A0A087YJ84_POEFO Loading...

Hedgehog protein

The dually lipidated hedgehog protein N-product is a morphogen which is essential for a variety of patterning events during development. The C-terminal part of the hedgehog protein precursor displays an autoproteolysis activity that results in the cleavage of the full-length protein into two parts (N-product and C-product). In addition, the C-terminal part displays a cholesterol transferase activity that results by the covalent attachment of a cholesterol moiety to the C-terminal of the newly generated N-product.

AlphaFold DB , UniProt , Accession A0A087YJ84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 413 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	L	34.7	Very low	46.4	Very low	207 Å²	207	136.7 Å²	136.7	100%	1.084	76%	0.76	S	S	*	*				0	118.3	0	-95.9	147.6	0	0	0	107.9
2	F	36.4	Very low	47.2	Very low	203 Å²	203	130.8 Å²	130.8	89%	0.89	74%	0.742	S	S	*	*			trans	56.4	128.6	175.6	-61.9	-82.6	0	0	0	117.2
3	G	37.8	Very low	47.7	Very low	68 Å²	68	127.5 Å²	127.5	70%	0.701	73%	0.73	S	S	*	*			cis	147.1	117.5	14.1	0	0	0	0	0	106.4	M5	G3-M5 PolarHBondContact O-N 3.34Å
4	G	49.8	Very low	48	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	73%	0.725	S	S	*	*			trans	-54	127.1	-175.6	0	0	0	0	0	113.7	R6	G4-R6 PolarHBondContact O-N 3.19Å
5	M	43.3	Very low	48.3	Very low	195 Å²	195	122.9 Å²	122.9	96%	0.961	71%	0.711	S	S	*	*			trans	-72.2	112.3	163.5	-90.4	169.9	52	0	0	108.6	G3	G3-M5 PolarHBondContact O-N 3.34Å
6	R	48.1	Very low	48.2	Very low	207 Å²	207	117.3 Å²	117.3	78%	0.781	69%	0.687	S	S	*	*			trans	-76.4	134.9	-173.3	-57.4	179.8	166.8	-178.2	-4.8	110.1	G4 P8 A9	G4-R6 PolarHBondContact O-N 3.19Å; R6-P8 HydrophobicContact CB-CG 4.08Å; R6-P8 WeakPolarHBondContact O-CD 3.21Å; R6-A9 PolarHBondContact O-N 3.22Å; R6-A9 VanDerWaalsContact O-N 3.15Å
7	L	50.1	Low	48.1	Very low	148 Å²	148	115.8 Å²	115.8	78%	0.775	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.9	-24.2	166.8	-146.5	76.3	0	0	0	117.2	A9	L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.82Å
8	P	51	Low	48.1	Very low	84 Å²	84	114.1 Å²	114.1	55%	0.545	68%	0.684	S	S	.	*	H	α-helix	trans	-67.1	-22.4	175.2	-19.1	32.9	0	0	0	114.6	R6 A12	R6-P8 HydrophobicContact CB-CG 4.08Å; R6-P8 WeakPolarHBondContact O-CD 3.21Å; P8-A12 PolarHBondContact O-N 3.02Å
9	A	52.7	Low	48	Very low	67 Å²	67	116 Å²	116	55%	0.554	69%	0.69	S	S	*	*	H	α-helix	trans	-72.7	-31.3	-177.9	0	0	0	0	0	112.8	R6 L7 C13	R6-A9 PolarHBondContact O-N 3.22Å; R6-A9 VanDerWaalsContact O-N 3.15Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.82Å; A9-C13 PolarHBondContact O-N 2.81Å; A9-C13 PolarHBondContact O-SG 2.59Å; A9-C13 VanDerWaalsContact O-SG 3.37Å
10	L	53.5	Low	48	Very low	132 Å²	132	117.5 Å²	117.5	69%	0.691	69%	0.694	S	S	*	*	H	α-helix	trans	-76.7	-34.8	178.7	-127.3	117.7	0	0	0	112	C13 L14	L10-C13 PolarHBondContact O-N 2.91Å; L10-L14 PolarHBondContact O-N 3.45Å
11	L	53.6	Low	47.8	Very low	120 Å²	120	119.1 Å²	119.1	63%	0.628	70%	0.698	S	S	*	*	H	α-helix	trans	-71.2	-33.8	175.6	-81.6	155.7	0	0	0	112.4	A15	L11-A15 PolarHBondContact O-N 2.83Å
12	A	56	Low	48.5	Very low	65 Å²	65	114.5 Å²	114.5	54%	0.537	68%	0.68	S	S	.	*	H	α-helix	trans	-68.5	-35.9	174.2	0	0	0	0	0	112.7	P8 G16	P8-A12 PolarHBondContact O-N 3.02Å; A12-G16 PolarHBondContact O-N 3.36Å
13	C	53.2	Low	49.3	Very low	88 Å²	88	110.9 Å²	110.9	60%	0.595	68%	0.678	S	S	*	*	H	α-helix	trans	-70	-35	177.3	-71.1	0	0	0	0	112.8	A9 L10 C17	A9-C13 PolarHBondContact O-N 2.81Å; A9-C13 PolarHBondContact O-SG 2.59Å; A9-C13 VanDerWaalsContact O-SG 3.37Å; L10-C13 PolarHBondContact O-N 2.91Å; C13-C17 PolarHBondContact O-N 3.42Å; C13-C17 PolarHBondContact O-SG 3.29Å
14	L	52.3	Low	49.8	Very low	125 Å²	125	113 Å²	113	65%	0.654	69%	0.688	S	S	*	*	H	α-helix	trans	-73.8	-33.3	176.3	-76.4	164.5	0	0	0	112.7	L10	L10-L14 PolarHBondContact O-N 3.45Å
15	A	52.1	Low	49.7	Very low	62 Å²	62	112.2 Å²	112.2	51%	0.512	68%	0.681	S	S	.	*	H	α-helix	trans	-72.7	-32.9	173.7	0	0	0	0	0	112.8	L11	L11-A15 PolarHBondContact O-N 2.83Å
16	G	47.4	Very low	50.1	Low	32 Å²	32	112.2 Å²	112.2	33%	0.33	68%	0.683	S	S	.	*	H	α-helix	trans	-71.3	-34.6	177.4	0	0	0	0	0	114.3	A12 A18 L19	A12-G16 PolarHBondContact O-N 3.36Å; G16-A18 VanDerWaalsContact C-N 3.29Å; G16-A18 PolarHBondContact O-N 3.1Å; G16-L19 PolarHBondContact O-N 3.27Å
17	C	45.9	Very low	49.9	Very low	92 Å²	92	106.4 Å²	106.4	62%	0.622	68%	0.68	S	S	*	*	H	α-helix	trans	-71.6	-20.9	-179.8	-68.6	0	0	0	0	113.6	C13 L19	C13-C17 PolarHBondContact O-N 3.42Å; C13-C17 PolarHBondContact O-SG 3.29Å; C17-L19 VanDerWaalsContact C-N 3.31Å
18	A	47.1	Very low	50.4	Low	85 Å²	85	105.7 Å²	105.7	70%	0.702	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-11.8	176	0	0	0	0	0	113.7	G16	G16-A18 VanDerWaalsContact C-N 3.29Å; G16-A18 PolarHBondContact O-N 3.1Å
19	L	47.3	Very low	50.5	Low	151 Å²	151	104.7 Å²	104.7	79%	0.791	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	1.3	-175.8	-76.8	163.8	0	0	0	114.3	G16 C17	G16-L19 PolarHBondContact O-N 3.27Å; C17-L19 VanDerWaalsContact C-N 3.31Å
20	L	48.3	Very low	50.9	Low	146 Å²	146	108 Å²	108	76%	0.764	71%	0.706	S	S	*	*	S	Bend	trans	-124.1	16.9	-173.1	-73.1	170.9	0	0	0	115.4	P22	L20-P22 VanDerWaalsContact O-CD 3.25Å; L20-P22 WeakPolarHBondContact O-CD 3.35Å
21	L	42.6	Very low	51	Low	152 Å²	152	104.8 Å²	104.8	80%	0.796	71%	0.705	S	S	*	*			trans	-100.7	101.2	169.4	-77.1	162.1	0	0	0	110
22	P	50.3	Low	51.1	Low	109 Å²	109	108.7 Å²	108.7	71%	0.708	72%	0.717	S	S	*	*			trans	-74	135.1	168.5	30.2	-30.4	0	0	0	109.1	L20 A24	L20-P22 VanDerWaalsContact O-CD 3.25Å; L20-P22 WeakPolarHBondContact O-CD 3.35Å; P22-A24 PolarHBondContact O-N 3.15Å; P22-A24 VanDerWaalsContact O-N 3.11Å
23	P	52.2	Low	50.7	Low	128 Å²	128	109.2 Å²	109.2	83%	0.831	73%	0.728	S	S	*	*			trans	-74.9	102.6	163.6	29	-27.8	0	0	0	107.9	G25	P23-G25 PolarHBondContact O-N 3.43Å
24	A	49.7	Very low	50.8	Low	111 Å²	111	114.4 Å²	114.4	92%	0.917	74%	0.743	S	S	*	*			trans	-67	90.3	158	0	0	0	0	0	107.8	P22	P22-A24 PolarHBondContact O-N 3.15Å; P22-A24 VanDerWaalsContact O-N 3.11Å
25	G	47.5	Very low	50.9	Low	58 Å²	58	111.7 Å²	111.7	60%	0.598	75%	0.745	S	S	*	*			trans	-132.1	108.1	171.3	0	0	0	0	0	109	P23 A27	P23-G25 PolarHBondContact O-N 3.43Å; G25-A27 PolarHBondContact O-N 1.99Å
26	L	51.7	Low	50.7	Low	195 Å²	195	120.6 Å²	120.6	100%	1.021	77%	0.766	S	S	*	*			trans	-62	87.1	160.6	-82.3	152.8	0	0	0	107.9
27	A	44.2	Very low	51	Low	85 Å²	85	130.4 Å²	130.4	70%	0.702	79%	0.793	S	S	*	*			trans	-119.4	127.1	173.4	0	0	0	0	0	108.2	G25 G29	G25-A27 PolarHBondContact O-N 1.99Å; A27-G29 PolarHBondContact O-N 3.45Å
28	C	59.1	Low	51.1	Low	133 Å²	133	137.8 Å²	137.8	90%	0.899	81%	0.807	S	S	*	*			trans	-50	132.6	175.3	-64.9	0	0	0	0	109.8
29	G	53.1	Low	51.3	Low	62 Å²	62	136.5 Å²	136.5	64%	0.639	80%	0.803	S	S	*	*			trans	-52.2	150.5	-179.6	0	0	0	0	0	112.2	A27 G31	A27-G29 PolarHBondContact O-N 3.45Å; G29-G31 PolarHBondContact O-N 2.87Å
30	P	62.3	Low	52	Low	138 Å²	138	135.4 Å²	135.4	90%	0.896	80%	0.804	S	S	*	*			trans	-58.6	111.3	-176.1	24.3	-32.5	0	0	0	109.1
31	G	56.1	Low	52.8	Low	64 Å²	64	138.7 Å²	138.7	66%	0.66	81%	0.807	S	S	*	*			trans	-56.4	162.3	174.1	0	0	0	0	0	111.2	G29 G33	G29-G31 PolarHBondContact O-N 2.87Å; G31-G33 PolarHBondContact O-N 2.81Å
32	K	54.6	Low	54.6	Low	202 Å²	202	140.5 Å²	140.5	88%	0.878	81%	0.808	S	S	*	*			trans	-43.5	106.7	-179.9	-81.7	178.7	175.3	173.1	0	110.9	H34	K32-H34 PolarHBondContact O-N 2.84Å; K32-H34 PolarHBondContact O-ND1 3.27Å
33	G	48.6	Very low	56.5	Low	75 Å²	75	138 Å²	138	77%	0.773	79%	0.789	S	S	*	*			trans	-61.9	121.9	178.5	0	0	0	0	0	109.9	G31 G35	G31-G33 PolarHBondContact O-N 2.81Å; G33-G35 PolarHBondContact O-N 3.36Å
34	H	54.9	Low	58.4	Low	198 Å²	198	135.9 Å²	135.9	92%	0.917	77%	0.773	S	S	*	*			trans	-77.2	72.1	170.3	-71.2	78	0	0	0	109	K32	K32-H34 PolarHBondContact O-N 2.84Å; K32-H34 PolarHBondContact O-ND1 3.27Å
35	G	53.1	Low	60.6	Low	67 Å²	67	133.3 Å²	133.3	69%	0.691	75%	0.747	S	S	*	*			trans	-104.8	109.4	171.2	0	0	0	0	0	109.7	G33 R37	G33-G35 PolarHBondContact O-N 3.36Å; G35-R37 PolarHBondContact O-N 2.85Å
36	R	49.7	Very low	63	Low	250 Å²	250	130.7 Å²	130.7	94%	0.943	72%	0.719	S	S	*	*			trans	-67.2	105.9	163.8	-85.9	-177.8	170.4	177	-1.8	107.6	R38	R36-R38 PolarHBondContact O-N 2.78Å; R36-R38 VanDerWaalsContact O-N 3.15Å
37	R	52.3	Low	65.1	Low	238 Å²	238	126.2 Å²	126.2	90%	0.898	70%	0.699	S	S	*	*			trans	-52.4	121.9	165.4	-169.1	175.7	-175.5	179.5	0.8	106.6	G35 G39	G35-R37 PolarHBondContact O-N 2.85Å; R37-G39 PolarHBondContact O-N 3.21Å
38	R	48.7	Very low	67.6	Low	247 Å²	247	124.8 Å²	124.8	93%	0.932	68%	0.68	S	S	*	*			trans	-57.3	113.5	170.5	-82.8	-177.2	176.4	176.2	-0.7	106.4	R36	R36-R38 PolarHBondContact O-N 2.78Å; R36-R38 VanDerWaalsContact O-N 3.15Å
39	G	50.8	Low	69.4	Low	58 Å²	58	124.7 Å²	124.7	60%	0.598	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-58	148.3	174.9	0	0	0	0	0	109.4	R37 R41	R37-G39 PolarHBondContact O-N 3.21Å; G39-R41 PolarHBondContact O-N 2.81Å
40	P	61.7	Low	71.5	Confident	128 Å²	128	125.6 Å²	125.6	83%	0.831	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.9	140.7	173.3	23.7	-32.2	0	0	0	109.4	K42	P40-K42 PolarHBondContact O-N 3.33Å
41	R	66.6	Low	73	Confident	215 Å²	215	122 Å²	122	81%	0.811	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-56.5	125.5	172.9	-84.6	-177.3	171.4	165.6	-1.3	108	G39 L43	G39-R41 PolarHBondContact O-N 2.81Å; R41-L43 PolarHBondContact O-N 3.11Å; R41-L43 VanDerWaalsContact O-N 3.14Å
42	K	79.6	Confident	74.8	Confident	190 Å²	190	120.3 Å²	120.3	83%	0.826	60%	0.6	S	S	*	*			trans	-68	111.8	179.7	-171.4	177	-178.5	-179.6	0	108.9	P40 V44	P40-K42 PolarHBondContact O-N 3.33Å; K42-V44 PolarHBondContact O-N 3.44Å
43	L	89.4	Confident	76.5	Confident	57 Å²	57	113 Å²	113	30%	0.298	57%	0.573	S	S	.	*			trans	-75	117.1	174.3	-62	179.8	0	0	0	109	R41 M164 R167 L168 E171	R41-L43 PolarHBondContact O-N 3.11Å; R41-L43 VanDerWaalsContact O-N 3.14Å; L43-M164 HydrophobicContact CB-CE 4.42Å; L43-M164 HydrophobicContact CB-SD 4.14Å; L43-M164 HydrophobicContact CD1-SD 4.48Å; L43-R167 HydrophobicContact CB-CG 3.91Å; L43-R167 HydrophobicContact CD2-CG 4.06Å; L43-R167 HydrophobicContact CG-CG 4.49Å; L43-L168 HydrophobicContact CD1-CD2 3.98Å; L43-E171 HydrophobicContact CD2-CG 3.62Å
44	V	93.6	Very high	78.7	Confident	83 Å²	83	115.9 Å²	115.9	50%	0.503	57%	0.571	S	S	.	*			trans	-103.4	113.7	177.1	-179.2	0	0	0	0	108.6	K42 R167	K42-V44 PolarHBondContact O-N 3.44Å; V44-R167 PolarHBondContact O-NE 2.9Å; V44-R167 PolarHBondContact O-NH2 2.92Å
45	P	95.8	Very high	80.3	Confident	56 Å²	56	109.3 Å²	109.3	36%	0.364	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-53.1	148.4	177.9	-25.4	34	0	0	0	112.4	A163 M164	P45-A163 WeakPolarHBondContact CA-O 3.37Å; P45-A163 HydrophobicContact CB-CB 3.77Å; P45-M164 HydrophobicContact CG-CE 3.81Å; P45-M164 HydrophobicContact CG-SD 4.48Å
46	L	96.3	Very high	82.1	Confident	3 Å²	3	109.2 Å²	109.2	2%	0.016	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-76.4	146.8	171.4	-87	67.7	0	0	0	110	Q50 A163 A166 R167 V170 V177	L46-Q50 HydrophobicContact CB-CB 4.43Å; L46-Q50 HydrophobicContact CG-CG 4.41Å; L46-A163 PolarHBondContact N-O 2.8Å; L46-A163 VanDerWaalsContact O-CB 3.26Å; L46-A163 WeakPolarHBondContact O-CB 3.45Å; L46-A166 HydrophobicContact CB-CB 3.97Å; L46-A166 HydrophobicContact CD1-CB 4.4Å; L46-A166 HydrophobicContact CD2-CB 4.05Å; L46-A166 HydrophobicContact CG-CB 4.35Å; L46-R167 HydrophobicContact CD1-CB 4.13Å; L46-V170 HydrophobicContact CD1-CG2 4.32Å; L46-V177 HydrophobicContact CD2-CG1 4.35Å
47	V	96.4	Very high	84.2	Confident	101 Å²	101	98.8 Å²	98.8	61%	0.612	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-80.6	150.4	171	-175.9	0	0	0	0	109.2	K49 Q50	V47-K49 PolarHBondContact O-N 2.83Å; V47-Q50 HydrophobicContact CB-CB 4.25Å; V47-Q50 WeakPolarHBondContact O-CB 3.21Å; V47-Q50 PolarHBondContact O-N 2.89Å
48	L	96.9	Very high	85.9	Confident	56 Å²	56	90.2 Å²	90.2	29%	0.293	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136	172.7	-175.5	66.5	0	0	0	110.2	Q50 Y179 R182	L48-Q50 PolarHBondContact O-N 3.29Å; L48-Y179 HydrophobicContact CB-CD1 4.36Å; L48-Y179 HydrophobicContact CB-CE1 4.35Å; L48-Y179 HydrophobicContact CD1-CD1 4.43Å; L48-Y179 HydrophobicContact CD1-CD2 3.98Å; L48-Y179 HydrophobicContact CD1-CE1 4.33Å; L48-Y179 HydrophobicContact CD1-CE2 3.91Å; L48-Y179 HydrophobicContact CD1-CG 4.25Å; L48-R182 HydrophobicContact CD1-CG 4.21Å; L48-R182 HydrophobicContact CD2-CG 3.99Å
49	K	96.9	Very high	87.3	Confident	131 Å²	131	81 Å²	81	57%	0.57	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	3.2	-171.4	-56.7	-59.3	-171	175.3	0	116	V47 Y179 E180	V47-K49 PolarHBondContact O-N 2.83Å; K49-Y179 WeakPolarHBondContact CA-O 3.32Å; K49-Y179 PolarHBondContact N-O 2.97Å; K49-E180 WeakPolarHBondContact CD-O 3.46Å; K49-E180 VanDerWaalsContact CE-O 3.24Å; K49-E180 WeakPolarHBondContact CE-O 3.17Å; K49-E180 PolarHBondContact NZ-O 2.97Å
50	Q	96.8	Very high	88.4	Confident	80 Å²	80	84.2 Å²	84.2	37%	0.374	44%	0.443	S	S	.	.			trans	-78.8	141.2	171.7	-170.8	178.9	7.8	0	0	110.6	L46 V47 L48 H178 Y179	L46-Q50 HydrophobicContact CB-CB 4.43Å; L46-Q50 HydrophobicContact CG-CG 4.41Å; V47-Q50 HydrophobicContact CB-CB 4.25Å; V47-Q50 WeakPolarHBondContact O-CB 3.21Å; V47-Q50 PolarHBondContact O-N 2.89Å; L48-Q50 PolarHBondContact O-N 3.29Å; Q50-H178 PolarHBondContact O-CD2 2.95Å; Q50-Y179 PolarHBondContact O-N 3.02Å
51	F	95.2	Very high	88.8	Confident	63 Å²	63	80.7 Å²	80.7	28%	0.276	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.1	169.9	48.7	-90.1	0	0	0	112.3	P53 N54 V55 W176 V177 H178	F51-P53 WeakPolarHBondContact CD2-O 3.42Å; F51-N54 VanDerWaalsContact CE2-OD1 3.22Å; F51-N54 WeakPolarHBondContact CE2-OD1 3.38Å; F51-V55 WeakPolarHBondContact CD2-O 3.45Å; F51-V55 WeakPolarHBondContact CE2-O 3.39Å; F51-W176 HydrophobicContact CB-CH2 4.21Å; F51-W176 HydrophobicContact CB-CZ2 3.42Å; F51-W176 VanDerWaalsContact CB-CZ2 3.42Å; F51-W176 HydrophobicContact CD1-CZ2 4.24Å; F51-W176 HydrophobicContact CD2-CZ2 4.05Å; F51-W176 AromaticContact CD2-NE1 3.77Å; F51-W176 AromaticContact CG-CZ2 3.64Å; F51-W176 HydrophobicContact CG-CZ2 3.64Å; F51-V177 CarbonylContact C-O 3.59Å; F51-V177 WeakPolarHBondContact CA-O 3.42Å; F51-V177 WeakPolarHBondContact CB-O 3.47Å; F51-H178 HydrophobicContact CB-CB 3.92Å
52	S	92.6	Very high	89.8	Confident	29 Å²	29	70.5 Å²	70.5	20%	0.203	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.1	-179	177.7	0	0	0	0	109.9	W176 V177	S52-W176 WeakPolarHBondContact O-CA 3Å; S52-V177 PolarHBondContact N-O 3.02Å; S52-V177 PolarHBondContact O-N 3.35Å
53	P	91	Very high	90.3	Very high	48 Å²	48	61.5 Å²	61.5	31%	0.312	35%	0.353	S	S	.	.	S	Bend	cis	-63.8	158.3	-5.3	26.6	-33.1	0	0	0	112.4	F51 V55 G61 A62 D175	F51-P53 WeakPolarHBondContact CD2-O 3.42Å; P53-V55 HydrophobicContact CB-CG2 4.15Å; P53-V55 HydrophobicContact CG-CG2 3.83Å; P53-V55 PolarHBondContact O-N 2.92Å; P53-G61 WeakPolarHBondContact CG-O 2.89Å; P53-A62 HydrophobicContact CG-CB 4.19Å; P53-D175 WeakPolarHBondContact CD-O 3.27Å
54	N	93.9	Very high	90.1	Very high	136 Å²	136	59.2 Å²	59.2	73%	0.727	34%	0.343	S	S	*	.	S	Bend	trans	-75.6	60	-178.8	-170.5	22.3	0	0	0	112.1	F51	F51-N54 VanDerWaalsContact CE2-OD1 3.22Å; F51-N54 WeakPolarHBondContact CE2-OD1 3.38Å
55	V	88.4	Confident	89.8	Confident	60 Å²	60	63.1 Å²	63.1	36%	0.364	35%	0.354	S	S	.	.	S	Bend	trans	-142.3	161.2	173.7	-65.6	0	0	0	0	107.8	F51 P53 T59 A62 W176	F51-V55 WeakPolarHBondContact CD2-O 3.45Å; F51-V55 WeakPolarHBondContact CE2-O 3.39Å; P53-V55 HydrophobicContact CB-CG2 4.15Å; P53-V55 HydrophobicContact CG-CG2 3.83Å; P53-V55 PolarHBondContact O-N 2.92Å; V55-T59 VanDerWaalsContact CG2-OG1 3.3Å; V55-T59 WeakPolarHBondContact CG2-OG1 3.49Å; V55-A62 HydrophobicContact CG2-CB 3.88Å; V55-W176 PolarHBondContact O-NE1 3.09Å
56	A	91.4	Very high	89.5	Confident	64 Å²	64	62.1 Å²	62.1	53%	0.529	35%	0.35	S	S	.	.			trans	-62.5	145.7	177.2	0	0	0	0	0	111.6	Q58 T59 A62	A56-Q58 VanDerWaalsContact C-N 3.27Å; A56-Q58 PolarHBondContact O-N 2.89Å; A56-T59 HydrophobicContact CB-CG2 3.96Å; A56-T59 WeakPolarHBondContact O-CB 3.41Å; A56-T59 VanDerWaalsContact O-CG2 3.32Å; A56-T59 WeakPolarHBondContact O-CG2 3.17Å; A56-T59 PolarHBondContact O-N 2.84Å; A56-T59 VanDerWaalsContact O-N 3.08Å; A56-T59 PolarHBondContact O-OG1 2.89Å; A56-A62 WeakPolarHBondContact O-CB 3.38Å
57	E	92.9	Very high	89	Confident	32 Å²	32	66 Å²	66	15%	0.15	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-45.8	-175.2	-177.7	-177.1	-156.3	0	0	112.8	T59 A62 S63 G64 L143 W176 H186 S188	E57-T59 PolarHBondContact O-N 3.24Å; E57-A62 VanDerWaalsContact O-CB 3.22Å; E57-A62 WeakPolarHBondContact O-CB 3.45Å; E57-S63 WeakPolarHBondContact O-CA 3.29Å; E57-S63 PolarHBondContact O-N 2.82Å; E57-G64 PolarHBondContact O-N 3.1Å; E57-G64 VanDerWaalsContact O-N 3.09Å; E57-L143 HydrophobicContact CG-CD1 4.1Å; E57-L143 WeakPolarHBondContact OE1-CD1 3.46Å; E57-W176 HydrophobicContact CB-CD2 3.68Å; E57-W176 HydrophobicContact CB-CE3 3.75Å; E57-W176 HydrophobicContact CB-CG 4.21Å; E57-W176 HydrophobicContact CB-CH2 4.07Å; E57-W176 HydrophobicContact CB-CZ2 4.03Å; E57-W176 HydrophobicContact CB-CZ3 3.93Å; E57-W176 HydrophobicContact CG-CB 4.4Å; E57-W176 HydrophobicContact CG-CD2 3.82Å; E57-W176 HydrophobicContact CG-CE3 3.61Å; E57-W176 HydrophobicContact CG-CG 4.19Å; E57-W176 HydrophobicContact CG-CZ3 4.07Å; E57-H186 IonicContact OE1-NE2 3.94Å; E57-H186 PolarHBondContact OE1-NE2 3.06Å; E57-H186 VanDerWaalsContact OE1-NE2 3.12Å; E57-S188 WeakPolarHBondContact OE1-CB 3.5Å; E57-S188 PolarHBondContact OE1-OG 3.38Å
58	Q	89.5	Confident	88.6	Confident	58 Å²	58	62.8 Å²	62.8	27%	0.271	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	11.8	-173.3	-62.5	-172.2	5.5	0	0	114.5	A56 G64 K65 S141	A56-Q58 VanDerWaalsContact C-N 3.27Å; A56-Q58 PolarHBondContact O-N 2.89Å; Q58-G64 WeakPolarHBondContact CA-O 3.27Å; Q58-G64 CarbonylContact O-C 3.58Å; Q58-K65 PolarHBondContact O-N 2.86Å; Q58-S141 PolarHBondContact NE2-O 2.87Å; Q58-S141 PolarHBondContact NE2-OG 2.98Å
59	T	77.4	Confident	88.4	Confident	52 Å²	52	65.2 Å²	65.2	32%	0.319	36%	0.363	S	S	.	.	S	Bend	trans	-81.7	156.5	173.5	65.7	0	0	0	0	111.4	V55 A56 E57 G61 A62 G64	V55-T59 VanDerWaalsContact CG2-OG1 3.3Å; V55-T59 WeakPolarHBondContact CG2-OG1 3.49Å; A56-T59 HydrophobicContact CB-CG2 3.96Å; A56-T59 WeakPolarHBondContact O-CB 3.41Å; A56-T59 VanDerWaalsContact O-CG2 3.32Å; A56-T59 WeakPolarHBondContact O-CG2 3.17Å; A56-T59 PolarHBondContact O-N 2.84Å; A56-T59 VanDerWaalsContact O-N 3.08Å; A56-T59 PolarHBondContact O-OG1 2.89Å; E57-T59 PolarHBondContact O-N 3.24Å; T59-G61 PolarHBondContact O-N 2.86Å; T59-G61 VanDerWaalsContact O-N 3.15Å; T59-A62 CarbonylContact O-C 3.52Å; T59-A62 PolarHBondContact O-N 3.04Å; T59-G64 WeakPolarHBondContact O-CA 3.39Å; T59-G64 PolarHBondContact O-N 3.35Å
60	L	72.9	Confident	88.2	Confident	126 Å²	126	59 Å²	59	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.5	176.4	-68	172	0	0	0	113.2	A62 K190 V324	L60-A62 VanDerWaalsContact C-N 3.27Å; L60-A62 PolarHBondContact O-N 2.96Å; L60-K190 PolarHBondContact O-NZ 2.81Å; L60-V324 HydrophobicContact CD1-CG2 3.9Å
61	G	71.4	Confident	88	Confident	55 Å²	55	58.1 Å²	58.1	57%	0.567	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12.7	176.1	0	0	0	0	0	114.5	P53 T59	P53-G61 WeakPolarHBondContact CG-O 2.89Å; T59-G61 PolarHBondContact O-N 2.86Å; T59-G61 VanDerWaalsContact O-N 3.15Å
62	A	87.3	Confident	87.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-132.5	-177	0	0	0	0	0	110.1	P53 V55 A56 E57 T59 L60 G64 W176 K190	P53-A62 HydrophobicContact CG-CB 4.19Å; V55-A62 HydrophobicContact CG2-CB 3.88Å; A56-A62 WeakPolarHBondContact O-CB 3.38Å; E57-A62 VanDerWaalsContact O-CB 3.22Å; E57-A62 WeakPolarHBondContact O-CB 3.45Å; T59-A62 CarbonylContact O-C 3.52Å; T59-A62 PolarHBondContact O-N 3.04Å; L60-A62 VanDerWaalsContact C-N 3.27Å; L60-A62 PolarHBondContact O-N 2.96Å; A62-G64 VanDerWaalsContact C-N 3.35Å; A62-W176 HydrophobicContact CB-CB 4.06Å; A62-W176 VanDerWaalsContact CB-CD1 3.48Å; A62-W176 HydrophobicContact CB-CG 4.02Å; A62-K190 WeakPolarHBondContact O-CE 2.95Å; A62-K190 WeakPolarHBondContact O-CG 3.48Å; A62-K190 PolarHBondContact O-NZ 2.7Å
63	S	89.2	Confident	87.4	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.007	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-17	-179.1	-61	0	0	0	0	113.3	E57 L143 R148 W176 S188 K190	E57-S63 WeakPolarHBondContact O-CA 3.29Å; E57-S63 PolarHBondContact O-N 2.82Å; S63-L143 VanDerWaalsContact CB-CD1 3.43Å; S63-R148 PolarHBondContact O-NH2 2.91Å; S63-W176 VanDerWaalsContact OG-CB 3.26Å; S63-W176 WeakPolarHBondContact OG-CB 3.26Å; S63-S188 WeakPolarHBondContact CB-OG 3.46Å; S63-S188 VanDerWaalsContact OG-C 3.26Å; S63-S188 PolarHBondContact OG-O 3.04Å; S63-S188 PolarHBondContact OG-OG 3.16Å; S63-K190 VanDerWaalsContact O-CA 3.27Å; S63-K190 WeakPolarHBondContact O-CA 3.5Å
64	G	85.9	Confident	87.3	Confident	9 Å²	9	61.8 Å²	61.8	9%	0.093	37%	0.37	C	S	.	.			trans	75.8	171.5	179.4	0	0	0	0	0	113	E57 Q58 T59 A62	E57-G64 PolarHBondContact O-N 3.1Å; E57-G64 VanDerWaalsContact O-N 3.09Å; Q58-G64 WeakPolarHBondContact CA-O 3.27Å; Q58-G64 CarbonylContact O-C 3.58Å; T59-G64 WeakPolarHBondContact O-CA 3.39Å; T59-G64 PolarHBondContact O-N 3.35Å; A62-G64 VanDerWaalsContact C-N 3.35Å
65	K	87.3	Confident	86.7	Confident	166 Å²	166	62 Å²	62	72%	0.722	37%	0.367	S	S	*	.			trans	-60.6	151.2	-170.3	-66.8	-173.4	176.1	-173.7	0	113	Q58 R148	Q58-K65 PolarHBondContact O-N 2.86Å; K65-R148 PolarHBondContact O-NH1 2.92Å
66	A	89.1	Confident	86.4	Confident	35 Å²	35	61.9 Å²	61.9	29%	0.289	36%	0.36	S	S	.	.			trans	-62.3	136.7	161.9	0	0	0	0	0	109.9	L143 E146	A66-L143 HydrophobicContact CB-CD2 4.09Å; A66-E146 VanDerWaalsContact C-OE1 3.29Å; A66-E146 WeakPolarHBondContact CA-OE1 3.47Å; A66-E146 VanDerWaalsContact CB-OE1 3.24Å; A66-E146 WeakPolarHBondContact CB-OE1 3.43Å
67	E	86.3	Confident	86.2	Confident	84 Å²	84	61.2 Å²	61.2	39%	0.393	35%	0.345	S	S	.	.			trans	-96.8	-13	176.4	-66.3	175.3	176.6	0	0	111.8	R76 E146 S191 H193	E67-R76 PolarHBondContact O-NH1 2.64Å; E67-R76 IonicContact OE2-NH2 3.18Å; E67-E146 VanDerWaalsContact N-CD 3.35Å; E67-E146 PolarHBondContact N-OE1 2.77Å; E67-E146 PolarHBondContact N-OE2 2.91Å; E67-S191 VanDerWaalsContact CD-CB 3.43Å; E67-S191 WeakPolarHBondContact OE1-CB 3.38Å; E67-S191 PolarHBondContact OE1-OG 2.83Å; E67-S191 WeakPolarHBondContact OE2-CB 3.18Å; E67-S191 PolarHBondContact OE2-OG 2.86Å; E67-H193 IonicContact OE2-CD2 3.54Å; E67-H193 PolarHBondContact OE2-CD2 2.79Å; E67-H193 IonicContact OE2-CG 3.77Å
68	G	87.5	Confident	85.7	Confident	33 Å²	33	66.9 Å²	66.9	34%	0.34	37%	0.369	S	S	.	.			trans	125	149	175.2	0	0	0	0	0	112.2	I70 R76 E146	G68-I70 PolarHBondContact O-N 2.86Å; G68-R76 PolarHBondContact O-NH1 2.92Å; G68-E146 PolarHBondContact N-OE1 2.8Å; G68-E146 VanDerWaalsContact O-CG 3.25Å; G68-E146 WeakPolarHBondContact O-CG 3.34Å
69	K	93.3	Very high	85.3	Confident	108 Å²	108	67.2 Å²	67.2	47%	0.47	37%	0.37	S	S	.	.			trans	-56.2	130.5	-178.6	177	166	-174.9	176	0	111.6	E134 Y145	K69-E134 PolarHBondContact NZ-O 3.49Å; K69-Y145 HydrophobicContact CB-CG 4.48Å; K69-Y145 HydrophobicContact CD-CD1 4.13Å; K69-Y145 HydrophobicContact CD-CG 4.2Å; K69-Y145 HydrophobicContact CG-CD1 4.49Å; K69-Y145 HydrophobicContact CG-CG 4.25Å
70	I	92.6	Very high	85.8	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	36%	0.359	C	S	.	.			trans	-91.2	126.7	171.5	-60.3	179.6	0	0	0	107.4	G68 R76 F77 L80 W132 Y145 E146	G68-I70 PolarHBondContact O-N 2.86Å; I70-R76 HydrophobicContact CD1-CB 4.15Å; I70-R76 HydrophobicContact CG1-CB 3.99Å; I70-R76 HydrophobicContact CG2-CB 4.37Å; I70-F77 HydrophobicContact CG2-CB 4.06Å; I70-F77 HydrophobicContact CG2-CD2 4.15Å; I70-L80 HydrophobicContact CD1-CD2 4.18Å; I70-L80 HydrophobicContact CD1-CG 4.36Å; I70-L80 HydrophobicContact CG2-CD1 4.13Å; I70-W132 VanDerWaalsContact O-CZ2 3.31Å; I70-W132 WeakPolarHBondContact O-CZ2 3.4Å; I70-W132 PolarHBondContact O-NE1 2.98Å; I70-Y145 PolarHBondContact N-O 3.31Å; I70-E146 HydrophobicContact CD1-CB 4.39Å
71	S	92.6	Very high	86.4	Confident	61 Å²	61	60.6 Å²	60.6	43%	0.427	34%	0.336	S	S	.	.			trans	-110	156.8	172.7	64.1	0	0	0	0	110.5	G73 S74	S71-G73 PolarHBondContact O-N 2.87Å; S71-G73 VanDerWaalsContact O-N 3.09Å; S71-S74 PolarHBondContact N-OG 3.01Å; S71-S74 WeakPolarHBondContact O-CB 3.36Å; S71-S74 PolarHBondContact O-N 2.64Å; S71-S74 PolarHBondContact O-OG 2.78Å
72	R	89.7	Confident	87.5	Confident	105 Å²	105	60.3 Å²	60.3	40%	0.396	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-36.2	-177.6	-68.6	-169.7	172.5	-100.1	-3.2	114.2	F77 T96 W132 E134	R72-F77 HydrophobicContact CG-CE2 4.22Å; R72-F77 HydrophobicContact CG-CZ 4.42Å; R72-F77 WeakPolarHBondContact O-CD1 3.47Å; R72-F77 WeakPolarHBondContact O-CG 3.48Å; R72-T96 PolarHBondContact NH2-O 2.83Å; R72-T96 PolarHBondContact NH2-OG1 2.87Å; R72-W132 HydrophobicContact CG-CH2 3.52Å; R72-W132 HydrophobicContact CG-CZ3 4.2Å; R72-E134 IonicContact CZ-OE1 3.27Å; R72-E134 VanDerWaalsContact CZ-OE1 3.27Å; R72-E134 IonicContact CZ-OE2 3.75Å; R72-E134 IonicContact NE-OE1 3.1Å; R72-E134 PolarHBondContact NE-OE1 3.32Å; R72-E134 VanDerWaalsContact NE-OE1 3.1Å; R72-E134 IonicContact NE-OE2 2.83Å; R72-E134 PolarHBondContact NE-OE2 3.1Å; R72-E134 IonicContact NH2-OE1 2.66Å; R72-E134 PolarHBondContact NH2-OE1 3.32Å; R72-E134 IonicContact NH2-OE2 3.82Å
73	G	86	Confident	87.7	Confident	79 Å²	79	60.4 Å²	60.4	81%	0.814	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.5	-179.9	0	0	0	0	0	115.1	S71	S71-G73 PolarHBondContact O-N 2.87Å; S71-G73 VanDerWaalsContact O-N 3.09Å
74	S	88.4	Confident	87.9	Confident	33 Å²	33	68.4 Å²	68.4	23%	0.231	36%	0.356	C	S	.	.	S	Bend	trans	-80.8	150.1	-177.6	69.8	0	0	0	0	112.1	S71 R76 F77	S71-S74 PolarHBondContact N-OG 3.01Å; S71-S74 WeakPolarHBondContact O-CB 3.36Å; S71-S74 PolarHBondContact O-N 2.64Å; S71-S74 PolarHBondContact O-OG 2.78Å; S74-R76 PolarHBondContact O-N 3.13Å; S74-F77 WeakPolarHBondContact O-CB 3.4Å; S74-F77 PolarHBondContact O-N 2.94Å; S74-F77 PolarHBondContact OG-N 2.84Å
75	E	82.4	Confident	87.9	Confident	140 Å²	140	69.3 Å²	69.3	65%	0.654	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-56.9	-35.1	174.4	-78	-62.1	133.4	0	0	112.4	F77 K78	E75-F77 PolarHBondContact O-N 3.39Å; E75-K78 WeakPolarHBondContact O-CB 3.45Å; E75-K78 PolarHBondContact O-N 2.93Å; E75-K78 IonicContact OE1-NZ 2.67Å; E75-K78 PolarHBondContact OE1-NZ 3.18Å; E75-K78 IonicContact OE2-NZ 2.58Å; E75-K78 PolarHBondContact OE2-NZ 3.05Å
76	R	81.4	Confident	88.2	Confident	58 Å²	58	66 Å²	66	22%	0.219	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-68.1	-15.2	177.4	-67.4	-176.2	61.5	-151.8	-3.5	113.6	E67 G68 I70 S74 K78 E79 E146	E67-R76 PolarHBondContact O-NH1 2.64Å; E67-R76 IonicContact OE2-NH2 3.18Å; G68-R76 PolarHBondContact O-NH1 2.92Å; I70-R76 HydrophobicContact CD1-CB 4.15Å; I70-R76 HydrophobicContact CG1-CB 3.99Å; I70-R76 HydrophobicContact CG2-CB 4.37Å; S74-R76 PolarHBondContact O-N 3.13Å; R76-K78 PolarHBondContact O-N 2.87Å; R76-E79 IonicContact NE-OE2 2.67Å; R76-E79 WeakPolarHBondContact O-CB 3.27Å; R76-E79 VanDerWaalsContact O-CG 3.27Å; R76-E79 WeakPolarHBondContact O-CG 3.43Å; R76-E79 PolarHBondContact O-N 2.86Å; R76-E79 VanDerWaalsContact O-N 3.07Å; R76-E146 IonicContact NH2-OE2 3.64Å
77	F	87.8	Confident	88.3	Confident	49 Å²	49	67.2 Å²	67.2	22%	0.215	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-62.3	-31.1	175.2	-172	-105.7	0	0	0	112.3	I70 R72 S74 E75 E79 L80 L101 W132	I70-F77 HydrophobicContact CG2-CB 4.06Å; I70-F77 HydrophobicContact CG2-CD2 4.15Å; R72-F77 HydrophobicContact CG-CE2 4.22Å; R72-F77 HydrophobicContact CG-CZ 4.42Å; R72-F77 WeakPolarHBondContact O-CD1 3.47Å; R72-F77 WeakPolarHBondContact O-CG 3.48Å; S74-F77 WeakPolarHBondContact O-CB 3.4Å; S74-F77 PolarHBondContact O-N 2.94Å; S74-F77 PolarHBondContact OG-N 2.84Å; E75-F77 PolarHBondContact O-N 3.39Å; F77-E79 PolarHBondContact O-N 2.83Å; F77-E79 VanDerWaalsContact O-N 3.1Å; F77-L80 HydrophobicContact CD2-CD1 4.18Å; F77-L80 HydrophobicContact CE2-CD1 4.37Å; F77-L80 PolarHBondContact O-N 2.86Å; F77-L101 HydrophobicContact CE2-CD1 3.7Å; F77-L101 HydrophobicContact CZ-CD1 3.58Å; F77-W132 HydrophobicContact CD2-CH2 4.06Å; F77-W132 HydrophobicContact CD2-CZ2 4.04Å; F77-W132 HydrophobicContact CE2-CE3 4.25Å; F77-W132 AromaticContact CE2-CH2 3.52Å; F77-W132 HydrophobicContact CE2-CH2 3.52Å; F77-W132 AromaticContact CE2-CZ2 3.93Å; F77-W132 HydrophobicContact CE2-CZ2 3.93Å; F77-W132 AromaticContact CE2-CZ3 3.69Å; F77-W132 HydrophobicContact CE2-CZ3 3.69Å; F77-W132 HydrophobicContact CZ-CZ3 4.49Å
78	K	81.3	Confident	88.9	Confident	151 Å²	151	63.6 Å²	63.6	66%	0.657	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-63.3	-14.6	176.3	-60.5	172.1	-172.2	163.1	0	113.1	E75 R76	E75-K78 WeakPolarHBondContact O-CB 3.45Å; E75-K78 PolarHBondContact O-N 2.93Å; E75-K78 IonicContact OE1-NZ 2.67Å; E75-K78 PolarHBondContact OE1-NZ 3.18Å; E75-K78 IonicContact OE2-NZ 2.58Å; E75-K78 PolarHBondContact OE2-NZ 3.05Å; R76-K78 PolarHBondContact O-N 2.87Å
79	E	80.9	Confident	89.4	Confident	65 Å²	65	64.5 Å²	64.5	30%	0.304	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-80.9	-21.2	177.7	-53.6	169.1	170.6	0	0	111.9	R76 F77 H193	R76-E79 IonicContact NE-OE2 2.67Å; R76-E79 WeakPolarHBondContact O-CB 3.27Å; R76-E79 VanDerWaalsContact O-CG 3.27Å; R76-E79 WeakPolarHBondContact O-CG 3.43Å; R76-E79 PolarHBondContact O-N 2.86Å; R76-E79 VanDerWaalsContact O-N 3.07Å; F77-E79 PolarHBondContact O-N 2.83Å; F77-E79 VanDerWaalsContact O-N 3.1Å; E79-H193 IonicContact OE1-CE1 3.92Å; E79-H193 PolarHBondContact OE1-CE1 3.06Å; E79-H193 IonicContact OE1-NE2 3.7Å; E79-H193 PolarHBondContact OE1-NE2 3.29Å; E79-H193 IonicContact OE2-CD2 2.77Å; E79-H193 IonicContact OE2-CE1 2.71Å; E79-H193 IonicContact OE2-NE2 2.76Å; E79-H193 PolarHBondContact OE2-NE2 2.87Å
80	L	89.3	Confident	89.6	Confident	14 Å²	14	60.2 Å²	60.2	7%	0.073	32%	0.317	C	S	.	.			trans	-82.4	131.5	176.7	-55.8	-176	0	0	0	109.4	I70 F77 L101 T103 W132 E146	I70-L80 HydrophobicContact CD1-CD2 4.18Å; I70-L80 HydrophobicContact CD1-CG 4.36Å; I70-L80 HydrophobicContact CG2-CD1 4.13Å; F77-L80 HydrophobicContact CD2-CD1 4.18Å; F77-L80 HydrophobicContact CE2-CD1 4.37Å; F77-L80 PolarHBondContact O-N 2.86Å; L80-L101 HydrophobicContact CB-CB 4.32Å; L80-L101 HydrophobicContact CD1-CB 4.31Å; L80-T103 HydrophobicContact CD2-CG2 4.05Å; L80-W132 HydrophobicContact CD1-CB 4.43Å; L80-W132 HydrophobicContact CD1-CD2 3.85Å; L80-W132 HydrophobicContact CD1-CG 3.75Å; L80-E146 WeakPolarHBondContact CD2-O 3.38Å
81	S	85.1	Confident	89.8	Confident	26 Å²	26	64.2 Å²	64.2	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	173.6	76.7	0	0	0	0	109.6	M102 K107	S81-M102 PolarHBondContact N-O 2.85Å; S81-M102 PolarHBondContact O-N 3.29Å; S81-M102 VanDerWaalsContact O-O 3.13Å; S81-K107 WeakPolarHBondContact OG-CD 3.48Å
82	P	93.6	Very high	89.9	Confident	48 Å²	48	63 Å²	63	31%	0.312	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.7	175	27.6	-33.6	0	0	0	110.8	Y84 R100 L101 K107	P82-Y84 HydrophobicContact CB-CD2 4.2Å; P82-Y84 HydrophobicContact CB-CE2 3.55Å; P82-Y84 HydrophobicContact CG-CD2 4.35Å; P82-Y84 HydrophobicContact CG-CE2 3.61Å; P82-R100 CarbonylContact C-O 3.56Å; P82-R100 WeakPolarHBondContact CA-O 3.15Å; P82-L101 HydrophobicContact CB-CD2 4.1Å; P82-K107 PolarHBondContact O-NZ 2.75Å
83	N	92.4	Very high	90	Very high	3 Å²	3	62 Å²	62	2%	0.016	32%	0.323	C	S	.	.			trans	-103.6	114.1	171.9	-165.9	-4.4	0	0	0	111	N85 F90 R100 M102 K107 N111	N83-N85 VanDerWaalsContact OD1-CB 3.28Å; N83-N85 WeakPolarHBondContact OD1-CB 3.45Å; N83-N85 PolarHBondContact OD1-N 2.7Å; N83-N85 VanDerWaalsContact OD1-N 3.09Å; N83-F90 HydrophobicContact CB-CZ 4.03Å; N83-F90 WeakPolarHBondContact O-CE2 3.32Å; N83-R100 PolarHBondContact N-O 2.91Å; N83-R100 PolarHBondContact O-NH1 3.22Å; N83-M102 HydrophobicContact CB-CE 3.78Å; N83-M102 HydrophobicContact CB-SD 3.92Å; N83-K107 HydrophobicContact CB-CD 4.37Å; N83-K107 HydrophobicContact CB-CG 4.27Å; N83-N111 PolarHBondContact ND2-OD1 3.24Å
84	Y	93.5	Very high	90.2	Very high	168 Å²	168	60.3 Å²	60.3	66%	0.659	29%	0.293	S	S	*	.			trans	-110.2	25	178.5	-64.8	-67.2	0	0	0	112.6	P82 P86	P82-Y84 HydrophobicContact CB-CD2 4.2Å; P82-Y84 HydrophobicContact CB-CE2 3.55Å; P82-Y84 HydrophobicContact CG-CD2 4.35Å; P82-Y84 HydrophobicContact CG-CE2 3.61Å; Y84-P86 WeakPolarHBondContact O-CD 3.25Å
85	N	86.7	Confident	90.4	Very high	28 Å²	28	65.4 Å²	65.4	15%	0.15	32%	0.318	C	S	.	.			trans	-58.4	119.9	176.7	-175.1	-14.4	0	0	0	110.5	N83 D87 I88 N111	N83-N85 VanDerWaalsContact OD1-CB 3.28Å; N83-N85 WeakPolarHBondContact OD1-CB 3.45Å; N83-N85 PolarHBondContact OD1-N 2.7Å; N83-N85 VanDerWaalsContact OD1-N 3.09Å; N85-D87 PolarHBondContact O-N 2.85Å; N85-D87 WeakPolarHBondContact OD1-CB 3.45Å; N85-D87 PolarHBondContact OD1-N 2.82Å; N85-I88 HydrophobicContact CB-CD1 3.92Å; N85-I88 HydrophobicContact CB-CG1 4.11Å; N85-I88 PolarHBondContact O-N 2.79Å; N85-N111 WeakPolarHBondContact CB-OD1 3.37Å; N85-N111 PolarHBondContact ND2-OD1 2.72Å
86	P	93	Very high	90.9	Very high	98 Å²	98	61.7 Å²	61.7	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.8	-178.3	29.2	-36.9	0	0	0	113.5	Y84 I88 R125	Y84-P86 WeakPolarHBondContact O-CD 3.25Å; P86-I88 VanDerWaalsContact C-N 3.27Å; P86-I88 PolarHBondContact O-N 2.73Å; P86-R125 PolarHBondContact O-NH1 3.29Å
87	D	91	Very high	91.5	Very high	59 Å²	59	59.8 Å²	59.8	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.8	179.4	-59	-32.8	0	0	0	113	N85 A114 M118 R125	N85-D87 PolarHBondContact O-N 2.85Å; N85-D87 WeakPolarHBondContact OD1-CB 3.45Å; N85-D87 PolarHBondContact OD1-N 2.82Å; D87-A114 HydrophobicContact CB-CB 4.5Å; D87-M118 HydrophobicContact CB-CE 3.67Å; D87-M118 HydrophobicContact CB-SD 3.75Å; D87-M118 WeakPolarHBondContact OD2-CE 3.45Å; D87-R125 WeakPolarHBondContact O-CB 3.45Å
88	I	98	Very high	91.9	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128	178.8	-54.9	176.3	0	0	0	109.5	N85 P86 F90 L110 A114 L126 V128	N85-I88 HydrophobicContact CB-CD1 3.92Å; N85-I88 HydrophobicContact CB-CG1 4.11Å; N85-I88 PolarHBondContact O-N 2.79Å; P86-I88 VanDerWaalsContact C-N 3.27Å; P86-I88 PolarHBondContact O-N 2.73Å; I88-F90 HydrophobicContact CB-CD2 4.47Å; I88-F90 HydrophobicContact CB-CE2 3.8Å; I88-F90 HydrophobicContact CB-CZ 4.22Å; I88-F90 HydrophobicContact CG2-CD2 4.07Å; I88-F90 HydrophobicContact CG2-CE1 4.26Å; I88-F90 HydrophobicContact CG2-CE2 3.56Å; I88-F90 HydrophobicContact CG2-CZ 3.67Å; I88-L110 HydrophobicContact CD1-CD2 3.85Å; I88-L110 HydrophobicContact CD1-CG 3.83Å; I88-A114 HydrophobicContact CD1-CB 4.04Å; I88-A114 HydrophobicContact CG1-CB 3.64Å; I88-L126 WeakPolarHBondContact CA-O 3.46Å; I88-L126 HydrophobicContact CD1-CD2 4.41Å; I88-L126 HydrophobicContact CG1-CD2 4.38Å; I88-V128 HydrophobicContact CG2-CG2 3.85Å
89	I	98.3	Very high	92.7	Very high	52 Å²	52	50.4 Å²	50.4	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.7	171.5	-55.4	-177.2	0	0	0	108.3	R125 L126 R127 V128 S155	I89-R125 HydrophobicContact CD1-CB 4.49Å; I89-R125 HydrophobicContact CG1-CB 4.4Å; I89-L126 PolarHBondContact N-O 3.45Å; I89-R127 HydrophobicContact CB-CB 4.17Å; I89-R127 HydrophobicContact CB-CG 4.11Å; I89-R127 HydrophobicContact CG2-CG 4.19Å; I89-R127 CarbonylContact O-C 3.5Å; I89-R127 WeakPolarHBondContact O-CA 3.46Å; I89-V128 PolarHBondContact O-N 3.42Å; I89-S155 VanDerWaalsContact CD1-CB 3.47Å
90	F	98.3	Very high	93.5	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.4	172.4	-67.4	-90.5	0	0	0	108.9	N83 I88 D99 R100 M102 L110 V128	N83-F90 HydrophobicContact CB-CZ 4.03Å; N83-F90 WeakPolarHBondContact O-CE2 3.32Å; I88-F90 HydrophobicContact CB-CD2 4.47Å; I88-F90 HydrophobicContact CB-CE2 3.8Å; I88-F90 HydrophobicContact CB-CZ 4.22Å; I88-F90 HydrophobicContact CG2-CD2 4.07Å; I88-F90 HydrophobicContact CG2-CE1 4.26Å; I88-F90 HydrophobicContact CG2-CE2 3.56Å; I88-F90 HydrophobicContact CG2-CZ 3.67Å; F90-D99 HydrophobicContact CD1-CB 4.13Å; F90-D99 WeakPolarHBondContact CD1-O 3.19Å; F90-D99 VanDerWaalsContact CE1-O 3.27Å; F90-D99 WeakPolarHBondContact CE1-O 3.41Å; F90-R100 HydrophobicContact CB-CG 4.33Å; F90-R100 HydrophobicContact CD1-CG 3.92Å; F90-R100 HydrophobicContact CD2-CG 4.17Å; F90-R100 VanDerWaalsContact CD2-NH1 3.29Å; F90-R100 HydrophobicContact CE1-CG 4.25Å; F90-R100 HydrophobicContact CE2-CG 4.48Å; F90-R100 HydrophobicContact CG-CG 3.86Å; F90-M102 HydrophobicContact CE1-CE 3.93Å; F90-M102 HydrophobicContact CZ-CE 4.24Å; F90-L110 HydrophobicContact CZ-CD2 4.42Å; F90-V128 HydrophobicContact CD1-CB 3.76Å; F90-V128 HydrophobicContact CD1-CG1 4.1Å; F90-V128 HydrophobicContact CD1-CG2 4.1Å; F90-V128 HydrophobicContact CE1-CB 3.98Å; F90-V128 HydrophobicContact CE1-CG1 4.29Å; F90-V128 HydrophobicContact CE1-CG2 3.8Å; F90-V128 HydrophobicContact CZ-CG2 4.45Å
91	K	97.1	Very high	93.9	Very high	86 Å²	86	50.7 Å²	50.7	37%	0.374	26%	0.262	S	S	.	.			trans	-74.6	-47	-179.6	-175	178.4	166.1	-141.7	0	110.1	E93 D99 R127 V128 T129	K91-E93 VanDerWaalsContact C-N 3.28Å; K91-E93 WeakPolarHBondContact CD-OE2 3.21Å; K91-E93 WeakPolarHBondContact CE-OE2 3.49Å; K91-E93 WeakPolarHBondContact CG-OE2 3.31Å; K91-E93 IonicContact NZ-OE1 3.4Å; K91-E93 PolarHBondContact NZ-OE1 3.25Å; K91-E93 IonicContact NZ-OE2 3.29Å; K91-E93 PolarHBondContact NZ-OE2 3.29Å; K91-E93 PolarHBondContact O-N 2.86Å; K91-D99 PolarHBondContact N-OD2 2.86Å; K91-R127 VanDerWaalsContact CD-NH2 3.28Å; K91-R127 VanDerWaalsContact CG-NH2 3.28Å; K91-V128 WeakPolarHBondContact CB-O 3.4Å; K91-V128 PolarHBondContact N-O 3.11Å; K91-T129 HydrophobicContact CD-CG2 4.11Å
92	D	93.9	Very high	94.5	Very high	34 Å²	34	49.5 Å²	49.5	18%	0.182	25%	0.254	C	S	.	.			trans	47	50.1	173.2	-166.5	18.8	0	0	0	111.9	E94 N95 T96 G97 D99	D92-E94 PolarHBondContact O-N 2.81Å; D92-N95 PolarHBondContact O-N 2.88Å; D92-N95 VanDerWaalsContact O-N 3.16Å; D92-N95 PolarHBondContact OD1-N 3.29Å; D92-T96 PolarHBondContact OD1-N 3.31Å; D92-G97 WeakPolarHBondContact OD1-CA 3.47Å; D92-G97 PolarHBondContact OD1-N 3.1Å; D92-D99 PolarHBondContact N-OD2 3.48Å
93	E	91.3	Very high	94.4	Very high	85 Å²	85	47.5 Å²	47.5	40%	0.397	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.5	-180	63.4	-126.5	-107.4	0	0	112.5	K91 N95	K91-E93 VanDerWaalsContact C-N 3.28Å; K91-E93 WeakPolarHBondContact CD-OE2 3.21Å; K91-E93 WeakPolarHBondContact CE-OE2 3.49Å; K91-E93 WeakPolarHBondContact CG-OE2 3.31Å; K91-E93 IonicContact NZ-OE1 3.4Å; K91-E93 PolarHBondContact NZ-OE1 3.25Å; K91-E93 IonicContact NZ-OE2 3.29Å; K91-E93 PolarHBondContact NZ-OE2 3.29Å; K91-E93 PolarHBondContact O-N 2.86Å; E93-N95 PolarHBondContact O-N 3.25Å; E93-N95 PolarHBondContact O-ND2 2.69Å
94	E	90.5	Very high	93.9	Very high	43 Å²	43	51.4 Å²	51.4	20%	0.201	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.2	176.3	-58.8	72.5	-151.6	0	0	111.5	D92 T96	D92-E94 PolarHBondContact O-N 2.81Å; E94-T96 HydrophobicContact CB-CG2 3.97Å; E94-T96 WeakPolarHBondContact O-CG2 3.45Å; E94-T96 PolarHBondContact O-N 3.26Å
95	N	93.2	Very high	93.5	Very high	141 Å²	141	44.1 Å²	44.1	75%	0.754	23%	0.23	S	C	*	.	S	Bend	trans	55.5	29.7	-171.6	-57.5	-82.2	0	0	0	113.4	D92 E93	D92-N95 PolarHBondContact O-N 2.88Å; D92-N95 VanDerWaalsContact O-N 3.16Å; D92-N95 PolarHBondContact OD1-N 3.29Å; E93-N95 PolarHBondContact O-N 3.25Å; E93-N95 PolarHBondContact O-ND2 2.69Å
96	T	92.9	Very high	93.9	Very high	62 Å²	62	42.8 Å²	42.8	38%	0.38	22%	0.223	S	C	.	.	S	Bend	trans	-110.8	-6.9	-179.3	66.8	0	0	0	0	112.7	R72 D92 E94 A98	R72-T96 PolarHBondContact NH2-O 2.83Å; R72-T96 PolarHBondContact NH2-OG1 2.87Å; D92-T96 PolarHBondContact OD1-N 3.31Å; E94-T96 HydrophobicContact CB-CG2 3.97Å; E94-T96 WeakPolarHBondContact O-CG2 3.45Å; E94-T96 PolarHBondContact O-N 3.26Å; T96-A98 PolarHBondContact O-N 2.99Å; T96-A98 VanDerWaalsContact OG1-CB 3.27Å; T96-A98 WeakPolarHBondContact OG1-CB 3.39Å; T96-A98 PolarHBondContact OG1-N 3.31Å
97	G	94.4	Very high	93.9	Very high	18 Å²	18	40.3 Å²	40.3	19%	0.186	20%	0.202	C	C	.	.	S	Bend	trans	70.4	11.3	-172.4	0	0	0	0	0	113.9	D92 D99 R100	D92-G97 WeakPolarHBondContact OD1-CA 3.47Å; D92-G97 PolarHBondContact OD1-N 3.1Å; G97-D99 VanDerWaalsContact C-N 3.3Å; G97-D99 PolarHBondContact O-N 3.24Å; G97-R100 WeakPolarHBondContact O-CB 3.3Å; G97-R100 PolarHBondContact O-N 2.67Å
98	A	95.8	Very high	93.3	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-59.3	-40.7	-176.4	0	0	0	0	0	112.3	T96 R100 L101 W132	T96-A98 PolarHBondContact O-N 2.99Å; T96-A98 VanDerWaalsContact OG1-CB 3.27Å; T96-A98 WeakPolarHBondContact OG1-CB 3.39Å; T96-A98 PolarHBondContact OG1-N 3.31Å; A98-R100 PolarHBondContact O-N 3.19Å; A98-L101 WeakPolarHBondContact O-CB 3.35Å; A98-L101 PolarHBondContact O-N 2.89Å; A98-W132 HydrophobicContact CB-CE3 3.97Å; A98-W132 HydrophobicContact CB-CZ3 4.27Å; A98-W132 WeakPolarHBondContact CB-O 3.2Å
99	D	97.5	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-51	-25.9	172.4	-101.7	0.5	0	0	0	114.9	F90 K91 D92 G97 E130 G131	F90-D99 HydrophobicContact CD1-CB 4.13Å; F90-D99 WeakPolarHBondContact CD1-O 3.19Å; F90-D99 VanDerWaalsContact CE1-O 3.27Å; F90-D99 WeakPolarHBondContact CE1-O 3.41Å; K91-D99 PolarHBondContact N-OD2 2.86Å; D92-D99 PolarHBondContact N-OD2 3.48Å; G97-D99 VanDerWaalsContact C-N 3.3Å; G97-D99 PolarHBondContact O-N 3.24Å; D99-E130 VanDerWaalsContact OD1-C 3.31Å; D99-E130 WeakPolarHBondContact OD1-CA 3.18Å; D99-G131 PolarHBondContact OD1-N 3.24Å
100	R	97.9	Very high	92.8	Very high	65 Å²	65	39.2 Å²	39.2	25%	0.245	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-88.1	-19.5	-179.2	-58.7	175.6	176.2	-81.8	-0.7	112.4	P82 N83 F90 G97 A98	P82-R100 CarbonylContact C-O 3.56Å; P82-R100 WeakPolarHBondContact CA-O 3.15Å; N83-R100 PolarHBondContact N-O 2.91Å; N83-R100 PolarHBondContact O-NH1 3.22Å; F90-R100 HydrophobicContact CB-CG 4.33Å; F90-R100 HydrophobicContact CD1-CG 3.92Å; F90-R100 HydrophobicContact CD2-CG 4.17Å; F90-R100 VanDerWaalsContact CD2-NH1 3.29Å; F90-R100 HydrophobicContact CE1-CG 4.25Å; F90-R100 HydrophobicContact CE2-CG 4.48Å; F90-R100 HydrophobicContact CG-CG 3.86Å; G97-R100 WeakPolarHBondContact O-CB 3.3Å; G97-R100 PolarHBondContact O-N 2.67Å; A98-R100 PolarHBondContact O-N 3.19Å
101	L	97.4	Very high	92	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.105	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122	-175.9	-66.5	172.7	0	0	0	109.8	F77 L80 P82 A98 W132	F77-L101 HydrophobicContact CE2-CD1 3.7Å; F77-L101 HydrophobicContact CZ-CD1 3.58Å; L80-L101 HydrophobicContact CB-CB 4.32Å; L80-L101 HydrophobicContact CD1-CB 4.31Å; P82-L101 HydrophobicContact CB-CD2 4.1Å; A98-L101 WeakPolarHBondContact O-CB 3.35Å; A98-L101 PolarHBondContact O-N 2.89Å; L101-W132 HydrophobicContact CB-CB 4.2Å; L101-W132 HydrophobicContact CB-CE3 4.09Å; L101-W132 HydrophobicContact CD1-CE3 3.57Å; L101-W132 HydrophobicContact CD1-CZ3 3.72Å; L101-W132 HydrophobicContact CG-CE3 4.45Å; L101-W132 WeakPolarHBondContact O-CB 3.39Å
102	M	96.9	Very high	91.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	158.4	-179.2	62.8	-168.2	68.9	0	0	111	S81 N83 F90 C106 K107 L110 G147	S81-M102 PolarHBondContact N-O 2.85Å; S81-M102 PolarHBondContact O-N 3.29Å; S81-M102 VanDerWaalsContact O-O 3.13Å; N83-M102 HydrophobicContact CB-CE 3.78Å; N83-M102 HydrophobicContact CB-SD 3.92Å; F90-M102 HydrophobicContact CE1-CE 3.93Å; F90-M102 HydrophobicContact CZ-CE 4.24Å; M102-C106 HydrophobicContact CB-CB 3.99Å; M102-C106 HydrophobicContact CG-CB 4.34Å; M102-K107 HydrophobicContact CG-CB 3.94Å; M102-K107 VanDerWaalsContact SD-CA 3.55Å; M102-K107 HydrophobicContact SD-CB 3.94Å; M102-L110 HydrophobicContact CE-CD2 3.63Å; M102-L110 HydrophobicContact SD-CB 4.47Å; M102-L110 HydrophobicContact SD-CD2 3.73Å; M102-G147 CarbonylContact C-O 3.46Å; M102-G147 WeakPolarHBondContact CA-O 3.2Å
103	T	92.6	Very high	91.1	Very high	6 Å²	6	37 Å²	37	4%	0.037	19%	0.193	C	C	.	.			trans	-57.9	155.3	169.7	51.1	0	0	0	0	111.2	L80 R105 C106 K107 G147 R148 D192	L80-T103 HydrophobicContact CD2-CG2 4.05Å; T103-R105 VanDerWaalsContact C-N 3.29Å; T103-R105 PolarHBondContact O-N 2.82Å; T103-C106 WeakPolarHBondContact O-CB 3.4Å; T103-C106 PolarHBondContact O-N 3.21Å; T103-C106 VanDerWaalsContact O-N 3.13Å; T103-C106 VanDerWaalsContact OG1-CB 3.24Å; T103-C106 WeakPolarHBondContact OG1-CB 3.15Å; T103-C106 PolarHBondContact OG1-N 3.46Å; T103-K107 PolarHBondContact O-N 2.91Å; T103-G147 PolarHBondContact N-O 3.42Å; T103-G147 PolarHBondContact OG1-O 3.27Å; T103-G147 VanDerWaalsContact OG1-O 3.05Å; T103-R148 HydrophobicContact CG2-CG 3.62Å; T103-D192 VanDerWaalsContact CB-OD2 3.32Å; T103-D192 WeakPolarHBondContact CB-OD2 3.32Å
104	Q	82.1	Confident	90.6	Very high	85 Å²	85	33 Å²	33	40%	0.397	17%	0.174	S	C	.	.	H	α-helix	trans	-62.2	-40.1	-178.2	-176.5	59.3	52	0	0	110.9	C106 K107 D108 D192	Q104-C106 PolarHBondContact O-N 2.8Å; Q104-K107 WeakPolarHBondContact O-CB 3.35Å; Q104-K107 PolarHBondContact O-N 2.73Å; Q104-D108 PolarHBondContact NE2-OD1 3.06Å; Q104-D108 VanDerWaalsContact O-CG 3.29Å; Q104-D108 PolarHBondContact O-N 3.49Å; Q104-D192 PolarHBondContact N-OD2 2.82Å
105	R	85.7	Confident	89.9	Confident	15 Å²	15	35.1 Å²	35.1	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-44.4	174.7	-177.1	176.4	-177.6	81.9	-1	112	T103 K107 D108 K109 D175 V189 K190 D192 P405	T103-R105 VanDerWaalsContact C-N 3.29Å; T103-R105 PolarHBondContact O-N 2.82Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 3.02Å; R105-D108 PolarHBondContact O-N 3.06Å; R105-K109 WeakPolarHBondContact O-CG 3.33Å; R105-K109 PolarHBondContact O-N 2.77Å; R105-K109 VanDerWaalsContact O-N 3.11Å; R105-D175 IonicContact CZ-OD1 3.95Å; R105-D175 IonicContact CZ-OD2 2.98Å; R105-D175 IonicContact NE-OD1 3.79Å; R105-D175 IonicContact NE-OD2 3.92Å; R105-D175 PolarHBondContact NE-OD2 3.12Å; R105-D175 VanDerWaalsContact NH2-CG 3.33Å; R105-D175 IonicContact NH2-OD1 3.14Å; R105-D175 PolarHBondContact NH2-OD1 3.49Å; R105-D175 IonicContact NH2-OD2 3.58Å; R105-D175 PolarHBondContact NH2-OD2 3.15Å; R105-D175 VanDerWaalsContact NH2-OD2 3.13Å; R105-V189 HydrophobicContact CB-CG2 4.4Å; R105-V189 HydrophobicContact CG-CB 4.04Å; R105-V189 HydrophobicContact CG-CG1 4.24Å; R105-V189 HydrophobicContact CG-CG2 4.33Å; R105-K190 WeakPolarHBondContact CD-O 3.46Å; R105-D192 WeakPolarHBondContact CB-OD1 3.35Å; R105-D192 PolarHBondContact N-OD1 3.49Å; R105-D192 VanDerWaalsContact N-OD1 3.13Å; R105-P405 PolarHBondContact NH1-O 2.88Å
106	C	95.1	Very high	89.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-44.6	177.9	-171.2	0	0	0	0	110.7	M102 T103 Q104 D108 K109 L110 V189	M102-C106 HydrophobicContact CB-CB 3.99Å; M102-C106 HydrophobicContact CG-CB 4.34Å; T103-C106 WeakPolarHBondContact O-CB 3.4Å; T103-C106 PolarHBondContact O-N 3.21Å; T103-C106 VanDerWaalsContact O-N 3.13Å; T103-C106 VanDerWaalsContact OG1-CB 3.24Å; T103-C106 WeakPolarHBondContact OG1-CB 3.15Å; T103-C106 PolarHBondContact OG1-N 3.46Å; Q104-C106 PolarHBondContact O-N 2.8Å; C106-D108 PolarHBondContact O-N 3.18Å; C106-K109 PolarHBondContact O-N 3.03Å; C106-L110 VanDerWaalsContact O-CB 3.23Å; C106-L110 WeakPolarHBondContact O-CB 3.3Å; C106-L110 PolarHBondContact O-N 3.23Å; C106-V189 HydrophobicContact CB-CG1 4.46Å; C106-V189 HydrophobicContact CB-CG2 3.69Å
107	K	91.3	Very high	89.3	Confident	46 Å²	46	27.2 Å²	27.2	20%	0.2	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-46.6	175.3	-176.7	169.2	176.2	172.4	0	112.8	S81 P82 N83 M102 T103 Q104 R105 K109 L110 N111	S81-K107 WeakPolarHBondContact OG-CD 3.48Å; P82-K107 PolarHBondContact O-NZ 2.75Å; N83-K107 HydrophobicContact CB-CD 4.37Å; N83-K107 HydrophobicContact CB-CG 4.27Å; M102-K107 HydrophobicContact CG-CB 3.94Å; M102-K107 VanDerWaalsContact SD-CA 3.55Å; M102-K107 HydrophobicContact SD-CB 3.94Å; T103-K107 PolarHBondContact O-N 2.91Å; Q104-K107 WeakPolarHBondContact O-CB 3.35Å; Q104-K107 PolarHBondContact O-N 2.73Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 3.02Å; K107-K109 PolarHBondContact O-N 3.28Å; K107-L110 PolarHBondContact O-N 3.2Å; K107-N111 WeakPolarHBondContact O-CB 3.39Å; K107-N111 PolarHBondContact O-N 2.85Å; K107-N111 PolarHBondContact O-ND2 3.15Å
108	D	79.6	Confident	89.1	Confident	63 Å²	63	28.8 Å²	28.8	34%	0.337	15%	0.147	S	C	.	.	H	α-helix	trans	-63	-43.6	179.4	-65.5	-14.8	0	0	0	112.2	Q104 R105 C106 S112	Q104-D108 PolarHBondContact NE2-OD1 3.06Å; Q104-D108 VanDerWaalsContact O-CG 3.29Å; Q104-D108 PolarHBondContact O-N 3.49Å; R105-D108 PolarHBondContact O-N 3.06Å; C106-D108 PolarHBondContact O-N 3.18Å; D108-S112 WeakPolarHBondContact O-CB 3.41Å; D108-S112 PolarHBondContact O-N 3.44Å; D108-S112 PolarHBondContact O-OG 3.14Å
109	K	89.4	Confident	88.5	Confident	32 Å²	32	34.8 Å²	34.8	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-40.9	178.7	-60.2	-44.4	178.5	-178.2	0	111.9	R105 C106 K107 S112 L113 A172 G173 F174 V189	R105-K109 WeakPolarHBondContact O-CG 3.33Å; R105-K109 PolarHBondContact O-N 2.77Å; R105-K109 VanDerWaalsContact O-N 3.11Å; C106-K109 PolarHBondContact O-N 3.03Å; K107-K109 PolarHBondContact O-N 3.28Å; K109-S112 PolarHBondContact O-N 3.41Å; K109-L113 WeakPolarHBondContact O-CB 3.42Å; K109-L113 PolarHBondContact O-N 3.08Å; K109-A172 WeakPolarHBondContact CD-O 3.31Å; K109-G173 WeakPolarHBondContact CD-O 3.24Å; K109-G173 WeakPolarHBondContact CE-O 3.34Å; K109-F174 HydrophobicContact CB-CD1 4.08Å; K109-F174 HydrophobicContact CB-CD2 3.95Å; K109-F174 HydrophobicContact CB-CE1 3.93Å; K109-F174 HydrophobicContact CB-CE2 3.78Å; K109-F174 HydrophobicContact CB-CG 4.11Å; K109-F174 HydrophobicContact CB-CZ 3.79Å; K109-V189 HydrophobicContact CB-CG1 4.4Å; K109-V189 HydrophobicContact CG-CG1 4Å
110	L	96.1	Very high	88.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-41.7	177.9	-165.6	73.9	0	0	0	111.7	I88 F90 M102 C106 K107 L113 A114 L126 V128 V150 V152 F174	I88-L110 HydrophobicContact CD1-CD2 3.85Å; I88-L110 HydrophobicContact CD1-CG 3.83Å; F90-L110 HydrophobicContact CZ-CD2 4.42Å; M102-L110 HydrophobicContact CE-CD2 3.63Å; M102-L110 HydrophobicContact SD-CB 4.47Å; M102-L110 HydrophobicContact SD-CD2 3.73Å; C106-L110 VanDerWaalsContact O-CB 3.23Å; C106-L110 WeakPolarHBondContact O-CB 3.3Å; C106-L110 PolarHBondContact O-N 3.23Å; K107-L110 PolarHBondContact O-N 3.2Å; L110-L113 WeakPolarHBondContact O-CB 3.36Å; L110-L113 PolarHBondContact O-N 3.2Å; L110-A114 PolarHBondContact O-N 2.94Å; L110-L126 HydrophobicContact CD1-CD2 3.66Å; L110-L126 HydrophobicContact CG-CD2 3.96Å; L110-V128 HydrophobicContact CD1-CG2 4.11Å; L110-V128 HydrophobicContact CD2-CG2 3.83Å; L110-V150 HydrophobicContact CD1-CG2 3.83Å; L110-V152 HydrophobicContact CD1-CG1 4.01Å; L110-F174 HydrophobicContact CB-CZ 4.2Å; L110-F174 HydrophobicContact CD1-CZ 4.05Å
111	N	80.9	Confident	88.3	Confident	39 Å²	39	37 Å²	37	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-40.2	175.1	-70.1	-19.2	0	0	0	112	N83 N85 K107 L113 A114 I115	N83-N111 PolarHBondContact ND2-OD1 3.24Å; N85-N111 WeakPolarHBondContact CB-OD1 3.37Å; N85-N111 PolarHBondContact ND2-OD1 2.72Å; K107-N111 WeakPolarHBondContact O-CB 3.39Å; K107-N111 PolarHBondContact O-N 2.85Å; K107-N111 PolarHBondContact O-ND2 3.15Å; N111-L113 VanDerWaalsContact C-N 3.31Å; N111-L113 PolarHBondContact O-N 3.34Å; N111-A114 WeakPolarHBondContact O-CB 3.26Å; N111-A114 PolarHBondContact O-N 2.83Å; N111-I115 WeakPolarHBondContact O-CG1 3.49Å; N111-I115 PolarHBondContact O-N 3.21Å
112	S	79.4	Confident	88.2	Confident	53 Å²	53	41.8 Å²	41.8	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-38.6	174.6	-57.6	0	0	0	0	112	D108 K109 S116	D108-S112 WeakPolarHBondContact O-CB 3.41Å; D108-S112 PolarHBondContact O-N 3.44Å; D108-S112 PolarHBondContact O-OG 3.14Å; K109-S112 PolarHBondContact O-N 3.41Å; S112-S116 PolarHBondContact O-N 2.94Å; S112-S116 VanDerWaalsContact O-N 3.14Å; S112-S116 PolarHBondContact O-OG 3.07Å
113	L	93.3	Very high	88	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-41.4	174.3	179.4	57.3	0	0	0	111.5	K109 L110 N111 I115 S116 V117 L126 V152 L165 L168 A169 A172 F174	K109-L113 WeakPolarHBondContact O-CB 3.42Å; K109-L113 PolarHBondContact O-N 3.08Å; L110-L113 WeakPolarHBondContact O-CB 3.36Å; L110-L113 PolarHBondContact O-N 3.2Å; N111-L113 VanDerWaalsContact C-N 3.31Å; N111-L113 PolarHBondContact O-N 3.34Å; L113-I115 VanDerWaalsContact C-N 3.32Å; L113-I115 PolarHBondContact O-N 3.2Å; L113-S116 CarbonylContact O-C 3.59Å; L113-S116 WeakPolarHBondContact O-CA 3.47Å; L113-S116 WeakPolarHBondContact O-CB 3.47Å; L113-S116 PolarHBondContact O-N 3.41Å; L113-V117 HydrophobicContact CD1-CG2 4.04Å; L113-V117 HydrophobicContact CG-CG2 4.26Å; L113-V117 WeakPolarHBondContact O-CG2 3.22Å; L113-V117 PolarHBondContact O-N 3.43Å; L113-L126 HydrophobicContact CB-CD2 4.19Å; L113-L126 HydrophobicContact CD2-CD1 3.88Å; L113-L126 HydrophobicContact CD2-CD2 4.05Å; L113-L126 HydrophobicContact CG-CD1 4.08Å; L113-L126 HydrophobicContact CG-CD2 3.96Å; L113-V152 HydrophobicContact CD2-CG2 4.42Å; L113-L165 HydrophobicContact CD1-CD1 4.29Å; L113-L168 HydrophobicContact CD1-CB 3.7Å; L113-A169 HydrophobicContact CD1-CB 4.24Å; L113-A169 HydrophobicContact CD2-CB 3.89Å; L113-A172 HydrophobicContact CB-CB 3.85Å; L113-A172 HydrophobicContact CD1-CB 4.36Å; L113-F174 HydrophobicContact CB-CE2 4.09Å; L113-F174 HydrophobicContact CD2-CE2 3.84Å
114	A	81.2	Confident	88.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-45.9	178.1	0	0	0	0	0	111.8	D87 I88 L110 N111 S116 V117 M118 L126	D87-A114 HydrophobicContact CB-CB 4.5Å; I88-A114 HydrophobicContact CD1-CB 4.04Å; I88-A114 HydrophobicContact CG1-CB 3.64Å; L110-A114 PolarHBondContact O-N 2.94Å; N111-A114 WeakPolarHBondContact O-CB 3.26Å; N111-A114 PolarHBondContact O-N 2.83Å; A114-S116 VanDerWaalsContact C-N 3.32Å; A114-S116 PolarHBondContact O-N 3.36Å; A114-V117 PolarHBondContact O-N 3.05Å; A114-M118 WeakPolarHBondContact O-CG 3.5Å; A114-M118 PolarHBondContact O-N 3.31Å; A114-M118 VanDerWaalsContact O-N 3.09Å; A114-L126 HydrophobicContact CB-CB 4.16Å; A114-L126 HydrophobicContact CB-CD2 4.11Å
115	I	74.8	Confident	89	Confident	89 Å²	89	47.1 Å²	47.1	46%	0.456	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-45.1	173.6	-63.4	165.7	0	0	0	110.7	N111 L113 V117 M118 N119	N111-I115 WeakPolarHBondContact O-CG1 3.49Å; N111-I115 PolarHBondContact O-N 3.21Å; L113-I115 VanDerWaalsContact C-N 3.32Å; L113-I115 PolarHBondContact O-N 3.2Å; I115-V117 VanDerWaalsContact C-N 3.34Å; I115-V117 PolarHBondContact O-N 3.11Å; I115-M118 PolarHBondContact O-N 2.7Å; I115-N119 WeakPolarHBondContact O-CB 3.19Å; I115-N119 VanDerWaalsContact O-CG 3.24Å; I115-N119 PolarHBondContact O-N 2.91Å; I115-N119 PolarHBondContact O-ND2 2.87Å
116	S	83.4	Confident	89.7	Confident	36 Å²	36	46.4 Å²	46.4	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-39	-179.8	-58.8	0	0	0	0	112.5	S112 L113 A114 H120	S112-S116 PolarHBondContact O-N 2.94Å; S112-S116 VanDerWaalsContact O-N 3.14Å; S112-S116 PolarHBondContact O-OG 3.07Å; L113-S116 CarbonylContact O-C 3.59Å; L113-S116 WeakPolarHBondContact O-CA 3.47Å; L113-S116 WeakPolarHBondContact O-CB 3.47Å; L113-S116 PolarHBondContact O-N 3.41Å; A114-S116 VanDerWaalsContact C-N 3.32Å; A114-S116 PolarHBondContact O-N 3.36Å; S116-H120 VanDerWaalsContact O-CB 3.26Å; S116-H120 WeakPolarHBondContact O-CB 3.19Å; S116-H120 PolarHBondContact O-N 3.08Å
117	V	91.4	Very high	89.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-48.9	177.2	168.4	0	0	0	0	111	L113 A114 I115 N119 H120 W121 V124 L126 L165 L168	L113-V117 HydrophobicContact CD1-CG2 4.04Å; L113-V117 HydrophobicContact CG-CG2 4.26Å; L113-V117 WeakPolarHBondContact O-CG2 3.22Å; L113-V117 PolarHBondContact O-N 3.43Å; A114-V117 PolarHBondContact O-N 3.05Å; I115-V117 VanDerWaalsContact C-N 3.34Å; I115-V117 PolarHBondContact O-N 3.11Å; V117-N119 VanDerWaalsContact C-N 3.31Å; V117-N119 PolarHBondContact O-N 2.74Å; V117-H120 PolarHBondContact O-N 3.2Å; V117-W121 HydrophobicContact CG1-CE3 4Å; V117-W121 HydrophobicContact CG1-CZ3 4.33Å; V117-W121 HydrophobicContact CG2-CZ3 4.34Å; V117-W121 PolarHBondContact O-N 3.02Å; V117-V124 HydrophobicContact CG1-CG1 4.34Å; V117-L126 HydrophobicContact CB-CB 4.49Å; V117-L126 HydrophobicContact CG2-CB 4.38Å; V117-L126 HydrophobicContact CG2-CD1 4.18Å; V117-L165 HydrophobicContact CG2-CD1 3.5Å; V117-L168 HydrophobicContact CG2-CD1 4.43Å
118	M	90.2	Very high	90.2	Very high	52 Å²	52	45.5 Å²	45.5	26%	0.256	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-36.9	179.4	-67.2	-172.5	-63.2	0	0	112.4	D87 A114 I115 W121 R125	D87-M118 HydrophobicContact CB-CE 3.67Å; D87-M118 HydrophobicContact CB-SD 3.75Å; D87-M118 WeakPolarHBondContact OD2-CE 3.45Å; A114-M118 WeakPolarHBondContact O-CG 3.5Å; A114-M118 PolarHBondContact O-N 3.31Å; A114-M118 VanDerWaalsContact O-N 3.09Å; I115-M118 PolarHBondContact O-N 2.7Å; M118-W121 CarbonylContact O-C 3.44Å; M118-R125 HydrophobicContact CG-CG 4.49Å; M118-R125 HydrophobicContact SD-CG 4.48Å
119	N	83.5	Confident	91	Very high	129 Å²	129	43.5 Å²	43.5	69%	0.69	25%	0.249	S	C	*	.	H	α-helix	trans	-69.8	-34.3	175.7	-73.5	-21.4	0	0	0	112.5	I115 V117	I115-N119 WeakPolarHBondContact O-CB 3.19Å; I115-N119 VanDerWaalsContact O-CG 3.24Å; I115-N119 PolarHBondContact O-N 2.91Å; I115-N119 PolarHBondContact O-ND2 2.87Å; V117-N119 VanDerWaalsContact C-N 3.31Å; V117-N119 PolarHBondContact O-N 2.74Å
120	H	93.1	Very high	91.4	Very high	73 Å²	73	43 Å²	43	34%	0.338	25%	0.247	S	C	.	.	H	α-helix	trans	-80	-35.9	-178.7	-160.7	96.1	0	0	0	112.2	S116 V117 L168	S116-H120 VanDerWaalsContact O-CB 3.26Å; S116-H120 WeakPolarHBondContact O-CB 3.19Å; S116-H120 PolarHBondContact O-N 3.08Å; V117-H120 PolarHBondContact O-N 3.2Å; H120-L168 HydrophobicContact CB-CD1 3.8Å
121	W	97.2	Very high	91.5	Very high	39 Å²	39	43 Å²	43	15%	0.148	25%	0.247	C	C	.	.	S	Bend	trans	-131	95.5	179.4	-61	-65.1	0	0	0	110.3	V117 M118 G123 V124 T154 K161 M164 L165 L168	V117-W121 HydrophobicContact CG1-CE3 4Å; V117-W121 HydrophobicContact CG1-CZ3 4.33Å; V117-W121 HydrophobicContact CG2-CZ3 4.34Å; V117-W121 PolarHBondContact O-N 3.02Å; M118-W121 CarbonylContact O-C 3.44Å; W121-G123 PolarHBondContact O-N 3.05Å; W121-V124 HydrophobicContact CB-CB 3.72Å; W121-V124 HydrophobicContact CB-CG1 4.45Å; W121-V124 HydrophobicContact CB-CG2 3.82Å; W121-V124 PolarHBondContact O-N 3.35Å; W121-T154 HydrophobicContact CE3-CG2 4.25Å; W121-T154 HydrophobicContact CZ3-CG2 3.97Å; W121-K161 HydrophobicContact CD2-CD 3.91Å; W121-K161 HydrophobicContact CE3-CD 4.48Å; W121-K161 HydrophobicContact CG-CD 4.14Å; W121-K161 HydrophobicContact CH2-CB 3.91Å; W121-K161 HydrophobicContact CZ2-CB 3.64Å; W121-K161 HydrophobicContact CZ2-CD 4.17Å; W121-K161 HydrophobicContact CZ2-CG 3.91Å; W121-M164 HydrophobicContact CH2-CB 3.99Å; W121-M164 HydrophobicContact CH2-CG 3.99Å; W121-M164 HydrophobicContact CZ2-CB 3.82Å; W121-M164 HydrophobicContact CZ2-CG 3.82Å; W121-L165 HydrophobicContact CH2-CB 4.24Å; W121-L168 HydrophobicContact CE3-CD1 4.44Å; W121-L168 HydrophobicContact CH2-CD1 3.93Å; W121-L168 HydrophobicContact CZ3-CD1 3.7Å
122	P	94.8	Very high	92.2	Very high	119 Å²	119	41.2 Å²	41.2	77%	0.773	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	128.7	176.7	-26.8	35.3	0	0	0	111.8	V124	P122-V124 VanDerWaalsContact C-N 3.31Å; P122-V124 PolarHBondContact O-N 3.33Å
123	G	93.6	Very high	92.9	Very high	85 Å²	85	38.8 Å²	38.8	88%	0.876	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	-4.1	-178.5	0	0	0	0	0	115.6	W121	W121-G123 PolarHBondContact O-N 3.05Å
124	V	97.9	Very high	92.7	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.091	23%	0.232	C	C	.	.			trans	-102.9	134.2	174.7	-179.2	0	0	0	0	109.7	V117 W121 P122 T154	V117-V124 HydrophobicContact CG1-CG1 4.34Å; W121-V124 HydrophobicContact CB-CB 3.72Å; W121-V124 HydrophobicContact CB-CG1 4.45Å; W121-V124 HydrophobicContact CB-CG2 3.82Å; W121-V124 PolarHBondContact O-N 3.35Å; P122-V124 VanDerWaalsContact C-N 3.31Å; P122-V124 PolarHBondContact O-N 3.33Å; V124-T154 HydrophobicContact CG1-CG2 4.07Å
125	R	98.2	Very high	93	Very high	105 Å²	105	46 Å²	46	40%	0.396	26%	0.257	S	S	.	.			trans	-106.6	160.3	176	-73.6	-171.5	-67.3	175.9	-1.6	111.4	P86 D87 I89 M118 S155	P86-R125 PolarHBondContact O-NH1 3.29Å; D87-R125 WeakPolarHBondContact O-CB 3.45Å; I89-R125 HydrophobicContact CD1-CB 4.49Å; I89-R125 HydrophobicContact CG1-CB 4.4Å; M118-R125 HydrophobicContact CG-CG 4.49Å; M118-R125 HydrophobicContact SD-CG 4.48Å; R125-S155 PolarHBondContact N-OG 3Å; R125-S155 WeakPolarHBondContact O-CB 3.24Å; R125-S155 PolarHBondContact O-N 3.4Å; R125-S155 PolarHBondContact O-OG 2.82Å
126	L	98.6	Very high	93.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	143	168.6	-179	65.7	0	0	0	109.3	I88 I89 L110 L113 A114 V117 V152 L165	I88-L126 WeakPolarHBondContact CA-O 3.46Å; I88-L126 HydrophobicContact CD1-CD2 4.41Å; I88-L126 HydrophobicContact CG1-CD2 4.38Å; I89-L126 PolarHBondContact N-O 3.45Å; L110-L126 HydrophobicContact CD1-CD2 3.66Å; L110-L126 HydrophobicContact CG-CD2 3.96Å; L113-L126 HydrophobicContact CB-CD2 4.19Å; L113-L126 HydrophobicContact CD2-CD1 3.88Å; L113-L126 HydrophobicContact CD2-CD2 4.05Å; L113-L126 HydrophobicContact CG-CD1 4.08Å; L113-L126 HydrophobicContact CG-CD2 3.96Å; A114-L126 HydrophobicContact CB-CB 4.16Å; A114-L126 HydrophobicContact CB-CD2 4.11Å; V117-L126 HydrophobicContact CB-CB 4.49Å; V117-L126 HydrophobicContact CG2-CB 4.38Å; V117-L126 HydrophobicContact CG2-CD1 4.18Å; L126-V152 HydrophobicContact CD1-CB 3.95Å; L126-V152 HydrophobicContact CD1-CG1 4.25Å; L126-V152 HydrophobicContact CD1-CG2 4.42Å; L126-L165 HydrophobicContact CD1-CD1 4Å
127	R	98.8	Very high	93.5	Very high	27 Å²	27	47.8 Å²	47.8	10%	0.102	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.3	177.4	177.9	175.7	176.7	-80.3	-8	111.4	I89 K91 V152 T153	I89-R127 HydrophobicContact CB-CB 4.17Å; I89-R127 HydrophobicContact CB-CG 4.11Å; I89-R127 HydrophobicContact CG2-CG 4.19Å; I89-R127 CarbonylContact O-C 3.5Å; I89-R127 WeakPolarHBondContact O-CA 3.46Å; K91-R127 VanDerWaalsContact CD-NH2 3.28Å; K91-R127 VanDerWaalsContact CG-NH2 3.28Å; R127-V152 CarbonylContact O-C 3.46Å; R127-V152 WeakPolarHBondContact O-CA 3.3Å; R127-T153 WeakPolarHBondContact CB-OG1 3.48Å; R127-T153 WeakPolarHBondContact CG-OG1 3.19Å; R127-T153 PolarHBondContact N-O 2.89Å; R127-T153 PolarHBondContact NH1-OG1 3.34Å; R127-T153 VanDerWaalsContact NH1-OG1 3.1Å; R127-T153 PolarHBondContact O-N 3.25Å; R127-T153 PolarHBondContact O-OG1 3Å
128	V	98.7	Very high	93.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.4	172.2	179	0	0	0	0	108.8	I88 I89 F90 K91 L110 E130 V150 D151 V152	I88-V128 HydrophobicContact CG2-CG2 3.85Å; I89-V128 PolarHBondContact O-N 3.42Å; F90-V128 HydrophobicContact CD1-CB 3.76Å; F90-V128 HydrophobicContact CD1-CG1 4.1Å; F90-V128 HydrophobicContact CD1-CG2 4.1Å; F90-V128 HydrophobicContact CE1-CB 3.98Å; F90-V128 HydrophobicContact CE1-CG1 4.29Å; F90-V128 HydrophobicContact CE1-CG2 3.8Å; F90-V128 HydrophobicContact CZ-CG2 4.45Å; K91-V128 WeakPolarHBondContact CB-O 3.4Å; K91-V128 PolarHBondContact N-O 3.11Å; L110-V128 HydrophobicContact CD1-CG2 4.11Å; L110-V128 HydrophobicContact CD2-CG2 3.83Å; V128-E130 WeakPolarHBondContact CG1-O 3.3Å; V128-V150 HydrophobicContact CG1-CG1 4.38Å; V128-D151 WeakPolarHBondContact CA-O 3.28Å; V128-V152 HydrophobicContact CG2-CG1 4.25Å
129	T	97.4	Very high	93.2	Very high	20 Å²	20	51.5 Å²	51.5	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-23.7	174.7	44.2	0	0	0	0	114.3	K91 D151 T153	K91-T129 HydrophobicContact CD-CG2 4.11Å; T129-D151 PolarHBondContact N-O 2.63Å; T129-D151 WeakPolarHBondContact OG1-CB 3.5Å; T129-D151 PolarHBondContact OG1-O 3.45Å; T129-D151 VanDerWaalsContact OG1-O 3.07Å; T129-T153 HydrophobicContact CG2-CG2 4.03Å
130	E	97.9	Very high	93.1	Very high	23 Å²	23	51.1 Å²	51.1	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	134.3	-179.8	-170.5	64.4	-121.3	0	0	107.4	D99 V128 H138 V150 D151	D99-E130 VanDerWaalsContact OD1-C 3.31Å; D99-E130 WeakPolarHBondContact OD1-CA 3.18Å; V128-E130 WeakPolarHBondContact CG1-O 3.3Å; E130-H138 WeakPolarHBondContact CG-NE2 3.38Å; E130-V150 CarbonylContact O-C 3.54Å; E130-V150 VanDerWaalsContact O-CA 3.27Å; E130-V150 WeakPolarHBondContact O-CA 3.47Å; E130-D151 HydrophobicContact CB-CB 3.89Å; E130-D151 PolarHBondContact O-N 2.87Å
131	G	96.3	Very high	92.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.303	C	S	.	.			trans	-126.1	-114	179.9	0	0	0	0	0	112	D99 H144	D99-G131 PolarHBondContact OD1-N 3.24Å; G131-H144 PolarHBondContact O-ND1 3.4Å
132	W	97.5	Very high	92.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-82	116.8	172.1	171.4	65.2	0	0	0	110.2	I70 R72 F77 L80 A98 L101 E134 H144 Y145	I70-W132 VanDerWaalsContact O-CZ2 3.31Å; I70-W132 WeakPolarHBondContact O-CZ2 3.4Å; I70-W132 PolarHBondContact O-NE1 2.98Å; R72-W132 HydrophobicContact CG-CH2 3.52Å; R72-W132 HydrophobicContact CG-CZ3 4.2Å; F77-W132 HydrophobicContact CD2-CH2 4.06Å; F77-W132 HydrophobicContact CD2-CZ2 4.04Å; F77-W132 HydrophobicContact CE2-CE3 4.25Å; F77-W132 AromaticContact CE2-CH2 3.52Å; F77-W132 HydrophobicContact CE2-CH2 3.52Å; F77-W132 AromaticContact CE2-CZ2 3.93Å; F77-W132 HydrophobicContact CE2-CZ2 3.93Å; F77-W132 AromaticContact CE2-CZ3 3.69Å; F77-W132 HydrophobicContact CE2-CZ3 3.69Å; F77-W132 HydrophobicContact CZ-CZ3 4.49Å; L80-W132 HydrophobicContact CD1-CB 4.43Å; L80-W132 HydrophobicContact CD1-CD2 3.85Å; L80-W132 HydrophobicContact CD1-CG 3.75Å; A98-W132 HydrophobicContact CB-CE3 3.97Å; A98-W132 HydrophobicContact CB-CZ3 4.27Å; A98-W132 WeakPolarHBondContact CB-O 3.2Å; L101-W132 HydrophobicContact CB-CB 4.2Å; L101-W132 HydrophobicContact CB-CE3 4.09Å; L101-W132 HydrophobicContact CD1-CE3 3.57Å; L101-W132 HydrophobicContact CD1-CZ3 3.72Å; L101-W132 HydrophobicContact CG-CE3 4.45Å; L101-W132 WeakPolarHBondContact O-CB 3.39Å; W132-E134 HydrophobicContact CH2-CB 3.97Å; W132-E134 HydrophobicContact CZ2-CB 4.32Å; W132-E134 HydrophobicContact CZ3-CB 4.32Å; W132-H144 WeakPolarHBondContact CA-O 3.36Å; W132-Y145 PolarHBondContact NE1-O 2.91Å
133	D	94	Very high	92.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	26%	0.262	C	S	.	.			trans	-93.9	126	-177.1	176.8	16	0	0	0	111.2	D135 G136 H137 H138 H144 Y145	D133-D135 WeakPolarHBondContact OD1-CA 3.42Å; D133-D135 PolarHBondContact OD1-N 2.92Å; D133-G136 PolarHBondContact OD1-N 3.24Å; D133-G136 PolarHBondContact OD2-N 3.36Å; D133-H137 IonicContact OD1-ND1 3.6Å; D133-H137 PolarHBondContact OD2-N 2.88Å; D133-H138 IonicContact OD2-CD2 3.65Å; D133-H138 PolarHBondContact OD2-CD2 2.76Å; D133-H138 IonicContact OD2-NE2 3.93Å; D133-H144 HydrophobicContact CB-CB 4.12Å; D133-H144 PolarHBondContact N-O 2.76Å; D133-Y145 HydrophobicContact CB-CD1 4.18Å; D133-Y145 HydrophobicContact CB-CE1 4.16Å; D133-Y145 WeakPolarHBondContact O-CD1 3.42Å; D133-Y145 WeakPolarHBondContact OD2-CE1 3.48Å
134	E	88.9	Confident	93	Very high	54 Å²	54	39.1 Å²	39.1	25%	0.252	22%	0.221	S	C	.	.	S	Bend	trans	-99.6	-22.2	173.2	62.2	-168.7	101.1	0	0	113.7	K69 R72 W132	K69-E134 PolarHBondContact NZ-O 3.49Å; R72-E134 IonicContact CZ-OE1 3.27Å; R72-E134 VanDerWaalsContact CZ-OE1 3.27Å; R72-E134 IonicContact CZ-OE2 3.75Å; R72-E134 IonicContact NE-OE1 3.1Å; R72-E134 PolarHBondContact NE-OE1 3.32Å; R72-E134 VanDerWaalsContact NE-OE1 3.1Å; R72-E134 IonicContact NE-OE2 2.83Å; R72-E134 PolarHBondContact NE-OE2 3.1Å; R72-E134 IonicContact NH2-OE1 2.66Å; R72-E134 PolarHBondContact NH2-OE1 3.32Å; R72-E134 IonicContact NH2-OE2 3.82Å; W132-E134 HydrophobicContact CH2-CB 3.97Å; W132-E134 HydrophobicContact CZ2-CB 4.32Å; W132-E134 HydrophobicContact CZ3-CB 4.32Å
135	D	85.9	Confident	92.9	Very high	98 Å²	98	39.1 Å²	39.1	52%	0.524	22%	0.22	S	C	.	.	S	Bend	trans	-89.4	-18.5	-166.2	-67.6	-32.6	0	0	0	113.9	D133 H137	D133-D135 WeakPolarHBondContact OD1-CA 3.42Å; D133-D135 PolarHBondContact OD1-N 2.92Å; D135-H137 WeakPolarHBondContact CB-CE1 3.26Å; D135-H137 IonicContact OD2-CE1 3.94Å
136	G	85.1	Confident	92.8	Very high	35 Å²	35	34.2 Å²	34.2	36%	0.361	20%	0.201	S	C	.	.			trans	92.9	29.2	172.6	0	0	0	0	0	114.4	D133 H138 Y145	D133-G136 PolarHBondContact OD1-N 3.24Å; D133-G136 PolarHBondContact OD2-N 3.36Å; G136-H138 PolarHBondContact O-N 3.22Å; G136-Y145 WeakPolarHBondContact CA-OH 3.48Å; G136-Y145 PolarHBondContact O-OH 2.89Å
137	H	83.4	Confident	92.7	Very high	127 Å²	127	34.2 Å²	34.2	59%	0.588	20%	0.201	S	C	*	.			trans	-75.1	-11.3	-177	-64.6	122.7	0	0	0	113.5	D133 D135	D133-H137 IonicContact OD1-ND1 3.6Å; D133-H137 PolarHBondContact OD2-N 2.88Å; D135-H137 WeakPolarHBondContact CB-CE1 3.26Å; D135-H137 IonicContact OD2-CE1 3.94Å
138	H	88.8	Confident	92.6	Very high	49 Å²	49	33.1 Å²	33.1	23%	0.227	20%	0.197	C	C	.	.	S	Bend	trans	-107.4	168	-177.9	-56.4	-78.9	0	0	0	114.3	E130 D133 G136 S142 H144 Y145	E130-H138 WeakPolarHBondContact CG-NE2 3.38Å; D133-H138 IonicContact OD2-CD2 3.65Å; D133-H138 PolarHBondContact OD2-CD2 2.76Å; D133-H138 IonicContact OD2-NE2 3.93Å; G136-H138 PolarHBondContact O-N 3.22Å; H138-S142 WeakPolarHBondContact CB-OG 3.32Å; H138-H144 VanDerWaalsContact CD2-CB 3.47Å; H138-H144 WeakPolarHBondContact CD2-CB 3.39Å; H138-H144 AromaticContact CD2-CG 3.73Å; H138-H144 AromaticContact CE1-CD2 3.53Å; H138-H144 AromaticContact CE1-CG 3.75Å; H138-H144 AromaticContact CE1-NE2 3.79Å; H138-H144 AromaticContact ND1-CD2 3.84Å; H138-H144 AromaticContact NE2-CD2 3.61Å; H138-H144 AromaticContact NE2-CG 3.34Å; H138-H144 VanDerWaalsContact NE2-CG 3.34Å; H138-H144 AromaticContact NE2-ND1 3.68Å; H138-Y145 VanDerWaalsContact C-OH 3.31Å; H138-Y145 HydrophobicContact CB-CE2 4.39Å; H138-Y145 PolarHBondContact N-OH 3.2Å; H138-Y145 VanDerWaalsContact N-OH 3.12Å; H138-Y145 PolarHBondContact O-OH 3.47Å
139	S	86.9	Confident	92.6	Very high	80 Å²	80	33.1 Å²	33.1	56%	0.559	20%	0.197	S	C	*	.			trans	-56.2	150.1	171.9	66.2	0	0	0	0	111.9	S141 S142 Y145	S139-S141 PolarHBondContact O-N 3.15Å; S139-S142 WeakPolarHBondContact O-CB 3.36Å; S139-S142 PolarHBondContact O-N 3.41Å; S139-Y145 VanDerWaalsContact O-CE2 3.22Å; S139-Y145 WeakPolarHBondContact O-CE2 3.35Å
140	S	83.1	Confident	92.6	Very high	122 Å²	122	32.2 Å²	32.2	85%	0.853	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-23.9	-172.3	56.3	0	0	0	0	116
141	S	85.3	Confident	92.7	Very high	52 Å²	52	31.6 Å²	31.6	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	11.1	177.5	61	0	0	0	0	114	Q58 S139	Q58-S141 PolarHBondContact NE2-O 2.87Å; Q58-S141 PolarHBondContact NE2-OG 2.98Å; S139-S141 PolarHBondContact O-N 3.15Å
142	S	95.3	Very high	92.8	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	19%	0.189	C	C	.	.			trans	-60.1	139.5	-175.7	-177.2	0	0	0	0	113.3	H138 S139 H144 Y145	H138-S142 WeakPolarHBondContact CB-OG 3.32Å; S139-S142 WeakPolarHBondContact O-CB 3.36Å; S139-S142 PolarHBondContact O-N 3.41Å; S142-H144 PolarHBondContact O-N 3.28Å; S142-H144 PolarHBondContact OG-CD2 3.01Å; S142-H144 PolarHBondContact OG-N 3Å; S142-Y145 PolarHBondContact O-N 3.36Å
143	L	96.8	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-76.5	-10.2	175.1	-63.6	-170.1	0	0	0	113.4	E57 S63 A66 Y145 E146 R148 A149	E57-L143 HydrophobicContact CG-CD1 4.1Å; E57-L143 WeakPolarHBondContact OE1-CD1 3.46Å; S63-L143 VanDerWaalsContact CB-CD1 3.43Å; A66-L143 HydrophobicContact CB-CD2 4.09Å; L143-Y145 VanDerWaalsContact C-N 3.25Å; L143-Y145 PolarHBondContact O-N 2.8Å; L143-E146 PolarHBondContact O-N 2.94Å; L143-R148 HydrophobicContact CB-CB 4.14Å; L143-R148 PolarHBondContact O-N 3.06Å; L143-R148 VanDerWaalsContact O-N 3.12Å; L143-A149 HydrophobicContact CB-CB 3.95Å; L143-A149 PolarHBondContact O-N 2.79Å
144	H	97.9	Very high	93.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-60.4	-37.4	169.4	-75.6	-87.2	0	0	0	111.2	G131 W132 D133 H138 S142 E146 G147 D151 H186	G131-H144 PolarHBondContact O-ND1 3.4Å; W132-H144 WeakPolarHBondContact CA-O 3.36Å; D133-H144 HydrophobicContact CB-CB 4.12Å; D133-H144 PolarHBondContact N-O 2.76Å; H138-H144 VanDerWaalsContact CD2-CB 3.47Å; H138-H144 WeakPolarHBondContact CD2-CB 3.39Å; H138-H144 AromaticContact CD2-CG 3.73Å; H138-H144 AromaticContact CE1-CD2 3.53Å; H138-H144 AromaticContact CE1-CG 3.75Å; H138-H144 AromaticContact CE1-NE2 3.79Å; H138-H144 AromaticContact ND1-CD2 3.84Å; H138-H144 AromaticContact NE2-CD2 3.61Å; H138-H144 AromaticContact NE2-CG 3.34Å; H138-H144 VanDerWaalsContact NE2-CG 3.34Å; H138-H144 AromaticContact NE2-ND1 3.68Å; S142-H144 PolarHBondContact O-N 3.28Å; S142-H144 PolarHBondContact OG-CD2 3.01Å; S142-H144 PolarHBondContact OG-N 3Å; H144-E146 PolarHBondContact O-N 3.49Å; H144-G147 PolarHBondContact O-N 3.22Å; H144-G147 VanDerWaalsContact O-N 3.09Å; H144-D151 IonicContact CE1-OD1 2.96Å; H144-D151 IonicContact CE1-OD2 3.77Å; H144-D151 IonicContact NE2-OD1 2.69Å; H144-D151 IonicContact NE2-OD2 3.33Å; H144-H186 AromaticContact CD2-CE1 3.71Å; H144-H186 AromaticContact NE2-CE1 3.2Å; H144-H186 PolarHBondContact NE2-CE1 3.23Å; H144-H186 AromaticContact NE2-ND1 3.26Å; H144-H186 PolarHBondContact NE2-ND1 3.19Å
145	Y	96.7	Very high	93.5	Very high	16 Å²	16	30.6 Å²	30.6	6%	0.063	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63.7	-9.4	177.1	-62.8	-39.1	0	0	0	115	K69 I70 W132 D133 G136 H138 S139 S142 L143	K69-Y145 HydrophobicContact CB-CG 4.48Å; K69-Y145 HydrophobicContact CD-CD1 4.13Å; K69-Y145 HydrophobicContact CD-CG 4.2Å; K69-Y145 HydrophobicContact CG-CD1 4.49Å; K69-Y145 HydrophobicContact CG-CG 4.25Å; I70-Y145 PolarHBondContact N-O 3.31Å; W132-Y145 PolarHBondContact NE1-O 2.91Å; D133-Y145 HydrophobicContact CB-CD1 4.18Å; D133-Y145 HydrophobicContact CB-CE1 4.16Å; D133-Y145 WeakPolarHBondContact O-CD1 3.42Å; D133-Y145 WeakPolarHBondContact OD2-CE1 3.48Å; G136-Y145 WeakPolarHBondContact CA-OH 3.48Å; G136-Y145 PolarHBondContact O-OH 2.89Å; H138-Y145 VanDerWaalsContact C-OH 3.31Å; H138-Y145 HydrophobicContact CB-CE2 4.39Å; H138-Y145 PolarHBondContact N-OH 3.2Å; H138-Y145 VanDerWaalsContact N-OH 3.12Å; H138-Y145 PolarHBondContact O-OH 3.47Å; S139-Y145 VanDerWaalsContact O-CE2 3.22Å; S139-Y145 WeakPolarHBondContact O-CE2 3.35Å; S142-Y145 PolarHBondContact O-N 3.36Å; L143-Y145 VanDerWaalsContact C-N 3.25Å; L143-Y145 PolarHBondContact O-N 2.8Å
146	E	95.1	Very high	94.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-116.8	5.5	-179.3	-67	177.3	-153	0	0	112.7	A66 E67 G68 I70 R76 L80 L143 H144 R148	A66-E146 VanDerWaalsContact C-OE1 3.29Å; A66-E146 WeakPolarHBondContact CA-OE1 3.47Å; A66-E146 VanDerWaalsContact CB-OE1 3.24Å; A66-E146 WeakPolarHBondContact CB-OE1 3.43Å; E67-E146 VanDerWaalsContact N-CD 3.35Å; E67-E146 PolarHBondContact N-OE1 2.77Å; E67-E146 PolarHBondContact N-OE2 2.91Å; G68-E146 PolarHBondContact N-OE1 2.8Å; G68-E146 VanDerWaalsContact O-CG 3.25Å; G68-E146 WeakPolarHBondContact O-CG 3.34Å; I70-E146 HydrophobicContact CD1-CB 4.39Å; R76-E146 IonicContact NH2-OE2 3.64Å; L80-E146 WeakPolarHBondContact CD2-O 3.38Å; L143-E146 PolarHBondContact O-N 2.94Å; H144-E146 PolarHBondContact O-N 3.49Å; E146-R148 HydrophobicContact CB-CB 4.33Å; E146-R148 HydrophobicContact CB-CG 4.02Å; E146-R148 PolarHBondContact O-N 2.81Å; E146-R148 WeakPolarHBondContact OE2-CD 3.46Å; E146-R148 IonicContact OE2-CZ 3.17Å; E146-R148 IonicContact OE2-NE 2.8Å; E146-R148 IonicContact OE2-NH1 3.13Å; E146-R148 PolarHBondContact OE2-NH1 2.77Å
147	G	96.7	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	29.5	-174.7	0	0	0	0	0	112.3	M102 T103 H144	M102-G147 CarbonylContact C-O 3.46Å; M102-G147 WeakPolarHBondContact CA-O 3.2Å; T103-G147 PolarHBondContact N-O 3.42Å; T103-G147 PolarHBondContact OG1-O 3.27Å; T103-G147 VanDerWaalsContact OG1-O 3.05Å; H144-G147 PolarHBondContact O-N 3.22Å; H144-G147 VanDerWaalsContact O-N 3.09Å
148	R	97	Very high	95.4	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.011	18%	0.177	C	C	.	.			trans	-110.5	-1.6	-177.8	-74	171.7	56.6	-162.3	-4.3	112.8	S63 K65 T103 L143 E146 S188 V189 S191	S63-R148 PolarHBondContact O-NH2 2.91Å; K65-R148 PolarHBondContact O-NH1 2.92Å; T103-R148 HydrophobicContact CG2-CG 3.62Å; L143-R148 HydrophobicContact CB-CB 4.14Å; L143-R148 PolarHBondContact O-N 3.06Å; L143-R148 VanDerWaalsContact O-N 3.12Å; E146-R148 HydrophobicContact CB-CB 4.33Å; E146-R148 HydrophobicContact CB-CG 4.02Å; E146-R148 PolarHBondContact O-N 2.81Å; E146-R148 WeakPolarHBondContact OE2-CD 3.46Å; E146-R148 IonicContact OE2-CZ 3.17Å; E146-R148 IonicContact OE2-NE 2.8Å; E146-R148 IonicContact OE2-NH1 3.13Å; E146-R148 PolarHBondContact OE2-NH1 2.77Å; R148-S188 CarbonylContact O-C 3.56Å; R148-S188 VanDerWaalsContact O-CA 3.22Å; R148-S188 WeakPolarHBondContact O-CA 3.32Å; R148-S188 WeakPolarHBondContact O-CB 3.27Å; R148-V189 HydrophobicContact CB-CG2 4.21Å; R148-V189 HydrophobicContact CG-CG2 4.44Å; R148-V189 PolarHBondContact NE-O 3.1Å; R148-V189 VanDerWaalsContact NE-O 3.15Å; R148-V189 PolarHBondContact NH2-O 3.48Å; R148-V189 WeakPolarHBondContact O-CG2 3.41Å; R148-V189 PolarHBondContact O-N 3.47Å; R148-S191 VanDerWaalsContact CZ-N 3.33Å; R148-S191 VanDerWaalsContact NE-N 3.18Å
149	A	98.3	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.1	175.2	0	0	0	0	0	110.6	L143 C187	L143-A149 HydrophobicContact CB-CB 3.95Å; L143-A149 PolarHBondContact O-N 2.79Å; A149-C187 CarbonylContact C-O 3.59Å; A149-C187 VanDerWaalsContact CA-O 3.27Å; A149-C187 WeakPolarHBondContact CA-O 3.48Å
150	V	98.6	Very high	96.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.5	173.8	-73.7	0	0	0	0	109.4	L110 V128 E130 V152 F174 C187	L110-V150 HydrophobicContact CD1-CG2 3.83Å; V128-V150 HydrophobicContact CG1-CG1 4.38Å; E130-V150 CarbonylContact O-C 3.54Å; E130-V150 VanDerWaalsContact O-CA 3.27Å; E130-V150 WeakPolarHBondContact O-CA 3.47Å; V150-V152 HydrophobicContact CB-CG1 4.19Å; V150-V152 HydrophobicContact CG2-CG1 3.92Å; V150-F174 HydrophobicContact CG2-CE1 3.99Å; V150-F174 HydrophobicContact CG2-CZ 4.14Å; V150-C187 HydrophobicContact CG2-CB 4.03Å; V150-C187 PolarHBondContact N-O 2.93Å; V150-C187 PolarHBondContact O-N 3.41Å
151	D	98.6	Very high	96.9	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	166.3	-69.4	-22.7	0	0	0	109.1	V128 T129 E130 H144 H184 V185 H186	V128-D151 WeakPolarHBondContact CA-O 3.28Å; T129-D151 PolarHBondContact N-O 2.63Å; T129-D151 WeakPolarHBondContact OG1-CB 3.5Å; T129-D151 PolarHBondContact OG1-O 3.45Å; T129-D151 VanDerWaalsContact OG1-O 3.07Å; E130-D151 HydrophobicContact CB-CB 3.89Å; E130-D151 PolarHBondContact O-N 2.87Å; H144-D151 IonicContact CE1-OD1 2.96Å; H144-D151 IonicContact CE1-OD2 3.77Å; H144-D151 IonicContact NE2-OD1 2.69Å; H144-D151 IonicContact NE2-OD2 3.33Å; D151-H184 HydrophobicContact CB-CB 4.15Å; D151-H184 VanDerWaalsContact CB-CD2 3.43Å; D151-H184 WeakPolarHBondContact CB-CD2 3.39Å; D151-H184 VanDerWaalsContact CG-NE2 3.3Å; D151-H184 IonicContact OD1-CD2 2.76Å; D151-H184 PolarHBondContact OD1-CD2 3.02Å; D151-H184 VanDerWaalsContact OD1-CD2 3.29Å; D151-H184 IonicContact OD1-NE2 3.71Å; D151-H184 PolarHBondContact OD1-NE2 3.27Å; D151-H184 IonicContact OD2-CD2 2.75Å; D151-H184 PolarHBondContact OD2-CD2 3.34Å; D151-H184 IonicContact OD2-CE1 3.12Å; D151-H184 IonicContact OD2-NE2 3.54Å; D151-H184 PolarHBondContact OD2-NE2 3.5Å; D151-H184 VanDerWaalsContact OD2-NE2 3.1Å; D151-V185 WeakPolarHBondContact CA-O 3.41Å; D151-H186 WeakPolarHBondContact OD1-CA 3.4Å; D151-H186 WeakPolarHBondContact OD1-CB 3.42Å; D151-H186 IonicContact OD1-CG 2.74Å; D151-H186 IonicContact OD1-ND1 3.82Å; D151-H186 PolarHBondContact OD1-ND1 2.99Å
152	V	98.7	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.5	-170.4	-60.3	0	0	0	0	113.5	L110 L113 L126 R127 V128 V150 L165 V185	L110-V152 HydrophobicContact CD1-CG1 4.01Å; L113-V152 HydrophobicContact CD2-CG2 4.42Å; L126-V152 HydrophobicContact CD1-CB 3.95Å; L126-V152 HydrophobicContact CD1-CG1 4.25Å; L126-V152 HydrophobicContact CD1-CG2 4.42Å; R127-V152 CarbonylContact O-C 3.46Å; R127-V152 WeakPolarHBondContact O-CA 3.3Å; V128-V152 HydrophobicContact CG2-CG1 4.25Å; V150-V152 HydrophobicContact CB-CG1 4.19Å; V150-V152 HydrophobicContact CG2-CG1 3.92Å; V152-L165 HydrophobicContact CG2-CD2 4.13Å; V152-L165 HydrophobicContact CG2-CG 4.44Å; V152-V185 HydrophobicContact CG2-CB 4.07Å; V152-V185 WeakPolarHBondContact CG2-O 3.4Å; V152-V185 PolarHBondContact N-O 2.75Å; V152-V185 PolarHBondContact O-N 3.11Å
153	T	98.8	Very high	97.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	172.1	178.8	56.8	0	0	0	0	109.5	R127 T129 Y162 A183 H184	R127-T153 WeakPolarHBondContact CB-OG1 3.48Å; R127-T153 WeakPolarHBondContact CG-OG1 3.19Å; R127-T153 PolarHBondContact N-O 2.89Å; R127-T153 PolarHBondContact NH1-OG1 3.34Å; R127-T153 VanDerWaalsContact NH1-OG1 3.1Å; R127-T153 PolarHBondContact O-N 3.25Å; R127-T153 PolarHBondContact O-OG1 3Å; T129-T153 HydrophobicContact CG2-CG2 4.03Å; T153-Y162 WeakPolarHBondContact CB-OH 3.18Å; T153-Y162 HydrophobicContact CG2-CE1 4.39Å; T153-Y162 HydrophobicContact CG2-CE2 4.09Å; T153-Y162 VanDerWaalsContact CG2-OH 3.25Å; T153-Y162 WeakPolarHBondContact CG2-OH 3.37Å; T153-A183 WeakPolarHBondContact CG2-O 3.28Å; T153-H184 HydrophobicContact CG2-CB 4.11Å
154	T	98.6	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	151.9	164.7	53.4	0	0	0	0	110.1	W121 V124 D156 R157 K161 L165	W121-T154 HydrophobicContact CE3-CG2 4.25Å; W121-T154 HydrophobicContact CZ3-CG2 3.97Å; V124-T154 HydrophobicContact CG1-CG2 4.07Å; T154-D156 WeakPolarHBondContact CB-OD1 3.48Å; T154-D156 PolarHBondContact O-N 2.87Å; T154-D156 PolarHBondContact OG1-OD1 2.75Å; T154-R157 WeakPolarHBondContact O-CA 3.4Å; T154-R157 PolarHBondContact O-N 3.09Å; T154-K161 HydrophobicContact CG2-CB 3.95Å; T154-K161 HydrophobicContact CG2-CD 4.09Å; T154-L165 HydrophobicContact CG2-CD2 4.33Å
155	S	98.4	Very high	97.8	Very high	33 Å²	33	37.2 Å²	37.2	23%	0.231	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.3	-178.2	59.2	0	0	0	0	113.9	I89 R125 R157	I89-S155 VanDerWaalsContact CD1-CB 3.47Å; R125-S155 PolarHBondContact N-OG 3Å; R125-S155 WeakPolarHBondContact O-CB 3.24Å; R125-S155 PolarHBondContact O-N 3.4Å; R125-S155 PolarHBondContact O-OG 2.82Å; S155-R157 VanDerWaalsContact C-N 3.26Å
156	D	98.1	Very high	97.9	Very high	71 Å²	71	36.5 Å²	36.5	38%	0.38	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.1	175.7	63.5	-2.5	0	0	0	113.4	T154 D158 K161	T154-D156 WeakPolarHBondContact CB-OD1 3.48Å; T154-D156 PolarHBondContact O-N 2.87Å; T154-D156 PolarHBondContact OG1-OD1 2.75Å; D156-D158 PolarHBondContact O-N 3.05Å; D156-D158 VanDerWaalsContact O-N 3.15Å; D156-D158 PolarHBondContact OD1-N 2.77Å; D156-K161 WeakPolarHBondContact OD2-CE 3.39Å; D156-K161 IonicContact OD2-NZ 2.78Å; D156-K161 PolarHBondContact OD2-NZ 2.96Å
157	R	97.9	Very high	98	Very high	164 Å²	164	38.4 Å²	38.4	62%	0.619	18%	0.175	S	C	*	.			trans	56.7	26	179.9	-51.6	174	75.2	179.3	4.1	113.3	T154 S155 R159	T154-R157 WeakPolarHBondContact O-CA 3.4Å; T154-R157 PolarHBondContact O-N 3.09Å; S155-R157 VanDerWaalsContact C-N 3.26Å; R157-R159 PolarHBondContact O-N 2.83Å
158	D	97.9	Very high	97.9	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	18%	0.178	S	C	.	.			trans	-75	104.8	175.9	179.8	3.7	0	0	0	110.8	D156 H160 K161 Y162	D156-D158 PolarHBondContact O-N 3.05Å; D156-D158 VanDerWaalsContact O-N 3.15Å; D156-D158 PolarHBondContact OD1-N 2.77Å; D158-H160 PolarHBondContact O-N 2.85Å; D158-H160 VanDerWaalsContact O-N 3.17Å; D158-H160 WeakPolarHBondContact OD1-CB 3.48Å; D158-H160 IonicContact OD1-CD2 3.36Å; D158-H160 PolarHBondContact OD1-CD2 2.67Å; D158-H160 IonicContact OD1-CG 3.7Å; D158-H160 PolarHBondContact OD1-N 2.74Å; D158-K161 HydrophobicContact CB-CD 4.11Å; D158-K161 HydrophobicContact CB-CG 4.12Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.5Å; D158-K161 IonicContact OD2-NZ 3.7Å; D158-K161 PolarHBondContact OD2-NZ 2.76Å; D158-Y162 WeakPolarHBondContact O-CD1 3.43Å; D158-Y162 WeakPolarHBondContact O-CE1 3.26Å
159	R	96.6	Very high	97.9	Very high	156 Å²	156	38.8 Å²	38.8	59%	0.589	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-62.6	-23	-178	-60.5	179.4	-176.6	177.2	-0.9	113.2	R157 K161 Y162 R182	R157-R159 PolarHBondContact O-N 2.83Å; R159-K161 PolarHBondContact O-N 2.73Å; R159-Y162 HydrophobicContact CB-CE2 4.43Å; R159-Y162 HydrophobicContact CG-CE2 4.06Å; R159-Y162 PolarHBondContact O-N 3.28Å; R159-R182 WeakPolarHBondContact CD-O 3.34Å
160	H	96.6	Very high	97.7	Very high	175 Å²	175	40.1 Å²	40.1	81%	0.81	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-67.8	-21.1	176.4	-63.8	-75.2	0	0	0	112.2	D158	D158-H160 PolarHBondContact O-N 2.85Å; D158-H160 VanDerWaalsContact O-N 3.17Å; D158-H160 WeakPolarHBondContact OD1-CB 3.48Å; D158-H160 IonicContact OD1-CD2 3.36Å; D158-H160 PolarHBondContact OD1-CD2 2.67Å; D158-H160 IonicContact OD1-CG 3.7Å; D158-H160 PolarHBondContact OD1-N 2.74Å
161	K	98.1	Very high	97.2	Very high	35 Å²	35	44.5 Å²	44.5	15%	0.152	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-80.3	-18.4	177.1	-63	-174.8	175.8	83.6	0	113.3	W121 T154 D156 D158 R159 A163 M164 L165	W121-K161 HydrophobicContact CD2-CD 3.91Å; W121-K161 HydrophobicContact CE3-CD 4.48Å; W121-K161 HydrophobicContact CG-CD 4.14Å; W121-K161 HydrophobicContact CH2-CB 3.91Å; W121-K161 HydrophobicContact CZ2-CB 3.64Å; W121-K161 HydrophobicContact CZ2-CD 4.17Å; W121-K161 HydrophobicContact CZ2-CG 3.91Å; T154-K161 HydrophobicContact CG2-CB 3.95Å; T154-K161 HydrophobicContact CG2-CD 4.09Å; D156-K161 WeakPolarHBondContact OD2-CE 3.39Å; D156-K161 IonicContact OD2-NZ 2.78Å; D156-K161 PolarHBondContact OD2-NZ 2.96Å; D158-K161 HydrophobicContact CB-CD 4.11Å; D158-K161 HydrophobicContact CB-CG 4.12Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.5Å; D158-K161 IonicContact OD2-NZ 3.7Å; D158-K161 PolarHBondContact OD2-NZ 2.76Å; R159-K161 PolarHBondContact O-N 2.73Å; K161-A163 PolarHBondContact O-N 3.08Å; K161-M164 CarbonylContact O-C 3.57Å; K161-M164 PolarHBondContact O-N 3.25Å; K161-L165 PolarHBondContact O-N 3.05Å
162	Y	98.4	Very high	96.5	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.02	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-34.3	-166.5	-69	6	0	0	0	113.6	T153 D158 R159 M164 L165 A166 Y179 A183 V185	T153-Y162 WeakPolarHBondContact CB-OH 3.18Å; T153-Y162 HydrophobicContact CG2-CE1 4.39Å; T153-Y162 HydrophobicContact CG2-CE2 4.09Å; T153-Y162 VanDerWaalsContact CG2-OH 3.25Å; T153-Y162 WeakPolarHBondContact CG2-OH 3.37Å; D158-Y162 WeakPolarHBondContact O-CD1 3.43Å; D158-Y162 WeakPolarHBondContact O-CE1 3.26Å; R159-Y162 HydrophobicContact CB-CE2 4.43Å; R159-Y162 HydrophobicContact CG-CE2 4.06Å; R159-Y162 PolarHBondContact O-N 3.28Å; Y162-M164 VanDerWaalsContact C-N 3.26Å; Y162-M164 PolarHBondContact O-N 2.86Å; Y162-L165 HydrophobicContact CD1-CD2 4.39Å; Y162-L165 WeakPolarHBondContact O-CB 3.36Å; Y162-L165 PolarHBondContact O-N 2.96Å; Y162-A166 WeakPolarHBondContact O-CB 3.04Å; Y162-A166 PolarHBondContact O-N 3.15Å; Y162-Y179 WeakPolarHBondContact CB-OH 3.49Å; Y162-Y179 HydrophobicContact CD2-CE2 4.33Å; Y162-A183 WeakPolarHBondContact CE2-O 3.1Å; Y162-V185 WeakPolarHBondContact O-CG2 3.46Å
163	A	97.8	Very high	95.8	Very high	24 Å²	24	45.8 Å²	45.8	20%	0.198	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-41.2	172.8	0	0	0	0	0	111.8	P45 L46 K161 R167 Y179	P45-A163 WeakPolarHBondContact CA-O 3.37Å; P45-A163 HydrophobicContact CB-CB 3.77Å; L46-A163 PolarHBondContact N-O 2.8Å; L46-A163 VanDerWaalsContact O-CB 3.26Å; L46-A163 WeakPolarHBondContact O-CB 3.45Å; K161-A163 PolarHBondContact O-N 3.08Å; A163-R167 PolarHBondContact O-N 3.18Å; A163-Y179 HydrophobicContact CB-CD1 4.43Å; A163-Y179 HydrophobicContact CB-CE1 3.91Å
164	M	98.3	Very high	95.6	Very high	36 Å²	36	46.3 Å²	46.3	18%	0.177	22%	0.222	C	C	.	.	H	α-helix	trans	-77.7	-37	176.4	-176.8	60	81	0	0	111.6	L43 P45 W121 K161 Y162 A166 R167 L168	L43-M164 HydrophobicContact CB-CE 4.42Å; L43-M164 HydrophobicContact CB-SD 4.14Å; L43-M164 HydrophobicContact CD1-SD 4.48Å; P45-M164 HydrophobicContact CG-CE 3.81Å; P45-M164 HydrophobicContact CG-SD 4.48Å; W121-M164 HydrophobicContact CH2-CB 3.99Å; W121-M164 HydrophobicContact CH2-CG 3.99Å; W121-M164 HydrophobicContact CZ2-CB 3.82Å; W121-M164 HydrophobicContact CZ2-CG 3.82Å; K161-M164 CarbonylContact O-C 3.57Å; K161-M164 PolarHBondContact O-N 3.25Å; Y162-M164 VanDerWaalsContact C-N 3.26Å; Y162-M164 PolarHBondContact O-N 2.86Å; M164-A166 VanDerWaalsContact C-N 3.26Å; M164-A166 PolarHBondContact O-N 3.18Å; M164-R167 CarbonylContact O-C 2.9Å; M164-R167 WeakPolarHBondContact O-CA 3.17Å; M164-R167 WeakPolarHBondContact O-CB 3.21Å; M164-R167 PolarHBondContact O-N 3.42Å; M164-R167 HydrophobicContact SD-CB 4.23Å; M164-R167 HydrophobicContact SD-CG 4.31Å; M164-L168 HydrophobicContact CG-CG 4.48Å; M164-L168 WeakPolarHBondContact O-CG 3.21Å; M164-L168 PolarHBondContact O-N 2.9Å
165	L	98.6	Very high	95.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-44	174.3	177.2	62.8	0	0	0	110.8	L113 V117 W121 L126 V152 T154 K161 Y162 R167 L168 A169 V185	L113-L165 HydrophobicContact CD1-CD1 4.29Å; V117-L165 HydrophobicContact CG2-CD1 3.5Å; W121-L165 HydrophobicContact CH2-CB 4.24Å; L126-L165 HydrophobicContact CD1-CD1 4Å; V152-L165 HydrophobicContact CG2-CD2 4.13Å; V152-L165 HydrophobicContact CG2-CG 4.44Å; T154-L165 HydrophobicContact CG2-CD2 4.33Å; K161-L165 PolarHBondContact O-N 3.05Å; Y162-L165 HydrophobicContact CD1-CD2 4.39Å; Y162-L165 WeakPolarHBondContact O-CB 3.36Å; Y162-L165 PolarHBondContact O-N 2.96Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.71Å; L165-L168 WeakPolarHBondContact O-CB 3.33Å; L165-L168 PolarHBondContact O-N 2.93Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L165-A169 PolarHBondContact O-N 2.95Å; L165-V185 HydrophobicContact CD2-CG2 4.36Å
166	A	98.4	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-39.3	175.3	0	0	0	0	0	112.2	L46 Y162 M164 A169 V170 V177 V185	L46-A166 HydrophobicContact CB-CB 3.97Å; L46-A166 HydrophobicContact CD1-CB 4.4Å; L46-A166 HydrophobicContact CD2-CB 4.05Å; L46-A166 HydrophobicContact CG-CB 4.35Å; Y162-A166 WeakPolarHBondContact O-CB 3.04Å; Y162-A166 PolarHBondContact O-N 3.15Å; M164-A166 VanDerWaalsContact C-N 3.26Å; M164-A166 PolarHBondContact O-N 3.18Å; A166-A169 PolarHBondContact O-N 3.44Å; A166-V170 WeakPolarHBondContact O-CG2 3.39Å; A166-V170 PolarHBondContact O-N 3.14Å; A166-V170 VanDerWaalsContact O-N 3.11Å; A166-V177 HydrophobicContact CB-CG1 4.07Å; A166-V185 HydrophobicContact CB-CB 4.45Å; A166-V185 HydrophobicContact CB-CG1 3.61Å; A166-V185 HydrophobicContact CB-CG2 3.93Å
167	R	97.8	Very high	95.3	Very high	43 Å²	43	43.3 Å²	43.3	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-44	172.6	171	54.2	60.2	-166.5	-4.5	111.4	L43 V44 L46 A163 M164 L165 A169 V170 E171	L43-R167 HydrophobicContact CB-CG 3.91Å; L43-R167 HydrophobicContact CD2-CG 4.06Å; L43-R167 HydrophobicContact CG-CG 4.49Å; V44-R167 PolarHBondContact O-NE 2.9Å; V44-R167 PolarHBondContact O-NH2 2.92Å; L46-R167 HydrophobicContact CD1-CB 4.13Å; A163-R167 PolarHBondContact O-N 3.18Å; M164-R167 CarbonylContact O-C 2.9Å; M164-R167 WeakPolarHBondContact O-CA 3.17Å; M164-R167 WeakPolarHBondContact O-CB 3.21Å; M164-R167 PolarHBondContact O-N 3.42Å; M164-R167 HydrophobicContact SD-CB 4.23Å; M164-R167 HydrophobicContact SD-CG 4.31Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 2.71Å; R167-A169 PolarHBondContact O-N 3.2Å; R167-V170 WeakPolarHBondContact O-CB 3.49Å; R167-V170 PolarHBondContact O-N 2.91Å; R167-V170 VanDerWaalsContact O-N 3.13Å; R167-E171 IonicContact NH1-OE1 3.92Å; R167-E171 PolarHBondContact O-N 2.83Å
168	L	93.9	Very high	95.3	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-36.8	176.5	-64.9	175.5	0	0	0	111.4	L43 L113 V117 H120 W121 M164 L165 E171 A172	L43-L168 HydrophobicContact CD1-CD2 3.98Å; L113-L168 HydrophobicContact CD1-CB 3.7Å; V117-L168 HydrophobicContact CG2-CD1 4.43Å; H120-L168 HydrophobicContact CB-CD1 3.8Å; W121-L168 HydrophobicContact CE3-CD1 4.44Å; W121-L168 HydrophobicContact CH2-CD1 3.93Å; W121-L168 HydrophobicContact CZ3-CD1 3.7Å; M164-L168 HydrophobicContact CG-CG 4.48Å; M164-L168 WeakPolarHBondContact O-CG 3.21Å; M164-L168 PolarHBondContact O-N 2.9Å; L165-L168 WeakPolarHBondContact O-CB 3.33Å; L165-L168 PolarHBondContact O-N 2.93Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L168-E171 PolarHBondContact O-N 3.28Å; L168-A172 VanDerWaalsContact O-CB 3.31Å; L168-A172 WeakPolarHBondContact O-CB 3.35Å; L168-A172 PolarHBondContact O-N 2.95Å
169	A	96.7	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-39.8	174.6	0	0	0	0	0	112.4	L113 L165 A166 R167 E171 A172 G173 F174 V177 C187	L113-A169 HydrophobicContact CD1-CB 4.24Å; L113-A169 HydrophobicContact CD2-CB 3.89Å; L165-A169 PolarHBondContact O-N 2.95Å; A166-A169 PolarHBondContact O-N 3.44Å; R167-A169 PolarHBondContact O-N 3.2Å; A169-E171 PolarHBondContact O-N 2.93Å; A169-A172 PolarHBondContact O-N 3.11Å; A169-G173 PolarHBondContact O-N 3.48Å; A169-F174 HydrophobicContact CB-CD2 4Å; A169-F174 WeakPolarHBondContact O-CD2 3.37Å; A169-F174 PolarHBondContact O-N 2.91Å; A169-V177 HydrophobicContact CB-CG1 4.06Å; A169-V177 HydrophobicContact CB-CG2 3.82Å; A169-C187 VanDerWaalsContact CB-SG 3.53Å
170	V	94.4	Very high	95.1	Very high	29 Å²	29	31.4 Å²	31.4	18%	0.176	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-45.3	173.3	174.2	0	0	0	0	110.8	L46 A166 R167 G173 V177	L46-V170 HydrophobicContact CD1-CG2 4.32Å; A166-V170 WeakPolarHBondContact O-CG2 3.39Å; A166-V170 PolarHBondContact O-N 3.14Å; A166-V170 VanDerWaalsContact O-N 3.11Å; R167-V170 WeakPolarHBondContact O-CB 3.49Å; R167-V170 PolarHBondContact O-N 2.91Å; R167-V170 VanDerWaalsContact O-N 3.13Å; V170-G173 PolarHBondContact O-N 2.98Å; V170-G173 VanDerWaalsContact O-N 3.11Å; V170-V177 HydrophobicContact CG2-CB 3.78Å; V170-V177 HydrophobicContact CG2-CG1 4.28Å; V170-V177 HydrophobicContact CG2-CG2 3.79Å
171	E	88.2	Confident	95.1	Very high	93 Å²	93	24.4 Å²	24.4	44%	0.435	13%	0.129	S	C	.	.	H	α-helix	trans	-71.7	-28.9	179.1	-59.9	-56.4	131.8	0	0	113.1	L43 R167 L168 A169 G173	L43-E171 HydrophobicContact CD2-CG 3.62Å; R167-E171 IonicContact NH1-OE1 3.92Å; R167-E171 PolarHBondContact O-N 2.83Å; L168-E171 PolarHBondContact O-N 3.28Å; A169-E171 PolarHBondContact O-N 2.93Å; E171-G173 PolarHBondContact O-N 3.25Å
172	A	83.9	Confident	94.9	Very high	12 Å²	12	31 Å²	31	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-14.7	171.2	0	0	0	0	0	112.1	K109 L113 L168 A169 F174	K109-A172 WeakPolarHBondContact CD-O 3.31Å; L113-A172 HydrophobicContact CB-CB 3.85Å; L113-A172 HydrophobicContact CD1-CB 4.36Å; L168-A172 VanDerWaalsContact O-CB 3.31Å; L168-A172 WeakPolarHBondContact O-CB 3.35Å; L168-A172 PolarHBondContact O-N 2.95Å; A169-A172 PolarHBondContact O-N 3.11Å; A172-F174 HydrophobicContact CB-CD2 4.44Å
173	G	83.6	Confident	94.8	Very high	25 Å²	25	33.4 Å²	33.4	26%	0.258	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	29.3	171.6	0	0	0	0	0	114	K109 A169 V170 E171	K109-G173 WeakPolarHBondContact CD-O 3.24Å; K109-G173 WeakPolarHBondContact CE-O 3.34Å; A169-G173 PolarHBondContact O-N 3.48Å; V170-G173 PolarHBondContact O-N 2.98Å; V170-G173 VanDerWaalsContact O-N 3.11Å; E171-G173 PolarHBondContact O-N 3.25Å
174	F	94.7	Very high	94.8	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.057	17%	0.171	C	C	.	.			trans	-58	141.9	160.6	-80.1	-86.4	0	0	0	109.8	K109 L110 L113 V150 A169 A172 W176 V177 C187 V189	K109-F174 HydrophobicContact CB-CD1 4.08Å; K109-F174 HydrophobicContact CB-CD2 3.95Å; K109-F174 HydrophobicContact CB-CE1 3.93Å; K109-F174 HydrophobicContact CB-CE2 3.78Å; K109-F174 HydrophobicContact CB-CG 4.11Å; K109-F174 HydrophobicContact CB-CZ 3.79Å; L110-F174 HydrophobicContact CB-CZ 4.2Å; L110-F174 HydrophobicContact CD1-CZ 4.05Å; L113-F174 HydrophobicContact CB-CE2 4.09Å; L113-F174 HydrophobicContact CD2-CE2 3.84Å; V150-F174 HydrophobicContact CG2-CE1 3.99Å; V150-F174 HydrophobicContact CG2-CZ 4.14Å; A169-F174 HydrophobicContact CB-CD2 4Å; A169-F174 WeakPolarHBondContact O-CD2 3.37Å; A169-F174 PolarHBondContact O-N 2.91Å; A172-F174 HydrophobicContact CB-CD2 4.44Å; F174-W176 VanDerWaalsContact C-N 3.32Å; F174-V177 HydrophobicContact CB-CG2 3.63Å; F174-V177 HydrophobicContact CG-CG2 4.48Å; F174-C187 HydrophobicContact CD1-CB 3.56Å; F174-C187 HydrophobicContact CD2-CB 4.27Å; F174-C187 HydrophobicContact CE1-CB 3.68Å; F174-C187 HydrophobicContact CE2-CB 4.37Å; F174-C187 HydrophobicContact CG-CB 3.87Å; F174-C187 HydrophobicContact CZ-CB 4.09Å; F174-V189 HydrophobicContact CD1-CG1 3.74Å; F174-V189 HydrophobicContact CE1-CG1 4.13Å
175	D	92.7	Very high	94.8	Very high	22 Å²	22	32 Å²	32	12%	0.118	16%	0.162	C	C	.	.	S	Bend	trans	-77.1	-25.4	-174.8	-64.8	-69.7	0	0	0	112	P53 R105 S188 V189 K190	P53-D175 WeakPolarHBondContact CD-O 3.27Å; R105-D175 IonicContact CZ-OD1 3.95Å; R105-D175 IonicContact CZ-OD2 2.98Å; R105-D175 IonicContact NE-OD1 3.79Å; R105-D175 IonicContact NE-OD2 3.92Å; R105-D175 PolarHBondContact NE-OD2 3.12Å; R105-D175 VanDerWaalsContact NH2-CG 3.33Å; R105-D175 IonicContact NH2-OD1 3.14Å; R105-D175 PolarHBondContact NH2-OD1 3.49Å; R105-D175 IonicContact NH2-OD2 3.58Å; R105-D175 PolarHBondContact NH2-OD2 3.15Å; R105-D175 VanDerWaalsContact NH2-OD2 3.13Å; D175-S188 PolarHBondContact N-O 2.9Å; D175-V189 WeakPolarHBondContact OD2-CA 3.36Å; D175-K190 HydrophobicContact CB-CG 3.97Å; D175-K190 PolarHBondContact OD2-N 2.81Å
176	W	97.9	Very high	94.8	Very high	19 Å²	19	32.4 Å²	32.4	7%	0.072	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	135.2	170.9	-164.1	77.7	0	0	0	110.2	F51 S52 V55 E57 A62 S63 F174 H178 H186 S188	F51-W176 HydrophobicContact CB-CH2 4.21Å; F51-W176 HydrophobicContact CB-CZ2 3.42Å; F51-W176 VanDerWaalsContact CB-CZ2 3.42Å; F51-W176 HydrophobicContact CD1-CZ2 4.24Å; F51-W176 HydrophobicContact CD2-CZ2 4.05Å; F51-W176 AromaticContact CD2-NE1 3.77Å; F51-W176 AromaticContact CG-CZ2 3.64Å; F51-W176 HydrophobicContact CG-CZ2 3.64Å; S52-W176 WeakPolarHBondContact O-CA 3Å; V55-W176 PolarHBondContact O-NE1 3.09Å; E57-W176 HydrophobicContact CB-CD2 3.68Å; E57-W176 HydrophobicContact CB-CE3 3.75Å; E57-W176 HydrophobicContact CB-CG 4.21Å; E57-W176 HydrophobicContact CB-CH2 4.07Å; E57-W176 HydrophobicContact CB-CZ2 4.03Å; E57-W176 HydrophobicContact CB-CZ3 3.93Å; E57-W176 HydrophobicContact CG-CB 4.4Å; E57-W176 HydrophobicContact CG-CD2 3.82Å; E57-W176 HydrophobicContact CG-CE3 3.61Å; E57-W176 HydrophobicContact CG-CG 4.19Å; E57-W176 HydrophobicContact CG-CZ3 4.07Å; A62-W176 HydrophobicContact CB-CB 4.06Å; A62-W176 VanDerWaalsContact CB-CD1 3.48Å; A62-W176 HydrophobicContact CB-CG 4.02Å; S63-W176 VanDerWaalsContact OG-CB 3.26Å; S63-W176 WeakPolarHBondContact OG-CB 3.26Å; F174-W176 VanDerWaalsContact C-N 3.32Å; W176-H178 HydrophobicContact CE3-CB 3.98Å; W176-H178 HydrophobicContact CH2-CB 3.31Å; W176-H178 AromaticContact CH2-CG 3.6Å; W176-H178 AromaticContact CH2-ND1 3.64Å; W176-H178 HydrophobicContact CZ2-CB 3.96Å; W176-H178 HydrophobicContact CZ3-CB 3.32Å; W176-H186 AromaticContact CE3-CD2 3.79Å; W176-H186 AromaticContact CZ3-CD2 3.54Å; W176-S188 PolarHBondContact N-O 2.73Å; W176-S188 VanDerWaalsContact N-O 3.15Å; W176-S188 PolarHBondContact O-N 3.31Å
177	V	98.6	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.8	177.1	179.7	0	0	0	0	108.5	L46 F51 S52 A166 A169 V170 F174 V185 H186	L46-V177 HydrophobicContact CD2-CG1 4.35Å; F51-V177 CarbonylContact C-O 3.59Å; F51-V177 WeakPolarHBondContact CA-O 3.42Å; F51-V177 WeakPolarHBondContact CB-O 3.47Å; S52-V177 PolarHBondContact N-O 3.02Å; S52-V177 PolarHBondContact O-N 3.35Å; A166-V177 HydrophobicContact CB-CG1 4.07Å; A169-V177 HydrophobicContact CB-CG1 4.06Å; A169-V177 HydrophobicContact CB-CG2 3.82Å; V170-V177 HydrophobicContact CG2-CB 3.78Å; V170-V177 HydrophobicContact CG2-CG1 4.28Å; V170-V177 HydrophobicContact CG2-CG2 3.79Å; F174-V177 HydrophobicContact CB-CG2 3.63Å; F174-V177 HydrophobicContact CG-CG2 4.48Å; V177-V185 HydrophobicContact CG1-CG1 3.76Å; V177-H186 CarbonylContact C-O 3.5Å; V177-H186 WeakPolarHBondContact CA-O 3.22Å
178	H	98.4	Very high	94.8	Very high	28 Å²	28	30.4 Å²	30.4	13%	0.13	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.3	179.6	176.7	-148.2	0	0	0	110	Q50 F51 W176 E180 H186	Q50-H178 PolarHBondContact O-CD2 2.95Å; F51-H178 HydrophobicContact CB-CB 3.92Å; W176-H178 HydrophobicContact CE3-CB 3.98Å; W176-H178 HydrophobicContact CH2-CB 3.31Å; W176-H178 AromaticContact CH2-CG 3.6Å; W176-H178 AromaticContact CH2-ND1 3.64Å; W176-H178 HydrophobicContact CZ2-CB 3.96Å; W176-H178 HydrophobicContact CZ3-CB 3.32Å; H178-E180 PolarHBondContact O-N 3.25Å; H178-H186 HydrophobicContact CB-CB 4.36Å; H178-H186 PolarHBondContact N-O 3.06Å; H178-H186 PolarHBondContact O-N 3.31Å
179	Y	97.9	Very high	94.8	Very high	21 Å²	21	29.9 Å²	29.9	8%	0.082	15%	0.154	C	C	.	.			trans	-76.7	73.1	169.2	-167.7	-178.5	0	0	0	109.2	L48 K49 Q50 Y162 A163 S181 V185	L48-Y179 HydrophobicContact CB-CD1 4.36Å; L48-Y179 HydrophobicContact CB-CE1 4.35Å; L48-Y179 HydrophobicContact CD1-CD1 4.43Å; L48-Y179 HydrophobicContact CD1-CD2 3.98Å; L48-Y179 HydrophobicContact CD1-CE1 4.33Å; L48-Y179 HydrophobicContact CD1-CE2 3.91Å; L48-Y179 HydrophobicContact CD1-CG 4.25Å; K49-Y179 WeakPolarHBondContact CA-O 3.32Å; K49-Y179 PolarHBondContact N-O 2.97Å; Q50-Y179 PolarHBondContact O-N 3.02Å; Y162-Y179 WeakPolarHBondContact CB-OH 3.49Å; Y162-Y179 HydrophobicContact CD2-CE2 4.33Å; A163-Y179 HydrophobicContact CB-CD1 4.43Å; A163-Y179 HydrophobicContact CB-CE1 3.91Å; Y179-S181 WeakPolarHBondContact CD2-O 3.21Å; Y179-S181 WeakPolarHBondContact CE2-O 3.41Å; Y179-V185 HydrophobicContact CD2-CG2 4.05Å; Y179-V185 HydrophobicContact CE2-CG2 4.41Å
180	E	92.8	Very high	94.5	Very high	69 Å²	69	31.4 Å²	31.4	32%	0.322	16%	0.161	S	C	.	.			trans	-66.1	-43.6	-164.9	-177.9	177.3	-155.1	0	0	113	K49 H178 H184 H186	K49-E180 WeakPolarHBondContact CD-O 3.46Å; K49-E180 VanDerWaalsContact CE-O 3.24Å; K49-E180 WeakPolarHBondContact CE-O 3.17Å; K49-E180 PolarHBondContact NZ-O 2.97Å; H178-E180 PolarHBondContact O-N 3.25Å; E180-H184 IonicContact OE2-CD2 3.61Å; E180-H184 IonicContact OE2-CE1 2.83Å; E180-H184 IonicContact OE2-NE2 2.77Å; E180-H184 PolarHBondContact OE2-NE2 3.43Å; E180-H186 HydrophobicContact CB-CB 4.08Å
181	S	95.6	Very high	93.9	Very high	28 Å²	28	30.2 Å²	30.2	20%	0.196	15%	0.154	C	C	.	.			trans	-143.6	171.5	-172.7	87.7	0	0	0	0	110.9	Y179 A183 H184	Y179-S181 WeakPolarHBondContact CD2-O 3.21Å; Y179-S181 WeakPolarHBondContact CE2-O 3.41Å; S181-A183 PolarHBondContact O-N 3.04Å; S181-A183 WeakPolarHBondContact OG-CB 3.05Å; S181-A183 PolarHBondContact OG-N 3.13Å; S181-H184 VanDerWaalsContact O-O 3.06Å; S181-H184 PolarHBondContact OG-CE1 3.35Å; S181-H184 PolarHBondContact OG-N 3.43Å; S181-H184 PolarHBondContact OG-ND1 3.11Å
182	R	94.4	Very high	92.8	Very high	174 Å²	174	26.8 Å²	26.8	66%	0.657	14%	0.138	S	C	*	.	S	Bend	trans	-74.2	-8	170.2	-70.1	-171.1	173.2	99.6	-1.9	112.9	L48 R159	L48-R182 HydrophobicContact CD1-CG 4.21Å; L48-R182 HydrophobicContact CD2-CG 3.99Å; R159-R182 WeakPolarHBondContact CD-O 3.34Å
183	A	95.9	Very high	91.3	Very high	55 Å²	55	28.9 Å²	28.9	46%	0.455	15%	0.146	S	C	.	.	S	Bend	trans	-93.3	-28.2	-177.1	0	0	0	0	0	112.7	T153 Y162 S181	T153-A183 WeakPolarHBondContact CG2-O 3.28Å; Y162-A183 WeakPolarHBondContact CE2-O 3.1Å; S181-A183 PolarHBondContact O-N 3.04Å; S181-A183 WeakPolarHBondContact OG-CB 3.05Å; S181-A183 PolarHBondContact OG-N 3.13Å
184	H	97.7	Very high	89.6	Confident	30 Å²	30	28.6 Å²	28.6	14%	0.139	14%	0.14	C	C	.	.			trans	-161.5	167.9	-175	64.7	-84.5	0	0	0	113	D151 T153 E180 S181	D151-H184 HydrophobicContact CB-CB 4.15Å; D151-H184 VanDerWaalsContact CB-CD2 3.43Å; D151-H184 WeakPolarHBondContact CB-CD2 3.39Å; D151-H184 VanDerWaalsContact CG-NE2 3.3Å; D151-H184 IonicContact OD1-CD2 2.76Å; D151-H184 PolarHBondContact OD1-CD2 3.02Å; D151-H184 VanDerWaalsContact OD1-CD2 3.29Å; D151-H184 IonicContact OD1-NE2 3.71Å; D151-H184 PolarHBondContact OD1-NE2 3.27Å; D151-H184 IonicContact OD2-CD2 2.75Å; D151-H184 PolarHBondContact OD2-CD2 3.34Å; D151-H184 IonicContact OD2-CE1 3.12Å; D151-H184 IonicContact OD2-NE2 3.54Å; D151-H184 PolarHBondContact OD2-NE2 3.5Å; D151-H184 VanDerWaalsContact OD2-NE2 3.1Å; T153-H184 HydrophobicContact CG2-CB 4.11Å; E180-H184 IonicContact OE2-CD2 3.61Å; E180-H184 IonicContact OE2-CE1 2.83Å; E180-H184 IonicContact OE2-NE2 2.77Å; E180-H184 PolarHBondContact OE2-NE2 3.43Å; S181-H184 VanDerWaalsContact O-O 3.06Å; S181-H184 PolarHBondContact OG-CE1 3.35Å; S181-H184 PolarHBondContact OG-N 3.43Å; S181-H184 PolarHBondContact OG-ND1 3.11Å
185	V	98.6	Very high	87.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.9	167.8	178.6	0	0	0	0	108	D151 V152 Y162 L165 A166 V177 Y179	D151-V185 WeakPolarHBondContact CA-O 3.41Å; V152-V185 HydrophobicContact CG2-CB 4.07Å; V152-V185 WeakPolarHBondContact CG2-O 3.4Å; V152-V185 PolarHBondContact N-O 2.75Å; V152-V185 PolarHBondContact O-N 3.11Å; Y162-V185 WeakPolarHBondContact O-CG2 3.46Å; L165-V185 HydrophobicContact CD2-CG2 4.36Å; A166-V185 HydrophobicContact CB-CB 4.45Å; A166-V185 HydrophobicContact CB-CG1 3.61Å; A166-V185 HydrophobicContact CB-CG2 3.93Å; V177-V185 HydrophobicContact CG1-CG1 3.76Å; Y179-V185 HydrophobicContact CD2-CG2 4.05Å; Y179-V185 HydrophobicContact CE2-CG2 4.41Å
186	H	98.6	Very high	84.6	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.046	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.4	175.4	179.3	90.1	0	0	0	110.2	E57 H144 D151 W176 V177 H178 E180	E57-H186 IonicContact OE1-NE2 3.94Å; E57-H186 PolarHBondContact OE1-NE2 3.06Å; E57-H186 VanDerWaalsContact OE1-NE2 3.12Å; H144-H186 AromaticContact CD2-CE1 3.71Å; H144-H186 AromaticContact NE2-CE1 3.2Å; H144-H186 PolarHBondContact NE2-CE1 3.23Å; H144-H186 AromaticContact NE2-ND1 3.26Å; H144-H186 PolarHBondContact NE2-ND1 3.19Å; D151-H186 WeakPolarHBondContact OD1-CA 3.4Å; D151-H186 WeakPolarHBondContact OD1-CB 3.42Å; D151-H186 IonicContact OD1-CG 2.74Å; D151-H186 IonicContact OD1-ND1 3.82Å; D151-H186 PolarHBondContact OD1-ND1 2.99Å; W176-H186 AromaticContact CE3-CD2 3.79Å; W176-H186 AromaticContact CZ3-CD2 3.54Å; V177-H186 CarbonylContact C-O 3.5Å; V177-H186 WeakPolarHBondContact CA-O 3.22Å; H178-H186 HydrophobicContact CB-CB 4.36Å; H178-H186 PolarHBondContact N-O 3.06Å; H178-H186 PolarHBondContact O-N 3.31Å; E180-H186 HydrophobicContact CB-CB 4.08Å
187	C	98.6	Very high	81.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.6	179.9	-63.7	0	0	0	0	109.5	A149 V150 A169 F174	A149-C187 CarbonylContact C-O 3.59Å; A149-C187 VanDerWaalsContact CA-O 3.27Å; A149-C187 WeakPolarHBondContact CA-O 3.48Å; V150-C187 HydrophobicContact CG2-CB 4.03Å; V150-C187 PolarHBondContact N-O 2.93Å; V150-C187 PolarHBondContact O-N 3.41Å; A169-C187 VanDerWaalsContact CB-SG 3.53Å; F174-C187 HydrophobicContact CD1-CB 3.56Å; F174-C187 HydrophobicContact CD2-CB 4.27Å; F174-C187 HydrophobicContact CE1-CB 3.68Å; F174-C187 HydrophobicContact CE2-CB 4.37Å; F174-C187 HydrophobicContact CG-CB 3.87Å; F174-C187 HydrophobicContact CZ-CB 4.09Å
188	S	98.3	Very high	79.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.8	178	67.4	0	0	0	0	113.6	E57 S63 R148 D175 W176	E57-S188 WeakPolarHBondContact OE1-CB 3.5Å; E57-S188 PolarHBondContact OE1-OG 3.38Å; S63-S188 WeakPolarHBondContact CB-OG 3.46Å; S63-S188 VanDerWaalsContact OG-C 3.26Å; S63-S188 PolarHBondContact OG-O 3.04Å; S63-S188 PolarHBondContact OG-OG 3.16Å; R148-S188 CarbonylContact O-C 3.56Å; R148-S188 VanDerWaalsContact O-CA 3.22Å; R148-S188 WeakPolarHBondContact O-CA 3.32Å; R148-S188 WeakPolarHBondContact O-CB 3.27Å; D175-S188 PolarHBondContact N-O 2.9Å; W176-S188 PolarHBondContact N-O 2.73Å; W176-S188 VanDerWaalsContact N-O 3.15Å; W176-S188 PolarHBondContact O-N 3.31Å
189	V	94.2	Very high	76.6	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	-125.6	156.9	-177.6	-61.2	0	0	0	0	111.9	R105 C106 K109 R148 F174 D175	R105-V189 HydrophobicContact CB-CG2 4.4Å; R105-V189 HydrophobicContact CG-CB 4.04Å; R105-V189 HydrophobicContact CG-CG1 4.24Å; R105-V189 HydrophobicContact CG-CG2 4.33Å; C106-V189 HydrophobicContact CB-CG1 4.46Å; C106-V189 HydrophobicContact CB-CG2 3.69Å; K109-V189 HydrophobicContact CB-CG1 4.4Å; K109-V189 HydrophobicContact CG-CG1 4Å; R148-V189 HydrophobicContact CB-CG2 4.21Å; R148-V189 HydrophobicContact CG-CG2 4.44Å; R148-V189 PolarHBondContact NE-O 3.1Å; R148-V189 VanDerWaalsContact NE-O 3.15Å; R148-V189 PolarHBondContact NH2-O 3.48Å; R148-V189 WeakPolarHBondContact O-CG2 3.41Å; R148-V189 PolarHBondContact O-N 3.47Å; F174-V189 HydrophobicContact CD1-CG1 3.74Å; F174-V189 HydrophobicContact CE1-CG1 4.13Å; D175-V189 WeakPolarHBondContact OD2-CA 3.36Å
190	K	88.8	Confident	74.8	Confident	32 Å²	32	30.3 Å²	30.3	14%	0.139	16%	0.16	C	C	.	.			trans	-58.3	147.9	163.9	-67.3	172.4	-175.2	-60.1	0	110.6	L60 A62 S63 R105 D175 S194	L60-K190 PolarHBondContact O-NZ 2.81Å; A62-K190 WeakPolarHBondContact O-CE 2.95Å; A62-K190 WeakPolarHBondContact O-CG 3.48Å; A62-K190 PolarHBondContact O-NZ 2.7Å; S63-K190 VanDerWaalsContact O-CA 3.27Å; S63-K190 WeakPolarHBondContact O-CA 3.5Å; R105-K190 WeakPolarHBondContact CD-O 3.46Å; D175-K190 HydrophobicContact CB-CG 3.97Å; D175-K190 PolarHBondContact OD2-N 2.81Å; K190-S194 WeakPolarHBondContact CB-OG 3.36Å
191	S	81.8	Confident	74	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.021	15%	0.148	C	C	.	.			trans	-56.9	147	174.4	175.6	0	0	0	0	110.6	E67 R148 H193 S194	E67-S191 VanDerWaalsContact CD-CB 3.43Å; E67-S191 WeakPolarHBondContact OE1-CB 3.38Å; E67-S191 PolarHBondContact OE1-OG 2.83Å; E67-S191 WeakPolarHBondContact OE2-CB 3.18Å; E67-S191 PolarHBondContact OE2-OG 2.86Å; R148-S191 VanDerWaalsContact CZ-N 3.33Å; R148-S191 VanDerWaalsContact NE-N 3.18Å; S191-H193 PolarHBondContact O-N 2.83Å; S191-H193 WeakPolarHBondContact OG-CB 3.42Å; S191-H193 PolarHBondContact OG-N 3.15Å; S191-S194 WeakPolarHBondContact O-CA 3.48Å; S191-S194 WeakPolarHBondContact O-CB 3.47Å; S191-S194 PolarHBondContact O-N 2.7Å; S191-S194 PolarHBondContact O-OG 2.72Å; S191-S194 PolarHBondContact OG-N 2.78Å
192	D	65.3	Low	73.8	Confident	21 Å²	21	26 Å²	26	11%	0.112	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.7	167	-73.3	-16.5	0	0	0	111	T103 Q104 R105 K198	T103-D192 VanDerWaalsContact CB-OD2 3.32Å; T103-D192 WeakPolarHBondContact CB-OD2 3.32Å; Q104-D192 PolarHBondContact N-OD2 2.82Å; R105-D192 WeakPolarHBondContact CB-OD1 3.35Å; R105-D192 PolarHBondContact N-OD1 3.49Å; R105-D192 VanDerWaalsContact N-OD1 3.13Å; D192-K198 WeakPolarHBondContact O-CD 3.32Å; D192-K198 VanDerWaalsContact O-CE 3.23Å; D192-K198 WeakPolarHBondContact O-CE 3.34Å; D192-K198 WeakPolarHBondContact O-CG 3.28Å
193	H	54.2	Low	73.9	Confident	56 Å²	56	17.8 Å²	17.8	26%	0.259	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.2	168.5	-52.3	-64.1	0	0	0	113.8	E67 E79 S191 M195 K198	E67-H193 IonicContact OE2-CD2 3.54Å; E67-H193 PolarHBondContact OE2-CD2 2.79Å; E67-H193 IonicContact OE2-CG 3.77Å; E79-H193 IonicContact OE1-CE1 3.92Å; E79-H193 PolarHBondContact OE1-CE1 3.06Å; E79-H193 IonicContact OE1-NE2 3.7Å; E79-H193 PolarHBondContact OE1-NE2 3.29Å; E79-H193 IonicContact OE2-CD2 2.77Å; E79-H193 IonicContact OE2-CE1 2.71Å; E79-H193 IonicContact OE2-NE2 2.76Å; E79-H193 PolarHBondContact OE2-NE2 2.87Å; S191-H193 PolarHBondContact O-N 2.83Å; S191-H193 WeakPolarHBondContact OG-CB 3.42Å; S191-H193 PolarHBondContact OG-N 3.15Å; H193-M195 VanDerWaalsContact C-N 3.27Å; H193-M195 PolarHBondContact O-N 3.13Å; H193-K198 PolarHBondContact ND1-NZ 2.84Å
194	S	47.4	Very low	73.8	Confident	20 Å²	20	15.2 Å²	15.2	14%	0.14	9%	0.086	C	C	.	.	S	Bend	trans	-56.2	109.4	164.9	79.5	0	0	0	0	104.5	K190 S191 A196 A197	K190-S194 WeakPolarHBondContact CB-OG 3.36Å; S191-S194 WeakPolarHBondContact O-CA 3.48Å; S191-S194 WeakPolarHBondContact O-CB 3.47Å; S191-S194 PolarHBondContact O-N 2.7Å; S191-S194 PolarHBondContact O-OG 2.72Å; S191-S194 PolarHBondContact OG-N 2.78Å; S194-A196 CarbonylContact O-C 3.53Å; S194-A196 WeakPolarHBondContact O-CA 3.4Å; S194-A196 PolarHBondContact O-N 2.75Å; S194-A197 PolarHBondContact O-N 2.68Å
195	M	43	Very low	73.7	Confident	30 Å²	30	14.1 Å²	14.1	15%	0.148	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-10.6	-176.2	-61.7	-55.1	-58.7	0	0	111.9	H193 A199 P252 R253 L254	H193-M195 VanDerWaalsContact C-N 3.27Å; H193-M195 PolarHBondContact O-N 3.13Å; M195-A199 WeakPolarHBondContact O-CB 3.26Å; M195-P252 WeakPolarHBondContact CE-O 3.41Å; M195-R253 VanDerWaalsContact CE-CA 3.49Å; M195-R253 HydrophobicContact CE-CB 3.11Å; M195-R253 HydrophobicContact CE-CG 3.18Å; M195-L254 HydrophobicContact CB-CB 3.5Å; M195-L254 VanDerWaalsContact CB-CB 3.5Å; M195-L254 HydrophobicContact CB-CD1 3.88Å; M195-L254 HydrophobicContact CB-CG 3.65Å; M195-L254 VanDerWaalsContact CB-N 3.34Å; M195-L254 HydrophobicContact CG-CB 3.92Å; M195-L254 HydrophobicContact CG-CD1 3.97Å; M195-L254 HydrophobicContact CG-CG 3.56Å
196	A	38.7	Very low	73.6	Confident	22 Å²	22	19.8 Å²	19.8	18%	0.182	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-65.7	156.3	0	0	0	0	0	111.7	S194 K198 A199 L406	S194-A196 CarbonylContact O-C 3.53Å; S194-A196 WeakPolarHBondContact O-CA 3.4Å; S194-A196 PolarHBondContact O-N 2.75Å; A196-K198 PolarHBondContact O-N 3.32Å; A196-A199 PolarHBondContact O-N 3.35Å; A196-L406 HydrophobicContact CB-CD1 3.47Å; A196-L406 VanDerWaalsContact CB-CD1 3.47Å; A196-L406 HydrophobicContact CB-CD2 3.63Å; A196-L406 HydrophobicContact CB-CG 4.13Å; A196-L406 WeakPolarHBondContact O-CB 3.44Å
197	A	38.4	Very low	73.5	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.4	-168.4	0	0	0	0	0	115.9	S194 L406 A409	S194-A197 PolarHBondContact O-N 2.68Å; A197-L406 HydrophobicContact CB-CD2 4.32Å; A197-A409 HydrophobicContact CB-CB 4.45Å; A197-A409 WeakPolarHBondContact O-CB 3.18Å
198	K	43.2	Very low	73.4	Confident	59 Å²	59	20.4 Å²	20.4	26%	0.257	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1.6	177.7	-78.7	177	178.3	167.8	0	114.4	D192 H193 A196 R253 Q410	D192-K198 WeakPolarHBondContact O-CD 3.32Å; D192-K198 VanDerWaalsContact O-CE 3.23Å; D192-K198 WeakPolarHBondContact O-CE 3.34Å; D192-K198 WeakPolarHBondContact O-CG 3.28Å; H193-K198 PolarHBondContact ND1-NZ 2.84Å; A196-K198 PolarHBondContact O-N 3.32Å; K198-R253 PolarHBondContact O-NH1 2.87Å; K198-Q410 VanDerWaalsContact CE-NE2 3.33Å; K198-Q410 HydrophobicContact CG-CG 4.47Å
199	A	45.2	Very low	73.4	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.008	12%	0.119	C	C	.	.			trans	-102.5	102.4	-171.6	0	0	0	0	0	112.4	M195 A196 T269 A271	M195-A199 WeakPolarHBondContact O-CB 3.26Å; A196-A199 PolarHBondContact O-N 3.35Å; A199-T269 HydrophobicContact CB-CG2 3.76Å; A199-A271 WeakPolarHBondContact O-CB 3.32Å
200	G	61.3	Low	73.6	Confident	27 Å²	27	22.8 Å²	22.8	28%	0.278	13%	0.131	S	C	.	.			trans	-51	160.8	137.3	0	0	0	0	0	110.2	C202 T269	G200-C202 PolarHBondContact O-N 2.91Å; G200-T269 PolarHBondContact O-OG1 3.21Å
201	G	76	Confident	74	Confident	6 Å²	6	21.8 Å²	21.8	6%	0.062	13%	0.127	C	C	.	.	S	Bend	trans	-72	104.9	-177.8	0	0	0	0	0	111.5	T269 H272 A332	G201-T269 WeakPolarHBondContact CA-OG1 3.4Å; G201-H272 WeakPolarHBondContact CA-ND1 3.4Å; G201-H272 PolarHBondContact O-CE1 2.95Å; G201-H272 VanDerWaalsContact O-CE1 3.28Å; G201-H272 PolarHBondContact O-ND1 3.49Å; G201-A332 VanDerWaalsContact O-CB 3.28Å; G201-A332 WeakPolarHBondContact O-CB 3.16Å
202	C	91.1	Very high	74.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.			trans	-119.9	158.8	178.1	-62.5	0	0	0	0	112.4	G200 D246 T269 H272 A330 F331	G200-C202 PolarHBondContact O-N 2.91Å; C202-D246 PolarHBondContact SG-OD2 3.12Å; C202-D246 VanDerWaalsContact SG-OD2 3.34Å; C202-T269 HydrophobicContact CB-CG2 4.16Å; C202-T269 PolarHBondContact N-OG1 3.05Å; C202-T269 PolarHBondContact O-N 2.89Å; C202-T269 PolarHBondContact O-OG1 2.76Å; C202-H272 PolarHBondContact N-ND1 3.28Å; C202-H272 PolarHBondContact O-ND1 3.12Å; C202-A330 HydrophobicContact CB-CB 3.68Å; C202-F331 WeakPolarHBondContact CA-O 3.36Å
203	F	95.1	Very high	75.8	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-105.7	153.5	166.6	-58.1	-74.2	0	0	0	110.1	A207 M219 F255 L266 L268 H272 A330 F331 P333 I340 V342 A347	F203-A207 HydrophobicContact CB-CB 4.35Å; F203-M219 HydrophobicContact CB-CE 3.85Å; F203-M219 HydrophobicContact CB-CG 4.16Å; F203-M219 HydrophobicContact CD2-CE 3.75Å; F203-M219 HydrophobicContact CD2-SD 4.46Å; F203-M219 HydrophobicContact CG-CE 3.89Å; F203-F255 VanDerWaalsContact C-CE1 3.5Å; F203-L266 HydrophobicContact CD1-CD1 4.35Å; F203-L266 HydrophobicContact CE1-CD1 4.18Å; F203-L268 HydrophobicContact CD1-CB 3.98Å; F203-L268 HydrophobicContact CE1-CB 4.05Å; F203-H272 AromaticContact CD2-CE1 3.77Å; F203-H272 AromaticContact CE1-CE1 3.75Å; F203-H272 AromaticContact CE1-NE2 3.91Å; F203-H272 AromaticContact CE2-CE1 3.2Å; F203-H272 WeakPolarHBondContact CE2-CE1 3.46Å; F203-H272 AromaticContact CE2-NE2 3.58Å; F203-H272 AromaticContact CZ-CE1 3.18Å; F203-H272 WeakPolarHBondContact CZ-CE1 3.03Å; F203-H272 AromaticContact CZ-NE2 3.19Å; F203-H272 WeakPolarHBondContact CZ-NE2 3.45Å; F203-A330 WeakPolarHBondContact O-CA 3.45Å; F203-F331 PolarHBondContact N-O 3.2Å; F203-F331 PolarHBondContact O-N 2.59Å; F203-P333 HydrophobicContact CD2-CG 4.39Å; F203-P333 HydrophobicContact CE2-CG 4.48Å; F203-I340 HydrophobicContact CE2-CG2 3.95Å; F203-I340 HydrophobicContact CZ-CG2 4.05Å; F203-V342 HydrophobicContact CD1-CB 4.2Å; F203-V342 HydrophobicContact CD1-CG1 3.89Å; F203-V342 HydrophobicContact CD1-CG2 4.05Å; F203-V342 HydrophobicContact CD2-CG2 4.19Å; F203-V342 HydrophobicContact CE1-CB 4.02Å; F203-V342 HydrophobicContact CE1-CG1 4.24Å; F203-V342 HydrophobicContact CE1-CG2 3.76Å; F203-V342 HydrophobicContact CE2-CG2 3.89Å; F203-V342 HydrophobicContact CG-CG1 4.29Å; F203-V342 HydrophobicContact CG-CG2 4.26Å; F203-V342 HydrophobicContact CZ-CB 4.42Å; F203-V342 HydrophobicContact CZ-CG2 3.68Å; F203-A347 HydrophobicContact CE1-CB 4.01Å; F203-A347 HydrophobicContact CZ-CB 3.67Å
204	P	95	Very high	77.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	19%	0.189	C	C	.	.			trans	-73.5	158	176.9	31.7	-34.7	0	0	0	111.7	N206 A207 M219 F255 A267 S327 G329	P204-N206 VanDerWaalsContact CB-OD1 3.3Å; P204-N206 WeakPolarHBondContact CB-OD1 3.32Å; P204-N206 WeakPolarHBondContact CG-OD1 3.46Å; P204-N206 PolarHBondContact O-N 3.18Å; P204-A207 HydrophobicContact CG-CB 3.96Å; P204-A207 WeakPolarHBondContact O-CB 3.25Å; P204-A207 PolarHBondContact O-N 3.15Å; P204-A207 VanDerWaalsContact O-N 3.11Å; P204-M219 WeakPolarHBondContact O-CB 3.41Å; P204-F255 HydrophobicContact CB-CD1 4.38Å; P204-F255 HydrophobicContact CB-CD2 4.09Å; P204-F255 HydrophobicContact CB-CE1 4.02Å; P204-F255 HydrophobicContact CB-CE2 3.65Å; P204-F255 HydrophobicContact CB-CG 4.43Å; P204-F255 HydrophobicContact CB-CZ 3.64Å; P204-F255 HydrophobicContact CG-CD1 4.33Å; P204-F255 HydrophobicContact CG-CE1 4.3Å; P204-F255 HydrophobicContact CG-CZ 4.4Å; P204-F255 VanDerWaalsContact N-CE1 3.33Å; P204-A267 WeakPolarHBondContact CD-O 3.49Å; P204-A267 HydrophobicContact CG-CB 3.95Å; P204-S327 WeakPolarHBondContact CB-OG 3.21Å; P204-G329 WeakPolarHBondContact CA-O 3.45Å
205	G	95.1	Very high	79.8	Confident	8 Å²	8	31.4 Å²	31.4	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.8	-178.2	0	0	0	0	0	114.5	M219 S220 R328 F331	G205-M219 PolarHBondContact O-N 2.77Å; G205-S220 WeakPolarHBondContact O-CB 3.41Å; G205-S220 PolarHBondContact O-N 2.7Å; G205-S220 PolarHBondContact O-OG 2.95Å; G205-R328 PolarHBondContact N-O 2.95Å; G205-R328 VanDerWaalsContact N-O 3.08Å; G205-F331 VanDerWaalsContact CA-CE2 3.45Å
206	N	95.4	Very high	82.3	Confident	118 Å²	118	38.3 Å²	38.3	63%	0.631	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.6	178.5	69.5	-25.2	0	0	0	114.4	P204 S327	P204-N206 VanDerWaalsContact CB-OD1 3.3Å; P204-N206 WeakPolarHBondContact CB-OD1 3.32Å; P204-N206 WeakPolarHBondContact CG-OD1 3.46Å; P204-N206 PolarHBondContact O-N 3.18Å; N206-S327 PolarHBondContact OD1-OG 2.67Å
207	A	97	Very high	85.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.008	24%	0.238	C	C	.	.			trans	-62.8	153.1	172.5	0	0	0	0	0	110.4	F203 P204 S218 M219 V342	F203-A207 HydrophobicContact CB-CB 4.35Å; P204-A207 HydrophobicContact CG-CB 3.96Å; P204-A207 WeakPolarHBondContact O-CB 3.25Å; P204-A207 PolarHBondContact O-N 3.15Å; P204-A207 VanDerWaalsContact O-N 3.11Å; A207-S218 CarbonylContact O-C 3.57Å; A207-S218 WeakPolarHBondContact O-CA 3.36Å; A207-M219 HydrophobicContact CB-CB 4.22Å; A207-M219 HydrophobicContact CB-CE 4.48Å; A207-M219 WeakPolarHBondContact O-CB 3.46Å; A207-M219 PolarHBondContact O-N 2.86Å; A207-V342 HydrophobicContact CB-CG1 3.64Å
208	S	97.4	Very high	87.9	Confident	22 Å²	22	43.3 Å²	43.3	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.9	-175.9	68	0	0	0	0	112.6	R217 V342 D343	S208-R217 CarbonylContact C-O 3.52Å; S208-R217 WeakPolarHBondContact CA-O 3.45Å; S208-V342 CarbonylContact O-C 3.55Å; S208-V342 WeakPolarHBondContact O-CA 3.22Å; S208-D343 WeakPolarHBondContact CB-OD1 3.27Å; S208-D343 PolarHBondContact N-OD1 3.06Å; S208-D343 PolarHBondContact O-N 3.32Å; S208-D343 PolarHBondContact OG-OD1 2.93Å
209	V	97.8	Very high	90.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.2	172.6	-61.7	0	0	0	0	109.6	R216 R217 M219 L222 V228 I340 V342	V209-R216 CarbonylContact O-C 3.42Å; V209-R216 WeakPolarHBondContact O-CA 3.32Å; V209-R217 HydrophobicContact CG2-CB 4.38Å; V209-R217 PolarHBondContact N-O 2.86Å; V209-R217 PolarHBondContact O-N 3.02Å; V209-M219 HydrophobicContact CG1-CE 3.59Å; V209-M219 HydrophobicContact CG1-SD 4.47Å; V209-L222 HydrophobicContact CG2-CD1 3.79Å; V209-L222 HydrophobicContact CG2-CD2 4.2Å; V209-V228 HydrophobicContact CB-CG1 4.18Å; V209-V228 HydrophobicContact CG2-CG1 3.8Å; V209-I340 HydrophobicContact CG1-CD1 3.9Å; V209-I340 HydrophobicContact CG1-CG1 4.29Å; V209-V342 HydrophobicContact CG1-CG2 4.07Å
210	M	97.4	Very high	92.8	Very high	48 Å²	48	43.1 Å²	43.1	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.7	176.2	-172.2	166.7	74.1	0	0	110.3	V228 L229 F238	M210-V228 CarbonylContact O-C 3.51Å; M210-V228 VanDerWaalsContact O-CA 3.3Å; M210-V228 WeakPolarHBondContact O-CA 3.39Å; M210-L229 HydrophobicContact CB-CB 4.24Å; M210-L229 HydrophobicContact CE-CB 4.2Å; M210-L229 HydrophobicContact CE-CD1 4.04Å; M210-L229 HydrophobicContact CE-CD2 3.57Å; M210-L229 HydrophobicContact CE-CG 4.13Å; M210-L229 PolarHBondContact O-N 2.98Å; M210-F238 HydrophobicContact CE-CZ 4.26Å
211	L	97.4	Very high	94.5	Very high	12 Å²	12	44 Å²	44	6%	0.063	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-87.1	158.6	177.7	-61.9	178.6	0	0	0	112	G213 G214 T215 R217 L222 D226 R227 V228 F238	L211-G213 PolarHBondContact O-N 3.3Å; L211-G213 VanDerWaalsContact O-N 3.16Å; L211-G214 PolarHBondContact O-N 2.76Å; L211-T215 PolarHBondContact N-O 3.5Å; L211-R217 HydrophobicContact CD1-CB 3.95Å; L211-R217 VanDerWaalsContact CD1-CZ 3.43Å; L211-R217 HydrophobicContact CD2-CB 4.41Å; L211-R217 HydrophobicContact CG-CB 4.11Å; L211-L222 HydrophobicContact CD2-CD1 4.42Å; L211-D226 HydrophobicContact CD2-CB 3.98Å; L211-R227 CarbonylContact C-O 3.59Å; L211-R227 WeakPolarHBondContact CA-O 3.09Å; L211-V228 HydrophobicContact CD2-CG1 3.9Å; L211-F238 VanDerWaalsContact O-CE1 3.27Å; L211-F238 WeakPolarHBondContact O-CE1 3.42Å
212	E	94.6	Very high	95.4	Very high	94 Å²	94	43.7 Å²	43.7	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	113.3	166.6	-167.7	173.3	-135.5	0	0	108.6	R227 F238	E212-R227 HydrophobicContact CB-CB 3.91Å; E212-R227 VanDerWaalsContact CD-CZ 3.41Å; E212-R227 PolarHBondContact N-O 3.5Å; E212-R227 IonicContact OE1-CZ 3.05Å; E212-R227 IonicContact OE1-NE 3.91Å; E212-R227 IonicContact OE1-NH1 2.72Å; E212-R227 PolarHBondContact OE1-NH1 2.78Å; E212-R227 IonicContact OE1-NH2 3.18Å; E212-R227 PolarHBondContact OE1-NH2 3.36Å; E212-R227 WeakPolarHBondContact OE2-CD 3.14Å; E212-R227 IonicContact OE2-CZ 3.09Å; E212-R227 IonicContact OE2-NE 3.29Å; E212-R227 PolarHBondContact OE2-NE 3.45Å; E212-R227 IonicContact OE2-NH1 2.7Å; E212-R227 PolarHBondContact OE2-NH1 2.92Å; E212-R227 IonicContact OE2-NH2 3.94Å; E212-F238 HydrophobicContact CB-CB 4.1Å; E212-F238 HydrophobicContact CB-CD1 3.72Å; E212-F238 HydrophobicContact CB-CD2 4.27Å; E212-F238 HydrophobicContact CB-CE1 4.21Å; E212-F238 HydrophobicContact CB-CG 3.76Å; E212-F238 HydrophobicContact CG-CB 4.16Å; E212-F238 HydrophobicContact CG-CD1 4.34Å; E212-F238 HydrophobicContact CG-CD2 3.99Å; E212-F238 HydrophobicContact CG-CG 3.9Å; E212-F238 VanDerWaalsContact N-CE1 3.34Å
213	G	90.4	Very high	95.6	Very high	73 Å²	73	50 Å²	50	75%	0.753	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.4	-3.8	-166.6	0	0	0	0	0	114.1	L211 T215	L211-G213 PolarHBondContact O-N 3.3Å; L211-G213 VanDerWaalsContact O-N 3.16Å; G213-T215 VanDerWaalsContact C-N 3.3Å; G213-T215 PolarHBondContact O-N 2.94Å
214	G	91.1	Very high	95.4	Very high	49 Å²	49	51.7 Å²	51.7	51%	0.505	30%	0.299	S	S	.	.	S	Bend	trans	84.4	-5.6	169.6	0	0	0	0	0	115.3	L211	L211-G214 PolarHBondContact O-N 2.76Å
215	T	95	Very high	95.3	Very high	86 Å²	86	53.5 Å²	53.5	53%	0.528	32%	0.317	S	S	.	.			trans	-73.6	146.6	175.3	57.9	0	0	0	0	111.1	L211 G213	L211-T215 PolarHBondContact N-O 3.5Å; G213-T215 VanDerWaalsContact C-N 3.3Å; G213-T215 PolarHBondContact O-N 2.94Å
216	R	96.3	Very high	95.3	Very high	174 Å²	174	54.5 Å²	54.5	66%	0.657	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.4	172.7	-67.9	-173.1	178.7	-154.7	2	110.4	V209	V209-R216 CarbonylContact O-C 3.42Å; V209-R216 WeakPolarHBondContact O-CA 3.32Å
217	R	97.1	Very high	95.5	Very high	83 Å²	83	54 Å²	54	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.5	175.6	-176.4	165	-70.9	169	7.3	110	S208 V209 L211 A221 D226	S208-R217 CarbonylContact C-O 3.52Å; S208-R217 WeakPolarHBondContact CA-O 3.45Å; V209-R217 HydrophobicContact CG2-CB 4.38Å; V209-R217 PolarHBondContact N-O 2.86Å; V209-R217 PolarHBondContact O-N 3.02Å; L211-R217 HydrophobicContact CD1-CB 3.95Å; L211-R217 VanDerWaalsContact CD1-CZ 3.43Å; L211-R217 HydrophobicContact CD2-CB 4.41Å; L211-R217 HydrophobicContact CG-CB 4.11Å; R217-A221 HydrophobicContact CG-CB 4.03Å; R217-D226 IonicContact CZ-OD1 3.1Å; R217-D226 IonicContact CZ-OD2 3.74Å; R217-D226 IonicContact NH1-OD1 3.48Å; R217-D226 PolarHBondContact NH1-OD1 2.63Å; R217-D226 IonicContact NH1-OD2 3.76Å; R217-D226 PolarHBondContact NH1-OD2 2.96Å
218	S	97.4	Very high	95.5	Very high	45 Å²	45	53.9 Å²	53.9	32%	0.315	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	150.7	173.3	67.2	0	0	0	0	110.7	A207 S220 A221 L222	A207-S218 CarbonylContact O-C 3.57Å; A207-S218 WeakPolarHBondContact O-CA 3.36Å; S218-S220 PolarHBondContact O-N 3.44Å; S218-S220 PolarHBondContact OG-OG 3.36Å; S218-A221 PolarHBondContact O-N 3.44Å; S218-A221 VanDerWaalsContact OG-CB 3.28Å; S218-A221 WeakPolarHBondContact OG-CB 3.22Å; S218-A221 PolarHBondContact OG-N 2.85Å; S218-L222 PolarHBondContact O-N 2.74Å
219	M	96.7	Very high	95.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61.5	-35.4	179.7	-167.1	64.5	68	0	0	111.4	F203 P204 G205 A207 V209 A221 L222 F331 P333 V342	F203-M219 HydrophobicContact CB-CE 3.85Å; F203-M219 HydrophobicContact CB-CG 4.16Å; F203-M219 HydrophobicContact CD2-CE 3.75Å; F203-M219 HydrophobicContact CD2-SD 4.46Å; F203-M219 HydrophobicContact CG-CE 3.89Å; P204-M219 WeakPolarHBondContact O-CB 3.41Å; G205-M219 PolarHBondContact O-N 2.77Å; A207-M219 HydrophobicContact CB-CB 4.22Å; A207-M219 HydrophobicContact CB-CE 4.48Å; A207-M219 WeakPolarHBondContact O-CB 3.46Å; A207-M219 PolarHBondContact O-N 2.86Å; V209-M219 HydrophobicContact CG1-CE 3.59Å; V209-M219 HydrophobicContact CG1-SD 4.47Å; M219-A221 VanDerWaalsContact C-N 3.3Å; M219-A221 PolarHBondContact O-N 3.29Å; M219-L222 WeakPolarHBondContact O-CB 3.43Å; M219-L222 PolarHBondContact O-N 3.18Å; M219-L222 HydrophobicContact SD-CD2 3.79Å; M219-F331 HydrophobicContact CG-CB 3.49Å; M219-F331 VanDerWaalsContact CG-CB 3.49Å; M219-F331 HydrophobicContact CG-CD2 4.14Å; M219-F331 HydrophobicContact CG-CG 3.93Å; M219-F331 HydrophobicContact SD-CB 4.33Å; M219-P333 HydrophobicContact CE-CG 4.38Å; M219-P333 HydrophobicContact SD-CG 3.74Å; M219-V342 HydrophobicContact CE-CB 4.49Å; M219-V342 HydrophobicContact CE-CG1 3.92Å; M219-V342 HydrophobicContact CE-CG2 3.7Å
220	S	95.1	Very high	95.5	Very high	55 Å²	55	53.2 Å²	53.2	39%	0.385	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64	-31.7	174.4	58.2	0	0	0	0	113.9	G205 S218	G205-S220 WeakPolarHBondContact O-CB 3.41Å; G205-S220 PolarHBondContact O-N 2.7Å; G205-S220 PolarHBondContact O-OG 2.95Å; S218-S220 PolarHBondContact O-N 3.44Å; S218-S220 PolarHBondContact OG-OG 3.36Å
221	A	95.8	Very high	95.2	Very high	45 Å²	45	51.7 Å²	51.7	37%	0.372	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-93.1	-6.8	-179.4	0	0	0	0	0	113.2	R217 S218 M219	R217-A221 HydrophobicContact CG-CB 4.03Å; S218-A221 PolarHBondContact O-N 3.44Å; S218-A221 VanDerWaalsContact OG-CB 3.28Å; S218-A221 WeakPolarHBondContact OG-CB 3.22Å; S218-A221 PolarHBondContact OG-N 2.85Å; M219-A221 VanDerWaalsContact C-N 3.3Å; M219-A221 PolarHBondContact O-N 3.29Å
222	L	95.6	Very high	94.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.			trans	-66	135.8	179.8	-172.8	64.9	0	0	0	110.9	V209 L211 S218 M219 D226 V228 V241 F244 P333	V209-L222 HydrophobicContact CG2-CD1 3.79Å; V209-L222 HydrophobicContact CG2-CD2 4.2Å; L211-L222 HydrophobicContact CD2-CD1 4.42Å; S218-L222 PolarHBondContact O-N 2.74Å; M219-L222 WeakPolarHBondContact O-CB 3.43Å; M219-L222 PolarHBondContact O-N 3.18Å; M219-L222 HydrophobicContact SD-CD2 3.79Å; L222-D226 HydrophobicContact CD1-CB 3.79Å; L222-D226 WeakPolarHBondContact CD1-OD2 3.33Å; L222-V228 HydrophobicContact CD1-CG1 3.68Å; L222-V241 HydrophobicContact CD1-CG2 4.22Å; L222-V241 HydrophobicContact CD2-CG2 4.1Å; L222-V241 HydrophobicContact CG-CG2 4.31Å; L222-F244 HydrophobicContact CB-CZ 4.09Å; L222-F244 HydrophobicContact CD2-CZ 4.24Å; L222-F244 HydrophobicContact CG-CZ 4.15Å; L222-F244 WeakPolarHBondContact O-CZ 3.15Å; L222-P333 HydrophobicContact CD2-CB 4.01Å; L222-P333 HydrophobicContact CD2-CG 4.3Å
223	K	94	Very high	94.5	Very high	134 Å²	134	55.7 Å²	55.7	58%	0.583	32%	0.322	S	S	*	.			trans	-123.2	149.2	-177.1	-62.4	-179.1	-176.1	-178.7	0	111.2	D226	K223-D226 PolarHBondContact N-OD2 2.85Å; K223-D226 VanDerWaalsContact O-CB 3.26Å; K223-D226 WeakPolarHBondContact O-CB 3.2Å; K223-D226 PolarHBondContact O-N 3.42Å; K223-D226 VanDerWaalsContact O-N 3.14Å
224	P	92.8	Very high	94.1	Very high	36 Å²	36	53.2 Å²	53.2	23%	0.234	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	140.8	165.2	-23.7	36.2	0	0	0	110.9	D226 V241 F244	P224-D226 VanDerWaalsContact C-N 3.35Å; P224-V241 CarbonylContact C-O 3.53Å; P224-V241 VanDerWaalsContact CA-O 3.31Å; P224-V241 WeakPolarHBondContact CA-O 3.19Å; P224-F244 HydrophobicContact CG-CD2 4.35Å; P224-F244 HydrophobicContact CG-CE2 4.33Å
225	G	92.4	Very high	94.1	Very high	38 Å²	38	54.5 Å²	54.5	39%	0.392	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-21	-172	0	0	0	0	0	114.3	R227 V241	G225-R227 PolarHBondContact O-N 2.69Å; G225-V241 PolarHBondContact N-O 3.34Å
226	D	95.6	Very high	94	Very high	29 Å²	29	52.1 Å²	52.1	16%	0.155	28%	0.282	C	S	.	.			trans	-62.5	135.5	173.5	-73.7	-27.5	0	0	0	110.3	L211 R217 L222 K223 P224 E240 V241	L211-D226 HydrophobicContact CD2-CB 3.98Å; R217-D226 IonicContact CZ-OD1 3.1Å; R217-D226 IonicContact CZ-OD2 3.74Å; R217-D226 IonicContact NH1-OD1 3.48Å; R217-D226 PolarHBondContact NH1-OD1 2.63Å; R217-D226 IonicContact NH1-OD2 3.76Å; R217-D226 PolarHBondContact NH1-OD2 2.96Å; L222-D226 HydrophobicContact CD1-CB 3.79Å; L222-D226 WeakPolarHBondContact CD1-OD2 3.33Å; K223-D226 PolarHBondContact N-OD2 2.85Å; K223-D226 VanDerWaalsContact O-CB 3.26Å; K223-D226 WeakPolarHBondContact O-CB 3.2Å; K223-D226 PolarHBondContact O-N 3.42Å; K223-D226 VanDerWaalsContact O-N 3.14Å; P224-D226 VanDerWaalsContact C-N 3.35Å; D226-E240 CarbonylContact O-C 3.59Å; D226-E240 WeakPolarHBondContact O-CA 3.11Å; D226-V241 WeakPolarHBondContact O-CG2 3.24Å; D226-V241 PolarHBondContact O-N 3.31Å
227	R	97.6	Very high	94	Very high	107 Å²	107	46.2 Å²	46.2	40%	0.404	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.1	174.8	-66.2	-170.2	62.9	-152.8	-5	109.6	L211 E212 G225 F238 S239 E240	L211-R227 CarbonylContact C-O 3.59Å; L211-R227 WeakPolarHBondContact CA-O 3.09Å; E212-R227 HydrophobicContact CB-CB 3.91Å; E212-R227 VanDerWaalsContact CD-CZ 3.41Å; E212-R227 PolarHBondContact N-O 3.5Å; E212-R227 IonicContact OE1-CZ 3.05Å; E212-R227 IonicContact OE1-NE 3.91Å; E212-R227 IonicContact OE1-NH1 2.72Å; E212-R227 PolarHBondContact OE1-NH1 2.78Å; E212-R227 IonicContact OE1-NH2 3.18Å; E212-R227 PolarHBondContact OE1-NH2 3.36Å; E212-R227 WeakPolarHBondContact OE2-CD 3.14Å; E212-R227 IonicContact OE2-CZ 3.09Å; E212-R227 IonicContact OE2-NE 3.29Å; E212-R227 PolarHBondContact OE2-NE 3.45Å; E212-R227 IonicContact OE2-NH1 2.7Å; E212-R227 PolarHBondContact OE2-NH1 2.92Å; E212-R227 IonicContact OE2-NH2 3.94Å; G225-R227 PolarHBondContact O-N 2.69Å; R227-F238 HydrophobicContact CB-CB 4.49Å; R227-F238 PolarHBondContact NH2-O 3.35Å; R227-S239 WeakPolarHBondContact CA-O 3.47Å; R227-E240 HydrophobicContact CG-CB 4.27Å
228	V	97.9	Very high	94.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	154.3	-175	-64.4	0	0	0	0	111.7	V209 M210 L211 L222 A230 F238 S239 V241 T335 I340	V209-V228 HydrophobicContact CB-CG1 4.18Å; V209-V228 HydrophobicContact CG2-CG1 3.8Å; M210-V228 CarbonylContact O-C 3.51Å; M210-V228 VanDerWaalsContact O-CA 3.3Å; M210-V228 WeakPolarHBondContact O-CA 3.39Å; L211-V228 HydrophobicContact CD2-CG1 3.9Å; L222-V228 HydrophobicContact CD1-CG1 3.68Å; V228-A230 PolarHBondContact O-N 3.46Å; V228-F238 CarbonylContact O-C 3.59Å; V228-F238 WeakPolarHBondContact O-CA 3.19Å; V228-S239 PolarHBondContact N-O 2.86Å; V228-S239 PolarHBondContact O-N 2.96Å; V228-V241 HydrophobicContact CB-CG2 4.4Å; V228-V241 HydrophobicContact CG1-CG2 3.82Å; V228-V241 HydrophobicContact CG2-CG2 3.68Å; V228-T335 HydrophobicContact CG2-CG2 3.72Å; V228-I340 HydrophobicContact CG2-CD1 4Å; V228-I340 HydrophobicContact CG2-CG1 4.05Å
229	L	97.7	Very high	94	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	130.5	173.3	-168.2	73.3	0	0	0	110.3	M210 L236 F238 E309 M341	M210-L229 HydrophobicContact CB-CB 4.24Å; M210-L229 HydrophobicContact CE-CB 4.2Å; M210-L229 HydrophobicContact CE-CD1 4.04Å; M210-L229 HydrophobicContact CE-CD2 3.57Å; M210-L229 HydrophobicContact CE-CG 4.13Å; M210-L229 PolarHBondContact O-N 2.98Å; L229-L236 HydrophobicContact CD1-CB 4.01Å; L229-L236 HydrophobicContact CD2-CD1 4.29Å; L229-L236 HydrophobicContact CD2-CD2 4.36Å; L229-F238 HydrophobicContact CB-CD1 4.48Å; L229-F238 HydrophobicContact CB-CE1 4.09Å; L229-F238 HydrophobicContact CD1-CE1 4.11Å; L229-F238 HydrophobicContact CD1-CE2 4.47Å; L229-F238 HydrophobicContact CD1-CZ 4.08Å; L229-E309 HydrophobicContact CD2-CB 4.23Å; L229-E309 HydrophobicContact CD2-CG 3.84Å; L229-M341 HydrophobicContact CB-CB 4.03Å; L229-M341 HydrophobicContact CB-CG 4.39Å; L229-M341 HydrophobicContact CD2-CB 3.87Å; L229-M341 HydrophobicContact CD2-CG 3.67Å; L229-M341 HydrophobicContact CG-CB 4.07Å; L229-M341 HydrophobicContact CG-CG 3.9Å; L229-M341 WeakPolarHBondContact O-CB 3.27Å; L229-M341 PolarHBondContact O-N 2.85Å
230	A	96.7	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	170.8	-178.5	0	0	0	0	0	110.2	V228 L236 V237 T339	V228-A230 PolarHBondContact O-N 3.46Å; A230-L236 WeakPolarHBondContact O-CA 3.06Å; A230-V237 HydrophobicContact CB-CG2 4.35Å; A230-V237 PolarHBondContact N-O 3.38Å; A230-V237 PolarHBondContact O-N 2.91Å; A230-T339 VanDerWaalsContact CB-O 3.31Å; A230-T339 WeakPolarHBondContact CB-O 3.45Å
231	L	92.9	Very high	94	Very high	15 Å²	15	44 Å²	44	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.1	-177.6	-172.8	80.1	0	0	0	110.8	L236 L307 A314 T339 M341 A346	L231-L236 HydrophobicContact CD1-CD2 3.84Å; L231-L307 HydrophobicContact CD2-CD1 3.32Å; L231-A314 HydrophobicContact CD1-CB 3.6Å; L231-T339 PolarHBondContact N-OG1 2.87Å; L231-T339 WeakPolarHBondContact O-CB 3.49Å; L231-T339 WeakPolarHBondContact O-CG2 3.41Å; L231-T339 PolarHBondContact O-OG1 2.76Å; L231-M341 HydrophobicContact CD1-CE 4.47Å; L231-A346 HydrophobicContact CB-CB 4.47Å; L231-A346 HydrophobicContact CD2-CB 4.06Å
232	V	91.1	Very high	93.8	Very high	38 Å²	38	42.3 Å²	42.3	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.3	175.6	177.9	0	0	0	0	108.9	G234 S235 V237 Q337	V232-G234 PolarHBondContact O-N 2.82Å; V232-G234 VanDerWaalsContact O-N 3.1Å; V232-S235 PolarHBondContact N-O 3.42Å; V232-S235 WeakPolarHBondContact O-CB 3.37Å; V232-S235 PolarHBondContact O-N 3.42Å; V232-V237 HydrophobicContact CB-CG2 4.19Å; V232-V237 HydrophobicContact CG2-CG2 3.56Å; V232-Q337 HydrophobicContact CG2-CB 3.7Å; V232-Q337 VanDerWaalsContact CG2-CD 3.49Å; V232-Q337 HydrophobicContact CG2-CG 3.45Å; V232-Q337 VanDerWaalsContact CG2-CG 3.45Å
233	N	84.4	Confident	93.6	Very high	152 Å²	152	42.6 Å²	42.6	81%	0.813	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	38	178.6	-60	-26.2	0	0	0	113.5	S235	N233-S235 VanDerWaalsContact C-N 3.26Å; N233-S235 PolarHBondContact O-N 3.47Å
234	G	83.5	Confident	93.4	Very high	22 Å²	22	36.9 Å²	36.9	23%	0.227	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.3	-178.6	0	0	0	0	0	115.2	V232	V232-G234 PolarHBondContact O-N 2.82Å; V232-G234 VanDerWaalsContact O-N 3.1Å
235	S	89.8	Confident	93.2	Very high	75 Å²	75	35.7 Å²	35.7	52%	0.524	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.1	176.3	-59.7	0	0	0	0	111.3	V232 N233	V232-S235 PolarHBondContact N-O 3.42Å; V232-S235 WeakPolarHBondContact O-CB 3.37Å; V232-S235 PolarHBondContact O-N 3.42Å; N233-S235 VanDerWaalsContact C-N 3.26Å; N233-S235 PolarHBondContact O-N 3.47Å
236	L	94.4	Very high	92.8	Very high	37 Å²	37	34.6 Å²	34.6	19%	0.194	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.7	176.9	-62.7	-178.3	0	0	0	110.5	L229 A230 L231 E309 A314 M341	L229-L236 HydrophobicContact CD1-CB 4.01Å; L229-L236 HydrophobicContact CD2-CD1 4.29Å; L229-L236 HydrophobicContact CD2-CD2 4.36Å; A230-L236 WeakPolarHBondContact O-CA 3.06Å; L231-L236 HydrophobicContact CD1-CD2 3.84Å; L236-E309 HydrophobicContact CD1-CB 4.36Å; L236-E309 HydrophobicContact CD1-CG 3.64Å; L236-A314 HydrophobicContact CD2-CB 4.07Å; L236-A314 HydrophobicContact CG-CB 4.33Å; L236-M341 HydrophobicContact CD2-CE 3.39Å; L236-M341 HydrophobicContact CD2-CG 4.46Å
237	V	96.5	Very high	92.4	Very high	49 Å²	49	35.5 Å²	35.5	30%	0.297	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.7	179.6	-60.1	0	0	0	0	110.3	A230 V232 Q337	A230-V237 HydrophobicContact CB-CG2 4.35Å; A230-V237 PolarHBondContact N-O 3.38Å; A230-V237 PolarHBondContact O-N 2.91Å; V232-V237 HydrophobicContact CB-CG2 4.19Å; V232-V237 HydrophobicContact CG2-CG2 3.56Å; V237-Q337 HydrophobicContact CG2-CG 4.25Å
238	F	97.4	Very high	91.8	Very high	64 Å²	64	31.6 Å²	31.6	28%	0.281	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.3	169.9	-72.9	-75.5	0	0	0	110.7	M210 L211 E212 R227 V228 L229	M210-F238 HydrophobicContact CE-CZ 4.26Å; L211-F238 VanDerWaalsContact O-CE1 3.27Å; L211-F238 WeakPolarHBondContact O-CE1 3.42Å; E212-F238 HydrophobicContact CB-CB 4.1Å; E212-F238 HydrophobicContact CB-CD1 3.72Å; E212-F238 HydrophobicContact CB-CD2 4.27Å; E212-F238 HydrophobicContact CB-CE1 4.21Å; E212-F238 HydrophobicContact CB-CG 3.76Å; E212-F238 HydrophobicContact CG-CB 4.16Å; E212-F238 HydrophobicContact CG-CD1 4.34Å; E212-F238 HydrophobicContact CG-CD2 3.99Å; E212-F238 HydrophobicContact CG-CG 3.9Å; E212-F238 VanDerWaalsContact N-CE1 3.34Å; R227-F238 HydrophobicContact CB-CB 4.49Å; R227-F238 PolarHBondContact NH2-O 3.35Å; V228-F238 CarbonylContact O-C 3.59Å; V228-F238 WeakPolarHBondContact O-CA 3.19Å; L229-F238 HydrophobicContact CB-CD1 4.48Å; L229-F238 HydrophobicContact CB-CE1 4.09Å; L229-F238 HydrophobicContact CD1-CE1 4.11Å; L229-F238 HydrophobicContact CD1-CE2 4.47Å; L229-F238 HydrophobicContact CD1-CZ 4.08Å
239	S	96.9	Very high	91.3	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.1	179.4	-175.6	0	0	0	0	110.9	R227 V228 R336 Q337	R227-S239 WeakPolarHBondContact CA-O 3.47Å; V228-S239 PolarHBondContact N-O 2.86Å; V228-S239 PolarHBondContact O-N 2.96Å; S239-R336 WeakPolarHBondContact OG-CB 3.01Å; S239-R336 PolarHBondContact OG-N 3.26Å; S239-Q337 PolarHBondContact OG-N 3.47Å
240	E	95.7	Very high	90.5	Very high	70 Å²	70	37 Å²	37	33%	0.327	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	136.7	171.1	-171	-174.8	165.9	0	0	111.3	D226 R227 T335 R336	D226-E240 CarbonylContact O-C 3.59Å; D226-E240 WeakPolarHBondContact O-CA 3.11Å; R227-E240 HydrophobicContact CG-CB 4.27Å; E240-T335 CarbonylContact O-C 3.46Å; E240-T335 VanDerWaalsContact O-CA 3.24Å; E240-T335 WeakPolarHBondContact O-CA 3.44Å; E240-R336 PolarHBondContact O-N 3.38Å
241	V	95.4	Very high	89.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.1	165.6	179.4	0	0	0	0	107.8	L222 P224 G225 D226 V228 P333 T335	L222-V241 HydrophobicContact CD1-CG2 4.22Å; L222-V241 HydrophobicContact CD2-CG2 4.1Å; L222-V241 HydrophobicContact CG-CG2 4.31Å; P224-V241 CarbonylContact C-O 3.53Å; P224-V241 VanDerWaalsContact CA-O 3.31Å; P224-V241 WeakPolarHBondContact CA-O 3.19Å; G225-V241 PolarHBondContact N-O 3.34Å; D226-V241 WeakPolarHBondContact O-CG2 3.24Å; D226-V241 PolarHBondContact O-N 3.31Å; V228-V241 HydrophobicContact CB-CG2 4.4Å; V228-V241 HydrophobicContact CG1-CG2 3.82Å; V228-V241 HydrophobicContact CG2-CG2 3.68Å; V241-P333 HydrophobicContact CG1-CB 4.14Å; V241-T335 HydrophobicContact CG2-CG2 4.34Å
242	M	91.1	Very high	88.6	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.044	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-45.2	-173.8	-54.7	-179.6	67.2	0	0	111.6	L334 R336 R367 H370	M242-L334 PolarHBondContact N-O 3.44Å; M242-R336 HydrophobicContact CG-CB 4.43Å; M242-R336 WeakPolarHBondContact SD-CA 3.49Å; M242-R336 HydrophobicContact SD-CB 3.99Å; M242-R336 HydrophobicContact SD-CG 4.19Å; M242-R367 HydrophobicContact CE-CB 3.92Å; M242-R367 HydrophobicContact CE-CG 4.05Å; M242-R367 WeakPolarHBondContact CE-O 3.35Å; M242-R367 HydrophobicContact SD-CB 4.16Å; M242-R367 HydrophobicContact SD-CG 3.72Å; M242-H370 HydrophobicContact CE-CB 3.29Å; M242-H370 PolarHBondContact O-CE1 2.92Å
243	T	90.9	Very high	87.8	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	179.2	-178.2	-170.3	0	0	0	0	109.9	L334 L366	T243-L334 HydrophobicContact CG2-CB 4.23Å; T243-L334 HydrophobicContact CG2-CD2 4.22Å; T243-L334 PolarHBondContact O-N 3.14Å; T243-L366 HydrophobicContact CG2-CD2 4.5Å
244	F	90.2	Very high	87.3	Confident	14 Å²	14	37.4 Å²	37.4	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.4	168.5	-71.8	-98.1	0	0	0	109.3	L222 P224 D246 R247 F331 A332 P333	L222-F244 HydrophobicContact CB-CZ 4.09Å; L222-F244 HydrophobicContact CD2-CZ 4.24Å; L222-F244 HydrophobicContact CG-CZ 4.15Å; L222-F244 WeakPolarHBondContact O-CZ 3.15Å; P224-F244 HydrophobicContact CG-CD2 4.35Å; P224-F244 HydrophobicContact CG-CE2 4.33Å; F244-D246 VanDerWaalsContact C-N 3.29Å; F244-R247 HydrophobicContact CB-CB 4.12Å; F244-F331 HydrophobicContact CD1-CB 4.25Å; F244-F331 HydrophobicContact CD1-CD1 4.36Å; F244-F331 HydrophobicContact CE1-CB 4.07Å; F244-F331 HydrophobicContact CE1-CD1 4.08Å; F244-A332 CarbonylContact C-O 3.56Å; F244-A332 WeakPolarHBondContact CA-O 3.36Å; F244-P333 HydrophobicContact CD1-CB 4.19Å; F244-P333 HydrophobicContact CE1-CB 3.91Å; F244-P333 HydrophobicContact CZ-CB 4.42Å
245	L	88.2	Confident	87.3	Confident	12 Å²	12	36.5 Å²	36.5	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-28.4	174.2	-61.4	-173.8	0	0	0	112	A332 L334 C349 Y350 F363 L366 L383 H384 S387	L245-A332 HydrophobicContact CB-CB 4.05Å; L245-A332 PolarHBondContact N-O 3.03Å; L245-L334 HydrophobicContact CD2-CB 4.05Å; L245-L334 HydrophobicContact CD2-CD2 3.97Å; L245-L334 HydrophobicContact CD2-CG 4.49Å; L245-L334 HydrophobicContact CG-CB 4.01Å; L245-C349 WeakPolarHBondContact CD1-O 3.36Å; L245-Y350 HydrophobicContact CD1-CD1 4.23Å; L245-F363 HydrophobicContact CD1-CE1 4.06Å; L245-F363 HydrophobicContact CD1-CE2 4.38Å; L245-F363 HydrophobicContact CD1-CZ 3.89Å; L245-F363 HydrophobicContact CD2-CD1 4.06Å; L245-F363 HydrophobicContact CD2-CE1 3.47Å; L245-F363 VanDerWaalsContact CD2-CE1 3.47Å; L245-F363 HydrophobicContact CD2-CZ 4.09Å; L245-F363 HydrophobicContact CG-CE1 4.41Å; L245-L366 HydrophobicContact CD2-CD2 4.42Å; L245-L383 WeakPolarHBondContact O-CD1 3.43Å; L245-H384 WeakPolarHBondContact O-CB 3.46Å; L245-H384 PolarHBondContact O-N 2.89Å; L245-S387 PolarHBondContact O-OG 2.86Å
246	D	85.8	Confident	87.1	Confident	14 Å²	14	33.6 Å²	33.6	8%	0.075	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	140.7	174.2	-171.6	16.8	0	0	0	108.1	C202 F244 A332 L383	C202-D246 PolarHBondContact SG-OD2 3.12Å; C202-D246 VanDerWaalsContact SG-OD2 3.34Å; F244-D246 VanDerWaalsContact C-N 3.29Å; D246-A332 HydrophobicContact CB-CB 3.97Å; D246-A332 PolarHBondContact O-N 2.93Å; D246-L383 HydrophobicContact CB-CD1 4.13Å; D246-L383 PolarHBondContact OD1-N 2.82Å
247	R	86.5	Confident	86.9	Confident	48 Å²	48	32.6 Å²	32.6	18%	0.181	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	109.8	-179	-177.2	177.4	-178.6	120.8	4.6	109.6	F244 A330 F331 N381 S382	F244-R247 HydrophobicContact CB-CB 4.12Å; R247-A330 WeakPolarHBondContact CA-O 3.45Å; R247-F331 HydrophobicContact CG-CD1 3.94Å; R247-F331 HydrophobicContact CG-CE1 3.92Å; R247-N381 CarbonylContact O-C 3.58Å; R247-N381 WeakPolarHBondContact O-CA 3.03Å; R247-S382 PolarHBondContact O-N 3.24Å
248	D	85.6	Confident	86.8	Confident	26 Å²	26	30.3 Å²	30.3	14%	0.139	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	93.1	-179.5	173.8	-0.6	0	0	0	107.7	D250 T251 R253 G329 A330	D248-D250 VanDerWaalsContact C-N 3.31Å; D248-D250 PolarHBondContact O-N 2.81Å; D248-T251 VanDerWaalsContact CG-CB 3.46Å; D248-T251 VanDerWaalsContact OD1-CB 3.25Å; D248-T251 WeakPolarHBondContact OD1-CB 3.25Å; D248-T251 PolarHBondContact OD1-N 2.86Å; D248-T251 PolarHBondContact OD1-OG1 3.06Å; D248-T251 WeakPolarHBondContact OD2-CB 3.22Å; D248-T251 PolarHBondContact OD2-OG1 2.87Å; D248-R253 IonicContact OD2-CZ 3.52Å; D248-R253 IonicContact OD2-NE 3.35Å; D248-R253 IonicContact OD2-NH2 2.72Å; D248-R253 PolarHBondContact OD2-NH2 2.79Å; D248-G329 CarbonylContact O-C 3.34Å; D248-G329 WeakPolarHBondContact O-CA 3.42Å; D248-A330 HydrophobicContact CB-CB 4.38Å; D248-A330 PolarHBondContact N-O 2.83Å; D248-A330 PolarHBondContact O-N 3.31Å
249	P	87.2	Confident	86.7	Confident	37 Å²	37	31 Å²	31	24%	0.24	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-21	-168.8	27.9	-33.6	0	0	0	114	G329 F331	P249-G329 WeakPolarHBondContact O-CA 3.5Å; P249-F331 HydrophobicContact CB-CE1 4.5Å; P249-F331 HydrophobicContact CB-CZ 3.92Å
250	D	81.1	Confident	86.7	Confident	86 Å²	86	31 Å²	31	46%	0.46	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-25.5	-165.5	-69.8	-56.6	0	0	0	113.9	D248 P252 R328	D248-D250 VanDerWaalsContact C-N 3.31Å; D248-D250 PolarHBondContact O-N 2.81Å; D250-P252 WeakPolarHBondContact O-CD 3.28Å; D250-R328 PolarHBondContact O-NE 3.17Å; D250-R328 PolarHBondContact O-NH2 3.01Å; D250-R328 IonicContact OD1-CZ 3.78Å; D250-R328 IonicContact OD1-NH1 2.7Å; D250-R328 PolarHBondContact OD1-NH1 3.19Å; D250-R328 IonicContact OD1-NH2 3.84Å; D250-R328 PolarHBondContact OD1-NH2 2.58Å
251	T	74.1	Confident	86.7	Confident	58 Å²	58	30.3 Å²	30.3	36%	0.356	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.3	-172.8	-55.8	0	0	0	0	112.3	D248 R253 G329	D248-T251 VanDerWaalsContact CG-CB 3.46Å; D248-T251 VanDerWaalsContact OD1-CB 3.25Å; D248-T251 WeakPolarHBondContact OD1-CB 3.25Å; D248-T251 PolarHBondContact OD1-N 2.86Å; D248-T251 PolarHBondContact OD1-OG1 3.06Å; D248-T251 WeakPolarHBondContact OD2-CB 3.22Å; D248-T251 PolarHBondContact OD2-OG1 2.87Å; T251-R253 PolarHBondContact O-N 3.16Å; T251-G329 PolarHBondContact O-N 3.36Å; T251-G329 VanDerWaalsContact O-N 3.08Å
252	P	76.1	Confident	86.6	Confident	75 Å²	75	32.8 Å²	32.8	49%	0.487	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	120.1	170.9	-23.3	34.9	0	0	0	112.5	M195 D250 T326	M195-P252 WeakPolarHBondContact CE-O 3.41Å; D250-P252 WeakPolarHBondContact O-CD 3.28Å; P252-T326 HydrophobicContact CB-CG2 4.11Å
253	R	73.6	Confident	86.8	Confident	23 Å²	23	35 Å²	35	9%	0.087	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.3	171.2	-3.1	-168.3	172.9	-149.3	1	118.2	M195 K198 D248 T251 F255 T326 S327 A330	M195-R253 VanDerWaalsContact CE-CA 3.49Å; M195-R253 HydrophobicContact CE-CB 3.11Å; M195-R253 HydrophobicContact CE-CG 3.18Å; K198-R253 PolarHBondContact O-NH1 2.87Å; D248-R253 IonicContact OD2-CZ 3.52Å; D248-R253 IonicContact OD2-NE 3.35Å; D248-R253 IonicContact OD2-NH2 2.72Å; D248-R253 PolarHBondContact OD2-NH2 2.79Å; T251-R253 PolarHBondContact O-N 3.16Å; R253-F255 HydrophobicContact CB-CD2 4.45Å; R253-F255 HydrophobicContact CB-CE2 3.74Å; R253-F255 HydrophobicContact CB-CZ 3.88Å; R253-F255 WeakPolarHBondContact O-CD2 3.42Å; R253-T326 CarbonylContact O-C 3.5Å; R253-T326 WeakPolarHBondContact O-CA 3.5Å; R253-T326 WeakPolarHBondContact O-CG2 3.5Å; R253-S327 WeakPolarHBondContact CA-O 3.34Å; R253-S327 PolarHBondContact N-O 3.33Å; R253-S327 PolarHBondContact O-N 3.34Å; R253-A330 VanDerWaalsContact CD-CB 3.49Å; R253-A330 HydrophobicContact CG-CB 3.94Å
254	L	73.2	Confident	87.1	Confident	58 Å²	58	36.6 Å²	36.6	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.3	151.1	-64	169.5	0	0	0	109.2	M195 V324 T326	M195-L254 HydrophobicContact CB-CB 3.5Å; M195-L254 VanDerWaalsContact CB-CB 3.5Å; M195-L254 HydrophobicContact CB-CD1 3.88Å; M195-L254 HydrophobicContact CB-CG 3.65Å; M195-L254 VanDerWaalsContact CB-N 3.34Å; M195-L254 HydrophobicContact CG-CB 3.92Å; M195-L254 HydrophobicContact CG-CD1 3.97Å; M195-L254 HydrophobicContact CG-CG 3.56Å; L254-V324 HydrophobicContact CB-CG1 4.23Å; L254-V324 HydrophobicContact CD2-CG1 4.04Å; L254-T326 WeakPolarHBondContact CD2-OG1 3.25Å
255	F	83.9	Confident	87.4	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.2	178.4	-65.4	-86	0	0	0	109.9	F203 P204 R253 A267 L268 T269 V324 A325 G329	F203-F255 VanDerWaalsContact C-CE1 3.5Å; P204-F255 HydrophobicContact CB-CD1 4.38Å; P204-F255 HydrophobicContact CB-CD2 4.09Å; P204-F255 HydrophobicContact CB-CE1 4.02Å; P204-F255 HydrophobicContact CB-CE2 3.65Å; P204-F255 HydrophobicContact CB-CG 4.43Å; P204-F255 HydrophobicContact CB-CZ 3.64Å; P204-F255 HydrophobicContact CG-CD1 4.33Å; P204-F255 HydrophobicContact CG-CE1 4.3Å; P204-F255 HydrophobicContact CG-CZ 4.4Å; P204-F255 VanDerWaalsContact N-CE1 3.33Å; R253-F255 HydrophobicContact CB-CD2 4.45Å; R253-F255 HydrophobicContact CB-CE2 3.74Å; R253-F255 HydrophobicContact CB-CZ 3.88Å; R253-F255 WeakPolarHBondContact O-CD2 3.42Å; F255-A267 HydrophobicContact CB-CB 4.12Å; F255-L268 CarbonylContact C-O 3.51Å; F255-L268 WeakPolarHBondContact CA-O 3.31Å; F255-T269 HydrophobicContact CD1-CG2 4.03Å; F255-T269 HydrophobicContact CE1-CG2 3.75Å; F255-T269 HydrophobicContact CZ-CG2 4.45Å; F255-V324 WeakPolarHBondContact O-CA 3.44Å; F255-A325 PolarHBondContact N-O 3.34Å; F255-A325 PolarHBondContact O-N 3.24Å; F255-G329 WeakPolarHBondContact CZ-O 3.47Å
256	V	84.9	Confident	87.8	Confident	14 Å²	14	41.9 Å²	41.9	9%	0.085	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121	163.5	-178.9	0	0	0	0	106.8	L258 A267 L268 A270 V322 S323	V256-L258 HydrophobicContact CG1-CD2 3.87Å; V256-A267 WeakPolarHBondContact O-CA 3.44Å; V256-L268 PolarHBondContact N-O 2.87Å; V256-L268 PolarHBondContact O-N 3.02Å; V256-A270 HydrophobicContact CG2-CB 4.17Å; V256-V322 HydrophobicContact CG1-CG1 3.74Å; V256-S323 CarbonylContact C-O 3.58Å; V256-S323 WeakPolarHBondContact CA-O 3.46Å
257	S	90.8	Very high	88.2	Confident	15 Å²	15	42.2 Å²	42.2	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.5	175.7	-172	0	0	0	0	109.5	L266 V322 S323	S257-L266 CarbonylContact C-O 3.58Å; S257-L266 WeakPolarHBondContact CA-O 3.48Å; S257-V322 WeakPolarHBondContact O-CA 3.4Å; S257-S323 PolarHBondContact N-O 2.94Å; S257-S323 PolarHBondContact O-N 3.09Å
258	L	93.6	Very high	88.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.4	176.3	-55.3	-177.6	0	0	0	109.3	V256 R265 L266 L268 L274 A300 I319 V322	V256-L258 HydrophobicContact CG1-CD2 3.87Å; L258-R265 CarbonylContact O-C 3.45Å; L258-R265 VanDerWaalsContact O-CA 3.25Å; L258-R265 WeakPolarHBondContact O-CA 3.34Å; L258-L266 PolarHBondContact N-O 3.26Å; L258-L266 PolarHBondContact O-N 3.14Å; L258-L268 HydrophobicContact CD1-CD2 4.29Å; L258-L268 HydrophobicContact CG-CD2 4.42Å; L258-L274 HydrophobicContact CD1-CD1 3.31Å; L258-A300 HydrophobicContact CD1-CB 4.29Å; L258-A300 HydrophobicContact CD2-CB 3.83Å; L258-I319 HydrophobicContact CD1-CD1 4.34Å; L258-V322 HydrophobicContact CD2-CB 4.33Å; L258-V322 HydrophobicContact CD2-CG1 3.97Å; L258-V322 HydrophobicContact CD2-CG2 3.73Å
259	Q	96.5	Very high	88.6	Confident	78 Å²	78	38.7 Å²	38.7	36%	0.364	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.1	171	-172.4	170.1	16	0	0	109.4	R265 I319 V320 G321	Q259-R265 HydrophobicContact CG-CG 4.23Å; Q259-I319 CarbonylContact O-C 3.49Å; Q259-I319 WeakPolarHBondContact O-CA 3.36Å; Q259-V320 HydrophobicContact CB-CG2 4.18Å; Q259-V320 HydrophobicContact CG-CG2 3.89Å; Q259-V320 WeakPolarHBondContact O-CG2 3.39Å; Q259-V320 PolarHBondContact O-N 2.98Å; Q259-G321 PolarHBondContact N-O 3.38Å; Q259-G321 PolarHBondContact O-N 3.18Å
260	T	96.5	Very high	88.2	Confident	4 Å²	4	38 Å²	38	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	157.2	179.6	66.6	0	0	0	0	111.3	A262 G263 Q264 V306 V308 R318 V345	T260-A262 VanDerWaalsContact C-N 3.25Å; T260-A262 PolarHBondContact O-N 2.92Å; T260-G263 PolarHBondContact O-N 3.39Å; T260-G263 VanDerWaalsContact O-N 3.1Å; T260-Q264 PolarHBondContact N-O 2.96Å; T260-Q264 WeakPolarHBondContact OG1-CA 3.49Å; T260-Q264 WeakPolarHBondContact OG1-CB 3.43Å; T260-Q264 PolarHBondContact OG1-N 3.22Å; T260-Q264 PolarHBondContact OG1-O 3.36Å; T260-Q264 PolarHBondContact OG1-OE1 3.46Å; T260-V306 HydrophobicContact CG2-CG2 3.51Å; T260-V308 HydrophobicContact CG2-CG1 4.17Å; T260-R318 CarbonylContact C-O 3.58Å; T260-R318 VanDerWaalsContact CA-O 3.27Å; T260-R318 WeakPolarHBondContact CA-O 3.37Å; T260-V345 HydrophobicContact CG2-CG2 4.4Å
261	A	95.6	Very high	88.2	Confident	55 Å²	55	33.9 Å²	33.9	46%	0.455	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.4	177.3	0	0	0	0	0	112.3	G263 S317 R318 V320	A261-G263 PolarHBondContact O-N 3.41Å; A261-S317 PolarHBondContact N-OG 3.43Å; A261-R318 HydrophobicContact CB-CB 4.35Å; A261-R318 PolarHBondContact N-O 2.78Å; A261-V320 HydrophobicContact CB-CG1 3.8Å
262	A	94.1	Very high	89	Confident	53 Å²	53	31.1 Å²	31.1	44%	0.438	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	0.5	174.9	0	0	0	0	0	113.8	T260 Q264 V308 S317	T260-A262 VanDerWaalsContact C-N 3.25Å; T260-A262 PolarHBondContact O-N 2.92Å; A262-Q264 PolarHBondContact O-OE1 3.5Å; A262-V308 HydrophobicContact CB-CG2 4.41Å; A262-S317 WeakPolarHBondContact CB-OG 3.46Å; A262-S317 PolarHBondContact N-OG 2.86Å; A262-S317 VanDerWaalsContact N-OG 3.11Å
263	G	94.6	Very high	89.7	Confident	54 Å²	54	27.6 Å²	27.6	56%	0.557	17%	0.167	S	C	*	.	S	Bend	trans	96.7	-8.4	170.8	0	0	0	0	0	115.3	T260 A261	T260-G263 PolarHBondContact O-N 3.39Å; T260-G263 VanDerWaalsContact O-N 3.1Å; A261-G263 PolarHBondContact O-N 3.41Å
264	Q	96.2	Very high	90.6	Very high	39 Å²	39	26.5 Å²	26.5	18%	0.182	16%	0.163	C	C	.	.			trans	-67.9	145.8	175.2	-62.5	78.9	-0.2	0	0	111	T260 A262 V308 V345	T260-Q264 PolarHBondContact N-O 2.96Å; T260-Q264 WeakPolarHBondContact OG1-CA 3.49Å; T260-Q264 WeakPolarHBondContact OG1-CB 3.43Å; T260-Q264 PolarHBondContact OG1-N 3.22Å; T260-Q264 PolarHBondContact OG1-O 3.36Å; T260-Q264 PolarHBondContact OG1-OE1 3.46Å; A262-Q264 PolarHBondContact O-OE1 3.5Å; Q264-V308 HydrophobicContact CB-CG1 4.42Å; Q264-V308 HydrophobicContact CG-CB 4.46Å; Q264-V308 HydrophobicContact CG-CG1 4.26Å; Q264-V345 HydrophobicContact CB-CG2 3.76Å; Q264-V345 HydrophobicContact CG-CG2 4.48Å
265	R	96.9	Very high	91.5	Very high	137 Å²	137	25 Å²	25	52%	0.517	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.5	176.7	-63.4	-178.5	75	139.2	2.1	109.5	L258 Q259 D343	L258-R265 CarbonylContact O-C 3.45Å; L258-R265 VanDerWaalsContact O-CA 3.25Å; L258-R265 WeakPolarHBondContact O-CA 3.34Å; Q259-R265 HydrophobicContact CG-CG 4.23Å; R265-D343 WeakPolarHBondContact O-CB 3.4Å
266	L	97.1	Very high	91.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.2	178.7	175.8	67.3	0	0	0	110.1	F203 S257 L258 L268 L274 V342 V345	F203-L266 HydrophobicContact CD1-CD1 4.35Å; F203-L266 HydrophobicContact CE1-CD1 4.18Å; S257-L266 CarbonylContact C-O 3.58Å; S257-L266 WeakPolarHBondContact CA-O 3.48Å; L258-L266 PolarHBondContact N-O 3.26Å; L258-L266 PolarHBondContact O-N 3.14Å; L266-L268 HydrophobicContact CD2-CD1 4.26Å; L266-L268 HydrophobicContact CD2-CD2 3.85Å; L266-L268 HydrophobicContact CG-CD2 3.87Å; L266-L274 HydrophobicContact CD2-CD2 3.62Å; L266-V342 HydrophobicContact CD1-CB 3.71Å; L266-V342 HydrophobicContact CD1-CG1 3.75Å; L266-V342 WeakPolarHBondContact CD1-O 3.38Å; L266-V345 HydrophobicContact CB-CB 3.95Å; L266-V345 HydrophobicContact CB-CG1 4.32Å; L266-V345 HydrophobicContact CB-CG2 3.85Å; L266-V345 HydrophobicContact CD2-CB 3.87Å; L266-V345 HydrophobicContact CD2-CG1 3.69Å; L266-V345 HydrophobicContact CG-CB 4.33Å
267	A	94.7	Very high	91.9	Very high	20 Å²	20	24.5 Å²	24.5	17%	0.165	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.9	172.4	0	0	0	0	0	110.7	P204 F255 V256	P204-A267 WeakPolarHBondContact CD-O 3.49Å; P204-A267 HydrophobicContact CG-CB 3.95Å; F255-A267 HydrophobicContact CB-CB 4.12Å; V256-A267 WeakPolarHBondContact O-CA 3.44Å
268	L	92.6	Very high	91.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	153.6	-179.1	71.5	170.2	0	0	0	111.4	F203 F255 V256 L258 L266 H272 L274 A297	F203-L268 HydrophobicContact CD1-CB 3.98Å; F203-L268 HydrophobicContact CE1-CB 4.05Å; F255-L268 CarbonylContact C-O 3.51Å; F255-L268 WeakPolarHBondContact CA-O 3.31Å; V256-L268 PolarHBondContact N-O 2.87Å; V256-L268 PolarHBondContact O-N 3.02Å; L258-L268 HydrophobicContact CD1-CD2 4.29Å; L258-L268 HydrophobicContact CG-CD2 4.42Å; L266-L268 HydrophobicContact CD2-CD1 4.26Å; L266-L268 HydrophobicContact CD2-CD2 3.85Å; L266-L268 HydrophobicContact CG-CD2 3.87Å; L268-H272 HydrophobicContact CB-CB 4.22Å; L268-H272 HydrophobicContact CD1-CB 3.71Å; L268-H272 HydrophobicContact CG-CB 4.15Å; L268-L274 HydrophobicContact CD1-CD1 3.99Å; L268-L274 HydrophobicContact CD1-CD2 3.43Å; L268-L274 VanDerWaalsContact CD1-CD2 3.43Å; L268-L274 HydrophobicContact CD1-CG 3.63Å; L268-L274 HydrophobicContact CD2-CD1 4.19Å; L268-L274 HydrophobicContact CD2-CD2 4.45Å; L268-A297 HydrophobicContact CD1-CB 3.75Å; L268-A297 HydrophobicContact CD2-CB 3.93Å; L268-A297 HydrophobicContact CG-CB 3.6Å
269	T	86.6	Confident	90.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.			trans	-64.4	153.8	179.2	50.2	0	0	0	0	111.8	A199 G200 G201 C202 F255 A271 H272 A297	A199-T269 HydrophobicContact CB-CG2 3.76Å; G200-T269 PolarHBondContact O-OG1 3.21Å; G201-T269 WeakPolarHBondContact CA-OG1 3.4Å; C202-T269 HydrophobicContact CB-CG2 4.16Å; C202-T269 PolarHBondContact N-OG1 3.05Å; C202-T269 PolarHBondContact O-N 2.89Å; C202-T269 PolarHBondContact O-OG1 2.76Å; F255-T269 HydrophobicContact CD1-CG2 4.03Å; F255-T269 HydrophobicContact CE1-CG2 3.75Å; F255-T269 HydrophobicContact CZ-CG2 4.45Å; T269-A271 VanDerWaalsContact C-N 3.27Å; T269-A271 PolarHBondContact O-N 3.34Å; T269-H272 WeakPolarHBondContact O-CB 3.47Å; T269-H272 PolarHBondContact O-N 2.91Å; T269-A297 WeakPolarHBondContact O-CB 3.36Å
270	A	80.5	Confident	88.9	Confident	22 Å²	22	39 Å²	39	18%	0.182	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.4	-172.2	0	0	0	0	0	114.4	V256 H272 A297 G298 L406	V256-A270 HydrophobicContact CG2-CB 4.17Å; A270-H272 VanDerWaalsContact C-N 3.33Å; A270-A297 PolarHBondContact O-N 2.98Å; A270-G298 PolarHBondContact O-N 3.4Å; A270-L406 HydrophobicContact CB-CD1 4.28Å
271	A	80.6	Confident	88.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	1.5	-179.4	0	0	0	0	0	114	A199 T269 Y296 A351 A352 H404 L406	A199-A271 WeakPolarHBondContact O-CB 3.32Å; T269-A271 VanDerWaalsContact C-N 3.27Å; T269-A271 PolarHBondContact O-N 3.34Å; A271-Y296 VanDerWaalsContact O-CD1 3.26Å; A271-Y296 WeakPolarHBondContact O-CD1 3.45Å; A271-A351 WeakPolarHBondContact O-CB 3.25Å; A271-A352 PolarHBondContact O-N 3.36Å; A271-H404 HydrophobicContact CB-CB 4.35Å; A271-L406 HydrophobicContact CB-CB 4.39Å
272	H	89.7	Confident	87.7	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.3	179.3	-158.6	126.7	0	0	0	110.6	G201 C202 F203 L268 T269 A270 A297 S348	G201-H272 WeakPolarHBondContact CA-ND1 3.4Å; G201-H272 PolarHBondContact O-CE1 2.95Å; G201-H272 VanDerWaalsContact O-CE1 3.28Å; G201-H272 PolarHBondContact O-ND1 3.49Å; C202-H272 PolarHBondContact N-ND1 3.28Å; C202-H272 PolarHBondContact O-ND1 3.12Å; F203-H272 AromaticContact CD2-CE1 3.77Å; F203-H272 AromaticContact CE1-CE1 3.75Å; F203-H272 AromaticContact CE1-NE2 3.91Å; F203-H272 AromaticContact CE2-CE1 3.2Å; F203-H272 WeakPolarHBondContact CE2-CE1 3.46Å; F203-H272 AromaticContact CE2-NE2 3.58Å; F203-H272 AromaticContact CZ-CE1 3.18Å; F203-H272 WeakPolarHBondContact CZ-CE1 3.03Å; F203-H272 AromaticContact CZ-NE2 3.19Å; F203-H272 WeakPolarHBondContact CZ-NE2 3.45Å; L268-H272 HydrophobicContact CB-CB 4.22Å; L268-H272 HydrophobicContact CD1-CB 3.71Å; L268-H272 HydrophobicContact CG-CB 4.15Å; T269-H272 WeakPolarHBondContact O-CB 3.47Å; T269-H272 PolarHBondContact O-N 2.91Å; A270-H272 VanDerWaalsContact C-N 3.33Å; H272-A297 PolarHBondContact O-N 3.26Å; H272-S348 PolarHBondContact CD2-O 3.07Å; H272-S348 PolarHBondContact NE2-O 2.84Å
273	L	91	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.4	-178.5	-66.7	173.7	0	0	0	113	A295 Y296 S348 Y350 V353	L273-A295 WeakPolarHBondContact CA-O 3.1Å; L273-Y296 HydrophobicContact CD2-CD1 3.58Å; L273-Y296 HydrophobicContact CD2-CE1 3.65Å; L273-Y296 HydrophobicContact CD2-CG 4.19Å; L273-Y296 HydrophobicContact CG-CD1 4.38Å; L273-Y296 HydrophobicContact CG-CE1 4.37Å; L273-S348 WeakPolarHBondContact O-CB 3.49Å; L273-S348 PolarHBondContact O-N 3.07Å; L273-Y350 WeakPolarHBondContact CB-O 3.36Å; L273-Y350 PolarHBondContact N-O 3.23Å; L273-V353 WeakPolarHBondContact CD1-O 3.39Å
274	L	92.1	Very high	87.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	158.5	172.2	-67.9	171.8	0	0	0	111.1	L258 L266 L268 L276 A294 A295 A297 A347	L258-L274 HydrophobicContact CD1-CD1 3.31Å; L266-L274 HydrophobicContact CD2-CD2 3.62Å; L268-L274 HydrophobicContact CD1-CD1 3.99Å; L268-L274 HydrophobicContact CD1-CD2 3.43Å; L268-L274 VanDerWaalsContact CD1-CD2 3.43Å; L268-L274 HydrophobicContact CD1-CG 3.63Å; L268-L274 HydrophobicContact CD2-CD1 4.19Å; L268-L274 HydrophobicContact CD2-CD2 4.45Å; L274-L276 HydrophobicContact CB-CD2 4.35Å; L274-L276 HydrophobicContact CB-CG 4.35Å; L274-A294 CarbonylContact O-C 3.5Å; L274-A294 VanDerWaalsContact O-CA 3.26Å; L274-A294 WeakPolarHBondContact O-CA 3.45Å; L274-A295 PolarHBondContact N-O 3.41Å; L274-A295 PolarHBondContact O-N 2.93Å; L274-A297 HydrophobicContact CD1-CB 3.98Å; L274-A297 HydrophobicContact CG-CB 4.46Å; L274-A347 HydrophobicContact CD2-CB 4.03Å
275	F	92.7	Very high	86.9	Confident	25 Å²	25	40.9 Å²	40.9	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	103.1	168.8	-56.4	-72	0	0	0	109.4	L292 T339 A346 H356	F275-L292 HydrophobicContact CB-CD2 4.27Å; F275-T339 HydrophobicContact CE2-CG2 3.84Å; F275-T339 HydrophobicContact CZ-CG2 3.7Å; F275-A346 HydrophobicContact CD2-CB 4.36Å; F275-H356 HydrophobicContact CE1-CB 4.19Å; F275-H356 AromaticContact CZ-ND1 3.84Å
276	L	90.6	Very high	86.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.6	179	-62.6	-177.9	0	0	0	110.7	L274 R293 A295 A300 C305 V306 I319	L274-L276 HydrophobicContact CB-CD2 4.35Å; L274-L276 HydrophobicContact CB-CG 4.35Å; L276-R293 PolarHBondContact N-O 3.46Å; L276-R293 WeakPolarHBondContact O-CG 3.27Å; L276-R293 PolarHBondContact O-N 3.36Å; L276-A295 HydrophobicContact CD1-CB 3.83Å; L276-A295 HydrophobicContact CG-CB 4.3Å; L276-A300 HydrophobicContact CD1-CB 4.29Å; L276-C305 CarbonylContact C-O 3.55Å; L276-C305 WeakPolarHBondContact CA-O 3.15Å; L276-V306 HydrophobicContact CD2-CG1 3.64Å; L276-I319 HydrophobicContact CD2-CD1 4.03Å
277	S	87.1	Confident	85.7	Confident	7 Å²	7	38.6 Å²	38.6	5%	0.049	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-97.3	159	162.3	-174.2	0	0	0	0	110.5	C305	S277-C305 PolarHBondContact N-O 3.14Å; S277-C305 PolarHBondContact O-N 3.24Å
278	G	75.4	Confident	84.9	Confident	44 Å²	44	40.9 Å²	40.9	45%	0.454	25%	0.247	S	C	.	.			trans	-59.2	175.9	176.6	0	0	0	0	0	113.5	N280	G278-N280 PolarHBondContact O-N 3.41Å; G278-N280 VanDerWaalsContact O-N 3.15Å
279	R	70.8	Confident	83.8	Confident	195 Å²	195	44.4 Å²	44.4	74%	0.736	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.3	-173.7	-69.9	-173.4	-110.3	-172.6	-2.3	115.4	G303 Q304	R279-G303 WeakPolarHBondContact CA-O 3.42Å; R279-Q304 HydrophobicContact CG-CG 4.33Å
280	N	72.3	Confident	83	Confident	161 Å²	161	49.7 Å²	49.7	86%	0.861	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	35.1	-174.4	-65.9	1.7	0	0	0	112.5	G278	G278-N280 PolarHBondContact O-N 3.41Å; G278-N280 VanDerWaalsContact O-N 3.15Å
281	C	80.5	Confident	82.9	Confident	8 Å²	8	54 Å²	54	5%	0.054	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-82.3	147.4	174.8	104.1	0	0	0	0	111.4	C305 L316 R318	C281-C305 HydrophobicContact CB-CB 3.65Å; C281-C305 WeakPolarHBondContact CB-SG 3.21Å; C281-C305 WeakPolarHBondContact SG-CB 3.49Å; C281-C305 CovalentContact SG-SG 1.99Å; C281-C305 PolarHBondContact SG-SG 3.09Å; C281-L316 HydrophobicContact CB-CD1 4.25Å; C281-R318 PolarHBondContact O-NH2 2.88Å
282	S	86.2	Confident	83	Confident	84 Å²	84	56 Å²	56	59%	0.587	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-91.4	131	170.4	-60.6	0	0	0	0	109.6	A285	S282-A285 WeakPolarHBondContact O-CB 3.48Å; S282-A285 PolarHBondContact O-N 2.83Å
283	E	90.4	Very high	83	Confident	84 Å²	84	62.9 Å²	62.9	39%	0.393	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	135.9	176.6	-170.2	64.8	-152.6	0	0	110.4	A285 S317 R318	E283-A285 PolarHBondContact O-N 2.91Å; E283-S317 VanDerWaalsContact OE1-CA 3.32Å; E283-S317 WeakPolarHBondContact OE1-CA 3.29Å; E283-S317 WeakPolarHBondContact OE1-CB 3.43Å; E283-S317 PolarHBondContact OE1-OG 3.4Å; E283-S317 WeakPolarHBondContact OE2-CA 3.33Å; E283-R318 PolarHBondContact OE2-N 3.29Å
284	G	88.1	Confident	82.9	Confident	35 Å²	35	64.1 Å²	64.1	36%	0.361	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	0.7	179.9	0	0	0	0	0	115	R315 L316	G284-R315 WeakPolarHBondContact O-CD 3.41Å; G284-R315 PolarHBondContact O-NH1 2.9Å; G284-L316 PolarHBondContact N-O 2.83Å
285	A	88.7	Confident	82.6	Confident	33 Å²	33	64.4 Å²	64.4	27%	0.273	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.3	150.8	177.9	0	0	0	0	0	111.8	S282 E283 L316	S282-A285 WeakPolarHBondContact O-CB 3.48Å; S282-A285 PolarHBondContact O-N 2.83Å; E283-A285 PolarHBondContact O-N 2.91Å; A285-L316 HydrophobicContact CB-CD1 4.21Å; A285-L316 PolarHBondContact O-N 2.85Å
286	A	86.4	Confident	82.2	Confident	61 Å²	61	64.3 Å²	64.3	50%	0.504	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-67	145.1	172.5	0	0	0	0	0	110.6	V288	A286-V288 PolarHBondContact O-N 3.13Å
287	P	82.6	Confident	82	Confident	30 Å²	30	64.3 Å²	64.3	20%	0.195	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-65.4	130.4	176.9	23.4	-32	0	0	0	111.6	L292 L307 A314	P287-L292 HydrophobicContact CB-CD1 3.95Å; P287-L307 HydrophobicContact CB-CD1 4.34Å; P287-L307 HydrophobicContact CB-CD2 3.72Å; P287-L307 HydrophobicContact CG-CD2 4.32Å; P287-A314 WeakPolarHBondContact CD-O 3.43Å; P287-A314 HydrophobicContact CG-CB 4.37Å
288	V	78.4	Confident	81.6	Confident	68 Å²	68	66.3 Å²	66.3	41%	0.412	40%	0.399	S	S	.	.			trans	-99.1	112.9	163.1	-173.8	0	0	0	0	107.7	A286 S290 Q291	A286-V288 PolarHBondContact O-N 3.13Å; V288-S290 WeakPolarHBondContact CG1-OG 3.39Å; V288-S290 PolarHBondContact O-N 3.48Å; V288-S290 VanDerWaalsContact O-N 3.09Å; V288-Q291 HydrophobicContact CB-CB 4.45Å; V288-Q291 HydrophobicContact CB-CG 4.1Å; V288-Q291 HydrophobicContact CG1-CG 4.25Å; V288-Q291 WeakPolarHBondContact O-CB 3.27Å; V288-Q291 PolarHBondContact O-N 3.46Å
289	A	68.9	Low	81.9	Confident	74 Å²	74	67.1 Å²	67.1	61%	0.612	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-55.9	-32	-171.5	0	0	0	0	0	113.9	Q291	A289-Q291 PolarHBondContact O-N 3.3Å
290	S	69.3	Low	82.5	Confident	111 Å²	111	58.2 Å²	58.2	78%	0.776	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-71	-15.2	177.8	57.3	0	0	0	0	114.3	V288	V288-S290 WeakPolarHBondContact CG1-OG 3.39Å; V288-S290 PolarHBondContact O-N 3.48Å; V288-S290 VanDerWaalsContact O-N 3.09Å
291	Q	78.4	Confident	83.1	Confident	113 Å²	113	59 Å²	59	53%	0.528	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-97.8	-8.6	-177.6	-63.2	-177.6	-10.6	0	0	113.4	V288 A289	V288-Q291 HydrophobicContact CB-CB 4.45Å; V288-Q291 HydrophobicContact CB-CG 4.1Å; V288-Q291 HydrophobicContact CG1-CG 4.25Å; V288-Q291 WeakPolarHBondContact O-CB 3.27Å; V288-Q291 PolarHBondContact O-N 3.46Å; A289-Q291 PolarHBondContact O-N 3.3Å
292	L	84.1	Confident	83.4	Confident	40 Å²	40	62.2 Å²	62.2	21%	0.209	38%	0.375	C	S	.	.			trans	-95.1	122.3	-179.7	-70.7	158.3	0	0	0	110.1	F275 P287 L307 L316	F275-L292 HydrophobicContact CB-CD2 4.27Å; P287-L292 HydrophobicContact CB-CD1 3.95Å; L292-L307 HydrophobicContact CD1-CD1 3.65Å; L292-L307 HydrophobicContact CD1-CD2 4.4Å; L292-L307 HydrophobicContact CD1-CG 4.29Å; L292-L307 HydrophobicContact CD2-CD1 4.18Å; L292-L307 HydrophobicContact CD2-CD2 4.4Å; L292-L307 HydrophobicContact CD2-CG 4.08Å; L292-L316 HydrophobicContact CD2-CD2 4.31Å
293	R	88.7	Confident	83.5	Confident	146 Å²	146	59.2 Å²	59.2	55%	0.551	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.7	172.2	66	177.5	-175.2	174	5.7	110.5	L276 A295	L276-R293 PolarHBondContact N-O 3.46Å; L276-R293 WeakPolarHBondContact O-CG 3.27Å; L276-R293 PolarHBondContact O-N 3.36Å; R293-A295 PolarHBondContact O-N 3.5Å
294	A	89.3	Confident	83.5	Confident	26 Å²	26	56 Å²	56	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.2	164.8	0	0	0	0	0	108.5	L274 H356	L274-A294 CarbonylContact O-C 3.5Å; L274-A294 VanDerWaalsContact O-CA 3.26Å; L274-A294 WeakPolarHBondContact O-CA 3.45Å; A294-H356 HydrophobicContact CB-CB 3.84Å
295	A	86.5	Confident	83.8	Confident	8 Å²	8	54.4 Å²	54.4	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153.5	178.5	0	0	0	0	0	110.2	L273 L274 L276 R293	L273-A295 WeakPolarHBondContact CA-O 3.1Å; L274-A295 PolarHBondContact N-O 3.41Å; L274-A295 PolarHBondContact O-N 2.93Å; L276-A295 HydrophobicContact CD1-CB 3.83Å; L276-A295 HydrophobicContact CG-CB 4.3Å; R293-A295 PolarHBondContact O-N 3.5Å
296	Y	83.6	Confident	84.1	Confident	23 Å²	23	52.8 Å²	52.8	9%	0.09	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.1	-179.8	-59.2	-69.9	0	0	0	112.2	A271 L273 G298 T299 A352 D354 H404	A271-Y296 VanDerWaalsContact O-CD1 3.26Å; A271-Y296 WeakPolarHBondContact O-CD1 3.45Å; L273-Y296 HydrophobicContact CD2-CD1 3.58Å; L273-Y296 HydrophobicContact CD2-CE1 3.65Å; L273-Y296 HydrophobicContact CD2-CG 4.19Å; L273-Y296 HydrophobicContact CG-CD1 4.38Å; L273-Y296 HydrophobicContact CG-CE1 4.37Å; Y296-G298 PolarHBondContact O-N 3.46Å; Y296-T299 WeakPolarHBondContact O-CB 3.44Å; Y296-T299 PolarHBondContact O-N 3.12Å; Y296-T299 PolarHBondContact O-OG1 3.25Å; Y296-A352 PolarHBondContact OH-O 3.43Å; Y296-D354 HydrophobicContact CE2-CB 4.19Å; Y296-D354 WeakPolarHBondContact OH-CA 3.13Å; Y296-D354 PolarHBondContact OH-N 3.1Å; Y296-H404 HydrophobicContact CD1-CB 4.47Å; Y296-H404 AromaticContact CD1-CD2 3.43Å; Y296-H404 VanDerWaalsContact CD1-CD2 3.43Å; Y296-H404 WeakPolarHBondContact CD1-CD2 3.32Å; Y296-H404 AromaticContact CD2-CD2 3.4Å; Y296-H404 WeakPolarHBondContact CD2-CD2 3.23Å; Y296-H404 HydrophobicContact CE1-CB 3.79Å; Y296-H404 AromaticContact CE1-CD2 3.56Å; Y296-H404 HydrophobicContact CE2-CB 4.34Å; Y296-H404 AromaticContact CE2-CD2 3.52Å; Y296-H404 AromaticContact CG-CD2 3.3Å; Y296-H404 AromaticContact CG-NE2 3.9Å; Y296-H404 AromaticContact CZ-CD2 3.57Å; Y296-H404 PolarHBondContact OH-N 3.48Å
297	A	85.6	Confident	84.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-55.4	-37.7	178.9	0	0	0	0	0	112.9	L268 T269 A270 H272 L274 T299 A300	L268-A297 HydrophobicContact CD1-CB 3.75Å; L268-A297 HydrophobicContact CD2-CB 3.93Å; L268-A297 HydrophobicContact CG-CB 3.6Å; T269-A297 WeakPolarHBondContact O-CB 3.36Å; A270-A297 PolarHBondContact O-N 2.98Å; H272-A297 PolarHBondContact O-N 3.26Å; L274-A297 HydrophobicContact CD1-CB 3.98Å; L274-A297 HydrophobicContact CG-CB 4.46Å; A297-T299 PolarHBondContact O-N 2.83Å; A297-T299 VanDerWaalsContact O-N 3.13Å; A297-A300 WeakPolarHBondContact O-CB 3.43Å; A297-A300 PolarHBondContact O-N 3.05Å
298	G	80.5	Confident	85.1	Confident	48 Å²	48	48.6 Å²	48.6	50%	0.495	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-64.3	-14.5	176.6	0	0	0	0	0	114.6	A270 Y296	A270-G298 PolarHBondContact O-N 3.4Å; Y296-G298 PolarHBondContact O-N 3.46Å
299	T	79.9	Confident	85.8	Confident	61 Å²	61	47.4 Å²	47.4	37%	0.374	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-96.9	-5	176	70.4	0	0	0	0	113.4	Y296 A297	Y296-T299 WeakPolarHBondContact O-CB 3.44Å; Y296-T299 PolarHBondContact O-N 3.12Å; Y296-T299 PolarHBondContact O-OG1 3.25Å; A297-T299 PolarHBondContact O-N 2.83Å; A297-T299 VanDerWaalsContact O-N 3.13Å
300	A	83.3	Confident	86.8	Confident	8 Å²	8	45.8 Å²	45.8	7%	0.066	26%	0.257	C	S	.	.			trans	-65.1	138.1	178.7	0	0	0	0	0	110.6	L258 L276 A297 I319	L258-A300 HydrophobicContact CD1-CB 4.29Å; L258-A300 HydrophobicContact CD2-CB 3.83Å; L276-A300 HydrophobicContact CD1-CB 4.29Å; A297-A300 WeakPolarHBondContact O-CB 3.43Å; A297-A300 PolarHBondContact O-N 3.05Å; A300-I319 HydrophobicContact CB-CD1 4.13Å
301	R	85.6	Confident	87.6	Confident	177 Å²	177	44.6 Å²	44.6	67%	0.668	26%	0.262	S	S	*	.			trans	-133	149.7	179.6	-62.2	-175	-173.7	-93.5	0.4	110.4	Q304	R301-Q304 WeakPolarHBondContact O-CB 3.47Å; R301-Q304 PolarHBondContact O-N 3.05Å
302	P	87.9	Confident	88	Confident	77 Å²	77	42.1 Å²	42.1	50%	0.5	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	143.2	168.6	-25.8	35.3	0	0	0	111.9	Q304 I319 V322	P302-Q304 VanDerWaalsContact C-N 3.33Å; P302-I319 CarbonylContact C-O 3.58Å; P302-I319 VanDerWaalsContact CA-O 3.29Å; P302-I319 WeakPolarHBondContact CA-O 3.38Å; P302-V322 HydrophobicContact CG-CG2 4.17Å
303	G	87.2	Confident	88.3	Confident	21 Å²	21	41.9 Å²	41.9	22%	0.216	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-16.5	-175.8	0	0	0	0	0	115.2	R279 I319	R279-G303 WeakPolarHBondContact CA-O 3.42Å; G303-I319 PolarHBondContact N-O 2.85Å
304	Q	91	Very high	88.6	Confident	17 Å²	17	35.2 Å²	35.2	8%	0.079	25%	0.246	C	C	.	.			trans	-75	167.8	164.5	-67.4	175.9	-40.5	0	0	110.5	R279 R301 P302 I319	R279-Q304 HydrophobicContact CG-CG 4.33Å; R301-Q304 WeakPolarHBondContact O-CB 3.47Å; R301-Q304 PolarHBondContact O-N 3.05Å; P302-Q304 VanDerWaalsContact C-N 3.33Å; Q304-I319 HydrophobicContact CB-CD1 4.27Å; Q304-I319 WeakPolarHBondContact O-CG1 3.33Å; Q304-I319 PolarHBondContact O-N 3.11Å
305	C	93.2	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.3	-178.7	-54.9	0	0	0	0	112.9	L276 S277 C281 L316 S317	L276-C305 CarbonylContact C-O 3.55Å; L276-C305 WeakPolarHBondContact CA-O 3.15Å; S277-C305 PolarHBondContact N-O 3.14Å; S277-C305 PolarHBondContact O-N 3.24Å; C281-C305 HydrophobicContact CB-CB 3.65Å; C281-C305 WeakPolarHBondContact CB-SG 3.21Å; C281-C305 WeakPolarHBondContact SG-CB 3.49Å; C281-C305 CovalentContact SG-SG 1.99Å; C281-C305 PolarHBondContact SG-SG 3.09Å; C305-L316 HydrophobicContact CB-CD2 4.2Å; C305-S317 CarbonylContact C-O 3.58Å; C305-S317 VanDerWaalsContact CA-O 3.27Å; C305-S317 WeakPolarHBondContact CA-O 3.25Å
306	V	95.1	Very high	89.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	170.3	173.9	-68.8	0	0	0	0	109.5	T260 L276 V308 L316 S317 I319 V345	T260-V306 HydrophobicContact CG2-CG2 3.51Å; L276-V306 HydrophobicContact CD2-CG1 3.64Å; V306-V308 HydrophobicContact CG2-CG1 4.35Å; V306-L316 WeakPolarHBondContact O-CA 3.38Å; V306-S317 PolarHBondContact N-O 3.34Å; V306-S317 PolarHBondContact O-N 2.97Å; V306-I319 HydrophobicContact CG1-CD1 3.96Å; V306-I319 HydrophobicContact CG1-CG1 4.11Å; V306-I319 HydrophobicContact CG2-CG1 4.49Å; V306-V345 HydrophobicContact CB-CG1 4.01Å; V306-V345 HydrophobicContact CG2-CG1 3.97Å
307	L	94.8	Very high	89.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.9	170.8	-64.5	174.3	0	0	0	110.4	L231 P287 L292 R315 L316 V345 A346	L231-L307 HydrophobicContact CD2-CD1 3.32Å; P287-L307 HydrophobicContact CB-CD1 4.34Å; P287-L307 HydrophobicContact CB-CD2 3.72Å; P287-L307 HydrophobicContact CG-CD2 4.32Å; L292-L307 HydrophobicContact CD1-CD1 3.65Å; L292-L307 HydrophobicContact CD1-CD2 4.4Å; L292-L307 HydrophobicContact CD1-CG 4.29Å; L292-L307 HydrophobicContact CD2-CD1 4.18Å; L292-L307 HydrophobicContact CD2-CD2 4.4Å; L292-L307 HydrophobicContact CD2-CG 4.08Å; L307-R315 CarbonylContact C-O 3.58Å; L307-R315 WeakPolarHBondContact CA-O 3.26Å; L307-L316 HydrophobicContact CD2-CD2 3.6Å; L307-L316 HydrophobicContact CD2-CG 3.94Å; L307-L316 HydrophobicContact CG-CD2 4.47Å; L307-V345 CarbonylContact O-C 3.43Å; L307-V345 WeakPolarHBondContact O-CA 3.18Å; L307-A346 HydrophobicContact CB-CB 3.89Å; L307-A346 PolarHBondContact O-N 3.11Å
308	V	95.7	Very high	90.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.9	174	-59.9	0	0	0	0	110.3	T260 A262 Q264 V306 A314 R315 G344 V345	T260-V308 HydrophobicContact CG2-CG1 4.17Å; A262-V308 HydrophobicContact CB-CG2 4.41Å; Q264-V308 HydrophobicContact CB-CG1 4.42Å; Q264-V308 HydrophobicContact CG-CB 4.46Å; Q264-V308 HydrophobicContact CG-CG1 4.26Å; V306-V308 HydrophobicContact CG2-CG1 4.35Å; V308-A314 CarbonylContact O-C 3.57Å; V308-A314 WeakPolarHBondContact O-CA 3.36Å; V308-R315 HydrophobicContact CG2-CB 4.38Å; V308-R315 WeakPolarHBondContact CG2-O 3.47Å; V308-R315 PolarHBondContact N-O 3.12Å; V308-R315 PolarHBondContact O-N 3.36Å; V308-G344 CarbonylContact C-O 3.41Å; V308-G344 WeakPolarHBondContact CA-O 3.42Å; V308-V345 HydrophobicContact CG1-CG2 4.22Å
309	E	93.8	Very high	90.8	Very high	43 Å²	43	40.4 Å²	40.4	20%	0.201	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.3	164.1	-172	-80.4	133.6	0	0	109	L229 L236 G311 G312 M341 G344	L229-E309 HydrophobicContact CD2-CB 4.23Å; L229-E309 HydrophobicContact CD2-CG 3.84Å; L236-E309 HydrophobicContact CD1-CB 4.36Å; L236-E309 HydrophobicContact CD1-CG 3.64Å; E309-G311 PolarHBondContact OE1-N 3.3Å; E309-G312 WeakPolarHBondContact OE1-CA 3.43Å; E309-G312 PolarHBondContact OE1-N 2.77Å; E309-M341 HydrophobicContact CB-CE 4.36Å; E309-G344 PolarHBondContact N-O 3.18Å
310	A	90.3	Very high	91.6	Very high	41 Å²	41	41.3 Å²	41.3	34%	0.339	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	113.9	174.6	0	0	0	0	0	109.9	G312 A313 R315	A310-G312 VanDerWaalsContact C-N 3.35Å; A310-G312 PolarHBondContact O-N 3.44Å; A310-A313 PolarHBondContact N-O 3.18Å; A310-A313 PolarHBondContact O-N 2.83Å; A310-R315 HydrophobicContact CB-CB 4.24Å; A310-R315 HydrophobicContact CB-CG 3.9Å
311	G	85.2	Confident	91.6	Very high	86 Å²	86	41.9 Å²	41.9	89%	0.887	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	36.1	176.5	0	0	0	0	0	113.5	E309 A313	E309-G311 PolarHBondContact OE1-N 3.3Å; G311-A313 PolarHBondContact O-N 3.32Å
312	G	86.9	Confident	91.7	Very high	60 Å²	60	36.1 Å²	36.1	62%	0.619	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	8.6	-179.2	0	0	0	0	0	114.5	E309 A310	E309-G312 WeakPolarHBondContact OE1-CA 3.43Å; E309-G312 PolarHBondContact OE1-N 2.77Å; A310-G312 VanDerWaalsContact C-N 3.35Å; A310-G312 PolarHBondContact O-N 3.44Å
313	A	91.4	Very high	91	Very high	35 Å²	35	35.1 Å²	35.1	29%	0.289	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.7	175.9	0	0	0	0	0	111.4	A310 G311	A310-A313 PolarHBondContact N-O 3.18Å; A310-A313 PolarHBondContact O-N 2.83Å; G311-A313 PolarHBondContact O-N 3.32Å
314	A	93.3	Very high	90.5	Very high	6 Å²	6	37.4 Å²	37.4	5%	0.05	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.5	170.7	0	0	0	0	0	109.5	L231 L236 P287 V308	L231-A314 HydrophobicContact CD1-CB 3.6Å; L236-A314 HydrophobicContact CD2-CB 4.07Å; L236-A314 HydrophobicContact CG-CB 4.33Å; P287-A314 WeakPolarHBondContact CD-O 3.43Å; P287-A314 HydrophobicContact CG-CB 4.37Å; V308-A314 CarbonylContact O-C 3.57Å; V308-A314 WeakPolarHBondContact O-CA 3.36Å
315	R	94.1	Very high	89.8	Confident	101 Å²	101	39 Å²	39	38%	0.381	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.9	179.2	-60.6	-57.5	-171.3	147.5	-9.9	110.7	G284 L307 V308 A310	G284-R315 WeakPolarHBondContact O-CD 3.41Å; G284-R315 PolarHBondContact O-NH1 2.9Å; L307-R315 CarbonylContact C-O 3.58Å; L307-R315 WeakPolarHBondContact CA-O 3.26Å; V308-R315 HydrophobicContact CG2-CB 4.38Å; V308-R315 WeakPolarHBondContact CG2-O 3.47Å; V308-R315 PolarHBondContact N-O 3.12Å; V308-R315 PolarHBondContact O-N 3.36Å; A310-R315 HydrophobicContact CB-CB 4.24Å; A310-R315 HydrophobicContact CB-CG 3.9Å
316	L	94.1	Very high	89.1	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.2	172.9	-73.7	164.7	0	0	0	110	C281 G284 A285 L292 C305 V306 L307	C281-L316 HydrophobicContact CB-CD1 4.25Å; G284-L316 PolarHBondContact N-O 2.83Å; A285-L316 HydrophobicContact CB-CD1 4.21Å; A285-L316 PolarHBondContact O-N 2.85Å; L292-L316 HydrophobicContact CD2-CD2 4.31Å; C305-L316 HydrophobicContact CB-CD2 4.2Å; V306-L316 WeakPolarHBondContact O-CA 3.38Å; L307-L316 HydrophobicContact CD2-CD2 3.6Å; L307-L316 HydrophobicContact CD2-CG 3.94Å; L307-L316 HydrophobicContact CG-CD2 4.47Å
317	S	95.1	Very high	88.6	Confident	0 Å²	0	45 Å²	45	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.8	169.2	-168.6	0	0	0	0	111.6	A261 A262 E283 C305 V306	A261-S317 PolarHBondContact N-OG 3.43Å; A262-S317 WeakPolarHBondContact CB-OG 3.46Å; A262-S317 PolarHBondContact N-OG 2.86Å; A262-S317 VanDerWaalsContact N-OG 3.11Å; E283-S317 VanDerWaalsContact OE1-CA 3.32Å; E283-S317 WeakPolarHBondContact OE1-CA 3.29Å; E283-S317 WeakPolarHBondContact OE1-CB 3.43Å; E283-S317 PolarHBondContact OE1-OG 3.4Å; E283-S317 WeakPolarHBondContact OE2-CA 3.33Å; C305-S317 CarbonylContact C-O 3.58Å; C305-S317 VanDerWaalsContact CA-O 3.27Å; C305-S317 WeakPolarHBondContact CA-O 3.25Å; V306-S317 PolarHBondContact N-O 3.34Å; V306-S317 PolarHBondContact O-N 2.97Å
318	R	95.1	Very high	88.3	Confident	106 Å²	106	52 Å²	52	40%	0.4	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.2	-178.2	-171.2	177.9	-65.2	-175.4	1.2	110.9	T260 A261 C281 E283 V320	T260-R318 CarbonylContact C-O 3.58Å; T260-R318 VanDerWaalsContact CA-O 3.27Å; T260-R318 WeakPolarHBondContact CA-O 3.37Å; A261-R318 HydrophobicContact CB-CB 4.35Å; A261-R318 PolarHBondContact N-O 2.78Å; C281-R318 PolarHBondContact O-NH2 2.88Å; E283-R318 PolarHBondContact OE2-N 3.29Å; R318-V320 PolarHBondContact O-N 3.42Å
319	I	94.9	Very high	87.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	117.1	168.6	-57.5	175.1	0	0	0	107.9	L258 Q259 L276 A300 P302 G303 Q304 V306 G321 V322	L258-I319 HydrophobicContact CD1-CD1 4.34Å; Q259-I319 CarbonylContact O-C 3.49Å; Q259-I319 WeakPolarHBondContact O-CA 3.36Å; L276-I319 HydrophobicContact CD2-CD1 4.03Å; A300-I319 HydrophobicContact CB-CD1 4.13Å; P302-I319 CarbonylContact C-O 3.58Å; P302-I319 VanDerWaalsContact CA-O 3.29Å; P302-I319 WeakPolarHBondContact CA-O 3.38Å; G303-I319 PolarHBondContact N-O 2.85Å; Q304-I319 HydrophobicContact CB-CD1 4.27Å; Q304-I319 WeakPolarHBondContact O-CG1 3.33Å; Q304-I319 PolarHBondContact O-N 3.11Å; V306-I319 HydrophobicContact CG1-CD1 3.96Å; V306-I319 HydrophobicContact CG1-CG1 4.11Å; V306-I319 HydrophobicContact CG2-CG1 4.49Å; I319-G321 WeakPolarHBondContact CG2-O 3.37Å; I319-V322 HydrophobicContact CG2-CG2 3.69Å
320	V	95.8	Very high	87.6	Confident	81 Å²	81	49.9 Å²	49.9	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-23.8	177.1	-63.6	0	0	0	0	112.1	Q259 A261 R318	Q259-V320 HydrophobicContact CB-CG2 4.18Å; Q259-V320 HydrophobicContact CG-CG2 3.89Å; Q259-V320 WeakPolarHBondContact O-CG2 3.39Å; Q259-V320 PolarHBondContact O-N 2.98Å; A261-V320 HydrophobicContact CB-CG1 3.8Å; R318-V320 PolarHBondContact O-N 3.42Å
321	G	84.3	Confident	87.7	Confident	19 Å²	19	48.1 Å²	48.1	20%	0.196	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.7	-178.5	0	0	0	0	0	112.5	Q259 I319	Q259-G321 PolarHBondContact N-O 3.38Å; Q259-G321 PolarHBondContact O-N 3.18Å; I319-G321 WeakPolarHBondContact CG2-O 3.37Å
322	V	86	Confident	88.1	Confident	56 Å²	56	44.3 Å²	44.3	34%	0.339	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122	171.8	-177.5	0	0	0	0	107.5	V256 S257 L258 P302 I319	V256-V322 HydrophobicContact CG1-CG1 3.74Å; S257-V322 WeakPolarHBondContact O-CA 3.4Å; L258-V322 HydrophobicContact CD2-CB 4.33Å; L258-V322 HydrophobicContact CD2-CG1 3.97Å; L258-V322 HydrophobicContact CD2-CG2 3.73Å; P302-V322 HydrophobicContact CG-CG2 4.17Å; I319-V322 HydrophobicContact CG2-CG2 3.69Å
323	S	74.7	Confident	88.5	Confident	57 Å²	57	41.4 Å²	41.4	40%	0.399	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	173.1	175.3	65.6	0	0	0	0	110.7	V256 S257	V256-S323 CarbonylContact C-O 3.58Å; V256-S323 WeakPolarHBondContact CA-O 3.46Å; S257-S323 PolarHBondContact N-O 2.94Å; S257-S323 PolarHBondContact O-N 3.09Å
324	V	76.6	Confident	88.6	Confident	68 Å²	68	39.8 Å²	39.8	41%	0.412	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.6	174.4	178.7	0	0	0	0	108	L60 L254 F255	L60-V324 HydrophobicContact CD1-CG2 3.9Å; L254-V324 HydrophobicContact CB-CG1 4.23Å; L254-V324 HydrophobicContact CD2-CG1 4.04Å; F255-V324 WeakPolarHBondContact O-CA 3.44Å
325	A	75.7	Confident	88.7	Confident	50 Å²	50	39.5 Å²	39.5	41%	0.413	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.2	179.1	0	0	0	0	0	110.6	F255	F255-A325 PolarHBondContact N-O 3.34Å; F255-A325 PolarHBondContact O-N 3.24Å
326	T	78.6	Confident	88.7	Confident	99 Å²	99	40.9 Å²	40.9	61%	0.607	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.8	171.3	-50.8	0	0	0	0	109.3	P252 R253 L254	P252-T326 HydrophobicContact CB-CG2 4.11Å; R253-T326 CarbonylContact O-C 3.5Å; R253-T326 WeakPolarHBondContact O-CA 3.5Å; R253-T326 WeakPolarHBondContact O-CG2 3.5Å; L254-T326 WeakPolarHBondContact CD2-OG1 3.25Å
327	S	85.2	Confident	88.7	Confident	28 Å²	28	43.4 Å²	43.4	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.9	172.6	-171.1	0	0	0	0	110.6	P204 N206 R253	P204-S327 WeakPolarHBondContact CB-OG 3.21Å; N206-S327 PolarHBondContact OD1-OG 2.67Å; R253-S327 WeakPolarHBondContact CA-O 3.34Å; R253-S327 PolarHBondContact N-O 3.33Å; R253-S327 PolarHBondContact O-N 3.34Å
328	R	87.4	Confident	88.6	Confident	147 Å²	147	43.4 Å²	43.4	56%	0.555	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.9	-175.8	-162.9	175.9	-165.2	-105.9	0.7	111.5	G205 D250	G205-R328 PolarHBondContact N-O 2.95Å; G205-R328 VanDerWaalsContact N-O 3.08Å; D250-R328 PolarHBondContact O-NE 3.17Å; D250-R328 PolarHBondContact O-NH2 3.01Å; D250-R328 IonicContact OD1-CZ 3.78Å; D250-R328 IonicContact OD1-NH1 2.7Å; D250-R328 PolarHBondContact OD1-NH1 3.19Å; D250-R328 IonicContact OD1-NH2 3.84Å; D250-R328 PolarHBondContact OD1-NH2 2.58Å
329	G	85.8	Confident	88.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	149.6	176.2	0	0	0	0	0	112.9	P204 D248 P249 T251 F255	P204-G329 WeakPolarHBondContact CA-O 3.45Å; D248-G329 CarbonylContact O-C 3.34Å; D248-G329 WeakPolarHBondContact O-CA 3.42Å; P249-G329 WeakPolarHBondContact O-CA 3.5Å; T251-G329 PolarHBondContact O-N 3.36Å; T251-G329 VanDerWaalsContact O-N 3.08Å; F255-G329 WeakPolarHBondContact CZ-O 3.47Å
330	A	89.2	Confident	88.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.5	-179.8	0	0	0	0	0	109.8	C202 F203 R247 D248 R253	C202-A330 HydrophobicContact CB-CB 3.68Å; F203-A330 WeakPolarHBondContact O-CA 3.45Å; R247-A330 WeakPolarHBondContact CA-O 3.45Å; D248-A330 HydrophobicContact CB-CB 4.38Å; D248-A330 PolarHBondContact N-O 2.83Å; D248-A330 PolarHBondContact O-N 3.31Å; R253-A330 VanDerWaalsContact CD-CB 3.49Å; R253-A330 HydrophobicContact CG-CB 3.94Å
331	F	92.8	Very high	88.8	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.2	-175.2	-60.5	-93.5	0	0	0	110	C202 F203 G205 M219 F244 R247 P249 P333	C202-F331 WeakPolarHBondContact CA-O 3.36Å; F203-F331 PolarHBondContact N-O 3.2Å; F203-F331 PolarHBondContact O-N 2.59Å; G205-F331 VanDerWaalsContact CA-CE2 3.45Å; M219-F331 HydrophobicContact CG-CB 3.49Å; M219-F331 VanDerWaalsContact CG-CB 3.49Å; M219-F331 HydrophobicContact CG-CD2 4.14Å; M219-F331 HydrophobicContact CG-CG 3.93Å; M219-F331 HydrophobicContact SD-CB 4.33Å; F244-F331 HydrophobicContact CD1-CB 4.25Å; F244-F331 HydrophobicContact CD1-CD1 4.36Å; F244-F331 HydrophobicContact CE1-CB 4.07Å; F244-F331 HydrophobicContact CE1-CD1 4.08Å; R247-F331 HydrophobicContact CG-CD1 3.94Å; R247-F331 HydrophobicContact CG-CE1 3.92Å; P249-F331 HydrophobicContact CB-CE1 4.5Å; P249-F331 HydrophobicContact CB-CZ 3.92Å; F331-P333 WeakPolarHBondContact O-CD 3.38Å
332	A	93.6	Very high	89.4	Confident	6 Å²	6	34 Å²	34	5%	0.05	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	78.4	176.2	0	0	0	0	0	110.4	G201 F244 L245 D246	G201-A332 VanDerWaalsContact O-CB 3.28Å; G201-A332 WeakPolarHBondContact O-CB 3.16Å; F244-A332 CarbonylContact C-O 3.56Å; F244-A332 WeakPolarHBondContact CA-O 3.36Å; L245-A332 HydrophobicContact CB-CB 4.05Å; L245-A332 PolarHBondContact N-O 3.03Å; D246-A332 HydrophobicContact CB-CB 3.97Å; D246-A332 PolarHBondContact O-N 2.93Å
333	P	94.9	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.9	179.3	29.9	-35.8	0	0	0	111.3	F203 M219 L222 V241 F244 F331 I340 C349	F203-P333 HydrophobicContact CD2-CG 4.39Å; F203-P333 HydrophobicContact CE2-CG 4.48Å; M219-P333 HydrophobicContact CE-CG 4.38Å; M219-P333 HydrophobicContact SD-CG 3.74Å; L222-P333 HydrophobicContact CD2-CB 4.01Å; L222-P333 HydrophobicContact CD2-CG 4.3Å; V241-P333 HydrophobicContact CG1-CB 4.14Å; F244-P333 HydrophobicContact CD1-CB 4.19Å; F244-P333 HydrophobicContact CE1-CB 3.91Å; F244-P333 HydrophobicContact CZ-CB 4.42Å; F331-P333 WeakPolarHBondContact O-CD 3.38Å; P333-I340 HydrophobicContact CB-CD1 4.32Å; P333-I340 HydrophobicContact CG-CD1 3.67Å; P333-C349 WeakPolarHBondContact O-CB 3.49Å; P333-C349 PolarHBondContact O-SG 2.97Å
334	L	93.7	Very high	90.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.5	171.1	178.1	62.9	0	0	0	109.8	M242 T243 L245 C349 Y350 F363 L366 R367	M242-L334 PolarHBondContact N-O 3.44Å; T243-L334 HydrophobicContact CG2-CB 4.23Å; T243-L334 HydrophobicContact CG2-CD2 4.22Å; T243-L334 PolarHBondContact O-N 3.14Å; L245-L334 HydrophobicContact CD2-CB 4.05Å; L245-L334 HydrophobicContact CD2-CD2 3.97Å; L245-L334 HydrophobicContact CD2-CG 4.49Å; L245-L334 HydrophobicContact CG-CB 4.01Å; L334-C349 HydrophobicContact CD1-CB 4.07Å; L334-Y350 HydrophobicContact CD1-CE1 3.59Å; L334-F363 HydrophobicContact CD2-CD1 4.49Å; L334-L366 HydrophobicContact CD2-CD2 4.03Å; L334-R367 HydrophobicContact CD2-CG 4.22Å
335	T	95.1	Very high	91.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	161.1	170.7	70.9	0	0	0	0	111.5	V228 E240 V241 Q337 G338 T339 I340 C349	V228-T335 HydrophobicContact CG2-CG2 3.72Å; E240-T335 CarbonylContact O-C 3.46Å; E240-T335 VanDerWaalsContact O-CA 3.24Å; E240-T335 WeakPolarHBondContact O-CA 3.44Å; V241-T335 HydrophobicContact CG2-CG2 4.34Å; T335-Q337 PolarHBondContact O-N 3.28Å; T335-G338 PolarHBondContact O-N 2.9Å; T335-G338 PolarHBondContact OG1-N 2.8Å; T335-G338 VanDerWaalsContact OG1-N 3.1Å; T335-T339 WeakPolarHBondContact CG2-O 3.24Å; T335-T339 PolarHBondContact OG1-N 2.98Å; T335-T339 PolarHBondContact OG1-O 3.27Å; T335-I340 HydrophobicContact CG2-CB 4.21Å; T335-I340 HydrophobicContact CG2-CD1 4.34Å; T335-I340 HydrophobicContact CG2-CG1 4.47Å; T335-C349 PolarHBondContact N-SG 3.28Å; T335-C349 PolarHBondContact OG1-SG 2.89Å
336	R	93.4	Very high	92.9	Very high	130 Å²	130	25.5 Å²	25.5	49%	0.491	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.8	174.7	-159.8	167.4	73.7	110.8	-3.7	113.4	S239 E240 M242 R367	S239-R336 WeakPolarHBondContact OG-CB 3.01Å; S239-R336 PolarHBondContact OG-N 3.26Å; E240-R336 PolarHBondContact O-N 3.38Å; M242-R336 HydrophobicContact CG-CB 4.43Å; M242-R336 WeakPolarHBondContact SD-CA 3.49Å; M242-R336 HydrophobicContact SD-CB 3.99Å; M242-R336 HydrophobicContact SD-CG 4.19Å; R336-R367 PolarHBondContact O-NH1 3.09Å; R336-R367 VanDerWaalsContact O-NH1 3.15Å
337	Q	94.1	Very high	93.7	Very high	59 Å²	59	20.8 Å²	20.8	28%	0.276	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.9	178.1	-57.8	-58.5	-10.3	0	0	113.8	V232 V237 S239 T335 T339 H360	V232-Q337 HydrophobicContact CG2-CB 3.7Å; V232-Q337 VanDerWaalsContact CG2-CD 3.49Å; V232-Q337 HydrophobicContact CG2-CG 3.45Å; V232-Q337 VanDerWaalsContact CG2-CG 3.45Å; V237-Q337 HydrophobicContact CG2-CG 4.25Å; S239-Q337 PolarHBondContact OG-N 3.47Å; T335-Q337 PolarHBondContact O-N 3.28Å; Q337-T339 PolarHBondContact O-N 3.23Å; Q337-H360 PolarHBondContact O-CE1 2.71Å; Q337-H360 VanDerWaalsContact O-CE1 3.24Å
338	G	92.9	Very high	94.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	70.4	11.8	-178	0	0	0	0	0	114.2	T335 C349 H356	T335-G338 PolarHBondContact O-N 2.9Å; T335-G338 PolarHBondContact OG1-N 2.8Å; T335-G338 VanDerWaalsContact OG1-N 3.1Å; G338-C349 VanDerWaalsContact C-SG 3.5Å; G338-C349 WeakPolarHBondContact O-CB 3.23Å; G338-C349 PolarHBondContact O-N 2.84Å; G338-H356 PolarHBondContact O-CE1 2.84Å; G338-H356 VanDerWaalsContact O-CE1 3.25Å
339	T	95.9	Very high	94.5	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.031	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.5	174.9	63.3	0	0	0	0	109.9	A230 L231 F275 T335 Q337 A347	A230-T339 VanDerWaalsContact CB-O 3.31Å; A230-T339 WeakPolarHBondContact CB-O 3.45Å; L231-T339 PolarHBondContact N-OG1 2.87Å; L231-T339 WeakPolarHBondContact O-CB 3.49Å; L231-T339 WeakPolarHBondContact O-CG2 3.41Å; L231-T339 PolarHBondContact O-OG1 2.76Å; F275-T339 HydrophobicContact CE2-CG2 3.84Å; F275-T339 HydrophobicContact CZ-CG2 3.7Å; T335-T339 WeakPolarHBondContact CG2-O 3.24Å; T335-T339 PolarHBondContact OG1-N 2.98Å; T335-T339 PolarHBondContact OG1-O 3.27Å; Q337-T339 PolarHBondContact O-N 3.23Å; T339-A347 WeakPolarHBondContact CA-O 3.41Å
340	I	97.3	Very high	94.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.5	-179.2	-172.4	167.7	0	0	0	110	F203 V209 V228 P333 T335 V342 A347	F203-I340 HydrophobicContact CE2-CG2 3.95Å; F203-I340 HydrophobicContact CZ-CG2 4.05Å; V209-I340 HydrophobicContact CG1-CD1 3.9Å; V209-I340 HydrophobicContact CG1-CG1 4.29Å; V228-I340 HydrophobicContact CG2-CD1 4Å; V228-I340 HydrophobicContact CG2-CG1 4.05Å; P333-I340 HydrophobicContact CB-CD1 4.32Å; P333-I340 HydrophobicContact CG-CD1 3.67Å; T335-I340 HydrophobicContact CG2-CB 4.21Å; T335-I340 HydrophobicContact CG2-CD1 4.34Å; T335-I340 HydrophobicContact CG2-CG1 4.47Å; I340-V342 HydrophobicContact CD1-CG2 4.28Å; I340-V342 HydrophobicContact CG1-CG2 4.04Å; I340-V342 HydrophobicContact CG2-CG2 3.95Å; I340-A347 PolarHBondContact N-O 3.47Å; I340-A347 PolarHBondContact O-N 2.86Å
341	M	97.1	Very high	94.5	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.02	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.3	169.8	-78.6	-72.9	-166.8	0	0	109.6	L229 L231 L236 E309 V345 A346	L229-M341 HydrophobicContact CB-CB 4.03Å; L229-M341 HydrophobicContact CB-CG 4.39Å; L229-M341 HydrophobicContact CD2-CB 3.87Å; L229-M341 HydrophobicContact CD2-CG 3.67Å; L229-M341 HydrophobicContact CG-CB 4.07Å; L229-M341 HydrophobicContact CG-CG 3.9Å; L229-M341 WeakPolarHBondContact O-CB 3.27Å; L229-M341 PolarHBondContact O-N 2.85Å; L231-M341 HydrophobicContact CD1-CE 4.47Å; L236-M341 HydrophobicContact CD2-CE 3.39Å; L236-M341 HydrophobicContact CD2-CG 4.46Å; E309-M341 HydrophobicContact CB-CE 4.36Å; M341-V345 WeakPolarHBondContact CA-O 3.32Å; M341-A346 HydrophobicContact CE-CB 3.74Å; M341-A346 WeakPolarHBondContact SD-CA 3.17Å; M341-A346 HydrophobicContact SD-CB 3.74Å; M341-A346 PolarHBondContact SD-N 3.26Å
342	V	97.8	Very high	93.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.9	179.9	-176.6	0	0	0	0	108.5	F203 A207 S208 V209 M219 L266 I340 G344 V345	F203-V342 HydrophobicContact CD1-CB 4.2Å; F203-V342 HydrophobicContact CD1-CG1 3.89Å; F203-V342 HydrophobicContact CD1-CG2 4.05Å; F203-V342 HydrophobicContact CD2-CG2 4.19Å; F203-V342 HydrophobicContact CE1-CB 4.02Å; F203-V342 HydrophobicContact CE1-CG1 4.24Å; F203-V342 HydrophobicContact CE1-CG2 3.76Å; F203-V342 HydrophobicContact CE2-CG2 3.89Å; F203-V342 HydrophobicContact CG-CG1 4.29Å; F203-V342 HydrophobicContact CG-CG2 4.26Å; F203-V342 HydrophobicContact CZ-CB 4.42Å; F203-V342 HydrophobicContact CZ-CG2 3.68Å; A207-V342 HydrophobicContact CB-CG1 3.64Å; S208-V342 CarbonylContact O-C 3.55Å; S208-V342 WeakPolarHBondContact O-CA 3.22Å; V209-V342 HydrophobicContact CG1-CG2 4.07Å; M219-V342 HydrophobicContact CE-CB 4.49Å; M219-V342 HydrophobicContact CE-CG1 3.92Å; M219-V342 HydrophobicContact CE-CG2 3.7Å; L266-V342 HydrophobicContact CD1-CB 3.71Å; L266-V342 HydrophobicContact CD1-CG1 3.75Å; L266-V342 WeakPolarHBondContact CD1-O 3.38Å; I340-V342 HydrophobicContact CD1-CG2 4.28Å; I340-V342 HydrophobicContact CG1-CG2 4.04Å; I340-V342 HydrophobicContact CG2-CG2 3.95Å; V342-G344 PolarHBondContact O-N 3.44Å; V342-V345 PolarHBondContact N-O 3.28Å; V342-V345 PolarHBondContact O-N 3.5Å
343	D	97.2	Very high	92.2	Very high	35 Å²	35	14.8 Å²	14.8	19%	0.187	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	32.6	-174.9	-59.4	-41.3	0	0	0	113.4	S208 R265 V345	S208-D343 WeakPolarHBondContact CB-OD1 3.27Å; S208-D343 PolarHBondContact N-OD1 3.06Å; S208-D343 PolarHBondContact O-N 3.32Å; S208-D343 PolarHBondContact OG-OD1 2.93Å; R265-D343 WeakPolarHBondContact O-CB 3.4Å; D343-V345 VanDerWaalsContact C-N 3.35Å
344	G	95.7	Very high	91	Very high	16 Å²	16	18.8 Å²	18.8	17%	0.165	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	9.5	-178.6	0	0	0	0	0	115.1	V308 E309 V342	V308-G344 CarbonylContact C-O 3.41Å; V308-G344 WeakPolarHBondContact CA-O 3.42Å; E309-G344 PolarHBondContact N-O 3.18Å; V342-G344 PolarHBondContact O-N 3.44Å
345	V	97.2	Very high	90.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138	180	-175.4	0	0	0	0	110.7	T260 Q264 L266 V306 L307 V308 M341 V342 D343	T260-V345 HydrophobicContact CG2-CG2 4.4Å; Q264-V345 HydrophobicContact CB-CG2 3.76Å; Q264-V345 HydrophobicContact CG-CG2 4.48Å; L266-V345 HydrophobicContact CB-CB 3.95Å; L266-V345 HydrophobicContact CB-CG1 4.32Å; L266-V345 HydrophobicContact CB-CG2 3.85Å; L266-V345 HydrophobicContact CD2-CB 3.87Å; L266-V345 HydrophobicContact CD2-CG1 3.69Å; L266-V345 HydrophobicContact CG-CB 4.33Å; V306-V345 HydrophobicContact CB-CG1 4.01Å; V306-V345 HydrophobicContact CG2-CG1 3.97Å; L307-V345 CarbonylContact O-C 3.43Å; L307-V345 WeakPolarHBondContact O-CA 3.18Å; V308-V345 HydrophobicContact CG1-CG2 4.22Å; M341-V345 WeakPolarHBondContact CA-O 3.32Å; V342-V345 PolarHBondContact N-O 3.28Å; V342-V345 PolarHBondContact O-N 3.5Å; D343-V345 VanDerWaalsContact C-N 3.35Å
346	A	96.1	Very high	89.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.2	-179.1	0	0	0	0	0	111.9	L231 F275 L307 M341	L231-A346 HydrophobicContact CB-CB 4.47Å; L231-A346 HydrophobicContact CD2-CB 4.06Å; F275-A346 HydrophobicContact CD2-CB 4.36Å; L307-A346 HydrophobicContact CB-CB 3.89Å; L307-A346 PolarHBondContact O-N 3.11Å; M341-A346 HydrophobicContact CE-CB 3.74Å; M341-A346 WeakPolarHBondContact SD-CA 3.17Å; M341-A346 HydrophobicContact SD-CB 3.74Å; M341-A346 PolarHBondContact SD-N 3.26Å
347	A	95.9	Very high	89.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	159.6	175.9	0	0	0	0	0	111.4	F203 L274 T339 I340	F203-A347 HydrophobicContact CE1-CB 4.01Å; F203-A347 HydrophobicContact CZ-CB 3.67Å; L274-A347 HydrophobicContact CD2-CB 4.03Å; T339-A347 WeakPolarHBondContact CA-O 3.41Å; I340-A347 PolarHBondContact N-O 3.47Å; I340-A347 PolarHBondContact O-N 2.86Å
348	S	95.1	Very high	89.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.2	171.2	-179.2	0	0	0	0	109.6	H272 L273 Y350 H356	H272-S348 PolarHBondContact CD2-O 3.07Å; H272-S348 PolarHBondContact NE2-O 2.84Å; L273-S348 WeakPolarHBondContact O-CB 3.49Å; L273-S348 PolarHBondContact O-N 3.07Å; S348-Y350 PolarHBondContact O-N 3.41Å; S348-Y350 WeakPolarHBondContact OG-CD2 3.31Å; S348-Y350 PolarHBondContact OG-N 3Å; S348-H356 PolarHBondContact OG-ND1 2.9Å
349	C	93.7	Very high	88.7	Confident	4 Å²	4	24.9 Å²	24.9	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	11.4	169.5	-66.3	0	0	0	0	113.6	L245 P333 L334 T335 G338	L245-C349 WeakPolarHBondContact CD1-O 3.36Å; P333-C349 WeakPolarHBondContact O-CB 3.49Å; P333-C349 PolarHBondContact O-SG 2.97Å; L334-C349 HydrophobicContact CD1-CB 4.07Å; T335-C349 PolarHBondContact N-SG 3.28Å; T335-C349 PolarHBondContact OG1-SG 2.89Å; G338-C349 VanDerWaalsContact C-SG 3.5Å; G338-C349 WeakPolarHBondContact O-CB 3.23Å; G338-C349 PolarHBondContact O-N 2.84Å
350	Y	89.9	Confident	88.4	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157.6	-168	-53.4	-61.7	0	0	0	110.6	L245 L273 L334 S348 H356 A359 H360 F363	L245-Y350 HydrophobicContact CD1-CD1 4.23Å; L273-Y350 WeakPolarHBondContact CB-O 3.36Å; L273-Y350 PolarHBondContact N-O 3.23Å; L334-Y350 HydrophobicContact CD1-CE1 3.59Å; S348-Y350 PolarHBondContact O-N 3.41Å; S348-Y350 WeakPolarHBondContact OG-CD2 3.31Å; S348-Y350 PolarHBondContact OG-N 3Å; Y350-H356 AromaticContact CD2-ND1 3.73Å; Y350-H356 AromaticContact CE2-CE1 3.97Å; Y350-A359 HydrophobicContact CD1-CB 4.09Å; Y350-A359 HydrophobicContact CD2-CB 3.87Å; Y350-A359 HydrophobicContact CG-CB 3.58Å; Y350-H360 HydrophobicContact CD2-CB 4.45Å; Y350-H360 HydrophobicContact CE2-CB 3.64Å; Y350-H360 AromaticContact CE2-CG 3.97Å; Y350-H360 AromaticContact CE2-ND1 3.48Å; Y350-H360 WeakPolarHBondContact CE2-ND1 3.42Å; Y350-H360 AromaticContact CZ-ND1 3.6Å; Y350-H360 PolarHBondContact OH-ND1 3.3Å; Y350-F363 AromaticContact CD1-CD2 3.6Å; Y350-F363 HydrophobicContact CD1-CD2 3.6Å; Y350-F363 AromaticContact CD1-CE2 3.88Å; Y350-F363 HydrophobicContact CD1-CE2 3.88Å; Y350-F363 HydrophobicContact CD1-CG 4.31Å; Y350-F363 HydrophobicContact CE1-CB 3.81Å; Y350-F363 AromaticContact CE1-CD2 3.41Å; Y350-F363 HydrophobicContact CE1-CD2 3.41Å; Y350-F363 VanDerWaalsContact CE1-CD2 3.41Å; Y350-F363 HydrophobicContact CE1-CE2 4.11Å; Y350-F363 AromaticContact CE1-CG 3.69Å; Y350-F363 HydrophobicContact CE1-CG 3.69Å
351	A	84.8	Confident	88	Confident	20 Å²	20	32.9 Å²	32.9	17%	0.165	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	-177.9	-175.3	0	0	0	0	0	110.3	A271 V353	A271-A351 WeakPolarHBondContact O-CB 3.25Å; A351-V353 PolarHBondContact O-N 3.13Å
352	A	67.8	Low	87.6	Confident	7 Å²	7	34.5 Å²	34.5	6%	0.058	18%	0.181	C	C	.	.	S	Bend	trans	63.2	-27	177.3	0	0	0	0	0	115.9	A271 Y296 L391 L403 H404	A271-A352 PolarHBondContact O-N 3.36Å; Y296-A352 PolarHBondContact OH-O 3.43Å; A352-L391 HydrophobicContact CB-CD2 4.14Å; A352-L403 CarbonylContact O-C 3.58Å; A352-L403 VanDerWaalsContact O-CA 3.32Å; A352-L403 WeakPolarHBondContact O-CA 3.43Å; A352-H404 PolarHBondContact O-N 3.35Å
353	V	71.3	Confident	87.2	Confident	26 Å²	26	35.4 Å²	35.4	16%	0.158	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-107.8	134.4	176.5	-179.3	0	0	0	0	109.8	L273 A351 G355 L358 R402 L403	L273-V353 WeakPolarHBondContact CD1-O 3.39Å; A351-V353 PolarHBondContact O-N 3.13Å; V353-G355 PolarHBondContact O-N 2.88Å; V353-L358 HydrophobicContact CG1-CD2 3.7Å; V353-L358 HydrophobicContact CG1-CG 4.18Å; V353-R402 WeakPolarHBondContact CA-O 3.36Å; V353-L403 HydrophobicContact CG2-CD2 3.89Å
354	D	68.3	Low	86.8	Confident	85 Å²	85	35.7 Å²	35.7	46%	0.455	19%	0.192	S	C	.	.	S	Bend	trans	-75.2	92.8	178.7	-171.9	10.5	0	0	0	109.9	Y296 R402	Y296-D354 HydrophobicContact CE2-CB 4.19Å; Y296-D354 WeakPolarHBondContact OH-CA 3.13Å; Y296-D354 PolarHBondContact OH-N 3.1Å; D354-R402 PolarHBondContact N-O 3.49Å
355	G	77.9	Confident	86.6	Confident	19 Å²	19	38.5 Å²	38.5	20%	0.196	21%	0.207	C	C	.	.			trans	133.3	114.2	172.8	0	0	0	0	0	114	V353 R357 L358 A359	V353-G355 PolarHBondContact O-N 2.88Å; G355-R357 VanDerWaalsContact C-N 3.32Å; G355-R357 PolarHBondContact O-N 2.91Å; G355-L358 PolarHBondContact O-N 3.05Å; G355-A359 PolarHBondContact O-N 3.28Å; G355-A359 VanDerWaalsContact O-N 3.11Å
356	H	86.4	Confident	86.1	Confident	32 Å²	32	38.6 Å²	38.6	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-53.5	-44.7	175.7	170.5	84.6	0	0	0	112.6	F275 A294 G338 S348 Y350 L358 A359 H360	F275-H356 HydrophobicContact CE1-CB 4.19Å; F275-H356 AromaticContact CZ-ND1 3.84Å; A294-H356 HydrophobicContact CB-CB 3.84Å; G338-H356 PolarHBondContact O-CE1 2.84Å; G338-H356 VanDerWaalsContact O-CE1 3.25Å; S348-H356 PolarHBondContact OG-ND1 2.9Å; Y350-H356 AromaticContact CD2-ND1 3.73Å; Y350-H356 AromaticContact CE2-CE1 3.97Å; H356-L358 PolarHBondContact O-N 3.1Å; H356-A359 PolarHBondContact O-N 3.19Å; H356-H360 WeakPolarHBondContact O-CB 3.39Å; H356-H360 PolarHBondContact O-N 2.77Å
357	R	86.9	Confident	85.7	Confident	208 Å²	208	40.7 Å²	40.7	79%	0.785	22%	0.216	S	C	*	.	H	α-helix	trans	-62.6	-42.7	-178.3	-70.9	-175.3	176.6	-179.4	-0.9	112.6	G355 H360 Q361	G355-R357 VanDerWaalsContact C-N 3.32Å; G355-R357 PolarHBondContact O-N 2.91Å; R357-H360 PolarHBondContact O-N 3.22Å; R357-Q361 VanDerWaalsContact O-CG 3.3Å; R357-Q361 WeakPolarHBondContact O-CG 3.48Å; R357-Q361 PolarHBondContact O-N 3.25Å
358	L	85.7	Confident	85.3	Confident	54 Å²	54	45 Å²	45	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-48	179.7	179.3	61.8	0	0	0	110.5	V353 G355 H356 H360 Q361 A362	V353-L358 HydrophobicContact CG1-CD2 3.7Å; V353-L358 HydrophobicContact CG1-CG 4.18Å; G355-L358 PolarHBondContact O-N 3.05Å; H356-L358 PolarHBondContact O-N 3.1Å; L358-H360 VanDerWaalsContact C-N 3.33Å; L358-H360 PolarHBondContact O-N 3.24Å; L358-Q361 PolarHBondContact O-N 2.96Å; L358-A362 PolarHBondContact O-N 3.07Å
359	A	85.3	Confident	84.9	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-45.1	175.1	0	0	0	0	0	111.2	Y350 G355 H356 Q361 A362 F363	Y350-A359 HydrophobicContact CD1-CB 4.09Å; Y350-A359 HydrophobicContact CD2-CB 3.87Å; Y350-A359 HydrophobicContact CG-CB 3.58Å; G355-A359 PolarHBondContact O-N 3.28Å; G355-A359 VanDerWaalsContact O-N 3.11Å; H356-A359 PolarHBondContact O-N 3.19Å; A359-Q361 VanDerWaalsContact C-N 3.31Å; A359-Q361 PolarHBondContact O-N 3.29Å; A359-A362 WeakPolarHBondContact O-CB 3.45Å; A359-A362 PolarHBondContact O-N 3.38Å; A359-A362 VanDerWaalsContact O-N 3.11Å; A359-F363 VanDerWaalsContact O-CD2 3.28Å; A359-F363 WeakPolarHBondContact O-CD2 3.43Å; A359-F363 PolarHBondContact O-N 3.26Å
360	H	89.3	Confident	84.3	Confident	41 Å²	41	50.1 Å²	50.1	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-40.3	179.3	-166.2	69.1	0	0	0	112.9	Q337 Y350 H356 R357 L358 F363 A364 R367	Q337-H360 PolarHBondContact O-CE1 2.71Å; Q337-H360 VanDerWaalsContact O-CE1 3.24Å; Y350-H360 HydrophobicContact CD2-CB 4.45Å; Y350-H360 HydrophobicContact CE2-CB 3.64Å; Y350-H360 AromaticContact CE2-CG 3.97Å; Y350-H360 AromaticContact CE2-ND1 3.48Å; Y350-H360 WeakPolarHBondContact CE2-ND1 3.42Å; Y350-H360 AromaticContact CZ-ND1 3.6Å; Y350-H360 PolarHBondContact OH-ND1 3.3Å; H356-H360 WeakPolarHBondContact O-CB 3.39Å; H356-H360 PolarHBondContact O-N 2.77Å; R357-H360 PolarHBondContact O-N 3.22Å; L358-H360 VanDerWaalsContact C-N 3.33Å; L358-H360 PolarHBondContact O-N 3.24Å; H360-F363 PolarHBondContact O-N 2.97Å; H360-A364 PolarHBondContact O-N 3.44Å; H360-R367 PolarHBondContact CD2-NH2 3.22Å; H360-R367 PolarHBondContact CE1-NH1 3.26Å; H360-R367 PolarHBondContact CE1-NH2 2.91Å; H360-R367 VanDerWaalsContact NE2-CZ 3.29Å; H360-R367 PolarHBondContact NE2-NH1 3.09Å; H360-R367 PolarHBondContact NE2-NH2 2.69Å; H360-R367 PolarHBondContact O-NH2 3.29Å
361	Q	89.4	Confident	83.8	Confident	131 Å²	131	59.2 Å²	59.2	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-65.7	-44.9	173.4	-74.1	172.2	-13.6	0	0	111.6	R357 L358 A359 F363 A364	R357-Q361 VanDerWaalsContact O-CG 3.3Å; R357-Q361 WeakPolarHBondContact O-CG 3.48Å; R357-Q361 PolarHBondContact O-N 3.25Å; L358-Q361 PolarHBondContact O-N 2.96Å; A359-Q361 VanDerWaalsContact C-N 3.31Å; A359-Q361 PolarHBondContact O-N 3.29Å; Q361-F363 PolarHBondContact O-N 3.04Å; Q361-A364 WeakPolarHBondContact O-CB 3.48Å; Q361-A364 PolarHBondContact O-N 3.49Å
362	A	87.1	Confident	83.3	Confident	38 Å²	38	68.3 Å²	68.3	31%	0.314	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-34.4	177.2	0	0	0	0	0	112.3	L358 A359 P365 Y386 L390	L358-A362 PolarHBondContact O-N 3.07Å; A359-A362 WeakPolarHBondContact O-CB 3.45Å; A359-A362 PolarHBondContact O-N 3.38Å; A359-A362 VanDerWaalsContact O-N 3.11Å; A362-P365 WeakPolarHBondContact O-CD 3.42Å; A362-Y386 PolarHBondContact O-OH 3.27Å; A362-L390 HydrophobicContact CB-CD1 3.99Å; A362-L390 HydrophobicContact CB-CD2 4.29Å
363	F	89.4	Confident	83.7	Confident	20 Å²	20	71.8 Å²	71.8	9%	0.088	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4.6	175.4	-77.2	-84.1	0	0	0	114.2	L245 L334 Y350 A359 H360 Q361 L366 R367 Y386 L390	L245-F363 HydrophobicContact CD1-CE1 4.06Å; L245-F363 HydrophobicContact CD1-CE2 4.38Å; L245-F363 HydrophobicContact CD1-CZ 3.89Å; L245-F363 HydrophobicContact CD2-CD1 4.06Å; L245-F363 HydrophobicContact CD2-CE1 3.47Å; L245-F363 VanDerWaalsContact CD2-CE1 3.47Å; L245-F363 HydrophobicContact CD2-CZ 4.09Å; L245-F363 HydrophobicContact CG-CE1 4.41Å; L334-F363 HydrophobicContact CD2-CD1 4.49Å; Y350-F363 AromaticContact CD1-CD2 3.6Å; Y350-F363 HydrophobicContact CD1-CD2 3.6Å; Y350-F363 AromaticContact CD1-CE2 3.88Å; Y350-F363 HydrophobicContact CD1-CE2 3.88Å; Y350-F363 HydrophobicContact CD1-CG 4.31Å; Y350-F363 HydrophobicContact CE1-CB 3.81Å; Y350-F363 AromaticContact CE1-CD2 3.41Å; Y350-F363 HydrophobicContact CE1-CD2 3.41Å; Y350-F363 VanDerWaalsContact CE1-CD2 3.41Å; Y350-F363 HydrophobicContact CE1-CE2 4.11Å; Y350-F363 AromaticContact CE1-CG 3.69Å; Y350-F363 HydrophobicContact CE1-CG 3.69Å; A359-F363 VanDerWaalsContact O-CD2 3.28Å; A359-F363 WeakPolarHBondContact O-CD2 3.43Å; A359-F363 PolarHBondContact O-N 3.26Å; H360-F363 PolarHBondContact O-N 2.97Å; Q361-F363 PolarHBondContact O-N 3.04Å; F363-L366 HydrophobicContact CD1-CD2 3.92Å; F363-L366 HydrophobicContact CE1-CD2 4.31Å; F363-L366 PolarHBondContact O-N 3.17Å; F363-R367 WeakPolarHBondContact O-CG 3.19Å; F363-R367 PolarHBondContact O-N 3.3Å; F363-R367 VanDerWaalsContact O-N 3.12Å; F363-R367 PolarHBondContact O-NE 3.01Å; F363-Y386 AromaticContact CD1-CD1 3.69Å; F363-Y386 HydrophobicContact CD1-CD1 3.69Å; F363-Y386 AromaticContact CD1-CE1 3.86Å; F363-Y386 HydrophobicContact CD1-CE1 3.86Å; F363-Y386 AromaticContact CE1-CD1 3.72Å; F363-Y386 HydrophobicContact CE1-CD1 3.72Å; F363-Y386 HydrophobicContact CE1-CE1 4.25Å; F363-Y386 HydrophobicContact CG-CE1 4.44Å; F363-L390 HydrophobicContact CD1-CD1 4.11Å; F363-L390 HydrophobicContact CD2-CD1 3.89Å; F363-L390 HydrophobicContact CE1-CD1 3.89Å; F363-L390 HydrophobicContact CE2-CD1 3.66Å; F363-L390 HydrophobicContact CG-CD1 4.12Å; F363-L390 HydrophobicContact CZ-CD1 3.66Å
364	A	90.3	Very high	83.4	Confident	41 Å²	41	72.2 Å²	72.2	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-41.5	177.6	0	0	0	0	0	113.7	H360 Q361 L366 R367 L368	H360-A364 PolarHBondContact O-N 3.44Å; Q361-A364 WeakPolarHBondContact O-CB 3.48Å; Q361-A364 PolarHBondContact O-N 3.49Å; A364-L366 PolarHBondContact O-N 2.67Å; A364-R367 PolarHBondContact O-N 2.71Å; A364-L368 PolarHBondContact O-N 3.01Å
365	P	90.9	Very high	83	Confident	74 Å²	74	70.8 Å²	70.8	48%	0.481	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177.3	-23.4	35	0	0	0	112.7	A362 R367 L368 L369 Y386	A362-P365 WeakPolarHBondContact O-CD 3.42Å; P365-R367 VanDerWaalsContact C-N 3.31Å; P365-R367 PolarHBondContact O-N 3.28Å; P365-L368 PolarHBondContact O-N 3.42Å; P365-L369 WeakPolarHBondContact O-CB 3.48Å; P365-L369 PolarHBondContact O-N 2.88Å; P365-Y386 WeakPolarHBondContact CG-OH 3.34Å
366	L	86.9	Confident	81.6	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-42.1	176.4	-178.4	65.5	0	0	0	111.4	T243 L245 L334 F363 A364 L369 H370 W385 Y386	T243-L366 HydrophobicContact CG2-CD2 4.5Å; L245-L366 HydrophobicContact CD2-CD2 4.42Å; L334-L366 HydrophobicContact CD2-CD2 4.03Å; F363-L366 HydrophobicContact CD1-CD2 3.92Å; F363-L366 HydrophobicContact CE1-CD2 4.31Å; F363-L366 PolarHBondContact O-N 3.17Å; A364-L366 PolarHBondContact O-N 2.67Å; L366-L369 PolarHBondContact O-N 3.21Å; L366-H370 PolarHBondContact O-N 3.41Å; L366-W385 HydrophobicContact CD1-CZ2 4.39Å; L366-Y386 HydrophobicContact CB-CD1 3.79Å; L366-Y386 HydrophobicContact CB-CD2 4.38Å; L366-Y386 HydrophobicContact CB-CE1 3.81Å; L366-Y386 HydrophobicContact CB-CE2 4.44Å; L366-Y386 HydrophobicContact CB-CG 4.08Å; L366-Y386 HydrophobicContact CD1-CG 4.24Å; L366-Y386 HydrophobicContact CD2-CD1 3.85Å; L366-Y386 HydrophobicContact CD2-CG 4.09Å; L366-Y386 HydrophobicContact CG-CD1 4.31Å; L366-Y386 HydrophobicContact CG-CG 4.36Å
367	R	88.4	Confident	79.9	Confident	44 Å²	44	74.2 Å²	74.2	17%	0.166	39%	0.392	C	S	.	.	H	α-helix	trans	-67.3	-36.3	178.1	-69.2	-176.5	-66.1	140.8	-4.9	112.6	M242 L334 R336 H360 F363 A364 P365 R371	M242-R367 HydrophobicContact CE-CB 3.92Å; M242-R367 HydrophobicContact CE-CG 4.05Å; M242-R367 WeakPolarHBondContact CE-O 3.35Å; M242-R367 HydrophobicContact SD-CB 4.16Å; M242-R367 HydrophobicContact SD-CG 3.72Å; L334-R367 HydrophobicContact CD2-CG 4.22Å; R336-R367 PolarHBondContact O-NH1 3.09Å; R336-R367 VanDerWaalsContact O-NH1 3.15Å; H360-R367 PolarHBondContact CD2-NH2 3.22Å; H360-R367 PolarHBondContact CE1-NH1 3.26Å; H360-R367 PolarHBondContact CE1-NH2 2.91Å; H360-R367 VanDerWaalsContact NE2-CZ 3.29Å; H360-R367 PolarHBondContact NE2-NH1 3.09Å; H360-R367 PolarHBondContact NE2-NH2 2.69Å; H360-R367 PolarHBondContact O-NH2 3.29Å; F363-R367 WeakPolarHBondContact O-CG 3.19Å; F363-R367 PolarHBondContact O-N 3.3Å; F363-R367 VanDerWaalsContact O-N 3.12Å; F363-R367 PolarHBondContact O-NE 3.01Å; A364-R367 PolarHBondContact O-N 2.71Å; P365-R367 VanDerWaalsContact C-N 3.31Å; P365-R367 PolarHBondContact O-N 3.28Å; R367-R371 PolarHBondContact O-N 3.2Å
368	L	87.4	Confident	78	Confident	91 Å²	91	70.7 Å²	70.7	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-43	174.7	-176.8	64.1	0	0	0	111.1	A364 P365 R371 W372	A364-L368 PolarHBondContact O-N 3.01Å; P365-L368 PolarHBondContact O-N 3.42Å; L368-R371 WeakPolarHBondContact O-CB 3.5Å; L368-R371 PolarHBondContact O-N 3.29Å; L368-R371 VanDerWaalsContact O-N 3.15Å; L368-W372 PolarHBondContact O-N 3.44Å
369	L	85.6	Confident	76.5	Confident	85 Å²	85	74.5 Å²	74.5	45%	0.445	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-50.8	177.4	-175.7	66.8	0	0	0	111.1	P365 L366 R371 W372 T373	P365-L369 WeakPolarHBondContact O-CB 3.48Å; P365-L369 PolarHBondContact O-N 2.88Å; L366-L369 PolarHBondContact O-N 3.21Å; L369-R371 PolarHBondContact O-N 2.91Å; L369-W372 PolarHBondContact O-N 3.24Å; L369-T373 HydrophobicContact CD1-CG2 3.87Å; L369-T373 HydrophobicContact CG-CG2 4.25Å; L369-T373 PolarHBondContact O-N 3.15Å; L369-T373 PolarHBondContact O-OG1 3.42Å
370	H	82.1	Confident	75.1	Confident	26 Å²	26	75.7 Å²	75.7	12%	0.12	41%	0.413	C	S	.	.	H	α-helix	trans	-60.1	-30.8	176.9	-105	-89.4	0	0	0	113.6	M242 L366 W372 G374	M242-H370 HydrophobicContact CE-CB 3.29Å; M242-H370 PolarHBondContact O-CE1 2.92Å; L366-H370 PolarHBondContact O-N 3.41Å; H370-W372 PolarHBondContact O-N 2.89Å; H370-G374 PolarHBondContact ND1-O 2.84Å; H370-G374 CarbonylContact O-C 3.57Å; H370-G374 VanDerWaalsContact O-CA 3.25Å; H370-G374 WeakPolarHBondContact O-CA 3.45Å; H370-G374 PolarHBondContact O-N 2.89Å
371	R	78.6	Confident	74	Confident	192 Å²	192	78.9 Å²	78.9	73%	0.725	43%	0.431	S	S	*	.	H	α-helix	trans	-65.9	-29	174.7	-170.8	-178	174.3	-165.8	-2.4	111.8	R367 L368 L369	R367-R371 PolarHBondContact O-N 3.2Å; L368-R371 WeakPolarHBondContact O-CB 3.5Å; L368-R371 PolarHBondContact O-N 3.29Å; L368-R371 VanDerWaalsContact O-N 3.15Å; L369-R371 PolarHBondContact O-N 2.91Å
372	W	75	Confident	73.1	Confident	212 Å²	212	76 Å²	76	80%	0.803	43%	0.426	S	S	*	.	H	α-helix	trans	-94.1	-42.4	-177.8	-76.6	19.6	0	0	0	112.9	L368 L369 H370 G374	L368-W372 PolarHBondContact O-N 3.44Å; L369-W372 PolarHBondContact O-N 3.24Å; H370-W372 PolarHBondContact O-N 2.89Å; W372-G374 VanDerWaalsContact C-N 3.35Å
373	T	75.5	Confident	72.3	Confident	80 Å²	80	76.9 Å²	76.9	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-87.1	-7.7	-177.5	59.7	0	0	0	0	113.1	L369	L369-T373 HydrophobicContact CD1-CG2 3.87Å; L369-T373 HydrophobicContact CG-CG2 4.25Å; L369-T373 PolarHBondContact O-N 3.15Å; L369-T373 PolarHBondContact O-OG1 3.42Å
374	G	65.6	Low	71.8	Confident	34 Å²	34	76.6 Å²	76.6	35%	0.351	42%	0.424	S	S	.	.			trans	67	-175.4	-165.2	0	0	0	0	0	111.9	H370 W372 A376	H370-G374 PolarHBondContact ND1-O 2.84Å; H370-G374 CarbonylContact O-C 3.57Å; H370-G374 VanDerWaalsContact O-CA 3.25Å; H370-G374 WeakPolarHBondContact O-CA 3.45Å; H370-G374 PolarHBondContact O-N 2.89Å; W372-G374 VanDerWaalsContact C-N 3.35Å; G374-A376 PolarHBondContact O-N 3.02Å
375	S	60.1	Low	71.3	Confident	55 Å²	55	80.2 Å²	80.2	39%	0.385	43%	0.429	S	S	.	.	S	Bend	trans	-73	57.3	173.5	-63.2	0	0	0	0	111.2	G377	S375-G377 VanDerWaalsContact C-N 3.29Å; S375-G377 PolarHBondContact O-N 3.1Å
376	A	47.1	Very low	70.8	Confident	74 Å²	74	78.3 Å²	78.3	61%	0.612	41%	0.412	S	S	*	.			trans	-73.7	84.3	175.9	0	0	0	0	0	110.1	G374	G374-A376 PolarHBondContact O-N 3.02Å
377	G	51.9	Low	70.3	Confident	50 Å²	50	78.5 Å²	78.5	52%	0.515	41%	0.414	S	S	.	.			trans	38.3	86.2	144	0	0	0	0	0	118.5	S375	S375-G377 VanDerWaalsContact C-N 3.29Å; S375-G377 PolarHBondContact O-N 3.1Å
378	H	47.4	Very low	69.5	Low	134 Å²	134	81.6 Å²	81.6	62%	0.62	43%	0.426	S	S	*	.			trans	-129.7	95.2	144.4	-131	58.4	0	0	0	109.2	G380	H378-G380 VanDerWaalsContact C-N 3.3Å; H378-G380 PolarHBondContact O-N 3.2Å
379	H	53.3	Low	68.9	Low	134 Å²	134	81 Å²	81	62%	0.62	42%	0.422	S	S	*	.			trans	-96.3	57.8	174.5	-70	77.5	0	0	0	109.1
380	G	55.6	Low	68.5	Low	29 Å²	29	78.8 Å²	78.8	30%	0.299	41%	0.41	S	S	.	.			trans	-79.2	134.1	171.3	0	0	0	0	0	110.1	H378 S382	H378-G380 VanDerWaalsContact C-N 3.3Å; H378-G380 PolarHBondContact O-N 3.2Å; G380-S382 PolarHBondContact O-N 3.03Å
381	N	66.5	Low	67.9	Low	108 Å²	108	79.5 Å²	79.5	58%	0.578	42%	0.415	S	S	*	.	S	Bend	trans	-80.8	57.9	167.1	-73.5	-17.1	0	0	0	109.8	R247	R247-N381 CarbonylContact O-C 3.58Å; R247-N381 WeakPolarHBondContact O-CA 3.03Å
382	S	69.6	Low	67.3	Low	70 Å²	70	77.8 Å²	77.8	49%	0.49	41%	0.409	S	S	.	.	S	Bend	trans	-166.8	178.2	-178.7	59.2	0	0	0	0	112	R247 G380 H384	R247-S382 PolarHBondContact O-N 3.24Å; G380-S382 PolarHBondContact O-N 3.03Å; S382-H384 PolarHBondContact O-N 3.09Å
383	L	70.4	Confident	67	Low	57 Å²	57	71.2 Å²	71.2	30%	0.298	39%	0.389	S	S	.	.			trans	-60.1	128	176	-174	71.5	0	0	0	111.3	L245 D246 R388 L391	L245-L383 WeakPolarHBondContact O-CD1 3.43Å; D246-L383 HydrophobicContact CB-CD1 4.13Å; D246-L383 PolarHBondContact OD1-N 2.82Å; L383-R388 HydrophobicContact CB-CG 4.36Å; L383-R388 HydrophobicContact CD2-CB 4.5Å; L383-R388 HydrophobicContact CD2-CG 3.5Å; L383-R388 HydrophobicContact CG-CG 3.93Å; L383-L391 HydrophobicContact CD2-CD1 3.89Å
384	H	79.8	Confident	66.2	Low	14 Å²	14	67.7 Å²	67.7	7%	0.065	37%	0.369	C	S	.	.			trans	-60	137.6	-179.5	-167.5	-86.9	0	0	0	111.4	L245 S382 Y386 S387 R388	L245-H384 WeakPolarHBondContact O-CB 3.46Å; L245-H384 PolarHBondContact O-N 2.89Å; S382-H384 PolarHBondContact O-N 3.09Å; H384-Y386 WeakPolarHBondContact ND1-CB 3.42Å; H384-Y386 PolarHBondContact ND1-N 2.93Å; H384-Y386 PolarHBondContact O-N 2.91Å; H384-Y386 VanDerWaalsContact O-N 3.12Å; H384-S387 WeakPolarHBondContact O-CA 3.27Å; H384-S387 VanDerWaalsContact O-CB 3.29Å; H384-S387 WeakPolarHBondContact O-CB 3.44Å; H384-S387 PolarHBondContact O-N 2.67Å; H384-R388 PolarHBondContact O-N 2.9Å
385	W	79.6	Confident	66	Low	118 Å²	118	71.3 Å²	71.3	45%	0.447	37%	0.372	S	S	.	.	H	α-helix	trans	-52.8	-39.8	-176.4	68	-93.6	0	0	0	112.9	L366 S387 R388 I389	L366-W385 HydrophobicContact CD1-CZ2 4.39Å; W385-S387 PolarHBondContact O-N 3.47Å; W385-R388 WeakPolarHBondContact O-CB 2.81Å; W385-R388 PolarHBondContact O-N 2.83Å; W385-I389 HydrophobicContact CE3-CD1 3.63Å; W385-I389 HydrophobicContact CZ3-CD1 3.75Å; W385-I389 PolarHBondContact O-N 3.03Å
386	Y	80.6	Confident	66.2	Low	33 Å²	33	73.5 Å²	73.5	13%	0.129	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-38.7	178.5	-166.6	-98.9	0	0	0	112	A362 F363 P365 L366 H384 R388 I389 L390	A362-Y386 PolarHBondContact O-OH 3.27Å; F363-Y386 AromaticContact CD1-CD1 3.69Å; F363-Y386 HydrophobicContact CD1-CD1 3.69Å; F363-Y386 AromaticContact CD1-CE1 3.86Å; F363-Y386 HydrophobicContact CD1-CE1 3.86Å; F363-Y386 AromaticContact CE1-CD1 3.72Å; F363-Y386 HydrophobicContact CE1-CD1 3.72Å; F363-Y386 HydrophobicContact CE1-CE1 4.25Å; F363-Y386 HydrophobicContact CG-CE1 4.44Å; P365-Y386 WeakPolarHBondContact CG-OH 3.34Å; L366-Y386 HydrophobicContact CB-CD1 3.79Å; L366-Y386 HydrophobicContact CB-CD2 4.38Å; L366-Y386 HydrophobicContact CB-CE1 3.81Å; L366-Y386 HydrophobicContact CB-CE2 4.44Å; L366-Y386 HydrophobicContact CB-CG 4.08Å; L366-Y386 HydrophobicContact CD1-CG 4.24Å; L366-Y386 HydrophobicContact CD2-CD1 3.85Å; L366-Y386 HydrophobicContact CD2-CG 4.09Å; L366-Y386 HydrophobicContact CG-CD1 4.31Å; L366-Y386 HydrophobicContact CG-CG 4.36Å; H384-Y386 WeakPolarHBondContact ND1-CB 3.42Å; H384-Y386 PolarHBondContact ND1-N 2.93Å; H384-Y386 PolarHBondContact O-N 2.91Å; H384-Y386 VanDerWaalsContact O-N 3.12Å; Y386-R388 VanDerWaalsContact C-N 3.33Å; Y386-I389 PolarHBondContact O-N 2.58Å; Y386-L390 HydrophobicContact CD1-CD1 3.78Å; Y386-L390 HydrophobicContact CD1-CG 4.05Å; Y386-L390 HydrophobicContact CE1-CD1 3.41Å; Y386-L390 VanDerWaalsContact CE1-CD1 3.41Å; Y386-L390 HydrophobicContact CE1-CD2 4.27Å; Y386-L390 HydrophobicContact CE1-CG 3.75Å; Y386-L390 PolarHBondContact O-N 2.98Å
387	S	75.9	Confident	67.2	Low	8 Å²	8	75.2 Å²	75.2	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-39.9	173.8	-54.4	0	0	0	0	111	L245 H384 W385 L390 L391	L245-S387 PolarHBondContact O-OG 2.86Å; H384-S387 WeakPolarHBondContact O-CA 3.27Å; H384-S387 VanDerWaalsContact O-CB 3.29Å; H384-S387 WeakPolarHBondContact O-CB 3.44Å; H384-S387 PolarHBondContact O-N 2.67Å; W385-S387 PolarHBondContact O-N 3.47Å; S387-L390 PolarHBondContact O-N 3.37Å; S387-L391 WeakPolarHBondContact O-CB 2.85Å; S387-L391 VanDerWaalsContact O-CG 3.27Å; S387-L391 WeakPolarHBondContact O-CG 3.33Å; S387-L391 PolarHBondContact O-N 3.32Å
388	R	72.9	Confident	67.5	Low	109 Å²	109	75.3 Å²	75.3	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-47.6	174.7	-69.6	175	66.8	171.5	-1.9	111.7	L383 H384 W385 Y386 L391 W392 D412	L383-R388 HydrophobicContact CB-CG 4.36Å; L383-R388 HydrophobicContact CD2-CB 4.5Å; L383-R388 HydrophobicContact CD2-CG 3.5Å; L383-R388 HydrophobicContact CG-CG 3.93Å; H384-R388 PolarHBondContact O-N 2.9Å; W385-R388 WeakPolarHBondContact O-CB 2.81Å; W385-R388 PolarHBondContact O-N 2.83Å; Y386-R388 VanDerWaalsContact C-N 3.33Å; R388-L391 PolarHBondContact O-N 2.83Å; R388-W392 WeakPolarHBondContact O-CB 3.27Å; R388-W392 PolarHBondContact O-N 3.1Å; R388-D412 PolarHBondContact NH2-O 3.37Å
389	I	74.6	Confident	67.8	Low	80 Å²	80	74.3 Å²	74.3	41%	0.41	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.4	-66.2	174.7	0	0	0	111.1	W385 Y386 L391 W392 L393	W385-I389 HydrophobicContact CE3-CD1 3.63Å; W385-I389 HydrophobicContact CZ3-CD1 3.75Å; W385-I389 PolarHBondContact O-N 3.03Å; Y386-I389 PolarHBondContact O-N 2.58Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 2.66Å; I389-W392 WeakPolarHBondContact O-CB 3.44Å; I389-W392 PolarHBondContact O-N 3.47Å; I389-L393 HydrophobicContact CG2-CD1 3.92Å; I389-L393 HydrophobicContact CG2-CG 4.32Å; I389-L393 WeakPolarHBondContact O-CG 3.49Å; I389-L393 PolarHBondContact O-N 3.37Å
390	L	76.8	Confident	67.6	Low	37 Å²	37	73.5 Å²	73.5	19%	0.194	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-38.4	179.1	-76.5	-173.7	0	0	0	112.8	A362 F363 Y386 S387 W392 L393 G394	A362-L390 HydrophobicContact CB-CD1 3.99Å; A362-L390 HydrophobicContact CB-CD2 4.29Å; F363-L390 HydrophobicContact CD1-CD1 4.11Å; F363-L390 HydrophobicContact CD2-CD1 3.89Å; F363-L390 HydrophobicContact CE1-CD1 3.89Å; F363-L390 HydrophobicContact CE2-CD1 3.66Å; F363-L390 HydrophobicContact CG-CD1 4.12Å; F363-L390 HydrophobicContact CZ-CD1 3.66Å; Y386-L390 HydrophobicContact CD1-CD1 3.78Å; Y386-L390 HydrophobicContact CD1-CG 4.05Å; Y386-L390 HydrophobicContact CE1-CD1 3.41Å; Y386-L390 VanDerWaalsContact CE1-CD1 3.41Å; Y386-L390 HydrophobicContact CE1-CD2 4.27Å; Y386-L390 HydrophobicContact CE1-CG 3.75Å; Y386-L390 PolarHBondContact O-N 2.98Å; S387-L390 PolarHBondContact O-N 3.37Å; L390-W392 VanDerWaalsContact C-N 3.35Å; L390-L393 PolarHBondContact O-N 3.38Å; L390-G394 PolarHBondContact O-N 3.19Å
391	L	68.4	Low	67.2	Low	41 Å²	41	75.3 Å²	75.3	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-64.5	-41.6	174.2	-73.5	169.5	0	0	0	111	A352 L383 S387 R388 I389 G394 R395	A352-L391 HydrophobicContact CB-CD2 4.14Å; L383-L391 HydrophobicContact CD2-CD1 3.89Å; S387-L391 WeakPolarHBondContact O-CB 2.85Å; S387-L391 VanDerWaalsContact O-CG 3.27Å; S387-L391 WeakPolarHBondContact O-CG 3.33Å; S387-L391 PolarHBondContact O-N 3.32Å; R388-L391 PolarHBondContact O-N 2.83Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 2.66Å; L391-G394 PolarHBondContact O-N 3.38Å; L391-R395 VanDerWaalsContact O-CG 3.32Å; L391-R395 WeakPolarHBondContact O-CG 3.19Å; L391-R395 PolarHBondContact O-N 3.49Å; L391-R395 VanDerWaalsContact O-N 3.14Å
392	W	66.9	Low	66.6	Low	157 Å²	157	76 Å²	76	60%	0.595	39%	0.393	S	S	*	.	H	α-helix	trans	-61.9	-50.1	174.4	179.7	84.9	0	0	0	112.1	R388 I389 L390 G394 R395 V396	R388-W392 WeakPolarHBondContact O-CB 3.27Å; R388-W392 PolarHBondContact O-N 3.1Å; I389-W392 WeakPolarHBondContact O-CB 3.44Å; I389-W392 PolarHBondContact O-N 3.47Å; L390-W392 VanDerWaalsContact C-N 3.35Å; W392-G394 VanDerWaalsContact C-N 3.34Å; W392-G394 PolarHBondContact O-N 3.15Å; W392-R395 WeakPolarHBondContact O-CB 3.49Å; W392-R395 PolarHBondContact O-N 3.19Å; W392-V396 HydrophobicContact CZ2-CG2 4.45Å; W392-V396 PolarHBondContact O-N 3.19Å
393	L	67.9	Low	66	Low	73 Å²	73	73.4 Å²	73.4	38%	0.382	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-42.1	176.7	-74.6	172.7	0	0	0	112.1	I389 L390 R395 V396 V397	I389-L393 HydrophobicContact CG2-CD1 3.92Å; I389-L393 HydrophobicContact CG2-CG 4.32Å; I389-L393 WeakPolarHBondContact O-CG 3.49Å; I389-L393 PolarHBondContact O-N 3.37Å; L390-L393 PolarHBondContact O-N 3.38Å; L393-R395 VanDerWaalsContact C-N 3.27Å; L393-R395 PolarHBondContact O-N 3.34Å; L393-V396 PolarHBondContact O-N 2.86Å; L393-V396 VanDerWaalsContact O-N 3.09Å; L393-V397 WeakPolarHBondContact O-CB 3.16Å; L393-V397 WeakPolarHBondContact O-CG2 3.13Å; L393-V397 PolarHBondContact O-N 3.45Å
394	G	60.2	Low	64.9	Low	7 Å²	7	71.8 Å²	71.8	7%	0.072	36%	0.364	C	S	.	.	H	α-helix	trans	-58.5	-38.4	177.7	0	0	0	0	0	112.4	L390 L391 W392 V396 L398	L390-G394 PolarHBondContact O-N 3.19Å; L391-G394 PolarHBondContact O-N 3.38Å; W392-G394 VanDerWaalsContact C-N 3.34Å; W392-G394 PolarHBondContact O-N 3.15Å; G394-V396 VanDerWaalsContact C-N 3.31Å; G394-V396 PolarHBondContact O-N 3.49Å; G394-L398 VanDerWaalsContact O-CB 3.28Å; G394-L398 WeakPolarHBondContact O-CB 3.44Å; G394-L398 PolarHBondContact O-N 3.28Å
395	R	60.9	Low	63.3	Low	109 Å²	109	74.4 Å²	74.4	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-34.3	175.8	-70.8	170.8	-175.4	172.3	3.9	112.9	L391 W392 L393 I408 Q410	L391-R395 VanDerWaalsContact O-CG 3.32Å; L391-R395 WeakPolarHBondContact O-CG 3.19Å; L391-R395 PolarHBondContact O-N 3.49Å; L391-R395 VanDerWaalsContact O-N 3.14Å; W392-R395 WeakPolarHBondContact O-CB 3.49Å; W392-R395 PolarHBondContact O-N 3.19Å; L393-R395 VanDerWaalsContact C-N 3.27Å; L393-R395 PolarHBondContact O-N 3.34Å; R395-I408 PolarHBondContact NH2-O 3.28Å; R395-Q410 PolarHBondContact NH2-O 2.97Å
396	V	64.9	Low	61.8	Low	101 Å²	101	69.3 Å²	69.3	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-83.6	-34.1	-176.9	179	0	0	0	0	111.5	W392 L393 G394	W392-V396 HydrophobicContact CZ2-CG2 4.45Å; W392-V396 PolarHBondContact O-N 3.19Å; L393-V396 PolarHBondContact O-N 2.86Å; L393-V396 VanDerWaalsContact O-N 3.09Å; G394-V396 VanDerWaalsContact C-N 3.31Å; G394-V396 PolarHBondContact O-N 3.49Å
397	V	66.8	Low	59.8	Low	111 Å²	111	68.1 Å²	68.1	67%	0.673	36%	0.362	S	S	*	.	H	α-helix	trans	-110.3	-29.1	-165.2	-177.6	0	0	0	0	113.9	L393	L393-V397 WeakPolarHBondContact O-CB 3.16Å; L393-V397 WeakPolarHBondContact O-CG2 3.13Å; L393-V397 PolarHBondContact O-N 3.45Å
398	L	58.5	Low	58.3	Low	51 Å²	51	70.4 Å²	70.4	27%	0.267	37%	0.373	S	S	.	.	S	Bend	trans	-93	144.2	-174.7	-61	173.9	0	0	0	112.2	G394 L403	G394-L398 VanDerWaalsContact O-CB 3.28Å; G394-L398 WeakPolarHBondContact O-CB 3.44Å; G394-L398 PolarHBondContact O-N 3.28Å; L398-L403 HydrophobicContact CD1-CD2 4.35Å
399	D	53.5	Low	56.7	Low	113 Å²	113	67 Å²	67	60%	0.604	37%	0.368	S	S	*	.			trans	-53.9	139.3	169.6	-68.3	-39.2	0	0	0	110.5	G401 R402	D399-G401 PolarHBondContact O-N 3.43Å; D399-R402 PolarHBondContact O-N 3.16Å
400	P	49.2	Very low	55.1	Low	118 Å²	118	69.1 Å²	69.1	77%	0.766	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-54.4	-23.7	-177.6	-27.6	33.5	0	0	0	114.9
401	G	47.6	Very low	52.9	Low	67 Å²	67	70.2 Å²	70.2	69%	0.691	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-79.7	-7.1	178.5	0	0	0	0	0	115.7	D399	D399-G401 PolarHBondContact O-N 3.43Å
402	R	54	Low	50.8	Low	121 Å²	121	74.1 Å²	74.1	46%	0.457	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-95.8	-10.6	178.5	-68.8	-162	-178.5	-160.8	2.7	114	V353 D354 D399	V353-R402 WeakPolarHBondContact CA-O 3.36Å; D354-R402 PolarHBondContact N-O 3.49Å; D399-R402 PolarHBondContact O-N 3.16Å
403	L	55.8	Low	49	Very low	16 Å²	16	79.1 Å²	79.1	8%	0.084	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-99.9	136.9	172.6	-67.7	170.9	0	0	0	108.7	A352 V353 L398 I408	A352-L403 CarbonylContact O-C 3.58Å; A352-L403 VanDerWaalsContact O-CA 3.32Å; A352-L403 WeakPolarHBondContact O-CA 3.43Å; V353-L403 HydrophobicContact CG2-CD2 3.89Å; L398-L403 HydrophobicContact CD1-CD2 4.35Å; L403-I408 HydrophobicContact CB-CD1 4.33Å; L403-I408 HydrophobicContact CB-CG1 4.35Å
404	H	48	Very low	48.1	Very low	23 Å²	23	79.4 Å²	79.4	11%	0.106	45%	0.454	C	S	.	.			trans	-59.3	135.7	169.9	-162.7	-78.6	0	0	0	107.6	A271 Y296 A352 L406 G407	A271-H404 HydrophobicContact CB-CB 4.35Å; Y296-H404 HydrophobicContact CD1-CB 4.47Å; Y296-H404 AromaticContact CD1-CD2 3.43Å; Y296-H404 VanDerWaalsContact CD1-CD2 3.43Å; Y296-H404 WeakPolarHBondContact CD1-CD2 3.32Å; Y296-H404 AromaticContact CD2-CD2 3.4Å; Y296-H404 WeakPolarHBondContact CD2-CD2 3.23Å; Y296-H404 HydrophobicContact CE1-CB 3.79Å; Y296-H404 AromaticContact CE1-CD2 3.56Å; Y296-H404 HydrophobicContact CE2-CB 4.34Å; Y296-H404 AromaticContact CE2-CD2 3.52Å; Y296-H404 AromaticContact CG-CD2 3.3Å; Y296-H404 AromaticContact CG-NE2 3.9Å; Y296-H404 AromaticContact CZ-CD2 3.57Å; Y296-H404 PolarHBondContact OH-N 3.48Å; A352-H404 PolarHBondContact O-N 3.35Å; H404-L406 WeakPolarHBondContact CE1-CD1 3.4Å; H404-L406 WeakPolarHBondContact CE1-CG 3.35Å; H404-L406 WeakPolarHBondContact ND1-CB 3.28Å; H404-L406 WeakPolarHBondContact ND1-CG 3.44Å; H404-L406 PolarHBondContact ND1-N 3.22Å; H404-L406 PolarHBondContact O-N 3.25Å; H404-G407 PolarHBondContact O-N 3.29Å
405	P	45.4	Very low	47.4	Very low	70 Å²	70	83.2 Å²	83.2	46%	0.455	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-5.2	176.2	-26.9	33.9	0	0	0	115.7	R105	R105-P405 PolarHBondContact NH1-O 2.88Å
406	L	49.2	Very low	46.7	Very low	11 Å²	11	81.8 Å²	81.8	6%	0.058	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-14.4	-176.8	-57.6	178.2	0	0	0	113.7	A196 A197 A270 A271 H404 I408	A196-L406 HydrophobicContact CB-CD1 3.47Å; A196-L406 VanDerWaalsContact CB-CD1 3.47Å; A196-L406 HydrophobicContact CB-CD2 3.63Å; A196-L406 HydrophobicContact CB-CG 4.13Å; A196-L406 WeakPolarHBondContact O-CB 3.44Å; A197-L406 HydrophobicContact CB-CD2 4.32Å; A270-L406 HydrophobicContact CB-CD1 4.28Å; A271-L406 HydrophobicContact CB-CB 4.39Å; H404-L406 WeakPolarHBondContact CE1-CD1 3.4Å; H404-L406 WeakPolarHBondContact CE1-CG 3.35Å; H404-L406 WeakPolarHBondContact ND1-CB 3.28Å; H404-L406 WeakPolarHBondContact ND1-CG 3.44Å; H404-L406 PolarHBondContact ND1-N 3.22Å; H404-L406 PolarHBondContact O-N 3.25Å; L406-I408 PolarHBondContact O-N 3.34Å
407	G	38	Very low	45.6	Very low	8 Å²	8	80.6 Å²	80.6	8%	0.082	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	5.9	168.9	0	0	0	0	0	112.8	H404	H404-G407 PolarHBondContact O-N 3.29Å
408	I	44	Very low	44.3	Very low	56 Å²	56	78.8 Å²	78.8	29%	0.287	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-19.1	-171.3	-64.1	177.3	0	0	0	111.8	R395 L403 L406	R395-I408 PolarHBondContact NH2-O 3.28Å; L403-I408 HydrophobicContact CB-CD1 4.33Å; L403-I408 HydrophobicContact CB-CG1 4.35Å; L406-I408 PolarHBondContact O-N 3.34Å
409	A	39.2	Very low	43.3	Very low	37 Å²	37	80.6 Å²	80.6	31%	0.306	47%	0.469	S	S	.	.			trans	-101.6	130.7	172.9	0	0	0	0	0	108.9	A197	A197-A409 HydrophobicContact CB-CB 4.45Å; A197-A409 WeakPolarHBondContact O-CB 3.18Å
410	Q	42.3	Very low	42.6	Very low	125 Å²	125	78.3 Å²	78.3	58%	0.584	46%	0.46	S	S	*	.			cis	-139.7	172.9	25.7	-81.6	175.8	-60.3	0	0	111.6	K198 R395	K198-Q410 VanDerWaalsContact CE-NE2 3.33Å; K198-Q410 HydrophobicContact CG-CG 4.47Å; R395-Q410 PolarHBondContact NH2-O 2.97Å
411	G	30.8	Very low	42.1	Very low	60 Å²	60	75.2 Å²	75.2	62%	0.619	44%	0.436	S	S	*	.			trans	-86.3	151.1	166.6	0	0	0	0	0	112.5
412	D	23.9	Very low	41.6	Very low	122 Å²	122	75.9 Å²	75.9	65%	0.652	42%	0.415	S	S	*	.			trans	-136.2	104.5	148.3	-82.6	-24.9	0	0	0	104.1	R388	R388-D412 PolarHBondContact NH2-O 3.37Å
413	M	29.1	Very low	40.5	Very low	262 Å²	262	71.8 Å²	71.8	100%	1.291	41%	0.411	S	S	*	.			trans	-89.2	0	143.3	-97.3	-170.4	-76.6	0	0	106.4

Retrieved 413 of 413 residues in 697.5 ms (Link to these results)

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