A0A087YBX2_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 A0A087YBX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 411 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.7	Low	59.2	Low	210 Å²	210	134.5 Å²	134.5	100%	1.034	65%	0.645	S	S	*	*				0	-33.5	0	-83.4	178.1	160	0	0	114	Q3 R4	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.35Å; M1-R4 PolarHBondContact O-N 3.4Å
2	H	53.8	Low	59.8	Low	167 Å²	167	127.2 Å²	127.2	77%	0.773	62%	0.623	S	S	*	*	H	α-helix	trans	-58.8	-33.4	-179.2	-111.1	-43.9	0	0	0	116.1	R4 T6	H2-R4 PolarHBondContact O-N 3Å; H2-T6 PolarHBondContact O-N 3.45Å; H2-T6 PolarHBondContact O-OG1 3.31Å
3	Q	51.3	Low	60.3	Low	146 Å²	146	127.4 Å²	127.4	68%	0.682	63%	0.627	S	S	*	*	H	α-helix	trans	-77.1	-15.9	-173.9	-134.7	175.1	8.8	0	0	114.8	M1 T6 R7	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.35Å; Q3-T6 WeakPolarHBondContact CA-OG1 3.41Å; Q3-T6 PolarHBondContact O-OG1 3Å; Q3-R7 WeakPolarHBondContact O-CG 3.43Å
4	R	51.6	Low	60.6	Low	203 Å²	203	125.2 Å²	125.2	77%	0.766	62%	0.618	S	S	*	*	H	α-helix	trans	-85.8	-37	175.6	-77.9	-174.5	175.4	-177.7	-1.8	111.6	M1 H2 R7 I8	M1-R4 PolarHBondContact O-N 3.4Å; H2-R4 PolarHBondContact O-N 3Å; R4-R7 PolarHBondContact O-N 2.53Å; R4-I8 WeakPolarHBondContact O-CG1 3.27Å; R4-I8 PolarHBondContact O-N 3.45Å; R4-I8 VanDerWaalsContact O-N 3.09Å
5	W	54.8	Low	60.4	Low	189 Å²	189	122 Å²	122	72%	0.716	61%	0.611	S	S	*	*	H	α-helix	trans	-67.6	-37.1	176.1	-76.5	98.2	0	0	0	112.5	I8 A9	W5-I8 PolarHBondContact O-N 3.27Å; W5-A9 VanDerWaalsContact O-CB 3.32Å; W5-A9 WeakPolarHBondContact O-CB 3.44Å; W5-A9 PolarHBondContact O-N 3.39Å
6	T	60.9	Low	60.2	Low	75 Å²	75	122.8 Å²	122.8	46%	0.46	62%	0.617	S	S	.	*	H	α-helix	trans	-64.6	-40.6	174.3	48.3	0	0	0	0	111.9	H2 Q3 A9 S10	H2-T6 PolarHBondContact O-N 3.45Å; H2-T6 PolarHBondContact O-OG1 3.31Å; Q3-T6 WeakPolarHBondContact CA-OG1 3.41Å; Q3-T6 PolarHBondContact O-OG1 3Å; T6-A9 PolarHBondContact O-N 3.12Å; T6-S10 WeakPolarHBondContact O-CB 3.33Å; T6-S10 PolarHBondContact O-N 3.22Å; T6-S10 PolarHBondContact O-OG 2.93Å
7	R	59.4	Low	60.1	Low	174 Å²	174	120.8 Å²	120.8	66%	0.657	62%	0.617	S	S	*	*	H	α-helix	trans	-66.3	-39.5	176.6	-70.9	179.6	-178.1	-168.7	1.1	113	Q3 R4 S10 V11	Q3-R7 WeakPolarHBondContact O-CG 3.43Å; R4-R7 PolarHBondContact O-N 2.53Å; R7-S10 PolarHBondContact O-N 3.44Å; R7-V11 VanDerWaalsContact O-CG2 3.28Å; R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 2.82Å
8	I	66.3	Low	59.9	Low	106 Å²	106	121.4 Å²	121.4	54%	0.544	62%	0.621	S	S	.	*	H	α-helix	trans	-66.9	-42.7	176	-65.7	166.2	0	0	0	110.3	R4 W5 V11 A12	R4-I8 WeakPolarHBondContact O-CG1 3.27Å; R4-I8 PolarHBondContact O-N 3.45Å; R4-I8 VanDerWaalsContact O-N 3.09Å; W5-I8 PolarHBondContact O-N 3.27Å; I8-V11 PolarHBondContact O-N 3.46Å; I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 2.75Å
9	A	68.4	Low	59.7	Low	57 Å²	57	120.9 Å²	120.9	47%	0.471	62%	0.624	S	S	.	*	H	α-helix	trans	-63.8	-40.4	175.8	0	0	0	0	0	112.1	W5 T6 A12 L13	W5-A9 VanDerWaalsContact O-CB 3.32Å; W5-A9 WeakPolarHBondContact O-CB 3.44Å; W5-A9 PolarHBondContact O-N 3.39Å; T6-A9 PolarHBondContact O-N 3.12Å; A9-A12 PolarHBondContact O-N 2.89Å; A9-L13 WeakPolarHBondContact O-CB 3.45Å; A9-L13 PolarHBondContact O-N 3.29Å
10	S	64.2	Low	59.5	Low	65 Å²	65	119.7 Å²	119.7	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-65.8	-41.5	176.1	-56.5	0	0	0	0	112.5	T6 R7 L13 I14	T6-S10 WeakPolarHBondContact O-CB 3.33Å; T6-S10 PolarHBondContact O-N 3.22Å; T6-S10 PolarHBondContact O-OG 2.93Å; R7-S10 PolarHBondContact O-N 3.44Å; S10-L13 PolarHBondContact O-N 3.09Å; S10-I14 WeakPolarHBondContact O-CB 3.12Å; S10-I14 WeakPolarHBondContact O-CD1 3.4Å; S10-I14 WeakPolarHBondContact O-CG1 3.16Å; S10-I14 PolarHBondContact O-N 3.43Å
11	V	66.9	Low	59.2	Low	88 Å²	88	119.6 Å²	119.6	53%	0.533	64%	0.637	S	S	.	*	H	α-helix	trans	-67	-41.2	176.1	172.3	0	0	0	0	110.7	R7 I8 L13 I14 C15	R7-V11 VanDerWaalsContact O-CG2 3.28Å; R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 2.82Å; I8-V11 PolarHBondContact O-N 3.46Å; V11-L13 PolarHBondContact O-N 3.21Å; V11-I14 PolarHBondContact O-N 2.81Å; V11-C15 WeakPolarHBondContact O-CB 3.41Å; V11-C15 PolarHBondContact O-N 2.89Å; V11-C15 PolarHBondContact O-SG 2.72Å
12	A	66	Low	59.4	Low	46 Å²	46	114 Å²	114	38%	0.38	62%	0.623	S	S	.	*	H	α-helix	trans	-62.7	-41.4	175.2	0	0	0	0	0	112	I8 A9 C15 L16	I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 2.75Å; A9-A12 PolarHBondContact O-N 2.89Å; A12-C15 PolarHBondContact O-N 3.09Å; A12-L16 WeakPolarHBondContact O-CB 3.09Å; A12-L16 WeakPolarHBondContact O-CD1 3.46Å; A12-L16 PolarHBondContact O-N 2.93Å
13	L	66.6	Low	59.6	Low	130 Å²	130	112.6 Å²	112.6	68%	0.681	63%	0.626	S	S	*	*	H	α-helix	trans	-67.3	-36.5	178.2	-147.8	94.2	0	0	0	112.4	A9 S10 V11 L16 S17	A9-L13 WeakPolarHBondContact O-CB 3.45Å; A9-L13 PolarHBondContact O-N 3.29Å; S10-L13 PolarHBondContact O-N 3.09Å; V11-L13 PolarHBondContact O-N 3.21Å; L13-L16 PolarHBondContact O-N 2.9Å; L13-S17 WeakPolarHBondContact O-CB 3.41Å; L13-S17 PolarHBondContact O-N 2.89Å; L13-S17 PolarHBondContact O-OG 2.76Å
14	I	64.1	Low	59.8	Low	97 Å²	97	108.5 Å²	108.5	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-70.3	-39.8	174.7	-68.1	164.9	0	0	0	110.9	S10 V11 L16 S17 L18	S10-I14 WeakPolarHBondContact O-CB 3.12Å; S10-I14 WeakPolarHBondContact O-CD1 3.4Å; S10-I14 WeakPolarHBondContact O-CG1 3.16Å; S10-I14 PolarHBondContact O-N 3.43Å; V11-I14 PolarHBondContact O-N 2.81Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.47Å; I14-S17 PolarHBondContact O-N 2.9Å; I14-S17 PolarHBondContact O-OG 2.83Å; I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 WeakPolarHBondContact O-CB 3.34Å; I14-L18 WeakPolarHBondContact O-CD1 3.36Å; I14-L18 VanDerWaalsContact O-CG 3.26Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 3.49Å; I14-L18 VanDerWaalsContact O-N 3.11Å
15	C	57.3	Low	60.6	Low	77 Å²	77	105 Å²	105	52%	0.52	63%	0.629	S	S	.	*	H	α-helix	trans	-65.9	-34.9	174.4	-71.5	0	0	0	0	112.2	V11 A12	V11-C15 WeakPolarHBondContact O-CB 3.41Å; V11-C15 PolarHBondContact O-N 2.89Å; V11-C15 PolarHBondContact O-SG 2.72Å; A12-C15 PolarHBondContact O-N 3.09Å
16	L	58.5	Low	61.1	Low	134 Å²	134	98.7 Å²	98.7	70%	0.702	62%	0.621	S	S	*	*	H	α-helix	trans	-75.2	-29.8	176.2	-89.2	148.4	0	0	0	113.1	A12 L13 I14	A12-L16 WeakPolarHBondContact O-CB 3.09Å; A12-L16 WeakPolarHBondContact O-CD1 3.46Å; A12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 2.9Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.47Å
17	S	58.3	Low	61.7	Low	89 Å²	89	101.7 Å²	101.7	62%	0.622	64%	0.642	S	S	*	*	H	α-helix	trans	-83.8	-15.7	177	66.6	0	0	0	0	114.2	L13 I14	L13-S17 WeakPolarHBondContact O-CB 3.41Å; L13-S17 PolarHBondContact O-N 2.89Å; L13-S17 PolarHBondContact O-OG 2.76Å; I14-S17 PolarHBondContact O-N 2.9Å; I14-S17 PolarHBondContact O-OG 2.83Å
18	L	56	Low	62	Low	132 Å²	132	96.5 Å²	96.5	69%	0.691	64%	0.643	S	S	*	*	S	Bend	trans	-84.3	-6.3	172.6	-73	168.2	0	0	0	113.7	I14 S20	I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 WeakPolarHBondContact O-CB 3.34Å; I14-L18 WeakPolarHBondContact O-CD1 3.36Å; I14-L18 VanDerWaalsContact O-CG 3.26Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 3.49Å; I14-L18 VanDerWaalsContact O-N 3.11Å; L18-S20 PolarHBondContact O-N 2.85Å
19	V	56.2	Low	62	Low	112 Å²	112	103.2 Å²	103.2	68%	0.679	66%	0.661	S	S	*	*			trans	-78.1	73.7	166.9	-172.1	0	0	0	0	108.2	S21	V19-S21 PolarHBondContact O-N 2.8Å
20	S	54.9	Low	61.7	Low	97 Å²	97	103.9 Å²	103.9	68%	0.678	67%	0.674	S	S	*	*			trans	-57	136.5	164.2	-74.4	0	0	0	0	108.9	L18 A22	L18-S20 PolarHBondContact O-N 2.85Å; S20-A22 PolarHBondContact O-N 2.8Å
21	S	54.1	Low	61.4	Low	118 Å²	118	112.4 Å²	112.4	83%	0.825	70%	0.698	S	S	*	*			trans	-63.5	82.3	165.2	-51.9	0	0	0	0	108.6	V19 V23	V19-S21 PolarHBondContact O-N 2.8Å; S21-V23 PolarHBondContact O-N 2.79Å
22	A	57.6	Low	61.1	Low	91 Å²	91	111.4 Å²	111.4	75%	0.752	71%	0.706	S	S	*	*			trans	-63.2	104.6	165.9	0	0	0	0	0	106.3	S20 G24	S20-A22 PolarHBondContact O-N 2.8Å; A22-G24 PolarHBondContact O-N 2.97Å
23	V	58.7	Low	60.6	Low	139 Å²	139	120.7 Å²	120.7	84%	0.842	73%	0.731	S	S	*	*			trans	-67.2	80.7	161.7	-175.8	0	0	0	0	105.5	S21 C25	S21-V23 PolarHBondContact O-N 2.79Å; V23-C25 PolarHBondContact O-N 3.26Å
24	G	54.8	Low	60.2	Low	59 Å²	59	125.1 Å²	125.1	61%	0.608	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.1	126.6	171	0	0	0	0	0	107.4	A22 G26	A22-G24 PolarHBondContact O-N 2.97Å; G24-G26 PolarHBondContact O-N 3.09Å
25	C	68.9	Low	59.6	Low	131 Å²	131	131.5 Å²	131.5	89%	0.885	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-51.9	127.7	161.9	-68	0	0	0	0	106.7	V23	V23-C25 PolarHBondContact O-N 3.26Å
26	G	65.5	Low	59.5	Low	55 Å²	55	135.8 Å²	135.8	57%	0.567	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-51.5	163.8	177.3	0	0	0	0	0	111.4	G24 G28	G24-G26 PolarHBondContact O-N 3.09Å; G26-G28 PolarHBondContact O-N 2.89Å
27	P	72.3	Confident	60	Low	139 Å²	139	134.7 Å²	134.7	90%	0.903	77%	0.77	S	S	*	*	S	Bend	trans	-47.9	119.3	-177.5	22	-32.9	0	0	0	108.8
28	G	66.3	Low	60.4	Low	65 Å²	65	136.7 Å²	136.7	67%	0.67	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-55.9	170.3	-176.4	0	0	0	0	0	111.4	G26 G30	G26-G28 PolarHBondContact O-N 2.89Å; G28-G30 PolarHBondContact O-N 3.39Å
29	R	66.4	Low	61.4	Low	246 Å²	246	139 Å²	139	93%	0.928	77%	0.772	S	S	*	*			trans	-47	111	178.8	-86	-177.8	172	174.2	-1.6	110.5	Y31	R29-Y31 PolarHBondContact O-N 2.8Å
30	G	61.8	Low	62.8	Low	72 Å²	72	136.8 Å²	136.8	74%	0.742	76%	0.756	S	S	*	*			trans	-60.8	130.7	175.3	0	0	0	0	0	109.9	G28 G32	G28-G30 PolarHBondContact O-N 3.39Å; G30-G32 PolarHBondContact O-N 3.13Å
31	Y	58.4	Low	64.6	Low	243 Å²	243	135.3 Å²	135.3	95%	0.953	74%	0.742	S	S	*	*			trans	-72.2	98.8	168.9	-77.8	-87	0	0	0	108.3	R29	R29-Y31 PolarHBondContact O-N 2.8Å
32	G	61.3	Low	66.6	Low	68 Å²	68	133.1 Å²	133.1	70%	0.701	73%	0.726	S	S	*	*			trans	-144	118.3	173.8	0	0	0	0	0	109.5	G30 R34	G30-G32 PolarHBondContact O-N 3.13Å; G32-R34 PolarHBondContact O-N 3.11Å
33	R	54.4	Low	68.4	Low	241 Å²	241	129 Å²	129	91%	0.909	69%	0.691	S	S	*	*			trans	-75.2	115	167.1	-105.2	179.8	170.9	175.7	-3.1	107.4	R35	R33-R35 PolarHBondContact O-N 2.84Å
34	R	58.7	Low	70.3	Confident	222 Å²	222	125.2 Å²	125.2	84%	0.838	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-56.9	127.5	167.5	-173.3	177	-179.1	178.4	1.1	107.5	G32 H36	G32-R34 PolarHBondContact O-N 3.11Å; R34-H36 PolarHBondContact O-N 3.35Å
35	R	51	Low	72.3	Confident	232 Å²	232	127.8 Å²	127.8	88%	0.875	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-54.3	124.8	171.8	-79.3	-176.9	175.7	176	-2.1	108.1	R33	R33-R35 PolarHBondContact O-N 2.84Å
36	H	56.3	Low	73.7	Confident	167 Å²	167	126.2 Å²	126.2	77%	0.773	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-71.8	124.3	175.9	-73.2	-77.4	0	0	0	108	R34	R34-H36 PolarHBondContact O-N 3.35Å
37	P	67.8	Low	75.2	Confident	111 Å²	111	127.3 Å²	127.3	72%	0.721	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-60.1	144.4	173.2	25.6	-32	0	0	0	109.2	K39	P37-K39 PolarHBondContact O-N 2.88Å
38	K	67.1	Low	76.3	Confident	130 Å²	130	123.6 Å²	123.6	57%	0.565	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-54.4	125.4	175.7	-168.1	178.6	-178.9	-174	0	108.3	L40 E168	K38-L40 PolarHBondContact O-N 2.89Å; K38-L40 VanDerWaalsContact O-N 3.09Å; K38-E168 IonicContact NZ-OE1 3.59Å; K38-E168 PolarHBondContact NZ-OE1 2.97Å; K38-E168 IonicContact NZ-OE2 2.73Å; K38-E168 PolarHBondContact NZ-OE2 2.65Å
39	K	76.5	Confident	77.3	Confident	181 Å²	181	122.3 Å²	122.3	79%	0.787	58%	0.582	S	S	*	*			trans	-71.4	107.2	-178.1	-172	178.8	-179	-178.4	0	108.7	P37 T41	P37-K39 PolarHBondContact O-N 2.88Å; K39-T41 HydrophobicContact CG-CG2 4.39Å; K39-T41 PolarHBondContact O-N 2.79Å; K39-T41 VanDerWaalsContact O-N 3.15Å
40	L	85.9	Confident	78.4	Confident	66 Å²	66	112.7 Å²	112.7	35%	0.346	55%	0.551	S	S	.	*			trans	-71.7	103.8	172.8	-61.4	175.8	0	0	0	108.7	K38 P42 R164 L165 E168	K38-L40 PolarHBondContact O-N 2.89Å; K38-L40 VanDerWaalsContact O-N 3.09Å; L40-P42 WeakPolarHBondContact O-CD 3.41Å; L40-R164 HydrophobicContact CB-CG 3.88Å; L40-R164 HydrophobicContact CD2-CG 3.91Å; L40-R164 HydrophobicContact CG-CG 4.47Å; L40-L165 HydrophobicContact CD1-CD2 3.96Å; L40-E168 HydrophobicContact CD2-CG 3.73Å
41	T	92.4	Very high	79.9	Confident	65 Å²	65	115.8 Å²	115.8	40%	0.399	55%	0.551	S	S	.	*			trans	-90.5	113.3	174.1	46.6	0	0	0	0	109.6	K39 R164	K39-T41 HydrophobicContact CG-CG2 4.39Å; K39-T41 PolarHBondContact O-N 2.79Å; K39-T41 VanDerWaalsContact O-N 3.15Å; T41-R164 PolarHBondContact O-NE 2.82Å; T41-R164 PolarHBondContact O-NH2 3.06Å; T41-R164 PolarHBondContact OG1-NH2 3.35Å
42	P	95.9	Very high	81.3	Confident	73 Å²	73	107 Å²	107	47%	0.474	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-53.7	142.2	175.9	-27.5	37.3	0	0	0	111.4	L40 G160	L40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-G160 CarbonylContact C-O 3.59Å; P42-G160 VanDerWaalsContact CA-O 3.24Å; P42-G160 WeakPolarHBondContact CA-O 3.36Å; P42-G160 VanDerWaalsContact CB-C 3.48Å
43	L	96.9	Very high	82.7	Confident	5 Å²	5	106.9 Å²	106.9	3%	0.026	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-73.6	144.3	171.2	-73.4	60.7	0	0	0	109.4	Q47 I49 G160 S163 R164 V167 V174	L43-Q47 HydrophobicContact CB-CB 4.23Å; L43-Q47 HydrophobicContact CB-CG 4.46Å; L43-Q47 HydrophobicContact CG-CG 4.39Å; L43-I49 HydrophobicContact CD1-CD1 3.85Å; L43-I49 HydrophobicContact CD2-CB 4.42Å; L43-I49 HydrophobicContact CD2-CD1 4.07Å; L43-I49 HydrophobicContact CD2-CG1 3.95Å; L43-I49 HydrophobicContact CG-CD1 3.86Å; L43-I49 HydrophobicContact CG-CG1 4.23Å; L43-G160 PolarHBondContact N-O 2.92Å; L43-G160 WeakPolarHBondContact O-CA 3.37Å; L43-S163 VanDerWaalsContact CB-OG 3.31Å; L43-S163 WeakPolarHBondContact CB-OG 3.46Å; L43-R164 HydrophobicContact CD1-CB 4.02Å; L43-V167 HydrophobicContact CD1-CG2 4.44Å; L43-V174 HydrophobicContact CD2-CG1 4.37Å
44	A	97.3	Very high	84.6	Confident	58 Å²	58	96.2 Å²	96.2	48%	0.479	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-73.4	157.9	169.9	0	0	0	0	0	110.9	K46 Q47 Y176	A44-K46 PolarHBondContact O-N 2.63Å; A44-Q47 HydrophobicContact CB-CB 4.3Å; A44-Q47 WeakPolarHBondContact O-CB 3.24Å; A44-Q47 PolarHBondContact O-N 2.92Å; A44-Y176 WeakPolarHBondContact O-CB 3.39Å; A44-Y176 WeakPolarHBondContact O-CD2 3.43Å
45	Y	97.4	Very high	86.2	Confident	113 Å²	113	88.4 Å²	88.4	44%	0.443	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	135.9	171.9	177.9	-123.5	0	0	0	110.5	Q47 Y176 K179	Y45-Q47 PolarHBondContact O-N 3.21Å; Y45-Y176 HydrophobicContact CD2-CD1 4.21Å; Y45-Y176 HydrophobicContact CD2-CE1 4.34Å; Y45-Y176 HydrophobicContact CD2-CG 4.45Å; Y45-K179 HydrophobicContact CD2-CG 4.42Å; Y45-K179 HydrophobicContact CE2-CG 4.05Å
46	K	97.4	Very high	87.4	Confident	98 Å²	98	79.9 Å²	79.9	43%	0.426	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	7.3	-173.8	-60.7	-63.1	-165.6	179.6	0	116.2	A44 Y175 Y176 E177	A44-K46 PolarHBondContact O-N 2.63Å; K46-Y175 HydrophobicContact CD-CE2 4.16Å; K46-Y175 VanDerWaalsContact CD-OH 3.3Å; K46-Y175 WeakPolarHBondContact CD-OH 3.43Å; K46-Y175 PolarHBondContact NZ-OH 3.12Å; K46-Y176 WeakPolarHBondContact CA-O 3.5Å; K46-Y176 PolarHBondContact N-O 3.06Å; K46-E177 VanDerWaalsContact CE-O 3.31Å; K46-E177 WeakPolarHBondContact CE-O 3.16Å; K46-E177 PolarHBondContact NZ-O 2.76Å
47	Q	97.4	Very high	87.9	Confident	79 Å²	79	75.8 Å²	75.8	37%	0.369	40%	0.404	S	S	.	.			trans	-82.3	142.7	171.4	-173.2	178.4	5.5	0	0	110.7	L43 A44 Y45 Y176	L43-Q47 HydrophobicContact CB-CB 4.23Å; L43-Q47 HydrophobicContact CB-CG 4.46Å; L43-Q47 HydrophobicContact CG-CG 4.39Å; A44-Q47 HydrophobicContact CB-CB 4.3Å; A44-Q47 WeakPolarHBondContact O-CB 3.24Å; A44-Q47 PolarHBondContact O-N 2.92Å; Y45-Q47 PolarHBondContact O-N 3.21Å; Q47-Y176 PolarHBondContact O-N 3.42Å
48	F	96.2	Very high	88	Confident	60 Å²	60	73.3 Å²	73.3	26%	0.263	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.2	170.3	49.4	-88.2	0	0	0	111.7	P50 N51 V52 W173 V174 Y175	F48-P50 WeakPolarHBondContact CD2-O 3.41Å; F48-N51 WeakPolarHBondContact CE2-OD1 3.46Å; F48-V52 WeakPolarHBondContact CD2-O 3.3Å; F48-V52 WeakPolarHBondContact CE2-O 3.36Å; F48-W173 HydrophobicContact CB-CH2 4.19Å; F48-W173 HydrophobicContact CB-CZ2 3.45Å; F48-W173 VanDerWaalsContact CB-CZ2 3.45Å; F48-W173 HydrophobicContact CD1-CZ2 4.23Å; F48-W173 AromaticContact CD2-CZ2 3.88Å; F48-W173 HydrophobicContact CD2-CZ2 3.88Å; F48-W173 AromaticContact CD2-NE1 3.67Å; F48-W173 AromaticContact CG-CZ2 3.59Å; F48-W173 HydrophobicContact CG-CZ2 3.59Å; F48-V174 CarbonylContact C-O 3.53Å; F48-V174 WeakPolarHBondContact CA-O 3.22Å; F48-V174 WeakPolarHBondContact CB-O 3.42Å; F48-Y175 HydrophobicContact CB-CD2 3.83Å; F48-Y175 HydrophobicContact CB-CG 4.16Å; F48-Y175 HydrophobicContact CD1-CD2 4.01Å; F48-Y175 HydrophobicContact CD1-CE2 4.19Å; F48-Y175 HydrophobicContact CG-CD2 4.41Å
49	I	87.8	Confident	88.9	Confident	38 Å²	38	67.1 Å²	67.1	20%	0.195	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.7	177.9	-64.1	-175.4	0	0	0	108.6	L43 R164 V167 W173 V174	L43-I49 HydrophobicContact CD1-CD1 3.85Å; L43-I49 HydrophobicContact CD2-CB 4.42Å; L43-I49 HydrophobicContact CD2-CD1 4.07Å; L43-I49 HydrophobicContact CD2-CG1 3.95Å; L43-I49 HydrophobicContact CG-CD1 3.86Å; L43-I49 HydrophobicContact CG-CG1 4.23Å; I49-R164 VanDerWaalsContact CD1-NH2 3.31Å; I49-V167 HydrophobicContact CB-CG2 3.9Å; I49-V167 HydrophobicContact CD1-CG2 4.41Å; I49-V167 HydrophobicContact CG2-CG1 3.97Å; I49-V167 HydrophobicContact CG2-CG2 3.99Å; I49-W173 WeakPolarHBondContact O-CA 3.33Å; I49-V174 PolarHBondContact N-O 2.79Å; I49-V174 PolarHBondContact O-N 3.26Å
50	P	88.4	Confident	89.5	Confident	45 Å²	45	58.5 Å²	58.5	29%	0.292	33%	0.334	S	S	.	.	S	Bend	cis	-63.5	157.2	-7.7	26.1	-32.6	0	0	0	112.1	F48 V52 G58 A59 D172	F48-P50 WeakPolarHBondContact CD2-O 3.41Å; P50-V52 HydrophobicContact CB-CG2 4.15Å; P50-V52 HydrophobicContact CG-CG2 3.89Å; P50-V52 PolarHBondContact O-N 3.46Å; P50-G58 VanDerWaalsContact CG-O 3.3Å; P50-G58 WeakPolarHBondContact CG-O 3.21Å; P50-A59 HydrophobicContact CG-CB 4.11Å; P50-D172 WeakPolarHBondContact CD-O 3.45Å
51	N	93.6	Very high	89.4	Confident	136 Å²	136	55.6 Å²	55.6	73%	0.727	32%	0.321	S	S	*	.	S	Bend	trans	-76.9	57.8	-176.7	-171.1	25.5	0	0	0	112.1	F48	F48-N51 WeakPolarHBondContact CE2-OD1 3.46Å
52	V	86.8	Confident	89.2	Confident	60 Å²	60	61.7 Å²	61.7	36%	0.364	34%	0.336	S	S	.	.	S	Bend	trans	-140.3	162.5	174.1	-65.6	0	0	0	0	107.7	F48 P50 T56 A59 W173	F48-V52 WeakPolarHBondContact CD2-O 3.3Å; F48-V52 WeakPolarHBondContact CE2-O 3.36Å; P50-V52 HydrophobicContact CB-CG2 4.15Å; P50-V52 HydrophobicContact CG-CG2 3.89Å; P50-V52 PolarHBondContact O-N 3.46Å; V52-T56 VanDerWaalsContact CG2-OG1 3.28Å; V52-T56 WeakPolarHBondContact CG2-OG1 3.34Å; V52-A59 HydrophobicContact CG2-CB 3.89Å; V52-W173 PolarHBondContact O-NE1 2.69Å
53	A	91.6	Very high	89	Confident	64 Å²	64	61.1 Å²	61.1	53%	0.529	33%	0.325	S	S	.	.			trans	-64.2	145.6	178.4	0	0	0	0	0	111.6	K55 T56	A53-K55 VanDerWaalsContact C-N 3.32Å; A53-K55 PolarHBondContact O-N 3.19Å; A53-T56 HydrophobicContact CB-CG2 3.92Å; A53-T56 VanDerWaalsContact O-CB 3.32Å; A53-T56 WeakPolarHBondContact O-CB 3.3Å; A53-T56 VanDerWaalsContact O-CG2 3.29Å; A53-T56 WeakPolarHBondContact O-CG2 3.24Å; A53-T56 PolarHBondContact O-N 2.89Å; A53-T56 PolarHBondContact O-OG1 2.96Å
54	E	94.3	Very high	88.5	Confident	17 Å²	17	64.9 Å²	64.9	8%	0.079	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-49.3	-174.5	-178.3	-176	-162.3	0	0	113.1	T56 A59 S60 G61 L140 W173 H183 S185	E54-T56 PolarHBondContact O-N 2.82Å; E54-T56 VanDerWaalsContact O-N 3.16Å; E54-A59 WeakPolarHBondContact O-CB 3.49Å; E54-S60 PolarHBondContact O-N 3.48Å; E54-G61 PolarHBondContact O-N 2.97Å; E54-L140 HydrophobicContact CG-CD1 4.12Å; E54-L140 WeakPolarHBondContact OE1-CD1 3.35Å; E54-W173 HydrophobicContact CB-CD2 3.67Å; E54-W173 HydrophobicContact CB-CE3 3.71Å; E54-W173 HydrophobicContact CB-CG 4.21Å; E54-W173 HydrophobicContact CB-CH2 4.04Å; E54-W173 HydrophobicContact CB-CZ2 4.03Å; E54-W173 HydrophobicContact CB-CZ3 3.87Å; E54-W173 HydrophobicContact CG-CB 4.41Å; E54-W173 HydrophobicContact CG-CD2 3.83Å; E54-W173 HydrophobicContact CG-CE3 3.58Å; E54-W173 HydrophobicContact CG-CG 4.21Å; E54-W173 HydrophobicContact CG-CZ3 4.03Å; E54-H183 IonicContact OE1-CE1 3.33Å; E54-H183 IonicContact OE1-NE2 2.71Å; E54-H183 PolarHBondContact OE1-NE2 3.4Å; E54-S185 WeakPolarHBondContact CG-OG 3.32Å; E54-S185 VanDerWaalsContact OE1-CB 3.24Å; E54-S185 WeakPolarHBondContact OE1-CB 3.49Å; E54-S185 PolarHBondContact OE1-OG 3.47Å
55	K	91.5	Very high	88.2	Confident	59 Å²	59	63 Å²	63	26%	0.257	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	8.7	-174.4	-65.6	-176.9	-77	-170	0	114.2	A53 G61 R62 E138	A53-K55 VanDerWaalsContact C-N 3.32Å; A53-K55 PolarHBondContact O-N 3.19Å; K55-G61 VanDerWaalsContact CA-O 3.29Å; K55-G61 WeakPolarHBondContact CA-O 3.32Å; K55-G61 CarbonylContact O-C 3.48Å; K55-R62 PolarHBondContact O-N 2.83Å; K55-E138 VanDerWaalsContact NZ-CB 3.29Å; K55-E138 PolarHBondContact NZ-O 2.87Å; K55-E138 IonicContact NZ-OE2 3.74Å; K55-E138 PolarHBondContact NZ-OE2 2.91Å
56	T	76.2	Confident	88.1	Confident	53 Å²	53	61.5 Å²	61.5	33%	0.325	33%	0.325	S	S	.	.	S	Bend	trans	-79.7	155.6	173.5	66.4	0	0	0	0	111.1	V52 A53 E54 G58 A59 G61	V52-T56 VanDerWaalsContact CG2-OG1 3.28Å; V52-T56 WeakPolarHBondContact CG2-OG1 3.34Å; A53-T56 HydrophobicContact CB-CG2 3.92Å; A53-T56 VanDerWaalsContact O-CB 3.32Å; A53-T56 WeakPolarHBondContact O-CB 3.3Å; A53-T56 VanDerWaalsContact O-CG2 3.29Å; A53-T56 WeakPolarHBondContact O-CG2 3.24Å; A53-T56 PolarHBondContact O-N 2.89Å; A53-T56 PolarHBondContact O-OG1 2.96Å; E54-T56 PolarHBondContact O-N 2.82Å; E54-T56 VanDerWaalsContact O-N 3.16Å; T56-G58 PolarHBondContact O-N 3.19Å; T56-A59 CarbonylContact O-C 3.57Å; T56-A59 PolarHBondContact O-N 2.94Å; T56-G61 VanDerWaalsContact O-CA 3.29Å; T56-G61 WeakPolarHBondContact O-CA 3.42Å; T56-G61 PolarHBondContact O-N 2.91Å
57	L	68.6	Low	87.9	Confident	81 Å²	81	57 Å²	57	42%	0.424	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.5	179	-64.3	175.3	0	0	0	113.4	A59 K187 T315	L57-A59 PolarHBondContact O-N 2.81Å; L57-K187 PolarHBondContact O-NZ 3Å; L57-T315 HydrophobicContact CD1-CG2 3.91Å
58	G	69	Low	87.8	Confident	58 Å²	58	56.3 Å²	56.3	60%	0.598	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.6	174.5	0	0	0	0	0	114.2	P50 T56	P50-G58 VanDerWaalsContact CG-O 3.3Å; P50-G58 WeakPolarHBondContact CG-O 3.21Å; T56-G58 PolarHBondContact O-N 3.19Å
59	A	86.2	Confident	87.6	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-132	-178.6	0	0	0	0	0	109.9	P50 V52 E54 T56 L57 G61 D172 W173 K187	P50-A59 HydrophobicContact CG-CB 4.11Å; V52-A59 HydrophobicContact CG2-CB 3.89Å; E54-A59 WeakPolarHBondContact O-CB 3.49Å; T56-A59 CarbonylContact O-C 3.57Å; T56-A59 PolarHBondContact O-N 2.94Å; L57-A59 PolarHBondContact O-N 2.81Å; A59-G61 VanDerWaalsContact C-N 3.29Å; A59-G61 PolarHBondContact O-N 2.74Å; A59-D172 WeakPolarHBondContact CA-O 3.02Å; A59-W173 HydrophobicContact CB-CB 4.06Å; A59-W173 VanDerWaalsContact CB-CD1 3.46Å; A59-W173 HydrophobicContact CB-CG 4.01Å; A59-K187 VanDerWaalsContact O-CE 3.24Å; A59-K187 WeakPolarHBondContact O-CE 3.26Å; A59-K187 WeakPolarHBondContact O-CG 3.5Å; A59-K187 PolarHBondContact O-NZ 2.75Å
60	S	89.5	Confident	87.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.7	-178.7	-60.9	0	0	0	0	113.6	E54 L140 R145 W173 S185 K187	E54-S60 PolarHBondContact O-N 3.48Å; S60-L140 VanDerWaalsContact CB-CD1 3.46Å; S60-R145 PolarHBondContact O-NH2 2.66Å; S60-W173 VanDerWaalsContact OG-CB 3.24Å; S60-W173 WeakPolarHBondContact OG-CB 3.42Å; S60-S185 WeakPolarHBondContact CB-OG 3.35Å; S60-S185 VanDerWaalsContact OG-C 3.24Å; S60-S185 WeakPolarHBondContact OG-CB 3.23Å; S60-S185 PolarHBondContact OG-O 3.39Å; S60-S185 PolarHBondContact OG-OG 2.76Å; S60-K187 WeakPolarHBondContact O-CA 3.47Å
61	G	83.9	Confident	88	Confident	6 Å²	6	64.2 Å²	64.2	6%	0.062	34%	0.343	C	S	.	.			trans	74.6	177.3	177.6	0	0	0	0	0	113.5	E54 K55 T56 A59	E54-G61 PolarHBondContact O-N 2.97Å; K55-G61 VanDerWaalsContact CA-O 3.29Å; K55-G61 WeakPolarHBondContact CA-O 3.32Å; K55-G61 CarbonylContact O-C 3.48Å; T56-G61 VanDerWaalsContact O-CA 3.29Å; T56-G61 WeakPolarHBondContact O-CA 3.42Å; T56-G61 PolarHBondContact O-N 2.91Å; A59-G61 VanDerWaalsContact C-N 3.29Å; A59-G61 PolarHBondContact O-N 2.74Å
62	R	87.3	Confident	87.7	Confident	192 Å²	192	64.4 Å²	64.4	73%	0.725	34%	0.34	S	S	*	.			trans	-63.8	153.7	-167.5	-64.5	-177.5	-179.9	176.3	-0.2	112.7	K55 R145	K55-R62 PolarHBondContact O-N 2.83Å; R62-R145 PolarHBondContact O-NH1 2.92Å; R62-R145 PolarHBondContact O-NH2 2.94Å
63	Y	91.1	Very high	87.6	Confident	62 Å²	62	64.4 Å²	64.4	24%	0.243	33%	0.333	C	S	.	.			trans	-69.3	133	163.1	174.9	-99.9	0	0	0	109.1	G65 K66 E138 L140 Y142 E143	Y63-G65 VanDerWaalsContact CE1-CA 3.42Å; Y63-G65 VanDerWaalsContact CZ-CA 3.46Å; Y63-K66 WeakPolarHBondContact OH-CA 3.38Å; Y63-K66 WeakPolarHBondContact OH-CB 3.3Å; Y63-K66 PolarHBondContact OH-N 2.88Å; Y63-E138 HydrophobicContact CD1-CB 3.68Å; Y63-E138 HydrophobicContact CD1-CG 3.71Å; Y63-E138 HydrophobicContact CD2-CB 3.97Å; Y63-E138 HydrophobicContact CE1-CB 4.08Å; Y63-E138 HydrophobicContact CE1-CG 3.97Å; Y63-E138 HydrophobicContact CE2-CB 4.37Å; Y63-E138 HydrophobicContact CG-CB 3.61Å; Y63-E138 HydrophobicContact CG-CG 4.16Å; Y63-L140 HydrophobicContact CD2-CD2 4.41Å; Y63-Y142 HydrophobicContact CE2-CD2 4.45Å; Y63-E143 HydrophobicContact CD2-CG 4.29Å; Y63-E143 WeakPolarHBondContact CD2-OE1 3.41Å; Y63-E143 HydrophobicContact CE2-CG 4.17Å; Y63-E143 VanDerWaalsContact CE2-OE1 3.25Å; Y63-E143 WeakPolarHBondContact CE2-OE1 3.37Å
64	E	87.5	Confident	87.6	Confident	84 Å²	84	63.2 Å²	63.2	39%	0.393	32%	0.316	S	S	.	.			trans	-103.4	-15.4	-179.2	-64.4	-174	168.3	0	0	113	R73 E143 A188	E64-R73 PolarHBondContact O-NH1 2.84Å; E64-R73 IonicContact OE2-NH2 3.36Å; E64-R73 PolarHBondContact OE2-NH2 2.94Å; E64-E143 WeakPolarHBondContact CA-OE1 3.42Å; E64-E143 PolarHBondContact N-OE1 3.18Å; E64-A188 HydrophobicContact CG-CB 4.45Å; E64-A188 WeakPolarHBondContact OE1-CB 3.43Å
65	G	89.8	Confident	87.3	Confident	19 Å²	19	69.7 Å²	69.7	20%	0.196	34%	0.344	C	S	.	.			trans	127.1	145.3	179	0	0	0	0	0	112.9	Y63 I67 R73 E143	Y63-G65 VanDerWaalsContact CE1-CA 3.42Å; Y63-G65 VanDerWaalsContact CZ-CA 3.46Å; G65-I67 PolarHBondContact O-N 2.81Å; G65-R73 PolarHBondContact O-NH1 3.02Å; G65-E143 PolarHBondContact N-OE1 2.87Å; G65-E143 VanDerWaalsContact O-CG 3.31Å; G65-E143 WeakPolarHBondContact O-CG 3.5Å
66	K	95.2	Very high	87	Confident	81 Å²	81	70.4 Å²	70.4	35%	0.352	35%	0.348	S	S	.	.			trans	-59.2	126.8	-177.9	175.5	163.9	-174.5	175.6	0	110.3	Y63 T68 E131 Y142	Y63-K66 WeakPolarHBondContact OH-CA 3.38Å; Y63-K66 WeakPolarHBondContact OH-CB 3.3Å; Y63-K66 PolarHBondContact OH-N 2.88Å; K66-T68 HydrophobicContact CG-CG2 4.21Å; K66-E131 PolarHBondContact NZ-O 3.26Å; K66-Y142 HydrophobicContact CD-CD1 4.14Å; K66-Y142 HydrophobicContact CD-CG 4.16Å; K66-Y142 HydrophobicContact CG-CG 4.29Å
67	I	94.8	Very high	87.8	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	34%	0.335	C	S	.	.			trans	-87	122.6	170.1	-60.5	-179.6	0	0	0	106.8	G65 R73 F74 L77 W129 Y142 E143	G65-I67 PolarHBondContact O-N 2.81Å; I67-R73 HydrophobicContact CD1-CB 4.12Å; I67-R73 HydrophobicContact CG1-CB 3.95Å; I67-R73 HydrophobicContact CG2-CB 4.38Å; I67-F74 HydrophobicContact CG2-CB 4.05Å; I67-F74 HydrophobicContact CG2-CD2 4.13Å; I67-L77 HydrophobicContact CD1-CD2 4.13Å; I67-L77 HydrophobicContact CD1-CG 4.33Å; I67-L77 HydrophobicContact CG2-CD1 4.08Å; I67-W129 VanDerWaalsContact O-CZ2 3.32Å; I67-W129 WeakPolarHBondContact O-CZ2 3.43Å; I67-W129 PolarHBondContact O-NE1 3.48Å; I67-Y142 PolarHBondContact N-O 2.91Å; I67-E143 HydrophobicContact CD1-CB 4.38Å
68	T	95.1	Very high	88.8	Confident	66 Å²	66	66.3 Å²	66.3	41%	0.405	33%	0.327	S	S	.	.			trans	-106.6	157.2	172.2	64.4	0	0	0	0	109.4	K66 N70 S71	K66-T68 HydrophobicContact CG-CG2 4.21Å; T68-N70 PolarHBondContact O-N 2.9Å; T68-S71 PolarHBondContact N-OG 2.74Å; T68-S71 WeakPolarHBondContact O-CB 3.4Å; T68-S71 PolarHBondContact O-N 3.49Å; T68-S71 PolarHBondContact O-OG 2.85Å
69	R	92.7	Very high	90.2	Very high	116 Å²	116	65.6 Å²	65.6	44%	0.438	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29	-178.3	-164.6	170.8	-96.7	-93.2	7.3	114.1	F74 T93 W129 E131	R69-F74 HydrophobicContact CG-CE1 4.38Å; R69-F74 HydrophobicContact CG-CZ 4.3Å; R69-T93 PolarHBondContact NH2-O 3.03Å; R69-W129 HydrophobicContact CB-CH2 4.02Å; R69-E131 IonicContact NE-OE1 2.71Å; R69-E131 PolarHBondContact NE-OE1 3.4Å; R69-E131 IonicContact NH2-OE1 2.57Å
70	N	92.1	Very high	90.7	Very high	159 Å²	159	65.8 Å²	65.8	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	0.1	-179.4	-62	-25	0	0	0	113.6	T68	T68-N70 PolarHBondContact O-N 2.9Å
71	S	90.9	Very high	91	Very high	33 Å²	33	73.6 Å²	73.6	23%	0.231	34%	0.343	C	S	.	.	S	Bend	trans	-82	150.2	-179.8	70.2	0	0	0	0	111.9	T68 R73 F74	T68-S71 PolarHBondContact N-OG 2.74Å; T68-S71 WeakPolarHBondContact O-CB 3.4Å; T68-S71 PolarHBondContact O-N 3.49Å; T68-S71 PolarHBondContact O-OG 2.85Å; S71-R73 PolarHBondContact O-N 3.32Å; S71-F74 WeakPolarHBondContact O-CB 3.18Å; S71-F74 PolarHBondContact O-N 2.76Å; S71-F74 PolarHBondContact OG-N 2.89Å
72	E	86.9	Confident	91.5	Very high	141 Å²	141	75 Å²	75	66%	0.659	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-57.2	-35.8	173.9	-76.9	-63.5	143.9	0	0	112.2	F74 K75	E72-F74 PolarHBondContact O-N 2.67Å; E72-K75 VanDerWaalsContact CD-NZ 3.34Å; E72-K75 WeakPolarHBondContact O-CB 3.38Å; E72-K75 PolarHBondContact O-N 2.88Å; E72-K75 IonicContact OE1-NZ 3.73Å; E72-K75 PolarHBondContact OE1-NZ 3.12Å; E72-K75 WeakPolarHBondContact OE2-CE 3.06Å; E72-K75 IonicContact OE2-NZ 3.99Å; E72-K75 PolarHBondContact OE2-NZ 3.27Å
73	R	85.8	Confident	91.9	Very high	59 Å²	59	71.4 Å²	71.4	22%	0.223	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-66.7	-14.9	177.3	-68.1	-175.8	63.2	-152.4	-1.2	113.8	E64 G65 I67 S71 K75 E76	E64-R73 PolarHBondContact O-NH1 2.84Å; E64-R73 IonicContact OE2-NH2 3.36Å; E64-R73 PolarHBondContact OE2-NH2 2.94Å; G65-R73 PolarHBondContact O-NH1 3.02Å; I67-R73 HydrophobicContact CD1-CB 4.12Å; I67-R73 HydrophobicContact CG1-CB 3.95Å; I67-R73 HydrophobicContact CG2-CB 4.38Å; S71-R73 PolarHBondContact O-N 3.32Å; R73-K75 PolarHBondContact O-N 3.23Å; R73-E76 IonicContact NE-OE2 3.63Å; R73-E76 PolarHBondContact NE-OE2 3.22Å; R73-E76 IonicContact NH2-OE2 3.89Å; R73-E76 WeakPolarHBondContact O-CB 3.47Å; R73-E76 WeakPolarHBondContact O-CG 3.12Å; R73-E76 PolarHBondContact O-N 3.1Å
74	F	92.4	Very high	92.2	Very high	39 Å²	39	70.8 Å²	70.8	17%	0.171	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61.6	-27.8	173.5	-171.2	-108.3	0	0	0	112.2	I67 R69 S71 E72 E76 L77 M98 W129	I67-F74 HydrophobicContact CG2-CB 4.05Å; I67-F74 HydrophobicContact CG2-CD2 4.13Å; R69-F74 HydrophobicContact CG-CE1 4.38Å; R69-F74 HydrophobicContact CG-CZ 4.3Å; S71-F74 WeakPolarHBondContact O-CB 3.18Å; S71-F74 PolarHBondContact O-N 2.76Å; S71-F74 PolarHBondContact OG-N 2.89Å; E72-F74 PolarHBondContact O-N 2.67Å; F74-E76 PolarHBondContact O-N 2.92Å; F74-L77 HydrophobicContact CD2-CD1 4.04Å; F74-L77 HydrophobicContact CE2-CD1 4.19Å; F74-L77 PolarHBondContact O-N 3.07Å; F74-M98 HydrophobicContact CE1-CE 4.22Å; F74-M98 HydrophobicContact CE2-CE 4.05Å; F74-M98 HydrophobicContact CE2-CG 4.45Å; F74-M98 HydrophobicContact CZ-CE 3.66Å; F74-M98 HydrophobicContact CZ-CG 4.35Å; F74-M98 HydrophobicContact CZ-SD 4.43Å; F74-W129 AromaticContact CD2-CH2 3.82Å; F74-W129 HydrophobicContact CD2-CH2 3.82Å; F74-W129 AromaticContact CD2-CZ2 3.86Å; F74-W129 HydrophobicContact CD2-CZ2 3.86Å; F74-W129 HydrophobicContact CD2-CZ3 4.33Å; F74-W129 HydrophobicContact CE2-CD2 4.41Å; F74-W129 AromaticContact CE2-CE3 3.98Å; F74-W129 HydrophobicContact CE2-CE3 3.98Å; F74-W129 AromaticContact CE2-CH2 3.36Å; F74-W129 HydrophobicContact CE2-CH2 3.36Å; F74-W129 AromaticContact CE2-CZ2 3.82Å; F74-W129 HydrophobicContact CE2-CZ2 3.82Å; F74-W129 AromaticContact CE2-CZ3 3.46Å; F74-W129 HydrophobicContact CE2-CZ3 3.46Å; F74-W129 VanDerWaalsContact CE2-CZ3 3.46Å; F74-W129 HydrophobicContact CZ-CH2 4.3Å; F74-W129 HydrophobicContact CZ-CZ3 4.2Å
75	K	86.6	Confident	92.7	Very high	154 Å²	154	67.1 Å²	67.1	67%	0.67	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-65.9	-15.9	174.6	-60.3	171.7	-174.2	165.1	0	113.1	E72 R73 L77	E72-K75 VanDerWaalsContact CD-NZ 3.34Å; E72-K75 WeakPolarHBondContact O-CB 3.38Å; E72-K75 PolarHBondContact O-N 2.88Å; E72-K75 IonicContact OE1-NZ 3.73Å; E72-K75 PolarHBondContact OE1-NZ 3.12Å; E72-K75 WeakPolarHBondContact OE2-CE 3.06Å; E72-K75 IonicContact OE2-NZ 3.99Å; E72-K75 PolarHBondContact OE2-NZ 3.27Å; R73-K75 PolarHBondContact O-N 3.23Å; K75-L77 VanDerWaalsContact C-N 3.3Å
76	E	85.1	Confident	93.1	Very high	73 Å²	73	69.6 Å²	69.6	34%	0.341	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-77.1	-20.3	174.8	-55.6	173.6	170.4	0	0	111.7	R73 F74	R73-E76 IonicContact NE-OE2 3.63Å; R73-E76 PolarHBondContact NE-OE2 3.22Å; R73-E76 IonicContact NH2-OE2 3.89Å; R73-E76 WeakPolarHBondContact O-CB 3.47Å; R73-E76 WeakPolarHBondContact O-CG 3.12Å; R73-E76 PolarHBondContact O-N 3.1Å; F74-E76 PolarHBondContact O-N 2.92Å
77	L	93.1	Very high	93.3	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.052	33%	0.327	C	S	.	.			trans	-86.4	138.4	178.1	-55.2	-174.2	0	0	0	110.4	I67 F74 K75 M98 T100 W129 E143	I67-L77 HydrophobicContact CD1-CD2 4.13Å; I67-L77 HydrophobicContact CD1-CG 4.33Å; I67-L77 HydrophobicContact CG2-CD1 4.08Å; F74-L77 HydrophobicContact CD2-CD1 4.04Å; F74-L77 HydrophobicContact CE2-CD1 4.19Å; F74-L77 PolarHBondContact O-N 3.07Å; K75-L77 VanDerWaalsContact C-N 3.3Å; L77-M98 HydrophobicContact CB-CB 4.4Å; L77-M98 HydrophobicContact CB-CE 3.69Å; L77-M98 HydrophobicContact CD1-CB 4.23Å; L77-T100 HydrophobicContact CD2-CG2 3.96Å; L77-W129 HydrophobicContact CD1-CB 4.43Å; L77-W129 HydrophobicContact CD1-CD2 3.91Å; L77-W129 HydrophobicContact CD1-CG 3.8Å; L77-E143 WeakPolarHBondContact CD2-O 3.4Å
78	T	90.4	Very high	93.4	Very high	39 Å²	39	70.9 Å²	70.9	24%	0.239	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.8	174.1	69.5	0	0	0	0	109.9	M99	T78-M99 PolarHBondContact N-O 2.73Å; T78-M99 PolarHBondContact O-N 2.97Å; T78-M99 VanDerWaalsContact O-O 3.14Å
79	P	97.1	Very high	93.4	Very high	43 Å²	43	69.4 Å²	69.4	28%	0.279	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.1	174.9	27.9	-33.5	0	0	0	110.9	Y81 R97 M98 K104	P79-Y81 HydrophobicContact CB-CD2 4.2Å; P79-Y81 HydrophobicContact CB-CE2 3.55Å; P79-Y81 HydrophobicContact CG-CD2 4.34Å; P79-Y81 HydrophobicContact CG-CE2 3.6Å; P79-R97 CarbonylContact C-O 3.5Å; P79-R97 WeakPolarHBondContact CA-O 3.45Å; P79-M98 HydrophobicContact CB-SD 3.86Å; P79-M98 HydrophobicContact CG-SD 4.47Å; P79-K104 PolarHBondContact O-NZ 2.78Å
80	N	97	Very high	93.3	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.016	33%	0.331	C	S	.	.			trans	-102.6	114.7	170.4	-165.4	-8.7	0	0	0	111.2	N82 F87 R97 M99 K104 N108	N80-N82 VanDerWaalsContact OD1-CB 3.22Å; N80-N82 WeakPolarHBondContact OD1-CB 3.36Å; N80-N82 PolarHBondContact OD1-N 2.94Å; N80-F87 HydrophobicContact CB-CZ 4Å; N80-F87 WeakPolarHBondContact O-CE2 3.25Å; N80-R97 PolarHBondContact N-O 3.03Å; N80-R97 PolarHBondContact O-NH1 3.47Å; N80-M99 HydrophobicContact CB-CE 3.74Å; N80-M99 HydrophobicContact CB-SD 3.88Å; N80-K104 HydrophobicContact CB-CD 4.41Å; N80-K104 HydrophobicContact CB-CG 4.3Å; N80-N108 PolarHBondContact ND2-OD1 2.86Å
81	Y	96.9	Very high	93.3	Very high	164 Å²	164	61.8 Å²	61.8	64%	0.643	30%	0.3	S	S	*	.			trans	-109.9	20.6	178.3	-65.4	-66.7	0	0	0	112.9	P79 T83	P79-Y81 HydrophobicContact CB-CD2 4.2Å; P79-Y81 HydrophobicContact CB-CE2 3.55Å; P79-Y81 HydrophobicContact CG-CD2 4.34Å; P79-Y81 HydrophobicContact CG-CE2 3.6Å; Y81-T83 PolarHBondContact O-N 3.03Å; Y81-T83 VanDerWaalsContact O-N 3.14Å
82	N	93.9	Very high	93.5	Very high	37 Å²	37	67 Å²	67	20%	0.198	33%	0.325	C	S	.	.			trans	-56.9	120.4	176.2	-174	-16.1	0	0	0	110.6	N80 D84 I85 N108	N80-N82 VanDerWaalsContact OD1-CB 3.22Å; N80-N82 WeakPolarHBondContact OD1-CB 3.36Å; N80-N82 PolarHBondContact OD1-N 2.94Å; N82-D84 PolarHBondContact O-N 2.69Å; N82-D84 WeakPolarHBondContact OD1-CB 3.45Å; N82-D84 PolarHBondContact OD1-N 2.92Å; N82-I85 HydrophobicContact CB-CD1 3.94Å; N82-I85 HydrophobicContact CB-CG1 4.16Å; N82-I85 PolarHBondContact O-N 3.37Å; N82-N108 WeakPolarHBondContact CB-OD1 3.34Å; N82-N108 PolarHBondContact ND2-OD1 2.91Å
83	T	96.8	Very high	93.8	Very high	115 Å²	115	62.9 Å²	62.9	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.7	-177.7	52	0	0	0	0	113.3	Y81 I85 K122	Y81-T83 PolarHBondContact O-N 3.03Å; Y81-T83 VanDerWaalsContact O-N 3.14Å; T83-I85 VanDerWaalsContact C-N 3.32Å; T83-K122 PolarHBondContact O-NZ 3.29Å
84	D	96.3	Very high	94.3	Very high	49 Å²	49	60.9 Å²	60.9	26%	0.262	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3	177.9	-61.4	-32.1	0	0	0	113.4	N82 M115 K122	N82-D84 PolarHBondContact O-N 2.69Å; N82-D84 WeakPolarHBondContact OD1-CB 3.45Å; N82-D84 PolarHBondContact OD1-N 2.92Å; D84-M115 HydrophobicContact CB-CE 3.68Å; D84-M115 HydrophobicContact CB-SD 3.77Å; D84-M115 WeakPolarHBondContact OD2-CE 3.41Å; D84-K122 WeakPolarHBondContact O-CB 3.15Å; D84-K122 IonicContact OD1-NZ 3.81Å; D84-K122 PolarHBondContact OD1-NZ 2.88Å
85	I	98.6	Very high	94.5	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.3	174.5	-54.6	174.5	0	0	0	109.1	N82 T83 F87 L107 A111 L123 V125	N82-I85 HydrophobicContact CB-CD1 3.94Å; N82-I85 HydrophobicContact CB-CG1 4.16Å; N82-I85 PolarHBondContact O-N 3.37Å; T83-I85 VanDerWaalsContact C-N 3.32Å; I85-F87 HydrophobicContact CB-CD2 4.43Å; I85-F87 HydrophobicContact CB-CE2 3.76Å; I85-F87 HydrophobicContact CB-CZ 4.19Å; I85-F87 HydrophobicContact CG2-CD2 4.04Å; I85-F87 HydrophobicContact CG2-CE1 4.25Å; I85-F87 HydrophobicContact CG2-CE2 3.55Å; I85-F87 HydrophobicContact CG2-CZ 3.67Å; I85-L107 HydrophobicContact CD1-CD2 3.79Å; I85-L107 HydrophobicContact CD1-CG 3.76Å; I85-A111 HydrophobicContact CD1-CB 4.09Å; I85-A111 HydrophobicContact CG1-CB 3.65Å; I85-L123 WeakPolarHBondContact CA-O 3.31Å; I85-L123 HydrophobicContact CD1-CD2 4.44Å; I85-L123 HydrophobicContact CG1-CD2 4.34Å; I85-V125 HydrophobicContact CG2-CG2 3.84Å
86	I	98.5	Very high	95	Very high	71 Å²	71	51.9 Å²	51.9	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.2	170.7	-55.5	-175.1	0	0	0	108.1	K122 L123 R124 V125 S152	I86-K122 HydrophobicContact CD1-CB 4.44Å; I86-K122 HydrophobicContact CG1-CB 4.31Å; I86-L123 PolarHBondContact N-O 3.37Å; I86-R124 HydrophobicContact CB-CB 4.12Å; I86-R124 HydrophobicContact CB-CG 4.07Å; I86-R124 HydrophobicContact CG2-CG 4.17Å; I86-R124 CarbonylContact O-C 3.44Å; I86-R124 WeakPolarHBondContact O-CA 3.36Å; I86-V125 PolarHBondContact O-N 2.65Å; I86-S152 VanDerWaalsContact CD1-CB 3.49Å
87	F	98.4	Very high	95.6	Very high	16 Å²	16	51.4 Å²	51.4	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.9	171.5	-67.1	-90.9	0	0	0	108.7	N80 I85 D96 R97 M99 L107 V125	N80-F87 HydrophobicContact CB-CZ 4Å; N80-F87 WeakPolarHBondContact O-CE2 3.25Å; I85-F87 HydrophobicContact CB-CD2 4.43Å; I85-F87 HydrophobicContact CB-CE2 3.76Å; I85-F87 HydrophobicContact CB-CZ 4.19Å; I85-F87 HydrophobicContact CG2-CD2 4.04Å; I85-F87 HydrophobicContact CG2-CE1 4.25Å; I85-F87 HydrophobicContact CG2-CE2 3.55Å; I85-F87 HydrophobicContact CG2-CZ 3.67Å; F87-D96 HydrophobicContact CD1-CB 4.14Å; F87-D96 WeakPolarHBondContact CD1-O 3.41Å; F87-D96 VanDerWaalsContact CE1-O 3.27Å; F87-D96 WeakPolarHBondContact CE1-O 3.4Å; F87-R97 HydrophobicContact CB-CG 4.33Å; F87-R97 HydrophobicContact CD1-CG 3.91Å; F87-R97 HydrophobicContact CD2-CG 4.17Å; F87-R97 HydrophobicContact CE1-CG 4.24Å; F87-R97 HydrophobicContact CE2-CG 4.48Å; F87-R97 HydrophobicContact CG-CG 3.86Å; F87-M99 HydrophobicContact CE1-CE 3.94Å; F87-M99 HydrophobicContact CZ-CE 4.23Å; F87-L107 HydrophobicContact CZ-CD2 4.39Å; F87-V125 HydrophobicContact CD1-CB 3.77Å; F87-V125 HydrophobicContact CD1-CG1 4.12Å; F87-V125 HydrophobicContact CD1-CG2 4.12Å; F87-V125 HydrophobicContact CE1-CB 3.99Å; F87-V125 HydrophobicContact CE1-CG1 4.31Å; F87-V125 HydrophobicContact CE1-CG2 3.82Å; F87-V125 HydrophobicContact CZ-CG2 4.46Å
88	K	97.5	Very high	95.9	Very high	93 Å²	93	52 Å²	52	40%	0.404	27%	0.267	S	S	.	.			trans	-74.5	-47	-179.5	-175.2	-174.8	160.9	-147.8	0	110	E90 D96 R124 V125 T126	K88-E90 VanDerWaalsContact C-N 3.26Å; K88-E90 WeakPolarHBondContact CD-OE2 3.2Å; K88-E90 VanDerWaalsContact CE-CD 3.48Å; K88-E90 WeakPolarHBondContact CE-OE1 3.34Å; K88-E90 WeakPolarHBondContact CE-OE2 3.49Å; K88-E90 WeakPolarHBondContact CG-OE2 3.41Å; K88-E90 IonicContact NZ-OE1 3.24Å; K88-E90 PolarHBondContact NZ-OE1 2.92Å; K88-E90 IonicContact NZ-OE2 2.69Å; K88-E90 PolarHBondContact NZ-OE2 2.71Å; K88-E90 VanDerWaalsContact NZ-OE2 3.16Å; K88-E90 PolarHBondContact O-N 3.36Å; K88-D96 PolarHBondContact N-OD2 3.34Å; K88-R124 VanDerWaalsContact CD-NH2 3.34Å; K88-R124 VanDerWaalsContact CG-NH2 3.25Å; K88-V125 WeakPolarHBondContact CB-O 3.49Å; K88-V125 PolarHBondContact N-O 2.7Å; K88-T126 HydrophobicContact CD-CG2 4.2Å
89	D	94.3	Very high	96.2	Very high	35 Å²	35	50.2 Å²	50.2	19%	0.187	26%	0.256	C	S	.	.			trans	46.3	49.2	173.7	-168.9	22.9	0	0	0	111.9	E91 N92 T93 G94 D96	D89-E91 PolarHBondContact O-N 2.92Å; D89-N92 PolarHBondContact O-N 2.73Å; D89-N92 VanDerWaalsContact O-N 3.12Å; D89-N92 PolarHBondContact OD1-N 2.81Å; D89-T93 PolarHBondContact OD1-N 3.23Å; D89-G94 WeakPolarHBondContact OD1-CA 3.47Å; D89-G94 PolarHBondContact OD1-N 3.36Å; D89-D96 HydrophobicContact CB-CB 4.49Å; D89-D96 PolarHBondContact N-OD2 2.95Å
90	E	91.7	Very high	96.1	Very high	72 Å²	72	48.4 Å²	48.4	34%	0.336	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.4	179.4	64.4	-87.6	-134.1	0	0	112.9	K88 N92	K88-E90 VanDerWaalsContact C-N 3.26Å; K88-E90 WeakPolarHBondContact CD-OE2 3.2Å; K88-E90 VanDerWaalsContact CE-CD 3.48Å; K88-E90 WeakPolarHBondContact CE-OE1 3.34Å; K88-E90 WeakPolarHBondContact CE-OE2 3.49Å; K88-E90 WeakPolarHBondContact CG-OE2 3.41Å; K88-E90 IonicContact NZ-OE1 3.24Å; K88-E90 PolarHBondContact NZ-OE1 2.92Å; K88-E90 IonicContact NZ-OE2 2.69Å; K88-E90 PolarHBondContact NZ-OE2 2.71Å; K88-E90 VanDerWaalsContact NZ-OE2 3.16Å; K88-E90 PolarHBondContact O-N 3.36Å; E90-N92 PolarHBondContact O-N 3.33Å; E90-N92 PolarHBondContact O-ND2 2.87Å; E90-N92 VanDerWaalsContact O-ND2 3.13Å
91	E	91.4	Very high	95.5	Very high	43 Å²	43	52 Å²	52	20%	0.201	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.1	175.9	-61.2	69.8	-147.2	0	0	111.5	D89 T93	D89-E91 PolarHBondContact O-N 2.92Å; E91-T93 HydrophobicContact CB-CG2 4.04Å; E91-T93 PolarHBondContact O-N 3.29Å
92	N	94.1	Very high	95	Very high	142 Å²	142	44.5 Å²	44.5	76%	0.759	23%	0.231	S	C	*	.	S	Bend	trans	55.6	29.8	-171.9	-56.1	-85.9	0	0	0	113.4	D89 E90	D89-N92 PolarHBondContact O-N 2.73Å; D89-N92 VanDerWaalsContact O-N 3.12Å; D89-N92 PolarHBondContact OD1-N 2.81Å; E90-N92 PolarHBondContact O-N 3.33Å; E90-N92 PolarHBondContact O-ND2 2.87Å; E90-N92 VanDerWaalsContact O-ND2 3.13Å
93	T	94	Very high	95.1	Very high	55 Å²	55	42.7 Å²	42.7	34%	0.337	22%	0.222	S	C	.	.	S	Bend	trans	-108.1	-11.6	179.8	60	0	0	0	0	112.4	R69 D89 E91 A95	R69-T93 PolarHBondContact NH2-O 3.03Å; D89-T93 PolarHBondContact OD1-N 3.23Å; E91-T93 HydrophobicContact CB-CG2 4.04Å; E91-T93 PolarHBondContact O-N 3.29Å; T93-A95 PolarHBondContact O-N 2.91Å; T93-A95 VanDerWaalsContact OG1-CB 3.25Å; T93-A95 WeakPolarHBondContact OG1-CB 3.47Å; T93-A95 PolarHBondContact OG1-N 2.69Å
94	G	95.4	Very high	95	Very high	17 Å²	17	39.5 Å²	39.5	18%	0.175	20%	0.198	C	C	.	.	S	Bend	trans	72.1	11.9	-170	0	0	0	0	0	113.6	D89 D96 R97	D89-G94 WeakPolarHBondContact OD1-CA 3.47Å; D89-G94 PolarHBondContact OD1-N 3.36Å; G94-D96 VanDerWaalsContact C-N 3.29Å; G94-D96 PolarHBondContact O-N 3.18Å; G94-R97 WeakPolarHBondContact O-CB 3.47Å; G94-R97 PolarHBondContact O-N 3.12Å
95	A	96.9	Very high	94.3	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.6	-40.4	-176.9	0	0	0	0	0	112.1	T93 R97 M98 W129 E131	T93-A95 PolarHBondContact O-N 2.91Å; T93-A95 VanDerWaalsContact OG1-CB 3.25Å; T93-A95 WeakPolarHBondContact OG1-CB 3.47Å; T93-A95 PolarHBondContact OG1-N 2.69Å; A95-R97 PolarHBondContact O-N 2.89Å; A95-M98 WeakPolarHBondContact O-CB 3.32Å; A95-M98 PolarHBondContact O-N 3.11Å; A95-W129 HydrophobicContact CB-CE3 3.95Å; A95-W129 HydrophobicContact CB-CZ3 4.27Å; A95-W129 WeakPolarHBondContact CB-O 3.42Å; A95-E131 HydrophobicContact CB-CG 4.47Å
96	D	97.9	Very high	94	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-50.3	-25.8	171.4	-103.5	3	0	0	0	115	F87 K88 D89 G94 E127 G128	F87-D96 HydrophobicContact CD1-CB 4.14Å; F87-D96 WeakPolarHBondContact CD1-O 3.41Å; F87-D96 VanDerWaalsContact CE1-O 3.27Å; F87-D96 WeakPolarHBondContact CE1-O 3.4Å; K88-D96 PolarHBondContact N-OD2 3.34Å; D89-D96 HydrophobicContact CB-CB 4.49Å; D89-D96 PolarHBondContact N-OD2 2.95Å; G94-D96 VanDerWaalsContact C-N 3.29Å; G94-D96 PolarHBondContact O-N 3.18Å; D96-E127 VanDerWaalsContact OD1-C 3.29Å; D96-E127 WeakPolarHBondContact OD1-CA 3.24Å; D96-G128 PolarHBondContact OD1-N 3.41Å
97	R	98.3	Very high	93.9	Very high	63 Å²	63	39.2 Å²	39.2	24%	0.238	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-89.3	-18	-179.5	-59.4	176.5	175.1	-80.6	-2.1	112.6	P79 N80 F87 G94 A95	P79-R97 CarbonylContact C-O 3.5Å; P79-R97 WeakPolarHBondContact CA-O 3.45Å; N80-R97 PolarHBondContact N-O 3.03Å; N80-R97 PolarHBondContact O-NH1 3.47Å; F87-R97 HydrophobicContact CB-CG 4.33Å; F87-R97 HydrophobicContact CD1-CG 3.91Å; F87-R97 HydrophobicContact CD2-CG 4.17Å; F87-R97 HydrophobicContact CE1-CG 4.24Å; F87-R97 HydrophobicContact CE2-CG 4.48Å; F87-R97 HydrophobicContact CG-CG 3.86Å; G94-R97 WeakPolarHBondContact O-CB 3.47Å; G94-R97 PolarHBondContact O-N 3.12Å; A95-R97 PolarHBondContact O-N 2.89Å
98	M	98	Very high	93.4	Very high	23 Å²	23	40.2 Å²	40.2	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.6	-176.3	-60.8	-57.6	-59.1	0	0	109.6	F74 L77 P79 A95 W129	F74-M98 HydrophobicContact CE1-CE 4.22Å; F74-M98 HydrophobicContact CE2-CE 4.05Å; F74-M98 HydrophobicContact CE2-CG 4.45Å; F74-M98 HydrophobicContact CZ-CE 3.66Å; F74-M98 HydrophobicContact CZ-CG 4.35Å; F74-M98 HydrophobicContact CZ-SD 4.43Å; L77-M98 HydrophobicContact CB-CB 4.4Å; L77-M98 HydrophobicContact CB-CE 3.69Å; L77-M98 HydrophobicContact CD1-CB 4.23Å; P79-M98 HydrophobicContact CB-SD 3.86Å; P79-M98 HydrophobicContact CG-SD 4.47Å; A95-M98 WeakPolarHBondContact O-CB 3.32Å; A95-M98 PolarHBondContact O-N 3.11Å; M98-W129 HydrophobicContact CB-CB 4.1Å; M98-W129 HydrophobicContact CB-CD2 4.36Å; M98-W129 HydrophobicContact CB-CE3 3.91Å; M98-W129 HydrophobicContact CB-CG 4.48Å; M98-W129 HydrophobicContact CG-CE3 4.13Å; M98-W129 WeakPolarHBondContact O-CB 3.33Å
99	M	97.8	Very high	92.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162.3	-179.3	63	-168.7	67.6	0	0	111.1	T78 N80 F87 C103 K104 L107 G144	T78-M99 PolarHBondContact N-O 2.73Å; T78-M99 PolarHBondContact O-N 2.97Å; T78-M99 VanDerWaalsContact O-O 3.14Å; N80-M99 HydrophobicContact CB-CE 3.74Å; N80-M99 HydrophobicContact CB-SD 3.88Å; F87-M99 HydrophobicContact CE1-CE 3.94Å; F87-M99 HydrophobicContact CZ-CE 4.23Å; M99-C103 HydrophobicContact CB-CB 3.94Å; M99-C103 HydrophobicContact CG-CB 4.28Å; M99-C103 HydrophobicContact SD-CB 4.49Å; M99-K104 HydrophobicContact CG-CB 3.92Å; M99-K104 VanDerWaalsContact SD-CA 3.52Å; M99-K104 HydrophobicContact SD-CB 3.88Å; M99-L107 HydrophobicContact CE-CD2 3.67Å; M99-L107 HydrophobicContact SD-CD2 3.78Å; M99-G144 CarbonylContact C-O 3.33Å; M99-G144 VanDerWaalsContact CA-O 3.27Å; M99-G144 WeakPolarHBondContact CA-O 3.48Å; M99-G144 WeakPolarHBondContact CB-O 3.42Å
100	T	94.3	Very high	92.9	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.037	19%	0.188	C	C	.	.			trans	-64	159.1	171.8	65	0	0	0	0	111.1	L77 R102 C103 K104 G144 R145 E189	L77-T100 HydrophobicContact CD2-CG2 3.96Å; T100-R102 VanDerWaalsContact C-N 3.31Å; T100-R102 PolarHBondContact O-N 3.16Å; T100-C103 WeakPolarHBondContact O-CB 3.29Å; T100-C103 PolarHBondContact O-N 3.06Å; T100-C103 VanDerWaalsContact O-N 3.16Å; T100-C103 WeakPolarHBondContact OG1-CB 3.32Å; T100-C103 PolarHBondContact OG1-N 3.2Å; T100-K104 PolarHBondContact O-N 3.11Å; T100-G144 PolarHBondContact N-O 3.29Å; T100-R145 HydrophobicContact CG2-CG 3.61Å; T100-E189 WeakPolarHBondContact CB-OE1 3.14Å; T100-E189 HydrophobicContact CG2-CG 4.39Å
101	Q	84.4	Confident	93	Very high	77 Å²	77	32.8 Å²	32.8	36%	0.36	17%	0.172	S	C	.	.	H	α-helix	trans	-59.4	-42.4	179.9	-175.7	59.1	51.1	0	0	111.6	C103 K104 D105 E189	Q101-C103 PolarHBondContact O-N 2.89Å; Q101-K104 WeakPolarHBondContact O-CB 3.29Å; Q101-K104 PolarHBondContact O-N 3.31Å; Q101-D105 PolarHBondContact NE2-OD1 2.86Å; Q101-D105 PolarHBondContact O-N 3.37Å; Q101-E189 PolarHBondContact N-OE1 3.49Å
102	R	86.4	Confident	92.6	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-46.3	174.7	-176.4	176.7	-178.1	81.3	-0.1	111.3	T100 K104 D105 K106 D172 V186 E189 P403	T100-R102 VanDerWaalsContact C-N 3.31Å; T100-R102 PolarHBondContact O-N 3.16Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.2Å; R102-D105 PolarHBondContact O-N 2.95Å; R102-K106 WeakPolarHBondContact O-CG 3.44Å; R102-K106 PolarHBondContact O-N 3.45Å; R102-D172 IonicContact CZ-OD1 3.9Å; R102-D172 IonicContact CZ-OD2 3.25Å; R102-D172 IonicContact NE-OD1 3.74Å; R102-D172 IonicContact NE-OD2 3.45Å; R102-D172 PolarHBondContact NE-OD2 3.12Å; R102-D172 IonicContact NH2-OD1 3.54Å; R102-D172 PolarHBondContact NH2-OD1 3.19Å; R102-D172 IonicContact NH2-OD2 3.91Å; R102-D172 PolarHBondContact NH2-OD2 3.18Å; R102-V186 HydrophobicContact CB-CG2 4.44Å; R102-V186 HydrophobicContact CG-CB 4.07Å; R102-V186 HydrophobicContact CG-CG1 4.28Å; R102-V186 HydrophobicContact CG-CG2 4.36Å; R102-E189 VanDerWaalsContact CB-OE1 3.29Å; R102-E189 WeakPolarHBondContact CB-OE1 3.37Å; R102-E189 PolarHBondContact N-OE1 3.48Å; R102-P403 PolarHBondContact NH1-O 3.36Å
103	C	95.9	Very high	92.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-44.1	177.9	-171.1	0	0	0	0	110.7	M99 T100 Q101 D105 K106 L107 V186	M99-C103 HydrophobicContact CB-CB 3.94Å; M99-C103 HydrophobicContact CG-CB 4.28Å; M99-C103 HydrophobicContact SD-CB 4.49Å; T100-C103 WeakPolarHBondContact O-CB 3.29Å; T100-C103 PolarHBondContact O-N 3.06Å; T100-C103 VanDerWaalsContact O-N 3.16Å; T100-C103 WeakPolarHBondContact OG1-CB 3.32Å; T100-C103 PolarHBondContact OG1-N 3.2Å; Q101-C103 PolarHBondContact O-N 2.89Å; C103-D105 PolarHBondContact O-N 3.04Å; C103-K106 PolarHBondContact O-N 2.85Å; C103-L107 WeakPolarHBondContact O-CB 3.48Å; C103-L107 PolarHBondContact O-N 2.87Å; C103-V186 HydrophobicContact CB-CG1 4.47Å; C103-V186 HydrophobicContact CB-CG2 3.69Å
104	K	94.5	Very high	92.6	Very high	47 Å²	47	27.4 Å²	27.4	20%	0.204	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-45.8	175.5	-179.8	171.4	177.8	173.3	0	112.5	P79 N80 M99 T100 Q101 R102 L107 N108	P79-K104 PolarHBondContact O-NZ 2.78Å; N80-K104 HydrophobicContact CB-CD 4.41Å; N80-K104 HydrophobicContact CB-CG 4.3Å; M99-K104 HydrophobicContact CG-CB 3.92Å; M99-K104 VanDerWaalsContact SD-CA 3.52Å; M99-K104 HydrophobicContact SD-CB 3.88Å; T100-K104 PolarHBondContact O-N 3.11Å; Q101-K104 WeakPolarHBondContact O-CB 3.29Å; Q101-K104 PolarHBondContact O-N 3.31Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.2Å; K104-L107 PolarHBondContact O-N 2.86Å; K104-N108 WeakPolarHBondContact O-CB 3.28Å; K104-N108 PolarHBondContact O-N 2.71Å; K104-N108 PolarHBondContact O-ND2 3.47Å
105	D	82.9	Confident	92.6	Very high	76 Å²	76	29 Å²	29	41%	0.406	15%	0.148	S	C	.	.	H	α-helix	trans	-63.5	-46.9	179.7	-63.1	-20.1	0	0	0	111.8	Q101 R102 C103 N108 S109	Q101-D105 PolarHBondContact NE2-OD1 2.86Å; Q101-D105 PolarHBondContact O-N 3.37Å; R102-D105 PolarHBondContact O-N 2.95Å; C103-D105 PolarHBondContact O-N 3.04Å; D105-N108 PolarHBondContact O-N 3.09Å; D105-S109 PolarHBondContact O-N 3.47Å
106	K	90.8	Very high	92.3	Very high	46 Å²	46	35 Å²	35	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-40.3	178.5	-59.1	-45.5	177.9	-176.1	0	111.9	R102 C103 S109 L110 A169 G170 F171 V186	R102-K106 WeakPolarHBondContact O-CG 3.44Å; R102-K106 PolarHBondContact O-N 3.45Å; C103-K106 PolarHBondContact O-N 2.85Å; K106-S109 PolarHBondContact O-N 3.28Å; K106-L110 WeakPolarHBondContact O-CB 3.29Å; K106-L110 PolarHBondContact O-N 2.99Å; K106-A169 WeakPolarHBondContact CD-O 3.31Å; K106-G170 WeakPolarHBondContact CD-O 3.19Å; K106-G170 VanDerWaalsContact CE-O 3.23Å; K106-G170 WeakPolarHBondContact CE-O 3.48Å; K106-F171 HydrophobicContact CB-CD1 4.21Å; K106-F171 HydrophobicContact CB-CD2 3.96Å; K106-F171 HydrophobicContact CB-CE1 4.07Å; K106-F171 HydrophobicContact CB-CE2 3.8Å; K106-F171 HydrophobicContact CB-CG 4.17Å; K106-F171 HydrophobicContact CB-CZ 3.87Å; K106-V186 HydrophobicContact CB-CG1 4.47Å; K106-V186 HydrophobicContact CG-CG1 4.09Å
107	L	97.5	Very high	92.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-40.1	178	-166.5	72.5	0	0	0	112.1	I85 F87 M99 C103 K104 L110 A111 L123 V125 V147 I149 F171	I85-L107 HydrophobicContact CD1-CD2 3.79Å; I85-L107 HydrophobicContact CD1-CG 3.76Å; F87-L107 HydrophobicContact CZ-CD2 4.39Å; M99-L107 HydrophobicContact CE-CD2 3.67Å; M99-L107 HydrophobicContact SD-CD2 3.78Å; C103-L107 WeakPolarHBondContact O-CB 3.48Å; C103-L107 PolarHBondContact O-N 2.87Å; K104-L107 PolarHBondContact O-N 2.86Å; L107-L110 PolarHBondContact O-N 3.5Å; L107-A111 PolarHBondContact O-N 2.91Å; L107-L123 HydrophobicContact CD1-CD2 3.59Å; L107-L123 HydrophobicContact CG-CD2 3.96Å; L107-V125 HydrophobicContact CD1-CG2 4.15Å; L107-V125 HydrophobicContact CD2-CG2 3.86Å; L107-V147 HydrophobicContact CD1-CG2 4.08Å; L107-I149 HydrophobicContact CD1-CG2 4.15Å; L107-F171 HydrophobicContact CB-CZ 4.17Å; L107-F171 HydrophobicContact CD1-CZ 4.02Å
108	N	86.6	Confident	92.2	Very high	37 Å²	37	37.7 Å²	37.7	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-42.2	176.5	-71.4	-20.9	0	0	0	112	N80 N82 K104 D105 L110 A111 I112	N80-N108 PolarHBondContact ND2-OD1 2.86Å; N82-N108 WeakPolarHBondContact CB-OD1 3.34Å; N82-N108 PolarHBondContact ND2-OD1 2.91Å; K104-N108 WeakPolarHBondContact O-CB 3.28Å; K104-N108 PolarHBondContact O-N 2.71Å; K104-N108 PolarHBondContact O-ND2 3.47Å; D105-N108 PolarHBondContact O-N 3.09Å; N108-L110 VanDerWaalsContact C-N 3.32Å; N108-L110 PolarHBondContact O-N 3.45Å; N108-A111 WeakPolarHBondContact O-CB 3.29Å; N108-A111 PolarHBondContact O-N 3.18Å; N108-I112 PolarHBondContact O-N 2.95Å
109	S	86.7	Confident	92.2	Very high	45 Å²	45	42.2 Å²	42.2	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-41.4	173.2	-178.2	0	0	0	0	111.9	D105 K106 A111 I112 S113	D105-S109 PolarHBondContact O-N 3.47Å; K106-S109 PolarHBondContact O-N 3.28Å; S109-A111 PolarHBondContact O-N 2.96Å; S109-I112 PolarHBondContact O-N 3.18Å; S109-S113 PolarHBondContact O-N 3.16Å; S109-S113 VanDerWaalsContact O-N 3.13Å; S109-S113 PolarHBondContact O-OG 2.78Å
110	L	96.3	Very high	92	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-40.7	174.9	-179.1	56.4	0	0	0	112.2	K106 L107 N108 I112 S113 V114 L123 I149 L162 L165 A166 A169 F171	K106-L110 WeakPolarHBondContact O-CB 3.29Å; K106-L110 PolarHBondContact O-N 2.99Å; L107-L110 PolarHBondContact O-N 3.5Å; N108-L110 VanDerWaalsContact C-N 3.32Å; N108-L110 PolarHBondContact O-N 3.45Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 2.92Å; L110-S113 WeakPolarHBondContact O-CB 3.34Å; L110-S113 PolarHBondContact O-N 2.54Å; L110-S113 VanDerWaalsContact O-N 3.09Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.45Å; L110-V114 PolarHBondContact O-N 2.9Å; L110-L123 HydrophobicContact CB-CD2 4.19Å; L110-L123 HydrophobicContact CD2-CD1 4.04Å; L110-L123 HydrophobicContact CD2-CD2 4.09Å; L110-L123 HydrophobicContact CG-CD1 4.24Å; L110-L123 HydrophobicContact CG-CD2 3.98Å; L110-I149 HydrophobicContact CD2-CD1 3.38Å; L110-L162 HydrophobicContact CD1-CD1 4.44Å; L110-L165 VanDerWaalsContact CD1-C 3.49Å; L110-L165 HydrophobicContact CD1-CB 3.57Å; L110-A166 HydrophobicContact CD1-CB 4.32Å; L110-A166 HydrophobicContact CD2-CB 3.81Å; L110-A169 HydrophobicContact CB-CB 3.82Å; L110-A169 HydrophobicContact CD1-CB 4.3Å; L110-F171 HydrophobicContact CB-CE2 4.2Å; L110-F171 HydrophobicContact CD2-CE2 3.84Å
111	A	92.6	Very high	92.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-43.2	178.8	0	0	0	0	0	112	I85 L107 N108 S109 V114 M115 L123	I85-A111 HydrophobicContact CD1-CB 4.09Å; I85-A111 HydrophobicContact CG1-CB 3.65Å; L107-A111 PolarHBondContact O-N 2.91Å; N108-A111 WeakPolarHBondContact O-CB 3.29Å; N108-A111 PolarHBondContact O-N 3.18Å; S109-A111 PolarHBondContact O-N 2.96Å; A111-V114 PolarHBondContact O-N 2.99Å; A111-M115 WeakPolarHBondContact O-CG 3.33Å; A111-M115 PolarHBondContact O-N 3.45Å; A111-M115 VanDerWaalsContact O-N 3.14Å; A111-L123 HydrophobicContact CB-CB 4.16Å; A111-L123 HydrophobicContact CB-CD2 4.11Å
112	I	83.3	Confident	92.9	Very high	93 Å²	93	46.1 Å²	46.1	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-47.2	174.2	-62.6	166.5	0	0	0	110.3	N108 S109 L110 V114 M115 N116	N108-I112 PolarHBondContact O-N 2.95Å; S109-I112 PolarHBondContact O-N 3.18Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 2.92Å; I112-V114 VanDerWaalsContact C-N 3.32Å; I112-V114 PolarHBondContact O-N 3.44Å; I112-M115 PolarHBondContact O-N 3.3Å; I112-N116 WeakPolarHBondContact O-CB 3.03Å; I112-N116 PolarHBondContact O-N 2.86Å; I112-N116 PolarHBondContact O-ND2 3.36Å
113	S	90.6	Very high	93.5	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-38.8	179.8	-62.9	0	0	0	0	112.7	S109 L110 N116 Q117	S109-S113 PolarHBondContact O-N 3.16Å; S109-S113 VanDerWaalsContact O-N 3.13Å; S109-S113 PolarHBondContact O-OG 2.78Å; L110-S113 WeakPolarHBondContact O-CB 3.34Å; L110-S113 PolarHBondContact O-N 2.54Å; L110-S113 VanDerWaalsContact O-N 3.09Å; S113-N116 PolarHBondContact O-N 3.24Å; S113-Q117 VanDerWaalsContact O-CB 3.26Å; S113-Q117 WeakPolarHBondContact O-CB 3.5Å; S113-Q117 PolarHBondContact O-N 3.11Å
114	V	97.2	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-47	177.1	168.7	0	0	0	0	111.3	L110 A111 I112 N116 Q117 W118 V121 L123 L162 L165	L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.45Å; L110-V114 PolarHBondContact O-N 2.9Å; A111-V114 PolarHBondContact O-N 2.99Å; I112-V114 VanDerWaalsContact C-N 3.32Å; I112-V114 PolarHBondContact O-N 3.44Å; V114-N116 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 2.99Å; V114-Q117 PolarHBondContact O-N 3.17Å; V114-W118 HydrophobicContact CG1-CE3 4.03Å; V114-W118 HydrophobicContact CG1-CZ3 4.33Å; V114-W118 HydrophobicContact CG2-CZ3 4.4Å; V114-W118 PolarHBondContact O-N 3.06Å; V114-V121 HydrophobicContact CG1-CG1 4.42Å; V114-L123 HydrophobicContact CB-CB 4.48Å; V114-L123 HydrophobicContact CG2-CB 4.38Å; V114-L123 HydrophobicContact CG2-CD1 4.26Å; V114-L162 HydrophobicContact CG2-CD1 3.51Å; V114-L165 HydrophobicContact CG2-CD1 4.28Å
115	M	95.3	Very high	93.8	Very high	51 Å²	51	45.1 Å²	45.1	25%	0.251	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-36.1	178.8	-67.8	-171.8	-63.8	0	0	112.4	D84 A111 I112 W118	D84-M115 HydrophobicContact CB-CE 3.68Å; D84-M115 HydrophobicContact CB-SD 3.77Å; D84-M115 WeakPolarHBondContact OD2-CE 3.41Å; A111-M115 WeakPolarHBondContact O-CG 3.33Å; A111-M115 PolarHBondContact O-N 3.45Å; A111-M115 VanDerWaalsContact O-N 3.14Å; I112-M115 PolarHBondContact O-N 3.3Å; M115-W118 CarbonylContact O-C 3.36Å
116	N	91.9	Very high	94.5	Very high	129 Å²	129	42.4 Å²	42.4	69%	0.69	25%	0.245	S	C	*	.	H	α-helix	trans	-69.7	-37.9	175	-73.3	-22.2	0	0	0	112.2	I112 S113 V114	I112-N116 WeakPolarHBondContact O-CB 3.03Å; I112-N116 PolarHBondContact O-N 2.86Å; I112-N116 PolarHBondContact O-ND2 3.36Å; S113-N116 PolarHBondContact O-N 3.24Å; V114-N116 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 2.99Å
117	Q	96.1	Very high	94.9	Very high	79 Å²	79	41.2 Å²	41.2	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-72.2	-36.4	179.5	-176.8	59.8	75.7	0	0	112.1	S113 V114 T161 L165	S113-Q117 VanDerWaalsContact O-CB 3.26Å; S113-Q117 WeakPolarHBondContact O-CB 3.5Å; S113-Q117 PolarHBondContact O-N 3.11Å; V114-Q117 PolarHBondContact O-N 3.17Å; Q117-T161 HydrophobicContact CG-CG2 4.29Å; Q117-L165 HydrophobicContact CB-CD1 3.79Å; Q117-L165 HydrophobicContact CG-CD1 3.99Å
118	W	97.9	Very high	94.9	Very high	41 Å²	41	41.3 Å²	41.3	16%	0.155	24%	0.241	C	C	.	.	S	Bend	trans	-136.9	94.1	-178	-58.6	-66.4	0	0	0	110.7	V114 M115 G120 V121 T151 K158 T161 L162 L165	V114-W118 HydrophobicContact CG1-CE3 4.03Å; V114-W118 HydrophobicContact CG1-CZ3 4.33Å; V114-W118 HydrophobicContact CG2-CZ3 4.4Å; V114-W118 PolarHBondContact O-N 3.06Å; M115-W118 CarbonylContact O-C 3.36Å; W118-G120 PolarHBondContact O-N 2.8Å; W118-V121 HydrophobicContact CB-CB 3.76Å; W118-V121 HydrophobicContact CB-CG2 3.84Å; W118-V121 PolarHBondContact O-N 3.23Å; W118-T151 HydrophobicContact CE3-CG2 4.32Å; W118-T151 HydrophobicContact CZ3-CG2 4.05Å; W118-K158 HydrophobicContact CD2-CD 3.9Å; W118-K158 HydrophobicContact CE3-CD 4.45Å; W118-K158 HydrophobicContact CG-CD 4.14Å; W118-K158 HydrophobicContact CH2-CB 3.95Å; W118-K158 HydrophobicContact CZ2-CB 3.7Å; W118-K158 HydrophobicContact CZ2-CD 4.18Å; W118-K158 HydrophobicContact CZ2-CG 3.97Å; W118-T161 HydrophobicContact CH2-CG2 3.84Å; W118-T161 HydrophobicContact CZ2-CG2 3.66Å; W118-L162 HydrophobicContact CH2-CB 4.26Å; W118-L165 HydrophobicContact CH2-CD1 4.08Å; W118-L165 HydrophobicContact CZ3-CD1 3.82Å
119	P	96.7	Very high	95.4	Very high	117 Å²	117	39.6 Å²	39.6	76%	0.76	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.2	177.5	-27.7	35.5	0	0	0	112	V121	P119-V121 VanDerWaalsContact C-N 3.34Å
120	G	94.7	Very high	95.8	Very high	83 Å²	83	37.6 Å²	37.6	86%	0.856	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-3.6	-178.7	0	0	0	0	0	115.5	W118	W118-G120 PolarHBondContact O-N 2.8Å
121	V	98.4	Very high	95.5	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.091	23%	0.23	C	C	.	.			trans	-102.9	133.6	173.7	-179.2	0	0	0	0	109.4	V114 W118 P119 T151	V114-V121 HydrophobicContact CG1-CG1 4.42Å; W118-V121 HydrophobicContact CB-CB 3.76Å; W118-V121 HydrophobicContact CB-CG2 3.84Å; W118-V121 PolarHBondContact O-N 3.23Å; P119-V121 VanDerWaalsContact C-N 3.34Å; V121-T151 HydrophobicContact CG1-CG2 4.11Å
122	K	98.6	Very high	95.3	Very high	69 Å²	69	44.9 Å²	44.9	30%	0.3	25%	0.254	S	S	.	.			trans	-104.7	159.2	176.5	-73.3	-173.1	169.5	-165.3	0	111.3	T83 D84 I86 S152	T83-K122 PolarHBondContact O-NZ 3.29Å; D84-K122 WeakPolarHBondContact O-CB 3.15Å; D84-K122 IonicContact OD1-NZ 3.81Å; D84-K122 PolarHBondContact OD1-NZ 2.88Å; I86-K122 HydrophobicContact CD1-CB 4.44Å; I86-K122 HydrophobicContact CG1-CB 4.31Å; K122-S152 PolarHBondContact N-OG 2.83Å; K122-S152 WeakPolarHBondContact O-CB 3.13Å; K122-S152 PolarHBondContact O-N 3.35Å; K122-S152 PolarHBondContact O-OG 2.76Å
123	L	98.8	Very high	95.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	143.4	166.4	-179.2	63.1	0	0	0	109	I85 I86 L107 L110 A111 V114 I149 L162	I85-L123 WeakPolarHBondContact CA-O 3.31Å; I85-L123 HydrophobicContact CD1-CD2 4.44Å; I85-L123 HydrophobicContact CG1-CD2 4.34Å; I86-L123 PolarHBondContact N-O 3.37Å; L107-L123 HydrophobicContact CD1-CD2 3.59Å; L107-L123 HydrophobicContact CG-CD2 3.96Å; L110-L123 HydrophobicContact CB-CD2 4.19Å; L110-L123 HydrophobicContact CD2-CD1 4.04Å; L110-L123 HydrophobicContact CD2-CD2 4.09Å; L110-L123 HydrophobicContact CG-CD1 4.24Å; L110-L123 HydrophobicContact CG-CD2 3.98Å; A111-L123 HydrophobicContact CB-CB 4.16Å; A111-L123 HydrophobicContact CB-CD2 4.11Å; V114-L123 HydrophobicContact CB-CB 4.48Å; V114-L123 HydrophobicContact CG2-CB 4.38Å; V114-L123 HydrophobicContact CG2-CD1 4.26Å; L123-I149 HydrophobicContact CD1-CB 4.04Å; L123-I149 HydrophobicContact CD1-CD1 4.07Å; L123-I149 HydrophobicContact CD1-CG2 4.33Å; L123-L162 HydrophobicContact CD1-CD1 4.06Å
124	R	98.8	Very high	95.4	Very high	32 Å²	32	46.7 Å²	46.7	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	120.1	177.4	176.8	175.3	174.8	-79.3	-9.9	111.2	I86 K88 I149 T150	I86-R124 HydrophobicContact CB-CB 4.12Å; I86-R124 HydrophobicContact CB-CG 4.07Å; I86-R124 HydrophobicContact CG2-CG 4.17Å; I86-R124 CarbonylContact O-C 3.44Å; I86-R124 WeakPolarHBondContact O-CA 3.36Å; K88-R124 VanDerWaalsContact CD-NH2 3.34Å; K88-R124 VanDerWaalsContact CG-NH2 3.25Å; R124-I149 CarbonylContact O-C 3.5Å; R124-I149 WeakPolarHBondContact O-CA 3.35Å; R124-T150 WeakPolarHBondContact CB-OG1 3.1Å; R124-T150 WeakPolarHBondContact CG-OG1 3.28Å; R124-T150 PolarHBondContact N-O 3.11Å; R124-T150 PolarHBondContact NH1-OG1 2.88Å; R124-T150 PolarHBondContact O-N 3.23Å; R124-T150 PolarHBondContact O-OG1 2.77Å
125	V	98.8	Very high	95.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.1	171.9	179.4	0	0	0	0	108.7	I85 I86 F87 K88 L107 E127 V147 D148 I149	I85-V125 HydrophobicContact CG2-CG2 3.84Å; I86-V125 PolarHBondContact O-N 2.65Å; F87-V125 HydrophobicContact CD1-CB 3.77Å; F87-V125 HydrophobicContact CD1-CG1 4.12Å; F87-V125 HydrophobicContact CD1-CG2 4.12Å; F87-V125 HydrophobicContact CE1-CB 3.99Å; F87-V125 HydrophobicContact CE1-CG1 4.31Å; F87-V125 HydrophobicContact CE1-CG2 3.82Å; F87-V125 HydrophobicContact CZ-CG2 4.46Å; K88-V125 WeakPolarHBondContact CB-O 3.49Å; K88-V125 PolarHBondContact N-O 2.7Å; L107-V125 HydrophobicContact CD1-CG2 4.15Å; L107-V125 HydrophobicContact CD2-CG2 3.86Å; V125-E127 WeakPolarHBondContact CG1-O 3.49Å; V125-V147 HydrophobicContact CG1-CB 4.48Å; V125-V147 HydrophobicContact CG1-CG1 4.44Å; V125-D148 WeakPolarHBondContact CA-O 3.39Å; V125-I149 HydrophobicContact CG2-CG2 4.23Å
126	T	97.8	Very high	94.7	Very high	20 Å²	20	51 Å²	51	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-23.2	174.9	43.1	0	0	0	0	114.3	K88 D148 T150	K88-T126 HydrophobicContact CD-CG2 4.2Å; T126-D148 PolarHBondContact N-O 3.47Å; T126-D148 WeakPolarHBondContact OG1-CB 3.3Å; T126-D148 PolarHBondContact OG1-O 3.45Å; T126-T150 HydrophobicContact CG2-CG2 4.06Å
127	E	98.3	Very high	94.5	Very high	21 Å²	21	51.7 Å²	51.7	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	135.9	-179.9	-172.9	63.1	-115.3	0	0	107.3	D96 V125 H135 V147 D148	D96-E127 VanDerWaalsContact OD1-C 3.29Å; D96-E127 WeakPolarHBondContact OD1-CA 3.24Å; V125-E127 WeakPolarHBondContact CG1-O 3.49Å; E127-H135 VanDerWaalsContact CG-NE2 3.34Å; E127-H135 WeakPolarHBondContact CG-NE2 3.41Å; E127-V147 CarbonylContact O-C 3.52Å; E127-V147 VanDerWaalsContact O-CA 3.27Å; E127-V147 WeakPolarHBondContact O-CA 3.26Å; E127-D148 HydrophobicContact CB-CB 3.87Å; E127-D148 PolarHBondContact O-N 2.92Å
128	G	97	Very high	94.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.01	29%	0.293	C	S	.	.			trans	-128.3	-114	-179.7	0	0	0	0	0	111.5	D96 H141	D96-G128 PolarHBondContact OD1-N 3.41Å; G128-H141 PolarHBondContact O-ND1 3.41Å
129	W	98.1	Very high	94.3	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	29%	0.286	C	S	.	.	S	Bend	trans	-80.7	116	171.6	171.4	63.5	0	0	0	110.4	I67 R69 F74 L77 A95 M98 E131 H141 Y142	I67-W129 VanDerWaalsContact O-CZ2 3.32Å; I67-W129 WeakPolarHBondContact O-CZ2 3.43Å; I67-W129 PolarHBondContact O-NE1 3.48Å; R69-W129 HydrophobicContact CB-CH2 4.02Å; F74-W129 AromaticContact CD2-CH2 3.82Å; F74-W129 HydrophobicContact CD2-CH2 3.82Å; F74-W129 AromaticContact CD2-CZ2 3.86Å; F74-W129 HydrophobicContact CD2-CZ2 3.86Å; F74-W129 HydrophobicContact CD2-CZ3 4.33Å; F74-W129 HydrophobicContact CE2-CD2 4.41Å; F74-W129 AromaticContact CE2-CE3 3.98Å; F74-W129 HydrophobicContact CE2-CE3 3.98Å; F74-W129 AromaticContact CE2-CH2 3.36Å; F74-W129 HydrophobicContact CE2-CH2 3.36Å; F74-W129 AromaticContact CE2-CZ2 3.82Å; F74-W129 HydrophobicContact CE2-CZ2 3.82Å; F74-W129 AromaticContact CE2-CZ3 3.46Å; F74-W129 HydrophobicContact CE2-CZ3 3.46Å; F74-W129 VanDerWaalsContact CE2-CZ3 3.46Å; F74-W129 HydrophobicContact CZ-CH2 4.3Å; F74-W129 HydrophobicContact CZ-CZ3 4.2Å; L77-W129 HydrophobicContact CD1-CB 4.43Å; L77-W129 HydrophobicContact CD1-CD2 3.91Å; L77-W129 HydrophobicContact CD1-CG 3.8Å; A95-W129 HydrophobicContact CB-CE3 3.95Å; A95-W129 HydrophobicContact CB-CZ3 4.27Å; A95-W129 WeakPolarHBondContact CB-O 3.42Å; M98-W129 HydrophobicContact CB-CB 4.1Å; M98-W129 HydrophobicContact CB-CD2 4.36Å; M98-W129 HydrophobicContact CB-CE3 3.91Å; M98-W129 HydrophobicContact CB-CG 4.48Å; M98-W129 HydrophobicContact CG-CE3 4.13Å; M98-W129 WeakPolarHBondContact O-CB 3.33Å; W129-E131 HydrophobicContact CH2-CB 4.17Å; W129-E131 WeakPolarHBondContact CH2-OE1 3.4Å; W129-E131 HydrophobicContact CZ2-CB 4.44Å; W129-E131 HydrophobicContact CZ3-CB 4.45Å; W129-E131 WeakPolarHBondContact CZ3-OE1 3Å; W129-H141 VanDerWaalsContact CA-O 3.31Å; W129-H141 WeakPolarHBondContact CA-O 3.29Å; W129-Y142 PolarHBondContact NE1-O 2.88Å
130	D	95.1	Very high	94.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	25%	0.25	C	C	.	.			trans	-92.4	120.6	-176.7	176.8	14.6	0	0	0	111.4	D132 G133 H134 H135 H141 Y142	D130-D132 WeakPolarHBondContact OD1-CA 3.33Å; D130-D132 PolarHBondContact OD1-N 3.43Å; D130-G133 PolarHBondContact OD1-N 2.94Å; D130-G133 VanDerWaalsContact OD1-N 3.1Å; D130-G133 PolarHBondContact OD2-N 3.39Å; D130-H134 IonicContact OD1-ND1 3.19Å; D130-H134 PolarHBondContact OD2-N 3.06Å; D130-H135 IonicContact OD2-CD2 3.61Å; D130-H135 PolarHBondContact OD2-CD2 2.7Å; D130-H135 IonicContact OD2-NE2 2.77Å; D130-H141 HydrophobicContact CB-CB 4.13Å; D130-H141 PolarHBondContact N-O 3.43Å; D130-Y142 HydrophobicContact CB-CD1 4.15Å; D130-Y142 HydrophobicContact CB-CE1 4.14Å; D130-Y142 WeakPolarHBondContact O-CD1 3.12Å; D130-Y142 WeakPolarHBondContact OD2-CE1 3.35Å
131	E	90.4	Very high	94.5	Very high	59 Å²	59	41.3 Å²	41.3	28%	0.276	21%	0.209	S	C	.	.	S	Bend	trans	-92.8	-24	172.7	50.7	-176	60.7	0	0	113.4	K66 R69 A95 W129	K66-E131 PolarHBondContact NZ-O 3.26Å; R69-E131 IonicContact NE-OE1 2.71Å; R69-E131 PolarHBondContact NE-OE1 3.4Å; R69-E131 IonicContact NH2-OE1 2.57Å; A95-E131 HydrophobicContact CB-CG 4.47Å; W129-E131 HydrophobicContact CH2-CB 4.17Å; W129-E131 WeakPolarHBondContact CH2-OE1 3.4Å; W129-E131 HydrophobicContact CZ2-CB 4.44Å; W129-E131 HydrophobicContact CZ3-CB 4.45Å; W129-E131 WeakPolarHBondContact CZ3-OE1 3Å
132	D	88.3	Confident	94.5	Very high	95 Å²	95	41.3 Å²	41.3	51%	0.508	21%	0.207	S	C	.	.	S	Bend	trans	-89.2	-20.3	-166.1	-68.4	-31.6	0	0	0	114.4	D130 H134	D130-D132 WeakPolarHBondContact OD1-CA 3.33Å; D130-D132 PolarHBondContact OD1-N 3.43Å; D132-H134 WeakPolarHBondContact CB-CE1 3.4Å; D132-H134 IonicContact OD2-CE1 3.4Å
133	G	87.6	Confident	94.4	Very high	36 Å²	36	38 Å²	38	37%	0.371	19%	0.193	S	C	.	.			trans	90.2	33.6	175	0	0	0	0	0	114.1	D130 H135 Y142	D130-G133 PolarHBondContact OD1-N 2.94Å; D130-G133 VanDerWaalsContact OD1-N 3.1Å; D130-G133 PolarHBondContact OD2-N 3.39Å; G133-H135 VanDerWaalsContact C-N 3.32Å; G133-Y142 WeakPolarHBondContact CA-OH 3.12Å
134	H	87.1	Confident	94.3	Very high	129 Å²	129	38 Å²	38	60%	0.597	19%	0.193	S	C	*	.			trans	-78.4	-15.5	-179.5	-64.6	129	0	0	0	113.8	D130 D132	D130-H134 IonicContact OD1-ND1 3.19Å; D130-H134 PolarHBondContact OD2-N 3.06Å; D132-H134 WeakPolarHBondContact CB-CE1 3.4Å; D132-H134 IonicContact OD2-CE1 3.4Å
135	H	91.3	Very high	94.2	Very high	38 Å²	38	36.7 Å²	36.7	18%	0.176	19%	0.188	C	C	.	.	S	Bend	trans	-93	172.8	177.9	-58.2	-78	0	0	0	114.4	E127 D130 G133 S139 H141 Y142	E127-H135 VanDerWaalsContact CG-NE2 3.34Å; E127-H135 WeakPolarHBondContact CG-NE2 3.41Å; D130-H135 IonicContact OD2-CD2 3.61Å; D130-H135 PolarHBondContact OD2-CD2 2.7Å; D130-H135 IonicContact OD2-NE2 2.77Å; G133-H135 VanDerWaalsContact C-N 3.32Å; H135-S139 WeakPolarHBondContact CB-OG 3.35Å; H135-H141 VanDerWaalsContact CD2-CB 3.42Å; H135-H141 WeakPolarHBondContact CD2-CB 3.44Å; H135-H141 AromaticContact CD2-CD2 3.96Å; H135-H141 AromaticContact CD2-CG 3.68Å; H135-H141 AromaticContact CE1-CD2 3.4Å; H135-H141 PolarHBondContact CE1-CD2 3.29Å; H135-H141 AromaticContact CE1-CE1 3.9Å; H135-H141 AromaticContact CE1-CG 3.62Å; H135-H141 AromaticContact CE1-ND1 3.94Å; H135-H141 AromaticContact CE1-NE2 3.64Å; H135-H141 AromaticContact ND1-CD2 3.7Å; H135-H141 WeakPolarHBondContact NE2-CB 3.44Å; H135-H141 AromaticContact NE2-CD2 3.55Å; H135-H141 AromaticContact NE2-CG 3.26Å; H135-H141 VanDerWaalsContact NE2-CG 3.26Å; H135-H141 AromaticContact NE2-ND1 3.6Å; H135-Y142 HydrophobicContact CB-CE2 4.47Å; H135-Y142 PolarHBondContact N-OH 2.86Å; H135-Y142 PolarHBondContact O-OH 3.4Å
136	F	87.2	Confident	94.2	Very high	102 Å²	102	36.7 Å²	36.7	45%	0.447	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-70.1	159.7	173.7	60.2	-87.5	0	0	0	111.6	E138 S139 Y142	F136-E138 PolarHBondContact O-N 2.9Å; F136-S139 VanDerWaalsContact O-CB 3.28Å; F136-S139 WeakPolarHBondContact O-CB 3.3Å; F136-S139 PolarHBondContact O-N 2.64Å; F136-Y142 WeakPolarHBondContact O-CE2 3.21Å
137	D	87.6	Confident	94.3	Very high	144 Å²	144	35.7 Å²	35.7	77%	0.77	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	134.3	176.9	-67.2	-26.7	0	0	0	111.4	S139	D137-S139 VanDerWaalsContact C-N 3.32Å; D137-S139 PolarHBondContact O-N 2.82Å
138	E	92.3	Very high	94.3	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	30.2	-175.9	-48.7	177.5	166	0	0	115.2	K55 Y63 F136	K55-E138 VanDerWaalsContact NZ-CB 3.29Å; K55-E138 PolarHBondContact NZ-O 2.87Å; K55-E138 IonicContact NZ-OE2 3.74Å; K55-E138 PolarHBondContact NZ-OE2 2.91Å; Y63-E138 HydrophobicContact CD1-CB 3.68Å; Y63-E138 HydrophobicContact CD1-CG 3.71Å; Y63-E138 HydrophobicContact CD2-CB 3.97Å; Y63-E138 HydrophobicContact CE1-CB 4.08Å; Y63-E138 HydrophobicContact CE1-CG 3.97Å; Y63-E138 HydrophobicContact CE2-CB 4.37Å; Y63-E138 HydrophobicContact CG-CB 3.61Å; Y63-E138 HydrophobicContact CG-CG 4.16Å; F136-E138 PolarHBondContact O-N 2.9Å
139	S	97.1	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-63.6	141.1	167.8	176.2	0	0	0	0	111.7	H135 F136 D137 H141 Y142	H135-S139 WeakPolarHBondContact CB-OG 3.35Å; F136-S139 VanDerWaalsContact O-CB 3.28Å; F136-S139 WeakPolarHBondContact O-CB 3.3Å; F136-S139 PolarHBondContact O-N 2.64Å; D137-S139 VanDerWaalsContact C-N 3.32Å; D137-S139 PolarHBondContact O-N 2.82Å; S139-H141 PolarHBondContact O-N 3.46Å; S139-H141 PolarHBondContact OG-CD2 2.94Å; S139-H141 PolarHBondContact OG-N 3.49Å; S139-Y142 WeakPolarHBondContact O-CB 3.43Å; S139-Y142 WeakPolarHBondContact O-CD2 3.41Å; S139-Y142 PolarHBondContact O-N 2.55Å
140	L	97.7	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-74.1	-12.1	176	-63.9	-168.9	0	0	0	113.4	E54 S60 Y63 Y142 E143 R145 A146	E54-L140 HydrophobicContact CG-CD1 4.12Å; E54-L140 WeakPolarHBondContact OE1-CD1 3.35Å; S60-L140 VanDerWaalsContact CB-CD1 3.46Å; Y63-L140 HydrophobicContact CD2-CD2 4.41Å; L140-Y142 PolarHBondContact O-N 3.2Å; L140-E143 PolarHBondContact O-N 2.83Å; L140-E143 VanDerWaalsContact O-N 3.15Å; L140-R145 HydrophobicContact CB-CB 4.21Å; L140-R145 PolarHBondContact O-N 3.41Å; L140-R145 VanDerWaalsContact O-N 3.16Å; L140-A146 HydrophobicContact CB-CB 3.94Å; L140-A146 PolarHBondContact O-N 3.33Å
141	H	98.3	Very high	94.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.1	-35.9	168.5	-75.5	-87.6	0	0	0	111.2	G128 W129 D130 H135 S139 E143 G144 D148 H183	G128-H141 PolarHBondContact O-ND1 3.41Å; W129-H141 VanDerWaalsContact CA-O 3.31Å; W129-H141 WeakPolarHBondContact CA-O 3.29Å; D130-H141 HydrophobicContact CB-CB 4.13Å; D130-H141 PolarHBondContact N-O 3.43Å; H135-H141 VanDerWaalsContact CD2-CB 3.42Å; H135-H141 WeakPolarHBondContact CD2-CB 3.44Å; H135-H141 AromaticContact CD2-CD2 3.96Å; H135-H141 AromaticContact CD2-CG 3.68Å; H135-H141 AromaticContact CE1-CD2 3.4Å; H135-H141 PolarHBondContact CE1-CD2 3.29Å; H135-H141 AromaticContact CE1-CE1 3.9Å; H135-H141 AromaticContact CE1-CG 3.62Å; H135-H141 AromaticContact CE1-ND1 3.94Å; H135-H141 AromaticContact CE1-NE2 3.64Å; H135-H141 AromaticContact ND1-CD2 3.7Å; H135-H141 WeakPolarHBondContact NE2-CB 3.44Å; H135-H141 AromaticContact NE2-CD2 3.55Å; H135-H141 AromaticContact NE2-CG 3.26Å; H135-H141 VanDerWaalsContact NE2-CG 3.26Å; H135-H141 AromaticContact NE2-ND1 3.6Å; S139-H141 PolarHBondContact O-N 3.46Å; S139-H141 PolarHBondContact OG-CD2 2.94Å; S139-H141 PolarHBondContact OG-N 3.49Å; H141-E143 PolarHBondContact O-N 2.77Å; H141-G144 PolarHBondContact O-N 3Å; H141-G144 VanDerWaalsContact O-N 3.12Å; H141-D148 IonicContact CE1-OD1 3.16Å; H141-D148 IonicContact CE1-OD2 3.87Å; H141-D148 IonicContact NE2-OD1 3.47Å; H141-D148 IonicContact NE2-OD2 3.99Å; H141-H183 AromaticContact CD2-CE1 3.65Å; H141-H183 AromaticContact NE2-CE1 3.19Å; H141-H183 PolarHBondContact NE2-CE1 3.32Å; H141-H183 AromaticContact NE2-ND1 3.18Å; H141-H183 PolarHBondContact NE2-ND1 2.89Å; H141-H183 VanDerWaalsContact NE2-ND1 3.18Å
142	Y	97.7	Very high	95	Very high	15 Å²	15	33.9 Å²	33.9	6%	0.059	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65	-9.3	176.9	-61.8	-38.4	0	0	0	114.8	Y63 K66 I67 W129 D130 G133 H135 F136 S139 L140	Y63-Y142 HydrophobicContact CE2-CD2 4.45Å; K66-Y142 HydrophobicContact CD-CD1 4.14Å; K66-Y142 HydrophobicContact CD-CG 4.16Å; K66-Y142 HydrophobicContact CG-CG 4.29Å; I67-Y142 PolarHBondContact N-O 2.91Å; W129-Y142 PolarHBondContact NE1-O 2.88Å; D130-Y142 HydrophobicContact CB-CD1 4.15Å; D130-Y142 HydrophobicContact CB-CE1 4.14Å; D130-Y142 WeakPolarHBondContact O-CD1 3.12Å; D130-Y142 WeakPolarHBondContact OD2-CE1 3.35Å; G133-Y142 WeakPolarHBondContact CA-OH 3.12Å; H135-Y142 HydrophobicContact CB-CE2 4.47Å; H135-Y142 PolarHBondContact N-OH 2.86Å; H135-Y142 PolarHBondContact O-OH 3.4Å; F136-Y142 WeakPolarHBondContact O-CE2 3.21Å; S139-Y142 WeakPolarHBondContact O-CB 3.43Å; S139-Y142 WeakPolarHBondContact O-CD2 3.41Å; S139-Y142 PolarHBondContact O-N 2.55Å; L140-Y142 PolarHBondContact O-N 3.2Å
143	E	96.5	Very high	95.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-116	6.8	-179.7	-64.3	-177	-166	0	0	112.8	Y63 E64 G65 I67 L77 L140 H141 R145	Y63-E143 HydrophobicContact CD2-CG 4.29Å; Y63-E143 WeakPolarHBondContact CD2-OE1 3.41Å; Y63-E143 HydrophobicContact CE2-CG 4.17Å; Y63-E143 VanDerWaalsContact CE2-OE1 3.25Å; Y63-E143 WeakPolarHBondContact CE2-OE1 3.37Å; E64-E143 WeakPolarHBondContact CA-OE1 3.42Å; E64-E143 PolarHBondContact N-OE1 3.18Å; G65-E143 PolarHBondContact N-OE1 2.87Å; G65-E143 VanDerWaalsContact O-CG 3.31Å; G65-E143 WeakPolarHBondContact O-CG 3.5Å; I67-E143 HydrophobicContact CD1-CB 4.38Å; L77-E143 WeakPolarHBondContact CD2-O 3.4Å; L140-E143 PolarHBondContact O-N 2.83Å; L140-E143 VanDerWaalsContact O-N 3.15Å; H141-E143 PolarHBondContact O-N 2.77Å; E143-R145 HydrophobicContact CB-CB 4.35Å; E143-R145 HydrophobicContact CB-CG 4.07Å; E143-R145 PolarHBondContact O-N 2.78Å; E143-R145 VanDerWaalsContact OE2-CD 3.28Å; E143-R145 WeakPolarHBondContact OE2-CD 3.24Å; E143-R145 IonicContact OE2-CZ 3.48Å; E143-R145 IonicContact OE2-NE 3.95Å; E143-R145 IonicContact OE2-NH1 2.76Å; E143-R145 PolarHBondContact OE2-NH1 2.71Å
144	G	97.4	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	26.5	-174.6	0	0	0	0	0	112.7	M99 T100 H141	M99-G144 CarbonylContact C-O 3.33Å; M99-G144 VanDerWaalsContact CA-O 3.27Å; M99-G144 WeakPolarHBondContact CA-O 3.48Å; M99-G144 WeakPolarHBondContact CB-O 3.42Å; T100-G144 PolarHBondContact N-O 3.29Å; H141-G144 PolarHBondContact O-N 3Å; H141-G144 VanDerWaalsContact O-N 3.12Å
145	R	97.8	Very high	96.5	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	17%	0.17	C	C	.	.			trans	-107.1	-1.5	-178.3	-75	170.4	56.8	-165.1	-2.5	112.8	S60 R62 T100 L140 E143 S185 V186	S60-R145 PolarHBondContact O-NH2 2.66Å; R62-R145 PolarHBondContact O-NH1 2.92Å; R62-R145 PolarHBondContact O-NH2 2.94Å; T100-R145 HydrophobicContact CG2-CG 3.61Å; L140-R145 HydrophobicContact CB-CB 4.21Å; L140-R145 PolarHBondContact O-N 3.41Å; L140-R145 VanDerWaalsContact O-N 3.16Å; E143-R145 HydrophobicContact CB-CB 4.35Å; E143-R145 HydrophobicContact CB-CG 4.07Å; E143-R145 PolarHBondContact O-N 2.78Å; E143-R145 VanDerWaalsContact OE2-CD 3.28Å; E143-R145 WeakPolarHBondContact OE2-CD 3.24Å; E143-R145 IonicContact OE2-CZ 3.48Å; E143-R145 IonicContact OE2-NE 3.95Å; E143-R145 IonicContact OE2-NH1 2.76Å; E143-R145 PolarHBondContact OE2-NH1 2.71Å; R145-S185 CarbonylContact O-C 3.54Å; R145-S185 WeakPolarHBondContact O-CA 3.4Å; R145-S185 WeakPolarHBondContact O-CB 3.44Å; R145-V186 HydrophobicContact CB-CG2 4.18Å; R145-V186 HydrophobicContact CG-CG2 4.38Å; R145-V186 PolarHBondContact NE-O 3.43Å; R145-V186 PolarHBondContact NH2-O 2.78Å; R145-V186 WeakPolarHBondContact O-CG2 3.44Å; R145-V186 PolarHBondContact O-N 3.45Å
146	A	98.5	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.4	177.1	0	0	0	0	0	111	L140 C184	L140-A146 HydrophobicContact CB-CB 3.94Å; L140-A146 PolarHBondContact O-N 3.33Å; A146-C184 CarbonylContact C-O 3.52Å; A146-C184 VanDerWaalsContact CA-O 3.26Å; A146-C184 WeakPolarHBondContact CA-O 3.21Å
147	V	98.8	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.9	176.5	-70	0	0	0	0	109.4	L107 V125 E127 I149 F171 C184	L107-V147 HydrophobicContact CD1-CG2 4.08Å; V125-V147 HydrophobicContact CG1-CB 4.48Å; V125-V147 HydrophobicContact CG1-CG1 4.44Å; E127-V147 CarbonylContact O-C 3.52Å; E127-V147 VanDerWaalsContact O-CA 3.27Å; E127-V147 WeakPolarHBondContact O-CA 3.26Å; V147-I149 HydrophobicContact CB-CG2 4.12Å; V147-I149 HydrophobicContact CG2-CG2 3.83Å; V147-F171 HydrophobicContact CG2-CE1 4.01Å; V147-F171 HydrophobicContact CG2-CZ 4.18Å; V147-C184 HydrophobicContact CG2-CB 3.98Å; V147-C184 PolarHBondContact N-O 3.45Å; V147-C184 PolarHBondContact O-N 3.16Å
148	D	98.7	Very high	97.8	Very high	9 Å²	9	34 Å²	34	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.6	165.9	-69	-24.7	0	0	0	109	V125 T126 E127 H141 H181 I182 H183	V125-D148 WeakPolarHBondContact CA-O 3.39Å; T126-D148 PolarHBondContact N-O 3.47Å; T126-D148 WeakPolarHBondContact OG1-CB 3.3Å; T126-D148 PolarHBondContact OG1-O 3.45Å; E127-D148 HydrophobicContact CB-CB 3.87Å; E127-D148 PolarHBondContact O-N 2.92Å; H141-D148 IonicContact CE1-OD1 3.16Å; H141-D148 IonicContact CE1-OD2 3.87Å; H141-D148 IonicContact NE2-OD1 3.47Å; H141-D148 IonicContact NE2-OD2 3.99Å; D148-H181 HydrophobicContact CB-CB 4.14Å; D148-H181 WeakPolarHBondContact CB-CD2 3.5Å; D148-H181 IonicContact OD1-CD2 3.65Å; D148-H181 PolarHBondContact OD1-CD2 2.84Å; D148-H181 VanDerWaalsContact OD1-CD2 3.25Å; D148-H181 IonicContact OD1-NE2 3.05Å; D148-H181 PolarHBondContact OD1-NE2 3.19Å; D148-H181 IonicContact OD2-CD2 3.12Å; D148-H181 PolarHBondContact OD2-CD2 3.19Å; D148-H181 IonicContact OD2-CE1 3.95Å; D148-H181 IonicContact OD2-NE2 3.71Å; D148-H181 PolarHBondContact OD2-NE2 3.24Å; D148-H181 VanDerWaalsContact OD2-NE2 3.08Å; D148-I182 CarbonylContact C-O 3.58Å; D148-I182 WeakPolarHBondContact CA-O 3.24Å; D148-H183 WeakPolarHBondContact OD1-CA 3.14Å; D148-H183 WeakPolarHBondContact OD1-CB 3.47Å; D148-H183 IonicContact OD1-CG 2.77Å; D148-H183 IonicContact OD1-ND1 3.6Å; D148-H183 PolarHBondContact OD1-ND1 3.48Å; D148-H183 VanDerWaalsContact OD1-ND1 3.12Å
149	I	98.8	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.6	-169.6	64.5	169.1	0	0	0	113.1	L107 L110 L123 R124 V125 V147 L162 A166 H181 I182 C184	L107-I149 HydrophobicContact CD1-CG2 4.15Å; L110-I149 HydrophobicContact CD2-CD1 3.38Å; L123-I149 HydrophobicContact CD1-CB 4.04Å; L123-I149 HydrophobicContact CD1-CD1 4.07Å; L123-I149 HydrophobicContact CD1-CG2 4.33Å; R124-I149 CarbonylContact O-C 3.5Å; R124-I149 WeakPolarHBondContact O-CA 3.35Å; V125-I149 HydrophobicContact CG2-CG2 4.23Å; V147-I149 HydrophobicContact CB-CG2 4.12Å; V147-I149 HydrophobicContact CG2-CG2 3.83Å; I149-L162 HydrophobicContact CD1-CD1 4.22Å; I149-L162 HydrophobicContact CD1-CD2 4.23Å; I149-L162 HydrophobicContact CD1-CG 4.09Å; I149-L162 HydrophobicContact CG1-CD2 4.2Å; I149-A166 HydrophobicContact CD1-CB 4.4Å; I149-H181 WeakPolarHBondContact O-CA 3.49Å; I149-I182 HydrophobicContact CD1-CB 4.47Å; I149-I182 HydrophobicContact CG1-CB 3.86Å; I149-I182 HydrophobicContact CG1-CG2 4.47Å; I149-I182 WeakPolarHBondContact CG1-O 3.45Å; I149-I182 PolarHBondContact N-O 3.26Å; I149-I182 PolarHBondContact O-N 3.35Å; I149-C184 VanDerWaalsContact CD1-SG 3.57Å
150	T	98.8	Very high	98.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	171.2	177.9	57.6	0	0	0	0	109.5	R124 T126 Y159 A180 H181	R124-T150 WeakPolarHBondContact CB-OG1 3.1Å; R124-T150 WeakPolarHBondContact CG-OG1 3.28Å; R124-T150 PolarHBondContact N-O 3.11Å; R124-T150 PolarHBondContact NH1-OG1 2.88Å; R124-T150 PolarHBondContact O-N 3.23Å; R124-T150 PolarHBondContact O-OG1 2.77Å; T126-T150 HydrophobicContact CG2-CG2 4.06Å; T150-Y159 WeakPolarHBondContact CB-OH 3.49Å; T150-Y159 HydrophobicContact CG2-CE1 4.47Å; T150-Y159 HydrophobicContact CG2-CE2 4.23Å; T150-Y159 WeakPolarHBondContact CG2-OH 3.22Å; T150-A180 WeakPolarHBondContact CG2-O 3.1Å; T150-H181 HydrophobicContact CG2-CB 4.08Å
151	T	98.8	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	151	162.1	54.9	0	0	0	0	110.3	W118 V121 D153 R154 D155 K158 L162	W118-T151 HydrophobicContact CE3-CG2 4.32Å; W118-T151 HydrophobicContact CZ3-CG2 4.05Å; V121-T151 HydrophobicContact CG1-CG2 4.11Å; T151-D153 WeakPolarHBondContact CB-OD1 3.45Å; T151-D153 PolarHBondContact O-N 3.37Å; T151-D153 PolarHBondContact OG1-OD1 3.34Å; T151-R154 WeakPolarHBondContact O-CA 3.21Å; T151-R154 PolarHBondContact O-N 2.8Å; T151-D155 PolarHBondContact OG1-N 3.02Å; T151-K158 HydrophobicContact CG2-CB 4Å; T151-K158 HydrophobicContact CG2-CD 4.1Å; T151-L162 HydrophobicContact CG2-CD2 4.26Å
152	S	98.5	Very high	98.1	Very high	35 Å²	35	31.3 Å²	31.3	25%	0.245	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.1	-178.9	60.6	0	0	0	0	113.9	I86 K122 R154	I86-S152 VanDerWaalsContact CD1-CB 3.49Å; K122-S152 PolarHBondContact N-OG 2.83Å; K122-S152 WeakPolarHBondContact O-CB 3.13Å; K122-S152 PolarHBondContact O-N 3.35Å; K122-S152 PolarHBondContact O-OG 2.76Å; S152-R154 VanDerWaalsContact C-N 3.26Å
153	D	98.3	Very high	98.2	Very high	71 Å²	71	30.6 Å²	30.6	38%	0.38	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.8	176.1	65.7	-3.5	0	0	0	113.4	T151 D155 K158	T151-D153 WeakPolarHBondContact CB-OD1 3.45Å; T151-D153 PolarHBondContact O-N 3.37Å; T151-D153 PolarHBondContact OG1-OD1 3.34Å; D153-D155 PolarHBondContact O-N 2.72Å; D153-D155 PolarHBondContact OD1-N 2.73Å; D153-K158 WeakPolarHBondContact OD2-CE 3.21Å; D153-K158 IonicContact OD2-NZ 2.75Å; D153-K158 PolarHBondContact OD2-NZ 2.84Å
154	R	98.1	Very high	98.2	Very high	169 Å²	169	32.1 Å²	32.1	64%	0.638	16%	0.162	S	C	*	.			trans	56.9	26.5	179.8	-54.3	172.7	67.8	-175	3.2	113.7	T151 S152 K156	T151-R154 WeakPolarHBondContact O-CA 3.21Å; T151-R154 PolarHBondContact O-N 2.8Å; S152-R154 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.33Å
155	D	98.2	Very high	98.2	Very high	56 Å²	56	32.6 Å²	32.6	30%	0.299	17%	0.165	S	C	.	.			trans	-76.1	103.7	175.9	179.9	1.3	0	0	0	111.3	T151 D153 S157 K158 Y159	T151-D155 PolarHBondContact OG1-N 3.02Å; D153-D155 PolarHBondContact O-N 2.72Å; D153-D155 PolarHBondContact OD1-N 2.73Å; D155-S157 PolarHBondContact O-N 3.19Å; D155-S157 VanDerWaalsContact O-N 3.15Å; D155-S157 VanDerWaalsContact OD1-CB 3.3Å; D155-S157 WeakPolarHBondContact OD1-CB 3.32Å; D155-S157 PolarHBondContact OD1-N 3.29Å; D155-S157 PolarHBondContact OD1-OG 3.02Å; D155-S157 PolarHBondContact OD2-OG 3.41Å; D155-S157 VanDerWaalsContact OD2-OG 3.04Å; D155-K158 HydrophobicContact CB-CD 4.15Å; D155-K158 HydrophobicContact CB-CG 4.15Å; D155-K158 WeakPolarHBondContact O-CB 3.12Å; D155-K158 PolarHBondContact O-N 2.96Å; D155-K158 IonicContact OD2-NZ 3.68Å; D155-K158 PolarHBondContact OD2-NZ 3.38Å; D155-Y159 WeakPolarHBondContact O-CD1 3.48Å; D155-Y159 WeakPolarHBondContact O-CE1 3.44Å
156	K	97.6	Very high	98.1	Very high	124 Å²	124	32.4 Å²	32.4	54%	0.539	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-61.3	-23	-178.6	-61.6	177.5	179.1	179.3	0	113.6	R154 K158 Y159 K179	R154-K156 PolarHBondContact O-N 3.33Å; K156-K158 PolarHBondContact O-N 3.07Å; K156-Y159 HydrophobicContact CB-CD2 4.44Å; K156-Y159 HydrophobicContact CB-CE2 4.4Å; K156-Y159 HydrophobicContact CG-CD2 4.46Å; K156-Y159 HydrophobicContact CG-CE2 3.98Å; K156-Y159 WeakPolarHBondContact O-CB 3.31Å; K156-Y159 PolarHBondContact O-N 3.31Å; K156-K179 VanDerWaalsContact CD-O 3.3Å; K156-K179 WeakPolarHBondContact CD-O 3.25Å; K156-K179 WeakPolarHBondContact CE-O 3.29Å
157	S	97.4	Very high	97.8	Very high	93 Å²	93	33.9 Å²	33.9	65%	0.65	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-65.9	-23	176.2	74.5	0	0	0	0	112.1	D155	D155-S157 PolarHBondContact O-N 3.19Å; D155-S157 VanDerWaalsContact O-N 3.15Å; D155-S157 VanDerWaalsContact OD1-CB 3.3Å; D155-S157 WeakPolarHBondContact OD1-CB 3.32Å; D155-S157 PolarHBondContact OD1-N 3.29Å; D155-S157 PolarHBondContact OD1-OG 3.02Å; D155-S157 PolarHBondContact OD2-OG 3.41Å; D155-S157 VanDerWaalsContact OD2-OG 3.04Å
158	K	98.3	Very high	97.3	Very high	33 Å²	33	36.7 Å²	36.7	14%	0.143	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-80.4	-16.6	178.1	-61.8	-174.5	175	83.3	0	113.6	W118 T151 D153 D155 K156 G160 T161 L162	W118-K158 HydrophobicContact CD2-CD 3.9Å; W118-K158 HydrophobicContact CE3-CD 4.45Å; W118-K158 HydrophobicContact CG-CD 4.14Å; W118-K158 HydrophobicContact CH2-CB 3.95Å; W118-K158 HydrophobicContact CZ2-CB 3.7Å; W118-K158 HydrophobicContact CZ2-CD 4.18Å; W118-K158 HydrophobicContact CZ2-CG 3.97Å; T151-K158 HydrophobicContact CG2-CB 4Å; T151-K158 HydrophobicContact CG2-CD 4.1Å; D153-K158 WeakPolarHBondContact OD2-CE 3.21Å; D153-K158 IonicContact OD2-NZ 2.75Å; D153-K158 PolarHBondContact OD2-NZ 2.84Å; D155-K158 HydrophobicContact CB-CD 4.15Å; D155-K158 HydrophobicContact CB-CG 4.15Å; D155-K158 WeakPolarHBondContact O-CB 3.12Å; D155-K158 PolarHBondContact O-N 2.96Å; D155-K158 IonicContact OD2-NZ 3.68Å; D155-K158 PolarHBondContact OD2-NZ 3.38Å; K156-K158 PolarHBondContact O-N 3.07Å; K158-G160 PolarHBondContact O-N 3.43Å; K158-T161 CarbonylContact O-C 3.53Å; K158-T161 PolarHBondContact O-N 2.71Å; K158-L162 PolarHBondContact O-N 2.94Å
159	Y	98.4	Very high	96.6	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-35	-166.2	-73.6	9.5	0	0	0	113.7	T150 D155 K156 T161 L162 S163 Y176 A180	T150-Y159 WeakPolarHBondContact CB-OH 3.49Å; T150-Y159 HydrophobicContact CG2-CE1 4.47Å; T150-Y159 HydrophobicContact CG2-CE2 4.23Å; T150-Y159 WeakPolarHBondContact CG2-OH 3.22Å; D155-Y159 WeakPolarHBondContact O-CD1 3.48Å; D155-Y159 WeakPolarHBondContact O-CE1 3.44Å; K156-Y159 HydrophobicContact CB-CD2 4.44Å; K156-Y159 HydrophobicContact CB-CE2 4.4Å; K156-Y159 HydrophobicContact CG-CD2 4.46Å; K156-Y159 HydrophobicContact CG-CE2 3.98Å; K156-Y159 WeakPolarHBondContact O-CB 3.31Å; K156-Y159 PolarHBondContact O-N 3.31Å; Y159-T161 VanDerWaalsContact C-N 3.32Å; Y159-T161 PolarHBondContact O-N 3.29Å; Y159-L162 HydrophobicContact CD1-CD2 4.4Å; Y159-L162 PolarHBondContact O-N 3.34Å; Y159-S163 PolarHBondContact O-N 2.91Å; Y159-S163 PolarHBondContact O-OG 3.25Å; Y159-Y176 WeakPolarHBondContact CB-OH 3.34Å; Y159-Y176 HydrophobicContact CD2-CE1 4.31Å; Y159-A180 WeakPolarHBondContact CE2-O 3.44Å
160	G	97.9	Very high	95.9	Very high	9 Å²	9	37.9 Å²	37.9	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-40.7	171.9	0	0	0	0	0	111.9	P42 L43 K158 S163 R164	P42-G160 CarbonylContact C-O 3.59Å; P42-G160 VanDerWaalsContact CA-O 3.24Å; P42-G160 WeakPolarHBondContact CA-O 3.36Å; P42-G160 VanDerWaalsContact CB-C 3.48Å; L43-G160 PolarHBondContact N-O 2.92Å; L43-G160 WeakPolarHBondContact O-CA 3.37Å; K158-G160 PolarHBondContact O-N 3.43Å; G160-S163 PolarHBondContact O-OG 2.8Å; G160-R164 PolarHBondContact O-N 2.97Å
161	T	98.1	Very high	95.7	Very high	35 Å²	35	38.3 Å²	38.3	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-71.9	-39.2	174.9	-56	0	0	0	0	111.5	Q117 W118 K158 Y159 S163 R164 L165	Q117-T161 HydrophobicContact CG-CG2 4.29Å; W118-T161 HydrophobicContact CH2-CG2 3.84Å; W118-T161 HydrophobicContact CZ2-CG2 3.66Å; K158-T161 CarbonylContact O-C 3.53Å; K158-T161 PolarHBondContact O-N 2.71Å; Y159-T161 VanDerWaalsContact C-N 3.32Å; Y159-T161 PolarHBondContact O-N 3.29Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 2.82Å; T161-R164 WeakPolarHBondContact O-CB 3.43Å; T161-R164 PolarHBondContact O-N 2.81Å; T161-L165 WeakPolarHBondContact O-CG 3.34Å; T161-L165 PolarHBondContact O-N 3.35Å
162	L	98.6	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-46.2	176.4	176	62.9	0	0	0	111.2	L110 V114 W118 L123 I149 T151 K158 Y159 R164 L165 A166 I182	L110-L162 HydrophobicContact CD1-CD1 4.44Å; V114-L162 HydrophobicContact CG2-CD1 3.51Å; W118-L162 HydrophobicContact CH2-CB 4.26Å; L123-L162 HydrophobicContact CD1-CD1 4.06Å; I149-L162 HydrophobicContact CD1-CD1 4.22Å; I149-L162 HydrophobicContact CD1-CD2 4.23Å; I149-L162 HydrophobicContact CD1-CG 4.09Å; I149-L162 HydrophobicContact CG1-CD2 4.2Å; T151-L162 HydrophobicContact CG2-CD2 4.26Å; K158-L162 PolarHBondContact O-N 2.94Å; Y159-L162 HydrophobicContact CD1-CD2 4.4Å; Y159-L162 PolarHBondContact O-N 3.34Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.44Å; L162-L165 WeakPolarHBondContact O-CB 3.37Å; L162-L165 PolarHBondContact O-N 2.8Å; L162-L165 VanDerWaalsContact O-N 3.16Å; L162-A166 PolarHBondContact O-N 2.85Å; L162-I182 HydrophobicContact CD2-CG1 4.22Å; L162-I182 HydrophobicContact CG-CG1 4.44Å
163	S	98.2	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-35.1	175.6	64.3	0	0	0	0	112.8	L43 Y159 G160 T161 A166 V167	L43-S163 VanDerWaalsContact CB-OG 3.31Å; L43-S163 WeakPolarHBondContact CB-OG 3.46Å; Y159-S163 PolarHBondContact O-N 2.91Å; Y159-S163 PolarHBondContact O-OG 3.25Å; G160-S163 PolarHBondContact O-OG 2.8Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 2.82Å; S163-A166 PolarHBondContact O-N 2.87Å; S163-V167 WeakPolarHBondContact O-CG2 2.89Å; S163-V167 PolarHBondContact O-N 2.79Å; S163-V167 VanDerWaalsContact O-N 3.09Å
164	R	97.6	Very high	95.3	Very high	31 Å²	31	35 Å²	35	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-43	172.9	172.5	55.1	63.8	-169.6	-2.5	110.9	L40 T41 L43 I49 G160 T161 L162 A166 V167 E168	L40-R164 HydrophobicContact CB-CG 3.88Å; L40-R164 HydrophobicContact CD2-CG 3.91Å; L40-R164 HydrophobicContact CG-CG 4.47Å; T41-R164 PolarHBondContact O-NE 2.82Å; T41-R164 PolarHBondContact O-NH2 3.06Å; T41-R164 PolarHBondContact OG1-NH2 3.35Å; L43-R164 HydrophobicContact CD1-CB 4.02Å; I49-R164 VanDerWaalsContact CD1-NH2 3.31Å; G160-R164 PolarHBondContact O-N 2.97Å; T161-R164 WeakPolarHBondContact O-CB 3.43Å; T161-R164 PolarHBondContact O-N 2.81Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.44Å; R164-A166 VanDerWaalsContact C-N 3.25Å; R164-A166 PolarHBondContact O-N 3.28Å; R164-V167 WeakPolarHBondContact O-CB 3.25Å; R164-V167 PolarHBondContact O-N 3.44Å; R164-E168 IonicContact NH1-OE1 3.35Å; R164-E168 WeakPolarHBondContact O-CG 3.28Å; R164-E168 PolarHBondContact O-N 3.18Å
165	L	96.1	Very high	95.4	Very high	10 Å²	10	29 Å²	29	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-38.1	174.6	-65	177.2	0	0	0	111.4	L40 L110 V114 Q117 W118 T161 L162 V167 E168 A169	L40-L165 HydrophobicContact CD1-CD2 3.96Å; L110-L165 VanDerWaalsContact CD1-C 3.49Å; L110-L165 HydrophobicContact CD1-CB 3.57Å; V114-L165 HydrophobicContact CG2-CD1 4.28Å; Q117-L165 HydrophobicContact CB-CD1 3.79Å; Q117-L165 HydrophobicContact CG-CD1 3.99Å; W118-L165 HydrophobicContact CH2-CD1 4.08Å; W118-L165 HydrophobicContact CZ3-CD1 3.82Å; T161-L165 WeakPolarHBondContact O-CG 3.34Å; T161-L165 PolarHBondContact O-N 3.35Å; L162-L165 WeakPolarHBondContact O-CB 3.37Å; L162-L165 PolarHBondContact O-N 2.8Å; L162-L165 VanDerWaalsContact O-N 3.16Å; L165-V167 VanDerWaalsContact C-N 3.35Å; L165-V167 PolarHBondContact O-N 3.46Å; L165-E168 PolarHBondContact O-N 2.74Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.44Å; L165-A169 PolarHBondContact O-N 2.75Å
166	A	96.6	Very high	95.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-40	175.7	0	0	0	0	0	112.2	L110 I149 L162 S163 R164 A169 G170 F171 V174	L110-A166 HydrophobicContact CD1-CB 4.32Å; L110-A166 HydrophobicContact CD2-CB 3.81Å; I149-A166 HydrophobicContact CD1-CB 4.4Å; L162-A166 PolarHBondContact O-N 2.85Å; S163-A166 PolarHBondContact O-N 2.87Å; R164-A166 VanDerWaalsContact C-N 3.25Å; R164-A166 PolarHBondContact O-N 3.28Å; A166-A169 PolarHBondContact O-N 3.13Å; A166-G170 PolarHBondContact O-N 2.84Å; A166-F171 HydrophobicContact CB-CD2 4.02Å; A166-F171 WeakPolarHBondContact O-CD2 3.41Å; A166-F171 PolarHBondContact O-N 3.05Å; A166-V174 HydrophobicContact CB-CG1 4.07Å; A166-V174 HydrophobicContact CB-CG2 3.82Å
167	V	93.2	Very high	95.3	Very high	30 Å²	30	24.1 Å²	24.1	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-46.3	173.1	172.4	0	0	0	0	110.9	L43 I49 S163 R164 L165 A169 G170 V174	L43-V167 HydrophobicContact CD1-CG2 4.44Å; I49-V167 HydrophobicContact CB-CG2 3.9Å; I49-V167 HydrophobicContact CD1-CG2 4.41Å; I49-V167 HydrophobicContact CG2-CG1 3.97Å; I49-V167 HydrophobicContact CG2-CG2 3.99Å; S163-V167 WeakPolarHBondContact O-CG2 2.89Å; S163-V167 PolarHBondContact O-N 2.79Å; S163-V167 VanDerWaalsContact O-N 3.09Å; R164-V167 WeakPolarHBondContact O-CB 3.25Å; R164-V167 PolarHBondContact O-N 3.44Å; L165-V167 VanDerWaalsContact C-N 3.35Å; L165-V167 PolarHBondContact O-N 3.46Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.21Å; V167-G170 PolarHBondContact O-N 3Å; V167-G170 VanDerWaalsContact O-N 3.11Å; V167-V174 HydrophobicContact CG2-CB 3.77Å; V167-V174 HydrophobicContact CG2-CG1 4.29Å; V167-V174 HydrophobicContact CG2-CG2 3.77Å
168	E	86.5	Confident	95.2	Very high	59 Å²	59	20.9 Å²	20.9	28%	0.276	11%	0.111	S	C	.	.	H	α-helix	trans	-70.8	-29	179.9	-60.3	-60	141.5	0	0	112.8	K38 L40 R164 L165 G170	K38-E168 IonicContact NZ-OE1 3.59Å; K38-E168 PolarHBondContact NZ-OE1 2.97Å; K38-E168 IonicContact NZ-OE2 2.73Å; K38-E168 PolarHBondContact NZ-OE2 2.65Å; L40-E168 HydrophobicContact CD2-CG 3.73Å; R164-E168 IonicContact NH1-OE1 3.35Å; R164-E168 WeakPolarHBondContact O-CG 3.28Å; R164-E168 PolarHBondContact O-N 3.18Å; L165-E168 PolarHBondContact O-N 2.74Å; E168-G170 PolarHBondContact O-N 2.73Å
169	A	85.1	Confident	95.1	Very high	8 Å²	8	25.9 Å²	25.9	7%	0.066	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.9	171.9	0	0	0	0	0	112.4	K106 L110 L165 A166 V167	K106-A169 WeakPolarHBondContact CD-O 3.31Å; L110-A169 HydrophobicContact CB-CB 3.82Å; L110-A169 HydrophobicContact CD1-CB 4.3Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.44Å; L165-A169 PolarHBondContact O-N 2.75Å; A166-A169 PolarHBondContact O-N 3.13Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.21Å
170	G	83.4	Confident	95	Very high	26 Å²	26	28.3 Å²	28.3	27%	0.268	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	27.1	172.1	0	0	0	0	0	114.6	K106 A166 V167 E168	K106-G170 WeakPolarHBondContact CD-O 3.19Å; K106-G170 VanDerWaalsContact CE-O 3.23Å; K106-G170 WeakPolarHBondContact CE-O 3.48Å; A166-G170 PolarHBondContact O-N 2.84Å; V167-G170 PolarHBondContact O-N 3Å; V167-G170 VanDerWaalsContact O-N 3.11Å; E168-G170 PolarHBondContact O-N 2.73Å
171	F	94.4	Very high	95	Very high	12 Å²	12	29.3 Å²	29.3	5%	0.053	16%	0.156	C	C	.	.			trans	-60.3	139.6	162.7	-81	-86.4	0	0	0	109.9	K106 L107 L110 V147 A166 W173 V174 C184 V186	K106-F171 HydrophobicContact CB-CD1 4.21Å; K106-F171 HydrophobicContact CB-CD2 3.96Å; K106-F171 HydrophobicContact CB-CE1 4.07Å; K106-F171 HydrophobicContact CB-CE2 3.8Å; K106-F171 HydrophobicContact CB-CG 4.17Å; K106-F171 HydrophobicContact CB-CZ 3.87Å; L107-F171 HydrophobicContact CB-CZ 4.17Å; L107-F171 HydrophobicContact CD1-CZ 4.02Å; L110-F171 HydrophobicContact CB-CE2 4.2Å; L110-F171 HydrophobicContact CD2-CE2 3.84Å; V147-F171 HydrophobicContact CG2-CE1 4.01Å; V147-F171 HydrophobicContact CG2-CZ 4.18Å; A166-F171 HydrophobicContact CB-CD2 4.02Å; A166-F171 WeakPolarHBondContact O-CD2 3.41Å; A166-F171 PolarHBondContact O-N 3.05Å; F171-W173 VanDerWaalsContact C-N 3.32Å; F171-V174 HydrophobicContact CB-CG2 3.63Å; F171-C184 HydrophobicContact CB-CB 4.43Å; F171-C184 HydrophobicContact CD1-CB 3.51Å; F171-C184 HydrophobicContact CD2-CB 4.28Å; F171-C184 HydrophobicContact CE1-CB 3.69Å; F171-C184 HydrophobicContact CE2-CB 4.44Å; F171-C184 HydrophobicContact CG-CB 3.82Å; F171-C184 HydrophobicContact CZ-CB 4.15Å; F171-V186 HydrophobicContact CD1-CG1 3.73Å; F171-V186 HydrophobicContact CE1-CG1 4.1Å
172	D	92.1	Very high	95	Very high	20 Å²	20	27.6 Å²	27.6	11%	0.107	15%	0.146	C	C	.	.	S	Bend	trans	-76	-25.2	-174.2	-63.7	-70	0	0	0	112.1	P50 A59 R102 S185 V186 K187	P50-D172 WeakPolarHBondContact CD-O 3.45Å; A59-D172 WeakPolarHBondContact CA-O 3.02Å; R102-D172 IonicContact CZ-OD1 3.9Å; R102-D172 IonicContact CZ-OD2 3.25Å; R102-D172 IonicContact NE-OD1 3.74Å; R102-D172 IonicContact NE-OD2 3.45Å; R102-D172 PolarHBondContact NE-OD2 3.12Å; R102-D172 IonicContact NH2-OD1 3.54Å; R102-D172 PolarHBondContact NH2-OD1 3.19Å; R102-D172 IonicContact NH2-OD2 3.91Å; R102-D172 PolarHBondContact NH2-OD2 3.18Å; D172-S185 PolarHBondContact N-O 2.83Å; D172-V186 VanDerWaalsContact OD2-CA 3.25Å; D172-V186 WeakPolarHBondContact OD2-CA 3.36Å; D172-K187 HydrophobicContact CB-CG 3.98Å; D172-K187 WeakPolarHBondContact OD1-CE 3.47Å; D172-K187 PolarHBondContact OD2-N 2.63Å
173	W	97.8	Very high	95	Very high	16 Å²	16	28 Å²	28	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	133.7	170.8	-163.1	77.2	0	0	0	110.5	F48 I49 V52 E54 A59 S60 F171 Y175 H183 C184 S185	F48-W173 HydrophobicContact CB-CH2 4.19Å; F48-W173 HydrophobicContact CB-CZ2 3.45Å; F48-W173 VanDerWaalsContact CB-CZ2 3.45Å; F48-W173 HydrophobicContact CD1-CZ2 4.23Å; F48-W173 AromaticContact CD2-CZ2 3.88Å; F48-W173 HydrophobicContact CD2-CZ2 3.88Å; F48-W173 AromaticContact CD2-NE1 3.67Å; F48-W173 AromaticContact CG-CZ2 3.59Å; F48-W173 HydrophobicContact CG-CZ2 3.59Å; I49-W173 WeakPolarHBondContact O-CA 3.33Å; V52-W173 PolarHBondContact O-NE1 2.69Å; E54-W173 HydrophobicContact CB-CD2 3.67Å; E54-W173 HydrophobicContact CB-CE3 3.71Å; E54-W173 HydrophobicContact CB-CG 4.21Å; E54-W173 HydrophobicContact CB-CH2 4.04Å; E54-W173 HydrophobicContact CB-CZ2 4.03Å; E54-W173 HydrophobicContact CB-CZ3 3.87Å; E54-W173 HydrophobicContact CG-CB 4.41Å; E54-W173 HydrophobicContact CG-CD2 3.83Å; E54-W173 HydrophobicContact CG-CE3 3.58Å; E54-W173 HydrophobicContact CG-CG 4.21Å; E54-W173 HydrophobicContact CG-CZ3 4.03Å; A59-W173 HydrophobicContact CB-CB 4.06Å; A59-W173 VanDerWaalsContact CB-CD1 3.46Å; A59-W173 HydrophobicContact CB-CG 4.01Å; S60-W173 VanDerWaalsContact OG-CB 3.24Å; S60-W173 WeakPolarHBondContact OG-CB 3.42Å; F171-W173 VanDerWaalsContact C-N 3.32Å; W173-Y175 AromaticContact CH2-CD1 3.52Å; W173-Y175 HydrophobicContact CH2-CD1 3.52Å; W173-Y175 HydrophobicContact CH2-CD2 4.39Å; W173-Y175 HydrophobicContact CH2-CE1 4.38Å; W173-Y175 AromaticContact CH2-CG 3.53Å; W173-Y175 HydrophobicContact CH2-CG 3.53Å; W173-Y175 HydrophobicContact CZ2-CG 4.28Å; W173-Y175 AromaticContact CZ3-CD1 3.83Å; W173-Y175 HydrophobicContact CZ3-CD1 3.83Å; W173-Y175 AromaticContact CZ3-CG 3.89Å; W173-Y175 HydrophobicContact CZ3-CG 3.89Å; W173-H183 AromaticContact CE3-CD2 3.78Å; W173-H183 AromaticContact CZ3-CD2 3.58Å; W173-C184 WeakPolarHBondContact O-CA 3.29Å; W173-S185 PolarHBondContact N-O 3.05Å; W173-S185 VanDerWaalsContact N-O 3.17Å; W173-S185 PolarHBondContact O-N 3.25Å
174	V	98.6	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.9	178.2	179.6	0	0	0	0	108.8	L43 F48 I49 A166 V167 F171 I182 H183	L43-V174 HydrophobicContact CD2-CG1 4.37Å; F48-V174 CarbonylContact C-O 3.53Å; F48-V174 WeakPolarHBondContact CA-O 3.22Å; F48-V174 WeakPolarHBondContact CB-O 3.42Å; I49-V174 PolarHBondContact N-O 2.79Å; I49-V174 PolarHBondContact O-N 3.26Å; A166-V174 HydrophobicContact CB-CG1 4.07Å; A166-V174 HydrophobicContact CB-CG2 3.82Å; V167-V174 HydrophobicContact CG2-CB 3.77Å; V167-V174 HydrophobicContact CG2-CG1 4.29Å; V167-V174 HydrophobicContact CG2-CG2 3.77Å; F171-V174 HydrophobicContact CB-CG2 3.63Å; V174-I182 HydrophobicContact CG1-CG2 3.72Å; V174-H183 WeakPolarHBondContact CA-O 3.16Å
175	Y	98.6	Very high	95.1	Very high	44 Å²	44	26.5 Å²	26.5	17%	0.173	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.1	-177.6	174	-143.8	0	0	0	111	K46 F48 W173 E177 H183	K46-Y175 HydrophobicContact CD-CE2 4.16Å; K46-Y175 VanDerWaalsContact CD-OH 3.3Å; K46-Y175 WeakPolarHBondContact CD-OH 3.43Å; K46-Y175 PolarHBondContact NZ-OH 3.12Å; F48-Y175 HydrophobicContact CB-CD2 3.83Å; F48-Y175 HydrophobicContact CB-CG 4.16Å; F48-Y175 HydrophobicContact CD1-CD2 4.01Å; F48-Y175 HydrophobicContact CD1-CE2 4.19Å; F48-Y175 HydrophobicContact CG-CD2 4.41Å; W173-Y175 AromaticContact CH2-CD1 3.52Å; W173-Y175 HydrophobicContact CH2-CD1 3.52Å; W173-Y175 HydrophobicContact CH2-CD2 4.39Å; W173-Y175 HydrophobicContact CH2-CE1 4.38Å; W173-Y175 AromaticContact CH2-CG 3.53Å; W173-Y175 HydrophobicContact CH2-CG 3.53Å; W173-Y175 HydrophobicContact CZ2-CG 4.28Å; W173-Y175 AromaticContact CZ3-CD1 3.83Å; W173-Y175 HydrophobicContact CZ3-CD1 3.83Å; W173-Y175 AromaticContact CZ3-CG 3.89Å; W173-Y175 HydrophobicContact CZ3-CG 3.89Å; Y175-E177 HydrophobicContact CD1-CB 3.48Å; Y175-E177 VanDerWaalsContact CD1-CB 3.48Å; Y175-E177 HydrophobicContact CD1-CG 3.94Å; Y175-E177 VanDerWaalsContact CE1-CA 3.5Å; Y175-E177 HydrophobicContact CE1-CB 3.52Å; Y175-E177 HydrophobicContact CE1-CG 3.54Å; Y175-E177 HydrophobicContact CG-CB 4.13Å; Y175-E177 PolarHBondContact O-N 2.88Å; Y175-H183 HydrophobicContact CD1-CB 4.48Å; Y175-H183 PolarHBondContact N-O 3.17Å; Y175-H183 PolarHBondContact O-N 3.27Å
176	Y	98.3	Very high	95	Very high	25 Å²	25	26 Å²	26	10%	0.098	14%	0.139	C	C	.	.			trans	-76.5	73.3	168.4	-163.1	-7.1	0	0	0	109.7	A44 Y45 K46 Q47 Y159 S178 I182	A44-Y176 WeakPolarHBondContact O-CB 3.39Å; A44-Y176 WeakPolarHBondContact O-CD2 3.43Å; Y45-Y176 HydrophobicContact CD2-CD1 4.21Å; Y45-Y176 HydrophobicContact CD2-CE1 4.34Å; Y45-Y176 HydrophobicContact CD2-CG 4.45Å; K46-Y176 WeakPolarHBondContact CA-O 3.5Å; K46-Y176 PolarHBondContact N-O 3.06Å; Q47-Y176 PolarHBondContact O-N 3.42Å; Y159-Y176 WeakPolarHBondContact CB-OH 3.34Å; Y159-Y176 HydrophobicContact CD2-CE1 4.31Å; Y176-S178 VanDerWaalsContact CD1-O 3.31Å; Y176-S178 WeakPolarHBondContact CD1-O 3.46Å; Y176-S178 WeakPolarHBondContact CE1-O 3.31Å; Y176-I182 HydrophobicContact CD1-CD1 3.13Å; Y176-I182 HydrophobicContact CD2-CD1 4.15Å; Y176-I182 HydrophobicContact CE1-CD1 3.49Å; Y176-I182 VanDerWaalsContact CE1-CD1 3.49Å; Y176-I182 HydrophobicContact CE2-CD1 4.47Å; Y176-I182 HydrophobicContact CG-CD1 3.51Å
177	E	95.7	Very high	94.6	Very high	51 Å²	51	27 Å²	27	24%	0.238	14%	0.143	C	C	.	.			trans	-65.2	-50.1	-168.7	179.2	172	-139.9	0	0	113	K46 Y175 H181 H183	K46-E177 VanDerWaalsContact CE-O 3.31Å; K46-E177 WeakPolarHBondContact CE-O 3.16Å; K46-E177 PolarHBondContact NZ-O 2.76Å; Y175-E177 HydrophobicContact CD1-CB 3.48Å; Y175-E177 VanDerWaalsContact CD1-CB 3.48Å; Y175-E177 HydrophobicContact CD1-CG 3.94Å; Y175-E177 VanDerWaalsContact CE1-CA 3.5Å; Y175-E177 HydrophobicContact CE1-CB 3.52Å; Y175-E177 HydrophobicContact CE1-CG 3.54Å; Y175-E177 HydrophobicContact CG-CB 4.13Å; Y175-E177 PolarHBondContact O-N 2.88Å; E177-H181 IonicContact OE2-CD2 3.7Å; E177-H181 IonicContact OE2-CE1 3.4Å; E177-H181 IonicContact OE2-NE2 3.08Å; E177-H181 PolarHBondContact OE2-NE2 2.79Å; E177-H183 HydrophobicContact CB-CB 4.01Å
178	S	96.4	Very high	94	Very high	26 Å²	26	25.6 Å²	25.6	18%	0.182	14%	0.136	C	C	.	.			trans	-135.4	166.8	-171.1	92.8	0	0	0	0	110.2	Y176 A180 H181	Y176-S178 VanDerWaalsContact CD1-O 3.31Å; Y176-S178 WeakPolarHBondContact CD1-O 3.46Å; Y176-S178 WeakPolarHBondContact CE1-O 3.31Å; S178-A180 PolarHBondContact O-N 2.77Å; S178-A180 WeakPolarHBondContact OG-CA 3.3Å; S178-A180 WeakPolarHBondContact OG-CB 3.45Å; S178-A180 PolarHBondContact OG-N 3.19Å; S178-H181 VanDerWaalsContact O-O 3.06Å; S178-H181 PolarHBondContact OG-CE1 3.37Å; S178-H181 PolarHBondContact OG-N 2.75Å; S178-H181 VanDerWaalsContact OG-N 3.14Å; S178-H181 PolarHBondContact OG-ND1 2.87Å
179	K	95.4	Very high	93	Very high	137 Å²	137	24.3 Å²	24.3	60%	0.596	13%	0.129	S	C	*	.	S	Bend	trans	-73.9	-3.1	170.9	-66.2	-174.7	179.8	178.6	0	112.5	Y45 K156	Y45-K179 HydrophobicContact CD2-CG 4.42Å; Y45-K179 HydrophobicContact CE2-CG 4.05Å; K156-K179 VanDerWaalsContact CD-O 3.3Å; K156-K179 WeakPolarHBondContact CD-O 3.25Å; K156-K179 WeakPolarHBondContact CE-O 3.29Å
180	A	96.4	Very high	91.5	Very high	55 Å²	55	27.3 Å²	27.3	46%	0.455	14%	0.144	S	C	.	.	S	Bend	trans	-102.7	-24.1	-176	0	0	0	0	0	112.7	T150 Y159 S178	T150-A180 WeakPolarHBondContact CG2-O 3.1Å; Y159-A180 WeakPolarHBondContact CE2-O 3.44Å; S178-A180 PolarHBondContact O-N 2.77Å; S178-A180 WeakPolarHBondContact OG-CA 3.3Å; S178-A180 WeakPolarHBondContact OG-CB 3.45Å; S178-A180 PolarHBondContact OG-N 3.19Å
181	H	98.3	Very high	89.8	Confident	30 Å²	30	27.2 Å²	27.2	14%	0.139	14%	0.14	C	C	.	.			trans	-161.8	165.9	-176.3	64.6	-88.3	0	0	0	112.7	D148 I149 T150 E177 S178	D148-H181 HydrophobicContact CB-CB 4.14Å; D148-H181 WeakPolarHBondContact CB-CD2 3.5Å; D148-H181 IonicContact OD1-CD2 3.65Å; D148-H181 PolarHBondContact OD1-CD2 2.84Å; D148-H181 VanDerWaalsContact OD1-CD2 3.25Å; D148-H181 IonicContact OD1-NE2 3.05Å; D148-H181 PolarHBondContact OD1-NE2 3.19Å; D148-H181 IonicContact OD2-CD2 3.12Å; D148-H181 PolarHBondContact OD2-CD2 3.19Å; D148-H181 IonicContact OD2-CE1 3.95Å; D148-H181 IonicContact OD2-NE2 3.71Å; D148-H181 PolarHBondContact OD2-NE2 3.24Å; D148-H181 VanDerWaalsContact OD2-NE2 3.08Å; I149-H181 WeakPolarHBondContact O-CA 3.49Å; T150-H181 HydrophobicContact CG2-CB 4.08Å; E177-H181 IonicContact OE2-CD2 3.7Å; E177-H181 IonicContact OE2-CE1 3.4Å; E177-H181 IonicContact OE2-NE2 3.08Å; E177-H181 PolarHBondContact OE2-NE2 2.79Å; S178-H181 VanDerWaalsContact O-O 3.06Å; S178-H181 PolarHBondContact OG-CE1 3.37Å; S178-H181 PolarHBondContact OG-N 2.75Å; S178-H181 VanDerWaalsContact OG-N 3.14Å; S178-H181 PolarHBondContact OG-ND1 2.87Å
182	I	98.6	Very high	87.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.9	167.9	-52.7	-54.7	0	0	0	108	D148 I149 L162 V174 Y176	D148-I182 CarbonylContact C-O 3.58Å; D148-I182 WeakPolarHBondContact CA-O 3.24Å; I149-I182 HydrophobicContact CD1-CB 4.47Å; I149-I182 HydrophobicContact CG1-CB 3.86Å; I149-I182 HydrophobicContact CG1-CG2 4.47Å; I149-I182 WeakPolarHBondContact CG1-O 3.45Å; I149-I182 PolarHBondContact N-O 3.26Å; I149-I182 PolarHBondContact O-N 3.35Å; L162-I182 HydrophobicContact CD2-CG1 4.22Å; L162-I182 HydrophobicContact CG-CG1 4.44Å; V174-I182 HydrophobicContact CG1-CG2 3.72Å; Y176-I182 HydrophobicContact CD1-CD1 3.13Å; Y176-I182 HydrophobicContact CD2-CD1 4.15Å; Y176-I182 HydrophobicContact CE1-CD1 3.49Å; Y176-I182 VanDerWaalsContact CE1-CD1 3.49Å; Y176-I182 HydrophobicContact CE2-CD1 4.47Å; Y176-I182 HydrophobicContact CG-CD1 3.51Å
183	H	98.8	Very high	84.7	Confident	7 Å²	7	27.5 Å²	27.5	3%	0.032	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.7	172.7	179	90.1	0	0	0	109.7	E54 H141 D148 W173 V174 Y175 E177	E54-H183 IonicContact OE1-CE1 3.33Å; E54-H183 IonicContact OE1-NE2 2.71Å; E54-H183 PolarHBondContact OE1-NE2 3.4Å; H141-H183 AromaticContact CD2-CE1 3.65Å; H141-H183 AromaticContact NE2-CE1 3.19Å; H141-H183 PolarHBondContact NE2-CE1 3.32Å; H141-H183 AromaticContact NE2-ND1 3.18Å; H141-H183 PolarHBondContact NE2-ND1 2.89Å; H141-H183 VanDerWaalsContact NE2-ND1 3.18Å; D148-H183 WeakPolarHBondContact OD1-CA 3.14Å; D148-H183 WeakPolarHBondContact OD1-CB 3.47Å; D148-H183 IonicContact OD1-CG 2.77Å; D148-H183 IonicContact OD1-ND1 3.6Å; D148-H183 PolarHBondContact OD1-ND1 3.48Å; D148-H183 VanDerWaalsContact OD1-ND1 3.12Å; W173-H183 AromaticContact CE3-CD2 3.78Å; W173-H183 AromaticContact CZ3-CD2 3.58Å; V174-H183 WeakPolarHBondContact CA-O 3.16Å; Y175-H183 HydrophobicContact CD1-CB 4.48Å; Y175-H183 PolarHBondContact N-O 3.17Å; Y175-H183 PolarHBondContact O-N 3.27Å; E177-H183 HydrophobicContact CB-CB 4.01Å
184	C	98.7	Very high	81.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.4	177	-57.8	0	0	0	0	109.5	A146 V147 I149 F171 W173	A146-C184 CarbonylContact C-O 3.52Å; A146-C184 VanDerWaalsContact CA-O 3.26Å; A146-C184 WeakPolarHBondContact CA-O 3.21Å; V147-C184 HydrophobicContact CG2-CB 3.98Å; V147-C184 PolarHBondContact N-O 3.45Å; V147-C184 PolarHBondContact O-N 3.16Å; I149-C184 VanDerWaalsContact CD1-SG 3.57Å; F171-C184 HydrophobicContact CB-CB 4.43Å; F171-C184 HydrophobicContact CD1-CB 3.51Å; F171-C184 HydrophobicContact CD2-CB 4.28Å; F171-C184 HydrophobicContact CE1-CB 3.69Å; F171-C184 HydrophobicContact CE2-CB 4.44Å; F171-C184 HydrophobicContact CG-CB 3.82Å; F171-C184 HydrophobicContact CZ-CB 4.15Å; W173-C184 WeakPolarHBondContact O-CA 3.29Å
185	S	98.4	Very high	79.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.8	177.9	63.8	0	0	0	0	113.4	E54 S60 R145 D172 W173	E54-S185 WeakPolarHBondContact CG-OG 3.32Å; E54-S185 VanDerWaalsContact OE1-CB 3.24Å; E54-S185 WeakPolarHBondContact OE1-CB 3.49Å; E54-S185 PolarHBondContact OE1-OG 3.47Å; S60-S185 WeakPolarHBondContact CB-OG 3.35Å; S60-S185 VanDerWaalsContact OG-C 3.24Å; S60-S185 WeakPolarHBondContact OG-CB 3.23Å; S60-S185 PolarHBondContact OG-O 3.39Å; S60-S185 PolarHBondContact OG-OG 2.76Å; R145-S185 CarbonylContact O-C 3.54Å; R145-S185 WeakPolarHBondContact O-CA 3.4Å; R145-S185 WeakPolarHBondContact O-CB 3.44Å; D172-S185 PolarHBondContact N-O 2.83Å; W173-S185 PolarHBondContact N-O 3.05Å; W173-S185 VanDerWaalsContact N-O 3.17Å; W173-S185 PolarHBondContact O-N 3.25Å
186	V	94.2	Very high	76.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.			trans	-126.5	158.9	-177.8	-60.4	0	0	0	0	111.8	R102 C103 K106 R145 F171 D172	R102-V186 HydrophobicContact CB-CG2 4.44Å; R102-V186 HydrophobicContact CG-CB 4.07Å; R102-V186 HydrophobicContact CG-CG1 4.28Å; R102-V186 HydrophobicContact CG-CG2 4.36Å; C103-V186 HydrophobicContact CB-CG1 4.47Å; C103-V186 HydrophobicContact CB-CG2 3.69Å; K106-V186 HydrophobicContact CB-CG1 4.47Å; K106-V186 HydrophobicContact CG-CG1 4.09Å; R145-V186 HydrophobicContact CB-CG2 4.18Å; R145-V186 HydrophobicContact CG-CG2 4.38Å; R145-V186 PolarHBondContact NE-O 3.43Å; R145-V186 PolarHBondContact NH2-O 2.78Å; R145-V186 WeakPolarHBondContact O-CG2 3.44Å; R145-V186 PolarHBondContact O-N 3.45Å; F171-V186 HydrophobicContact CD1-CG1 3.73Å; F171-V186 HydrophobicContact CE1-CG1 4.1Å; D172-V186 VanDerWaalsContact OD2-CA 3.25Å; D172-V186 WeakPolarHBondContact OD2-CA 3.36Å
187	K	87.1	Confident	75	Confident	20 Å²	20	28.4 Å²	28.4	9%	0.087	15%	0.154	C	C	.	.			trans	-64.4	151.1	167.6	-59.8	168.1	-177.3	-62.1	0	111.6	L57 A59 S60 D172 S191 A193 L404	L57-K187 PolarHBondContact O-NZ 3Å; A59-K187 VanDerWaalsContact O-CE 3.24Å; A59-K187 WeakPolarHBondContact O-CE 3.26Å; A59-K187 WeakPolarHBondContact O-CG 3.5Å; A59-K187 PolarHBondContact O-NZ 2.75Å; S60-K187 WeakPolarHBondContact O-CA 3.47Å; D172-K187 HydrophobicContact CB-CG 3.98Å; D172-K187 WeakPolarHBondContact OD1-CE 3.47Å; D172-K187 PolarHBondContact OD2-N 2.63Å; K187-S191 WeakPolarHBondContact CB-OG 3.46Å; K187-A193 HydrophobicContact CD-CB 3.99Å; K187-L404 HydrophobicContact CD-CD2 3.73Å
188	A	80.4	Confident	73.9	Confident	2 Å²	2	26.2 Å²	26.2	2%	0.017	15%	0.145	C	C	.	.			trans	-61.2	152.6	175.3	0	0	0	0	0	111.3	E64 N190 S191	E64-A188 HydrophobicContact CG-CB 4.45Å; E64-A188 WeakPolarHBondContact OE1-CB 3.43Å; A188-N190 PolarHBondContact O-N 3.46Å; A188-S191 WeakPolarHBondContact O-CA 3.36Å; A188-S191 WeakPolarHBondContact O-CB 3.19Å; A188-S191 PolarHBondContact O-N 2.87Å; A188-S191 PolarHBondContact O-OG 2.89Å
189	E	65.7	Low	73.6	Confident	31 Å²	31	25 Å²	25	15%	0.145	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.7	171.8	-66.5	-57.5	150.9	0	0	112.1	T100 Q101 R102 S191 K195	T100-E189 WeakPolarHBondContact CB-OE1 3.14Å; T100-E189 HydrophobicContact CG2-CG 4.39Å; Q101-E189 PolarHBondContact N-OE1 3.49Å; R102-E189 VanDerWaalsContact CB-OE1 3.29Å; R102-E189 WeakPolarHBondContact CB-OE1 3.37Å; R102-E189 PolarHBondContact N-OE1 3.48Å; E189-S191 VanDerWaalsContact C-N 3.32Å; E189-K195 WeakPolarHBondContact O-CD 3.24Å; E189-K195 WeakPolarHBondContact O-CE 3.5Å
190	N	55.3	Low	73.5	Confident	72 Å²	72	18.5 Å²	18.5	39%	0.385	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.1	177.4	-59.8	-29.7	0	0	0	112.3	A188 V192 K195	A188-N190 PolarHBondContact O-N 3.46Å; N190-V192 PolarHBondContact O-N 3.36Å; N190-K195 PolarHBondContact OD1-NZ 2.88Å
191	S	45.8	Very low	73.5	Confident	24 Å²	24	15.9 Å²	15.9	17%	0.168	9%	0.087	C	C	.	.	S	Bend	trans	-60.7	111.2	163.6	80.4	0	0	0	0	106.2	K187 A188 E189 A193 A194	K187-S191 WeakPolarHBondContact CB-OG 3.46Å; A188-S191 WeakPolarHBondContact O-CA 3.36Å; A188-S191 WeakPolarHBondContact O-CB 3.19Å; A188-S191 PolarHBondContact O-N 2.87Å; A188-S191 PolarHBondContact O-OG 2.89Å; E189-S191 VanDerWaalsContact C-N 3.32Å; S191-A193 CarbonylContact O-C 3.52Å; S191-A193 PolarHBondContact O-N 3.22Å; S191-A194 PolarHBondContact O-N 2.88Å
192	V	42	Very low	73.2	Confident	19 Å²	19	14.6 Å²	14.6	12%	0.115	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-20	-170.9	176.4	0	0	0	0	111.3	N190 A194 S196 R251 T252	N190-V192 PolarHBondContact O-N 3.36Å; V192-A194 PolarHBondContact O-N 3.42Å; V192-S196 WeakPolarHBondContact CG1-OG 3.47Å; V192-S196 VanDerWaalsContact O-CB 3.25Å; V192-S196 WeakPolarHBondContact O-CB 3.25Å; V192-S196 PolarHBondContact O-N 3.02Å; V192-S196 PolarHBondContact O-OG 2.83Å; V192-R251 HydrophobicContact CG1-CB 3.56Å; V192-R251 HydrophobicContact CG1-CG 3.92Å; V192-T252 WeakPolarHBondContact CG1-O 3.39Å; V192-T252 VanDerWaalsContact CG2-N 3.32Å
193	A	38.8	Very low	73.1	Confident	19 Å²	19	18.2 Å²	18.2	16%	0.157	10%	0.104	C	C	.	.	H	α-helix	trans	-36.7	-67.5	158.1	0	0	0	0	0	112.3	K187 S191 K195 S196 L404	K187-A193 HydrophobicContact CD-CB 3.99Å; S191-A193 CarbonylContact O-C 3.52Å; S191-A193 PolarHBondContact O-N 3.22Å; A193-K195 PolarHBondContact O-N 3.34Å; A193-S196 PolarHBondContact O-N 2.96Å; A193-L404 HydrophobicContact CB-CB 4.47Å; A193-L404 HydrophobicContact CB-CD1 3.44Å; A193-L404 VanDerWaalsContact CB-CD1 3.44Å; A193-L404 HydrophobicContact CB-CD2 3.91Å; A193-L404 HydrophobicContact CB-CG 4.13Å; A193-L404 WeakPolarHBondContact O-CB 3.34Å; A193-L404 VanDerWaalsContact O-O 3.04Å
194	A	38.2	Very low	73	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.9	-31.4	-165.4	0	0	0	0	0	115.1	S191 V192 L404 S407	S191-A194 PolarHBondContact O-N 2.88Å; V192-A194 PolarHBondContact O-N 3.42Å; A194-L404 CarbonylContact C-O 3.51Å; A194-S407 VanDerWaalsContact CB-OG 3.22Å; A194-S407 WeakPolarHBondContact CB-OG 3.35Å; A194-S407 WeakPolarHBondContact O-CB 3.08Å; A194-S407 PolarHBondContact O-OG 3.28Å
195	K	43.9	Very low	73	Confident	93 Å²	93	20 Å²	20	40%	0.404	12%	0.115	S	C	.	.	H	α-helix	trans	-89.8	0.9	-179.1	-72.4	175.8	178.1	169.4	0	114.6	E189 N190 A193 G197	E189-K195 WeakPolarHBondContact O-CD 3.24Å; E189-K195 WeakPolarHBondContact O-CE 3.5Å; N190-K195 PolarHBondContact OD1-NZ 2.88Å; A193-K195 PolarHBondContact O-N 3.34Å; K195-G197 PolarHBondContact O-N 3.19Å
196	S	47.5	Very low	72.9	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	12%	0.116	C	C	.	.			trans	-97	98.4	-171.6	-69.1	0	0	0	0	112.4	V192 A193 A269	V192-S196 WeakPolarHBondContact CG1-OG 3.47Å; V192-S196 VanDerWaalsContact O-CB 3.25Å; V192-S196 WeakPolarHBondContact O-CB 3.25Å; V192-S196 PolarHBondContact O-N 3.02Å; V192-S196 PolarHBondContact O-OG 2.83Å; A193-S196 PolarHBondContact O-N 2.96Å; S196-A269 VanDerWaalsContact O-CB 3.26Å; S196-A269 WeakPolarHBondContact O-CB 3.5Å
197	G	60.3	Low	73.1	Confident	10 Å²	10	21.2 Å²	21.2	10%	0.103	12%	0.123	C	C	.	.			trans	-51	154.7	139	0	0	0	0	0	109.7	K195 C199 T267	K195-G197 PolarHBondContact O-N 3.19Å; G197-C199 PolarHBondContact O-N 3.02Å; G197-C199 PolarHBondContact O-SG 3.39Å; G197-C199 VanDerWaalsContact O-SG 3.41Å; G197-T267 PolarHBondContact O-OG1 2.94Å
198	G	71.3	Confident	73.6	Confident	5 Å²	5	20.9 Å²	20.9	5%	0.052	12%	0.122	C	C	.	.	S	Bend	trans	-68.2	119.7	-177.7	0	0	0	0	0	111.7	T267 H270 A323	G198-T267 VanDerWaalsContact CA-OG1 3.29Å; G198-T267 WeakPolarHBondContact CA-OG1 3.4Å; G198-H270 VanDerWaalsContact CA-CB 3.47Å; G198-H270 PolarHBondContact O-ND1 3.48Å; G198-A323 WeakPolarHBondContact O-CB 3.43Å
199	C	89.7	Confident	74.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.			trans	-139.9	162.7	-177	-60.6	0	0	0	0	112	G197 L266 T267 H270 F322	G197-C199 PolarHBondContact O-N 3.02Å; G197-C199 PolarHBondContact O-SG 3.39Å; G197-C199 VanDerWaalsContact O-SG 3.41Å; C199-L266 WeakPolarHBondContact O-CA 3.27Å; C199-T267 HydrophobicContact CB-CG2 4.09Å; C199-T267 PolarHBondContact N-OG1 3.31Å; C199-T267 PolarHBondContact O-N 2.82Å; C199-H270 PolarHBondContact N-ND1 3.3Å; C199-H270 VanDerWaalsContact N-ND1 3.11Å; C199-F322 WeakPolarHBondContact CA-O 3.33Å
200	F	94.5	Very high	75.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-109.2	154.2	168.1	-57.1	-74	0	0	0	110.6	F253 I264 T265 L266 H270 S321 F322 P324 V331 V333 A338	F200-F253 VanDerWaalsContact C-CE1 3.47Å; F200-I264 HydrophobicContact CE1-CD1 3.93Å; F200-I264 HydrophobicContact CE1-CG1 4.33Å; F200-T265 WeakPolarHBondContact CD1-O 3.33Å; F200-L266 HydrophobicContact CD1-CB 3.99Å; F200-L266 HydrophobicContact CE1-CB 3.97Å; F200-H270 AromaticContact CD2-CE1 3.84Å; F200-H270 AromaticContact CE1-CE1 3.86Å; F200-H270 AromaticContact CE1-NE2 3.74Å; F200-H270 AromaticContact CE2-CE1 3.13Å; F200-H270 WeakPolarHBondContact CE2-CE1 3.45Å; F200-H270 AromaticContact CE2-NE2 3.5Å; F200-H270 WeakPolarHBondContact CE2-NE2 3.48Å; F200-H270 AromaticContact CZ-CD2 3.9Å; F200-H270 AromaticContact CZ-CE1 3.15Å; F200-H270 WeakPolarHBondContact CZ-CE1 3.35Å; F200-H270 AromaticContact CZ-ND1 4Å; F200-H270 AromaticContact CZ-NE2 3.03Å; F200-H270 WeakPolarHBondContact CZ-NE2 3.42Å; F200-S321 WeakPolarHBondContact O-CA 3.36Å; F200-F322 PolarHBondContact N-O 3.16Å; F200-F322 PolarHBondContact O-N 3.36Å; F200-P324 HydrophobicContact CD2-CG 3.97Å; F200-P324 HydrophobicContact CE2-CG 4.1Å; F200-V331 HydrophobicContact CE2-CG1 4.16Å; F200-V331 HydrophobicContact CZ-CG1 4.37Å; F200-V333 HydrophobicContact CD1-CB 4.24Å; F200-V333 HydrophobicContact CD1-CG1 3.89Å; F200-V333 HydrophobicContact CD1-CG2 4.28Å; F200-V333 HydrophobicContact CD2-CG2 4.08Å; F200-V333 HydrophobicContact CE1-CB 4.05Å; F200-V333 HydrophobicContact CE1-CG1 4.21Å; F200-V333 HydrophobicContact CE1-CG2 4.02Å; F200-V333 HydrophobicContact CE2-CG2 3.77Å; F200-V333 HydrophobicContact CG-CG1 4.18Å; F200-V333 HydrophobicContact CG-CG2 4.31Å; F200-V333 HydrophobicContact CZ-CB 4.24Å; F200-V333 HydrophobicContact CZ-CG2 3.73Å; F200-A338 HydrophobicContact CE1-CB 4.23Å; F200-A338 HydrophobicContact CZ-CB 3.75Å
201	P	95	Very high	77.3	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.174	C	C	.	.			trans	-69	152	170.7	32	-34.9	0	0	0	110	T203 S204 F253 T265 H318	P201-T203 PolarHBondContact O-N 3.37Å; P201-T203 VanDerWaalsContact O-N 3.12Å; P201-S204 WeakPolarHBondContact CG-OG 3.42Å; P201-S204 WeakPolarHBondContact O-CB 3.5Å; P201-S204 PolarHBondContact O-N 2.8Å; P201-S204 VanDerWaalsContact O-N 3.12Å; P201-F253 HydrophobicContact CB-CE1 4.2Å; P201-F253 HydrophobicContact CB-CE2 4.19Å; P201-F253 HydrophobicContact CB-CZ 4Å; P201-F253 HydrophobicContact CG-CD1 4.47Å; P201-F253 HydrophobicContact CG-CE1 4.45Å; P201-F253 VanDerWaalsContact N-CE1 3.33Å; P201-T265 WeakPolarHBondContact CD-O 3.34Å; P201-T265 HydrophobicContact CG-CG2 3.78Å; P201-H318 HydrophobicContact CB-CB 3.72Å
202	G	93.6	Very high	79.7	Confident	3 Å²	3	31.1 Å²	31.1	3%	0.031	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.6	-176.7	0	0	0	0	0	114.9	R217 F322	G202-R217 WeakPolarHBondContact O-CG 3.37Å; G202-R217 PolarHBondContact O-N 2.99Å; G202-R217 PolarHBondContact O-NE 3.44Å; G202-F322 VanDerWaalsContact CA-CD2 3.43Å; G202-F322 VanDerWaalsContact CA-CE2 3.41Å
203	T	95.5	Very high	82.3	Confident	76 Å²	76	36 Å²	36	47%	0.466	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.8	177.6	46.9	0	0	0	0	114.1	P201 R217	P201-T203 PolarHBondContact O-N 3.37Å; P201-T203 VanDerWaalsContact O-N 3.12Å; T203-R217 VanDerWaalsContact CG2-NH2 3.25Å
204	S	97.3	Very high	85.1	Confident	4 Å²	4	37.3 Å²	37.3	3%	0.028	21%	0.209	C	C	.	.			trans	-59.2	154.4	173.2	-82.3	0	0	0	0	110.5	P201 P215 V216 D334	P201-S204 WeakPolarHBondContact CG-OG 3.42Å; P201-S204 WeakPolarHBondContact O-CB 3.5Å; P201-S204 PolarHBondContact O-N 2.8Å; P201-S204 VanDerWaalsContact O-N 3.12Å; S204-P215 CarbonylContact O-C 3.53Å; S204-P215 WeakPolarHBondContact O-CA 3.32Å; S204-V216 WeakPolarHBondContact O-CG2 3.11Å; S204-V216 PolarHBondContact O-N 3.1Å; S204-D334 VanDerWaalsContact CB-OD2 3.22Å; S204-D334 WeakPolarHBondContact CB-OD2 3.45Å; S204-D334 PolarHBondContact OG-OD2 2.98Å
205	T	97.9	Very high	88	Confident	41 Å²	41	39.3 Å²	39.3	25%	0.252	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.4	-171.2	58.7	0	0	0	0	112.4	K214 V333 D334	T205-K214 WeakPolarHBondContact CA-O 3.47Å; T205-V333 WeakPolarHBondContact O-CA 3.36Å; T205-D334 PolarHBondContact N-OD1 3.31Å; T205-D334 PolarHBondContact O-N 3.37Å; T205-D334 PolarHBondContact OG1-OD1 2.87Å
206	V	97.8	Very high	90.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	155.7	167.4	-61.8	0	0	0	0	110.1	L208 K213 K214 V216 L219 V225 V331 V333	V206-L208 HydrophobicContact CG2-CD2 4.46Å; V206-K213 CarbonylContact O-C 3.53Å; V206-K213 VanDerWaalsContact O-CA 3.3Å; V206-K213 WeakPolarHBondContact O-CA 3.37Å; V206-K214 HydrophobicContact CG2-CB 4.45Å; V206-K214 PolarHBondContact N-O 3.23Å; V206-K214 PolarHBondContact O-N 3Å; V206-V216 HydrophobicContact CG1-CG2 4.03Å; V206-L219 HydrophobicContact CG1-CD1 4.45Å; V206-L219 HydrophobicContact CG2-CD1 4.1Å; V206-L219 HydrophobicContact CG2-CD2 3.67Å; V206-L219 HydrophobicContact CG2-CG 4.2Å; V206-V225 HydrophobicContact CB-CG1 4.4Å; V206-V225 HydrophobicContact CG2-CG1 3.86Å; V206-V331 HydrophobicContact CG1-CG2 4.06Å; V206-V333 HydrophobicContact CG1-CG2 3.99Å
207	T	97.1	Very high	92.7	Very high	24 Å²	24	40.3 Å²	40.3	15%	0.147	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.2	175.1	-54.5	0	0	0	0	109.4	V225 L226	T207-V225 CarbonylContact O-C 3.6Å; T207-V225 WeakPolarHBondContact O-CA 3.22Å; T207-L226 PolarHBondContact O-N 3.44Å
208	L	97	Very high	94.4	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-88.4	164.5	177.8	-61.5	-173.3	0	0	0	111.6	V206 D210 G211 T212 K214 L219 D223 R224 V225 F236	V206-L208 HydrophobicContact CG2-CD2 4.46Å; L208-D210 WeakPolarHBondContact CB-OD1 2.87Å; L208-D210 PolarHBondContact O-N 3.15Å; L208-G211 WeakPolarHBondContact O-CA 3.42Å; L208-G211 PolarHBondContact O-N 3.16Å; L208-T212 PolarHBondContact N-O 3.37Å; L208-K214 HydrophobicContact CD1-CB 4.01Å; L208-K214 HydrophobicContact CD1-CD 4.12Å; L208-K214 HydrophobicContact CD2-CB 4.36Å; L208-K214 HydrophobicContact CG-CB 4.11Å; L208-L219 HydrophobicContact CD2-CD2 4.44Å; L208-D223 HydrophobicContact CD2-CB 4.15Å; L208-R224 CarbonylContact C-O 3.47Å; L208-R224 WeakPolarHBondContact CA-O 3.38Å; L208-V225 HydrophobicContact CD2-CG1 3.85Å; L208-F236 VanDerWaalsContact O-CE1 3.24Å; L208-F236 WeakPolarHBondContact O-CE1 3.49Å
209	Q	95.7	Very high	95.6	Very high	104 Å²	104	43.5 Å²	43.5	49%	0.486	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.9	179.6	-172.3	-179.3	0.3	0	0	113.6	G211 R224 F236	Q209-G211 PolarHBondContact O-N 3.27Å; Q209-R224 HydrophobicContact CB-CB 4Å; Q209-R224 VanDerWaalsContact CD-NH1 3.35Å; Q209-R224 PolarHBondContact N-O 3.41Å; Q209-R224 VanDerWaalsContact OE1-CD 3.29Å; Q209-F236 VanDerWaalsContact CA-CD1 3.46Å; Q209-F236 VanDerWaalsContact CA-CE1 3.41Å; Q209-F236 HydrophobicContact CB-CB 4.23Å; Q209-F236 HydrophobicContact CB-CD1 3.85Å; Q209-F236 HydrophobicContact CB-CD2 4.34Å; Q209-F236 HydrophobicContact CB-CE1 4.3Å; Q209-F236 HydrophobicContact CB-CG 3.88Å; Q209-F236 HydrophobicContact CG-CB 4.2Å; Q209-F236 HydrophobicContact CG-CD1 4.38Å; Q209-F236 HydrophobicContact CG-CD2 3.99Å; Q209-F236 HydrophobicContact CG-CE2 4.47Å; Q209-F236 HydrophobicContact CG-CG 3.93Å
210	D	93.1	Very high	95.6	Very high	116 Å²	116	49.5 Å²	49.5	62%	0.62	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	2	175.1	65.4	6	0	0	0	113.5	L208 T212	L208-D210 WeakPolarHBondContact CB-OD1 2.87Å; L208-D210 PolarHBondContact O-N 3.15Å; D210-T212 VanDerWaalsContact C-N 3.28Å; D210-T212 PolarHBondContact O-N 3.21Å; D210-T212 VanDerWaalsContact OD1-CB 3.3Å; D210-T212 WeakPolarHBondContact OD1-CB 3.48Å; D210-T212 WeakPolarHBondContact OD1-CG2 3.4Å; D210-T212 PolarHBondContact OD1-N 3.27Å; D210-T212 PolarHBondContact OD1-OG1 3.12Å; D210-T212 PolarHBondContact OD2-OG1 3.11Å
211	G	92.1	Very high	95.2	Very high	53 Å²	53	52.2 Å²	52.2	55%	0.546	28%	0.282	S	S	.	.	S	Bend	trans	83.8	-6.1	-178.7	0	0	0	0	0	114.4	L208 Q209	L208-G211 WeakPolarHBondContact O-CA 3.42Å; L208-G211 PolarHBondContact O-N 3.16Å; Q209-G211 PolarHBondContact O-N 3.27Å
212	T	95.5	Very high	94.7	Very high	71 Å²	71	53.4 Å²	53.4	44%	0.436	30%	0.295	S	S	.	.			trans	-73.4	156.4	177.3	67.3	0	0	0	0	111.4	L208 D210	L208-T212 PolarHBondContact N-O 3.37Å; D210-T212 VanDerWaalsContact C-N 3.28Å; D210-T212 PolarHBondContact O-N 3.21Å; D210-T212 VanDerWaalsContact OD1-CB 3.3Å; D210-T212 WeakPolarHBondContact OD1-CB 3.48Å; D210-T212 WeakPolarHBondContact OD1-CG2 3.4Å; D210-T212 PolarHBondContact OD1-N 3.27Å; D210-T212 PolarHBondContact OD1-OG1 3.12Å; D210-T212 PolarHBondContact OD2-OG1 3.11Å
213	K	96.8	Very high	94.8	Very high	121 Å²	121	54.6 Å²	54.6	53%	0.526	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.8	172.6	-67.2	-173.6	179.8	-176.7	0	109.9	V206	V206-K213 CarbonylContact O-C 3.53Å; V206-K213 VanDerWaalsContact O-CA 3.3Å; V206-K213 WeakPolarHBondContact O-CA 3.37Å
214	K	97.6	Very high	94.9	Very high	48 Å²	48	55.6 Å²	55.6	21%	0.209	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.9	178.4	-177.3	177	-85.2	178.3	0	110.3	T205 V206 L208 D218 L219 D223	T205-K214 WeakPolarHBondContact CA-O 3.47Å; V206-K214 HydrophobicContact CG2-CB 4.45Å; V206-K214 PolarHBondContact N-O 3.23Å; V206-K214 PolarHBondContact O-N 3Å; L208-K214 HydrophobicContact CD1-CB 4.01Å; L208-K214 HydrophobicContact CD1-CD 4.12Å; L208-K214 HydrophobicContact CD2-CB 4.36Å; L208-K214 HydrophobicContact CG-CB 4.11Å; K214-D218 HydrophobicContact CD-CB 4.47Å; K214-D218 HydrophobicContact CG-CB 4.14Å; K214-L219 HydrophobicContact CD-CD2 4.05Å; K214-D223 WeakPolarHBondContact CD-OD2 3.46Å; K214-D223 IonicContact NZ-OD1 3.26Å; K214-D223 PolarHBondContact NZ-OD1 3.02Å; K214-D223 IonicContact NZ-OD2 2.66Å; K214-D223 PolarHBondContact NZ-OD2 2.98Å
215	P	97.9	Very high	94.9	Very high	42 Å²	42	55.4 Å²	55.4	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	142.3	172	-22.3	34.2	0	0	0	111.3	S204 R217 D218	S204-P215 CarbonylContact O-C 3.53Å; S204-P215 WeakPolarHBondContact O-CA 3.32Å; P215-R217 HydrophobicContact CB-CG 4.23Å; P215-R217 PolarHBondContact O-N 2.98Å; P215-D218 WeakPolarHBondContact CB-OD2 3.21Å; P215-D218 WeakPolarHBondContact CG-OD2 3.39Å; P215-D218 PolarHBondContact O-N 2.94Å
216	V	96.8	Very high	94.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.3	-41	-178.8	170.9	0	0	0	0	110.4	S204 V206 D218 L219 F242 F322 P324 V333	S204-V216 WeakPolarHBondContact O-CG2 3.11Å; S204-V216 PolarHBondContact O-N 3.1Å; V206-V216 HydrophobicContact CG1-CG2 4.03Å; V216-D218 PolarHBondContact O-N 3.06Å; V216-D218 VanDerWaalsContact O-N 3.1Å; V216-L219 HydrophobicContact CG1-CD1 4.42Å; V216-L219 WeakPolarHBondContact O-CG 3.31Å; V216-L219 PolarHBondContact O-N 3.44Å; V216-F242 HydrophobicContact CG1-CE1 4.1Å; V216-F242 WeakPolarHBondContact O-CZ 3.45Å; V216-F322 HydrophobicContact CG1-CB 3.73Å; V216-F322 HydrophobicContact CG1-CG 4.48Å; V216-P324 HydrophobicContact CG1-CG 4.3Å; V216-V333 HydrophobicContact CG2-CG1 4.26Å
217	R	95.3	Very high	94.8	Very high	114 Å²	114	53.5 Å²	53.5	43%	0.43	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.1	-179.9	71.7	179.2	118	-175.9	6.2	114.9	G202 T203 P215 F322	G202-R217 WeakPolarHBondContact O-CG 3.37Å; G202-R217 PolarHBondContact O-N 2.99Å; G202-R217 PolarHBondContact O-NE 3.44Å; T203-R217 VanDerWaalsContact CG2-NH2 3.25Å; P215-R217 HydrophobicContact CB-CG 4.23Å; P215-R217 PolarHBondContact O-N 2.98Å; R217-F322 HydrophobicContact CB-CD1 4.22Å; R217-F322 HydrophobicContact CB-CD2 4.32Å; R217-F322 HydrophobicContact CB-CE1 3.71Å; R217-F322 HydrophobicContact CB-CE2 3.85Å; R217-F322 HydrophobicContact CB-CZ 3.53Å
218	D	95.7	Very high	94.7	Very high	79 Å²	79	52.4 Å²	52.4	42%	0.422	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-98.1	4.2	-173.6	-63.2	-36.5	0	0	0	112.5	K214 P215 V216	K214-D218 HydrophobicContact CD-CB 4.47Å; K214-D218 HydrophobicContact CG-CB 4.14Å; P215-D218 WeakPolarHBondContact CB-OD2 3.21Å; P215-D218 WeakPolarHBondContact CG-OD2 3.39Å; P215-D218 PolarHBondContact O-N 2.94Å; V216-D218 PolarHBondContact O-N 3.06Å; V216-D218 VanDerWaalsContact O-N 3.1Å
219	L	94.8	Very high	94.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	28%	0.282	C	S	.	.			trans	-64.6	135.2	177.4	-72	167.9	0	0	0	112	V206 L208 K214 V216 D223 V225 F239 F242 P324	V206-L219 HydrophobicContact CG1-CD1 4.45Å; V206-L219 HydrophobicContact CG2-CD1 4.1Å; V206-L219 HydrophobicContact CG2-CD2 3.67Å; V206-L219 HydrophobicContact CG2-CG 4.2Å; L208-L219 HydrophobicContact CD2-CD2 4.44Å; K214-L219 HydrophobicContact CD-CD2 4.05Å; V216-L219 HydrophobicContact CG1-CD1 4.42Å; V216-L219 WeakPolarHBondContact O-CG 3.31Å; V216-L219 PolarHBondContact O-N 3.44Å; L219-D223 HydrophobicContact CD2-CB 4.08Å; L219-V225 HydrophobicContact CD2-CG1 3.65Å; L219-F239 HydrophobicContact CB-CD1 4.17Å; L219-F239 HydrophobicContact CB-CD2 4.07Å; L219-F239 HydrophobicContact CB-CE1 4.06Å; L219-F239 HydrophobicContact CB-CE2 3.96Å; L219-F239 HydrophobicContact CB-CG 4.16Å; L219-F239 HydrophobicContact CB-CZ 3.94Å; L219-F239 HydrophobicContact CD1-CD2 4.01Å; L219-F239 HydrophobicContact CD1-CE2 4.18Å; L219-F242 HydrophobicContact CB-CE2 4.47Å; L219-F242 HydrophobicContact CB-CZ 3.89Å; L219-P324 HydrophobicContact CD1-CB 4.22Å
220	Q	91.6	Very high	93.6	Very high	126 Å²	126	51.6 Å²	51.6	59%	0.589	29%	0.29	S	S	*	.			trans	-129.4	147.9	-178.2	-64.7	179.7	17.3	0	0	110.6	G222 D223 F239	Q220-G222 PolarHBondContact O-N 2.85Å; Q220-D223 PolarHBondContact N-OD2 3.22Å; Q220-D223 WeakPolarHBondContact O-CB 3.37Å; Q220-D223 PolarHBondContact O-N 3.46Å; Q220-F239 VanDerWaalsContact C-CD1 3.49Å; Q220-F239 WeakPolarHBondContact O-CD1 3.06Å
221	P	86.1	Confident	93.1	Very high	56 Å²	56	52.9 Å²	52.9	36%	0.364	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	125.8	175.6	-25.8	36.1	0	0	0	110.6
222	G	84.2	Confident	92.7	Very high	27 Å²	27	51.1 Å²	51.1	28%	0.278	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.9	-14.4	-173.3	0	0	0	0	0	115.5	Q220 R224	Q220-G222 PolarHBondContact O-N 2.85Å; G222-R224 PolarHBondContact O-N 3.04Å
223	D	94.6	Very high	92.5	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.144	28%	0.279	C	S	.	.			trans	-63.5	132.1	164.9	-73.7	-33.4	0	0	0	109.8	L208 K214 L219 Q220 F239	L208-D223 HydrophobicContact CD2-CB 4.15Å; K214-D223 WeakPolarHBondContact CD-OD2 3.46Å; K214-D223 IonicContact NZ-OD1 3.26Å; K214-D223 PolarHBondContact NZ-OD1 3.02Å; K214-D223 IonicContact NZ-OD2 2.66Å; K214-D223 PolarHBondContact NZ-OD2 2.98Å; L219-D223 HydrophobicContact CD2-CB 4.08Å; Q220-D223 PolarHBondContact N-OD2 3.22Å; Q220-D223 WeakPolarHBondContact O-CB 3.37Å; Q220-D223 PolarHBondContact O-N 3.46Å; D223-F239 HydrophobicContact CB-CB 4.35Å; D223-F239 WeakPolarHBondContact O-CB 3.24Å; D223-F239 PolarHBondContact O-N 3.02Å
224	R	97.1	Very high	92.4	Very high	97 Å²	97	47.8 Å²	47.8	37%	0.366	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.7	172.1	-66.1	-167	66.5	-152.7	7	109.1	L208 Q209 G222 F236 T237 D238	L208-R224 CarbonylContact C-O 3.47Å; L208-R224 WeakPolarHBondContact CA-O 3.38Å; Q209-R224 HydrophobicContact CB-CB 4Å; Q209-R224 VanDerWaalsContact CD-NH1 3.35Å; Q209-R224 PolarHBondContact N-O 3.41Å; Q209-R224 VanDerWaalsContact OE1-CD 3.29Å; G222-R224 PolarHBondContact O-N 3.04Å; R224-F236 HydrophobicContact CB-CB 4.49Å; R224-F236 PolarHBondContact NH2-O 2.7Å; R224-T237 CarbonylContact C-O 3.53Å; R224-T237 VanDerWaalsContact CA-O 3.31Å; R224-T237 WeakPolarHBondContact CA-O 3.41Å; R224-D238 WeakPolarHBondContact CD-OD1 3.49Å; R224-D238 VanDerWaalsContact CG-OD1 3.25Å; R224-D238 WeakPolarHBondContact CG-OD1 3.46Å; R224-D238 IonicContact NE-OD1 2.72Å; R224-D238 PolarHBondContact NE-OD1 2.91Å
225	V	97.8	Very high	92.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.9	-172	-60.6	0	0	0	0	111.1	V206 T207 L208 L219 F236 T237 F239 T326 V331	V206-V225 HydrophobicContact CB-CG1 4.4Å; V206-V225 HydrophobicContact CG2-CG1 3.86Å; T207-V225 CarbonylContact O-C 3.6Å; T207-V225 WeakPolarHBondContact O-CA 3.22Å; L208-V225 HydrophobicContact CD2-CG1 3.85Å; L219-V225 HydrophobicContact CD2-CG1 3.65Å; V225-F236 WeakPolarHBondContact O-CA 3.42Å; V225-T237 HydrophobicContact CG2-CG2 4.21Å; V225-T237 PolarHBondContact N-O 3.27Å; V225-T237 PolarHBondContact O-N 3.22Å; V225-F239 HydrophobicContact CG1-CB 4.47Å; V225-T326 HydrophobicContact CG2-CG2 3.55Å; V225-V331 HydrophobicContact CG2-CG2 4.34Å
226	L	97.8	Very high	92.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.6	175.4	-174.1	65.4	0	0	0	111	T207 P234 F236 Y298 V332	T207-L226 PolarHBondContact O-N 3.44Å; L226-P234 HydrophobicContact CD1-CB 4.06Å; L226-F236 HydrophobicContact CB-CD1 4.27Å; L226-F236 HydrophobicContact CB-CE1 3.82Å; L226-F236 HydrophobicContact CD1-CD1 4.5Å; L226-F236 HydrophobicContact CD1-CE1 4.03Å; L226-F236 HydrophobicContact CD1-CE2 4.42Å; L226-F236 HydrophobicContact CD1-CZ 4.01Å; L226-Y298 HydrophobicContact CD1-CE2 4.25Å; L226-Y298 HydrophobicContact CD2-CD1 3.48Å; L226-Y298 VanDerWaalsContact CD2-CD1 3.48Å; L226-Y298 HydrophobicContact CD2-CD2 3.84Å; L226-Y298 HydrophobicContact CD2-CE1 3.58Å; L226-Y298 HydrophobicContact CD2-CE2 3.94Å; L226-Y298 HydrophobicContact CD2-CG 3.6Å; L226-V332 HydrophobicContact CB-CB 4.32Å; L226-V332 HydrophobicContact CD2-CB 4.14Å; L226-V332 HydrophobicContact CD2-CG1 4.17Å; L226-V332 HydrophobicContact CD2-CG2 4.25Å; L226-V332 HydrophobicContact CG-CB 4.11Å; L226-V332 HydrophobicContact CG-CG2 4.01Å; L226-V332 PolarHBondContact O-N 3.45Å
227	A	96.6	Very high	92.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-173.9	180	0	0	0	0	0	109.8	P234 I235 T237 Q328 T330	A227-P234 WeakPolarHBondContact O-CA 3.36Å; A227-I235 HydrophobicContact CB-CG1 4.33Å; A227-I235 PolarHBondContact N-O 2.7Å; A227-I235 PolarHBondContact O-N 3Å; A227-T237 HydrophobicContact CB-CG2 3.48Å; A227-T237 VanDerWaalsContact CB-CG2 3.48Å; A227-Q328 HydrophobicContact CB-CB 4.42Å; A227-T330 WeakPolarHBondContact CB-O 3.32Å
228	A	93.8	Very high	92.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.5	171.9	0	0	0	0	0	111.5	N233 V305 T330 L337	A228-N233 VanDerWaalsContact CA-O 3.26Å; A228-N233 WeakPolarHBondContact CA-O 3.21Å; A228-V305 HydrophobicContact CB-CG2 4.22Å; A228-T330 PolarHBondContact N-OG1 3.21Å; A228-T330 PolarHBondContact O-OG1 3.21Å; A228-L337 HydrophobicContact CB-CD1 3.64Å; A228-L337 HydrophobicContact CB-CD2 3.76Å; A228-L337 HydrophobicContact CB-CG 4.36Å
229	D	89.1	Confident	92	Very high	35 Å²	35	42.1 Å²	42.1	19%	0.187	24%	0.241	C	C	.	.			trans	-74	-172.5	177.1	70.6	11.6	0	0	0	112.7	D231 G232 N233 I235 R281	D229-D231 VanDerWaalsContact C-N 3.25Å; D229-D231 PolarHBondContact O-N 3.2Å; D229-D231 WeakPolarHBondContact OD1-CA 3.19Å; D229-D231 PolarHBondContact OD1-N 2.66Å; D229-G232 PolarHBondContact O-N 3.26Å; D229-G232 PolarHBondContact OD1-N 3.32Å; D229-N233 PolarHBondContact N-O 3.04Å; D229-N233 PolarHBondContact OD1-N 3.22Å; D229-N233 PolarHBondContact OD1-ND2 2.69Å; D229-N233 WeakPolarHBondContact OD2-CB 3.36Å; D229-N233 PolarHBondContact OD2-ND2 3.36Å; D229-I235 HydrophobicContact CB-CD1 4.2Å; D229-I235 HydrophobicContact CB-CG2 4.35Å; D229-R281 VanDerWaalsContact O-CZ 3.27Å; D229-R281 PolarHBondContact O-NH1 2.91Å; D229-R281 PolarHBondContact O-NH2 3.3Å
230	G	81.8	Confident	91.7	Very high	65 Å²	65	42.6 Å²	42.6	67%	0.67	24%	0.244	S	C	*	.	S	Bend	trans	-67.6	-17.9	178.7	0	0	0	0	0	115	R281	G230-R281 PolarHBondContact O-NH2 3.25Å
231	D	83.1	Confident	91.4	Very high	143 Å²	143	37.5 Å²	37.5	77%	0.765	22%	0.22	S	C	*	.	S	Bend	trans	-97.9	-13.7	176.4	-63	-42.9	0	0	0	112.5	D229	D229-D231 VanDerWaalsContact C-N 3.25Å; D229-D231 PolarHBondContact O-N 3.2Å; D229-D231 WeakPolarHBondContact OD1-CA 3.19Å; D229-D231 PolarHBondContact OD1-N 2.66Å
232	G	83.6	Confident	91.4	Very high	15 Å²	15	35.3 Å²	35.3	16%	0.155	21%	0.205	C	C	.	.	S	Bend	trans	97.6	11	179.2	0	0	0	0	0	113	D229	D229-G232 PolarHBondContact O-N 3.26Å; D229-G232 PolarHBondContact OD1-N 3.32Å
233	N	90.9	Very high	91.3	Very high	84 Å²	84	35.1 Å²	35.1	45%	0.449	20%	0.197	S	C	.	.			trans	-75	136.4	174.8	-50	-58.8	0	0	0	109.6	A228 D229 I235	A228-N233 VanDerWaalsContact CA-O 3.26Å; A228-N233 WeakPolarHBondContact CA-O 3.21Å; D229-N233 PolarHBondContact N-O 3.04Å; D229-N233 PolarHBondContact OD1-N 3.22Å; D229-N233 PolarHBondContact OD1-ND2 2.69Å; D229-N233 WeakPolarHBondContact OD2-CB 3.36Å; D229-N233 PolarHBondContact OD2-ND2 3.36Å; N233-I235 PolarHBondContact O-N 2.76Å
234	P	94.6	Very high	90.5	Very high	38 Å²	38	34.5 Å²	34.5	25%	0.247	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134	175.1	-17.6	30	0	0	0	111.6	L226 A227 Y298 S303 V305	L226-P234 HydrophobicContact CD1-CB 4.06Å; A227-P234 WeakPolarHBondContact O-CA 3.36Å; P234-Y298 HydrophobicContact CB-CD2 4.14Å; P234-Y298 HydrophobicContact CB-CE2 3.68Å; P234-Y298 HydrophobicContact CG-CD2 3.98Å; P234-Y298 HydrophobicContact CG-CE2 3.66Å; P234-S303 WeakPolarHBondContact CG-O 3.46Å; P234-V305 HydrophobicContact CG-CG2 4.13Å
235	I	96.3	Very high	89.9	Confident	51 Å²	51	32.3 Å²	32.3	26%	0.262	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.6	176.5	60.9	163.9	0	0	0	110.6	A227 D229 N233 Q328	A227-I235 HydrophobicContact CB-CG1 4.33Å; A227-I235 PolarHBondContact N-O 2.7Å; A227-I235 PolarHBondContact O-N 3Å; D229-I235 HydrophobicContact CB-CD1 4.2Å; D229-I235 HydrophobicContact CB-CG2 4.35Å; N233-I235 PolarHBondContact O-N 2.76Å; I235-Q328 HydrophobicContact CD1-CB 4.31Å; I235-Q328 HydrophobicContact CD1-CG 3.85Å
236	F	96.8	Very high	89.2	Confident	63 Å²	63	33.2 Å²	33.2	28%	0.276	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.6	168.7	-71.7	-76.7	0	0	0	110.4	L208 Q209 R224 V225 L226	L208-F236 VanDerWaalsContact O-CE1 3.24Å; L208-F236 WeakPolarHBondContact O-CE1 3.49Å; Q209-F236 VanDerWaalsContact CA-CD1 3.46Å; Q209-F236 VanDerWaalsContact CA-CE1 3.41Å; Q209-F236 HydrophobicContact CB-CB 4.23Å; Q209-F236 HydrophobicContact CB-CD1 3.85Å; Q209-F236 HydrophobicContact CB-CD2 4.34Å; Q209-F236 HydrophobicContact CB-CE1 4.3Å; Q209-F236 HydrophobicContact CB-CG 3.88Å; Q209-F236 HydrophobicContact CG-CB 4.2Å; Q209-F236 HydrophobicContact CG-CD1 4.38Å; Q209-F236 HydrophobicContact CG-CD2 3.99Å; Q209-F236 HydrophobicContact CG-CE2 4.47Å; Q209-F236 HydrophobicContact CG-CG 3.93Å; R224-F236 HydrophobicContact CB-CB 4.49Å; R224-F236 PolarHBondContact NH2-O 2.7Å; V225-F236 WeakPolarHBondContact O-CA 3.42Å; L226-F236 HydrophobicContact CB-CD1 4.27Å; L226-F236 HydrophobicContact CB-CE1 3.82Å; L226-F236 HydrophobicContact CD1-CD1 4.5Å; L226-F236 HydrophobicContact CD1-CE1 4.03Å; L226-F236 HydrophobicContact CD1-CE2 4.42Å; L226-F236 HydrophobicContact CD1-CZ 4.01Å
237	T	95.7	Very high	88.6	Confident	10 Å²	10	35.2 Å²	35.2	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.1	-174.6	-171	0	0	0	0	110.7	R224 V225 A227 F239 T326 Q328	R224-T237 CarbonylContact C-O 3.53Å; R224-T237 VanDerWaalsContact CA-O 3.31Å; R224-T237 WeakPolarHBondContact CA-O 3.41Å; V225-T237 HydrophobicContact CG2-CG2 4.21Å; V225-T237 PolarHBondContact N-O 3.27Å; V225-T237 PolarHBondContact O-N 3.22Å; A227-T237 HydrophobicContact CB-CG2 3.48Å; A227-T237 VanDerWaalsContact CB-CG2 3.48Å; T237-F239 PolarHBondContact O-N 3.32Å; T237-T326 HydrophobicContact CG2-CG2 3.95Å; T237-Q328 HydrophobicContact CG2-CB 3.92Å; T237-Q328 PolarHBondContact OG1-N 3.09Å; T237-Q328 VanDerWaalsContact OG1-N 3.09Å
238	D	93.5	Very high	87.7	Confident	41 Å²	41	39.7 Å²	39.7	22%	0.219	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131	-179.5	-67.4	-14.9	0	0	0	110.4	R224 T326 A327 H361	R224-D238 WeakPolarHBondContact CD-OD1 3.49Å; R224-D238 VanDerWaalsContact CG-OD1 3.25Å; R224-D238 WeakPolarHBondContact CG-OD1 3.46Å; R224-D238 IonicContact NE-OD1 2.72Å; R224-D238 PolarHBondContact NE-OD1 2.91Å; D238-T326 CarbonylContact O-C 3.55Å; D238-T326 WeakPolarHBondContact O-CA 3.43Å; D238-A327 HydrophobicContact CB-CB 4.48Å; D238-A327 PolarHBondContact O-N 2.84Å; D238-H361 IonicContact OD2-CE1 2.69Å
239	F	93.2	Very high	86.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.3	159.3	170.3	-95.1	0	0	0	109	L219 Q220 D223 V225 T237 M241 F242 P324 H377	L219-F239 HydrophobicContact CB-CD1 4.17Å; L219-F239 HydrophobicContact CB-CD2 4.07Å; L219-F239 HydrophobicContact CB-CE1 4.06Å; L219-F239 HydrophobicContact CB-CE2 3.96Å; L219-F239 HydrophobicContact CB-CG 4.16Å; L219-F239 HydrophobicContact CB-CZ 3.94Å; L219-F239 HydrophobicContact CD1-CD2 4.01Å; L219-F239 HydrophobicContact CD1-CE2 4.18Å; Q220-F239 VanDerWaalsContact C-CD1 3.49Å; Q220-F239 WeakPolarHBondContact O-CD1 3.06Å; D223-F239 HydrophobicContact CB-CB 4.35Å; D223-F239 WeakPolarHBondContact O-CB 3.24Å; D223-F239 PolarHBondContact O-N 3.02Å; V225-F239 HydrophobicContact CG1-CB 4.47Å; T237-F239 PolarHBondContact O-N 3.32Å; F239-M241 WeakPolarHBondContact CE2-O 3.31Å; F239-F242 HydrophobicContact CE2-CD1 4.28Å; F239-F242 HydrophobicContact CE2-CE1 4.05Å; F239-F242 HydrophobicContact CE2-CE2 4.38Å; F239-F242 HydrophobicContact CE2-CZ 4.1Å; F239-F242 HydrophobicContact CZ-CD1 4.32Å; F239-F242 AromaticContact CZ-CD2 3.84Å; F239-F242 HydrophobicContact CZ-CD2 3.84Å; F239-F242 HydrophobicContact CZ-CE1 4.16Å; F239-F242 AromaticContact CZ-CE2 3.68Å; F239-F242 HydrophobicContact CZ-CE2 3.68Å; F239-F242 HydrophobicContact CZ-CG 4.16Å; F239-F242 AromaticContact CZ-CZ 3.84Å; F239-F242 HydrophobicContact CZ-CZ 3.84Å; F239-P324 HydrophobicContact CD2-CB 4.01Å; F239-P324 HydrophobicContact CE2-CB 3.68Å; F239-H377 AromaticContact CE1-CE1 3.83Å; F239-H377 AromaticContact CE1-NE2 3.75Å; F239-H377 AromaticContact CZ-NE2 3.96Å
240	I	87.3	Confident	86.2	Confident	14 Å²	14	49.4 Å²	49.4	7%	0.072	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-57.7	-176.2	-61.2	178	0	0	0	110	V325 A327 V357 R358 H361	I240-V325 WeakPolarHBondContact CB-O 3.32Å; I240-V325 PolarHBondContact N-O 2.92Å; I240-A327 HydrophobicContact CD1-CB 4.09Å; I240-V357 HydrophobicContact CG2-CG1 4.22Å; I240-R358 HydrophobicContact CD1-CB 4.47Å; I240-R358 HydrophobicContact CD1-CG 3.8Å; I240-H361 HydrophobicContact CD1-CB 4.48Å; I240-H361 HydrophobicContact CG2-CB 4.25Å
241	M	86.4	Confident	85.8	Confident	19 Å²	19	47.3 Å²	47.3	9%	0.094	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	171.4	-174.2	67.3	-175.9	-169.2	0	0	111.5	F239 I243 V325 V357	F239-M241 WeakPolarHBondContact CE2-O 3.31Å; M241-I243 HydrophobicContact CE-CB 4.5Å; M241-I243 HydrophobicContact CE-CG1 4.41Å; M241-V325 PolarHBondContact O-N 3.45Å; M241-V357 HydrophobicContact CE-CG1 3.82Å; M241-V357 HydrophobicContact CE-CG2 4.46Å; M241-V357 HydrophobicContact SD-CG1 4.11Å
242	F	86.3	Confident	85.4	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.044	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.4	158.3	-64.1	-72	0	0	0	110.5	V216 L219 F239 R245 F322 A323 P324 H377	V216-F242 HydrophobicContact CG1-CE1 4.1Å; V216-F242 WeakPolarHBondContact O-CZ 3.45Å; L219-F242 HydrophobicContact CB-CE2 4.47Å; L219-F242 HydrophobicContact CB-CZ 3.89Å; F239-F242 HydrophobicContact CE2-CD1 4.28Å; F239-F242 HydrophobicContact CE2-CE1 4.05Å; F239-F242 HydrophobicContact CE2-CE2 4.38Å; F239-F242 HydrophobicContact CE2-CZ 4.1Å; F239-F242 HydrophobicContact CZ-CD1 4.32Å; F239-F242 AromaticContact CZ-CD2 3.84Å; F239-F242 HydrophobicContact CZ-CD2 3.84Å; F239-F242 HydrophobicContact CZ-CE1 4.16Å; F239-F242 AromaticContact CZ-CE2 3.68Å; F239-F242 HydrophobicContact CZ-CE2 3.68Å; F239-F242 HydrophobicContact CZ-CG 4.16Å; F239-F242 AromaticContact CZ-CZ 3.84Å; F239-F242 HydrophobicContact CZ-CZ 3.84Å; F242-R245 HydrophobicContact CB-CB 4.04Å; F242-R245 HydrophobicContact CG-CB 4.46Å; F242-F322 HydrophobicContact CD1-CB 3.97Å; F242-F322 HydrophobicContact CD1-CD1 4.44Å; F242-F322 HydrophobicContact CE1-CB 3.75Å; F242-F322 HydrophobicContact CE1-CD1 4.17Å; F242-F322 HydrophobicContact CE1-CG 4.42Å; F242-F322 HydrophobicContact CZ-CD1 4.25Å; F242-A323 CarbonylContact C-O 3.59Å; F242-A323 VanDerWaalsContact CA-O 3.31Å; F242-A323 WeakPolarHBondContact CA-O 3.41Å; F242-P324 HydrophobicContact CD1-CB 4.22Å; F242-P324 HydrophobicContact CE1-CB 3.99Å; F242-H377 HydrophobicContact CD2-CB 4.42Å; F242-H377 AromaticContact CD2-CD2 3.96Å; F242-H377 AromaticContact CD2-CE1 3.99Å; F242-H377 AromaticContact CD2-CG 3.99Å; F242-H377 AromaticContact CD2-NE2 3.98Å
243	I	81	Confident	85.6	Confident	23 Å²	23	41.5 Å²	41.5	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-26.4	175.2	-163.3	166.9	0	0	0	112.2	M241 A323 V325 L354 H382 S385	M241-I243 HydrophobicContact CE-CB 4.5Å; M241-I243 HydrophobicContact CE-CG1 4.41Å; I243-A323 HydrophobicContact CG2-CB 3.55Å; I243-A323 PolarHBondContact N-O 2.92Å; I243-V325 HydrophobicContact CB-CG2 3.68Å; I243-V325 HydrophobicContact CD1-CG2 4.39Å; I243-V325 HydrophobicContact CG2-CG2 3.87Å; I243-L354 HydrophobicContact CD1-CD1 3.73Å; I243-L354 HydrophobicContact CD1-CD2 3.83Å; I243-L354 HydrophobicContact CD1-CG 4.39Å; I243-H382 PolarHBondContact O-N 2.96Å; I243-S385 WeakPolarHBondContact CG1-OG 3.31Å; I243-S385 PolarHBondContact O-OG 2.98Å
244	D	79.1	Confident	85.5	Confident	13 Å²	13	39.6 Å²	39.6	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.7	167.7	-172.7	15.8	0	0	0	108.4	A323 V381	D244-A323 HydrophobicContact CB-CB 4.02Å; D244-A323 PolarHBondContact O-N 2.57Å; D244-V381 HydrophobicContact CB-CG2 4.3Å; D244-V381 WeakPolarHBondContact OD1-CG2 3.48Å
245	R	83.8	Confident	85.6	Confident	51 Å²	51	37.9 Å²	37.9	19%	0.192	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	123.5	179.5	177.8	180	-179.1	166.2	18.9	108.8	F242 F322 H377 E379 G380	F242-R245 HydrophobicContact CB-CB 4.04Å; F242-R245 HydrophobicContact CG-CB 4.46Å; R245-F322 HydrophobicContact CG-CD1 3.85Å; R245-F322 HydrophobicContact CG-CE1 3.8Å; R245-H377 PolarHBondContact NH1-O 2.87Å; R245-H377 VanDerWaalsContact NH1-O 3.16Å; R245-E379 IonicContact NE-OE1 2.93Å; R245-G380 WeakPolarHBondContact O-CA 3.45Å; R245-G380 PolarHBondContact O-N 3.25Å
246	D	83	Confident	85.7	Confident	20 Å²	20	35.4 Å²	35.4	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	114.1	174.1	178.9	-16.2	0	0	0	107	T248 T249 R251 G320 S321 E379	D246-T248 PolarHBondContact OD1-N 2.91Å; D246-T249 VanDerWaalsContact CG-OG1 3.26Å; D246-T249 WeakPolarHBondContact OD1-CB 3.46Å; D246-T249 PolarHBondContact OD1-N 3.14Å; D246-T249 PolarHBondContact OD1-OG1 3.33Å; D246-T249 WeakPolarHBondContact OD2-CB 3.44Å; D246-T249 PolarHBondContact OD2-OG1 2.85Å; D246-R251 IonicContact OD2-CZ 2.67Å; D246-R251 IonicContact OD2-NE 3.77Å; D246-R251 IonicContact OD2-NH2 2.85Å; D246-R251 PolarHBondContact OD2-NH2 3.27Å; D246-G320 CarbonylContact O-C 3.6Å; D246-G320 WeakPolarHBondContact O-CA 3.15Å; D246-S321 PolarHBondContact N-O 3.12Å; D246-S321 PolarHBondContact O-N 3.49Å; D246-E379 WeakPolarHBondContact CA-OE2 3.46Å
247	S	85.2	Confident	85.7	Confident	44 Å²	44	33.6 Å²	33.6	31%	0.308	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-10.8	-175.7	61	0	0	0	0	114.7	E379	S247-E379 WeakPolarHBondContact CB-OE1 3.41Å; S247-E379 PolarHBondContact N-OE1 3.38Å; S247-E379 PolarHBondContact N-OE2 2.96Å; S247-E379 VanDerWaalsContact OG-CD 3.28Å; S247-E379 PolarHBondContact OG-OE1 3.42Å
248	T	76.9	Confident	85.8	Confident	94 Å²	94	33.2 Å²	33.2	58%	0.577	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119	-28.2	-166.1	59.7	0	0	0	0	113.5	D246 R250 E319	D246-T248 PolarHBondContact OD1-N 2.91Å; T248-R250 PolarHBondContact O-N 2.89Å; T248-E319 WeakPolarHBondContact O-CG 3.43Å
249	T	74.4	Confident	85.9	Confident	67 Å²	67	36.9 Å²	36.9	41%	0.411	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.3	-176.1	-53.5	0	0	0	0	110.8	D246 R251 G320	D246-T249 VanDerWaalsContact CG-OG1 3.26Å; D246-T249 WeakPolarHBondContact OD1-CB 3.46Å; D246-T249 PolarHBondContact OD1-N 3.14Å; D246-T249 PolarHBondContact OD1-OG1 3.33Å; D246-T249 WeakPolarHBondContact OD2-CB 3.44Å; D246-T249 PolarHBondContact OD2-OG1 2.85Å; T249-R251 HydrophobicContact CG2-CG 4.29Å; T249-G320 PolarHBondContact O-N 3.41Å
250	R	76.9	Confident	85.9	Confident	172 Å²	172	41 Å²	41	65%	0.649	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.7	169.6	-74.8	-173.8	178.3	179.2	0.7	110.9	T248 H318 E319	T248-R250 PolarHBondContact O-N 2.89Å; R250-H318 WeakPolarHBondContact CA-O 3.09Å; R250-E319 HydrophobicContact CG-CB 4.22Å; R250-E319 HydrophobicContact CG-CG 4.28Å
251	R	73	Confident	86.2	Confident	22 Å²	22	42.4 Å²	42.4	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.6	-175.4	-70.1	-161.1	-165.2	-168.3	5.8	110.3	V192 D246 T249 F253 E317 H318 S321	V192-R251 HydrophobicContact CG1-CB 3.56Å; V192-R251 HydrophobicContact CG1-CG 3.92Å; D246-R251 IonicContact OD2-CZ 2.67Å; D246-R251 IonicContact OD2-NE 3.77Å; D246-R251 IonicContact OD2-NH2 2.85Å; D246-R251 PolarHBondContact OD2-NH2 3.27Å; T249-R251 HydrophobicContact CG2-CG 4.29Å; R251-F253 HydrophobicContact CB-CD2 4.35Å; R251-F253 HydrophobicContact CB-CE2 3.63Å; R251-F253 HydrophobicContact CB-CZ 4.1Å; R251-F253 WeakPolarHBondContact O-CD2 3.41Å; R251-F253 WeakPolarHBondContact O-CE2 3.18Å; R251-E317 CarbonylContact O-C 3.4Å; R251-E317 WeakPolarHBondContact O-CA 2.96Å; R251-H318 PolarHBondContact N-O 3.03Å; R251-H318 PolarHBondContact O-N 3.05Å; R251-S321 WeakPolarHBondContact CD-OG 3.18Å; R251-S321 PolarHBondContact NE-OG 3.22Å; R251-S321 VanDerWaalsContact NE-OG 3.11Å; R251-S321 PolarHBondContact NH1-OG 2.82Å; R251-S321 PolarHBondContact NH2-OG 3.28Å
252	T	75.9	Confident	86.7	Confident	35 Å²	35	43.3 Å²	43.3	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.8	165.7	-43.1	0	0	0	0	110.2	V192 T315 Q316	V192-T252 WeakPolarHBondContact CG1-O 3.39Å; V192-T252 VanDerWaalsContact CG2-N 3.32Å; T252-T315 HydrophobicContact CG2-CG2 4.1Å; T252-Q316 CarbonylContact C-O 3.52Å; T252-Q316 WeakPolarHBondContact CA-O 3.03Å
253	F	87	Confident	87.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.8	175	-66.1	-98.7	0	0	0	110.1	F200 P201 R251 T265 L266 T267 T315 Q316 H318	F200-F253 VanDerWaalsContact C-CE1 3.47Å; P201-F253 HydrophobicContact CB-CE1 4.2Å; P201-F253 HydrophobicContact CB-CE2 4.19Å; P201-F253 HydrophobicContact CB-CZ 4Å; P201-F253 HydrophobicContact CG-CD1 4.47Å; P201-F253 HydrophobicContact CG-CE1 4.45Å; P201-F253 VanDerWaalsContact N-CE1 3.33Å; R251-F253 HydrophobicContact CB-CD2 4.35Å; R251-F253 HydrophobicContact CB-CE2 3.63Å; R251-F253 HydrophobicContact CB-CZ 4.1Å; R251-F253 WeakPolarHBondContact O-CD2 3.41Å; R251-F253 WeakPolarHBondContact O-CE2 3.18Å; F253-T265 HydrophobicContact CB-CG2 3.3Å; F253-T265 HydrophobicContact CD1-CG2 4.18Å; F253-T265 HydrophobicContact CG-CG2 3.83Å; F253-L266 CarbonylContact C-O 3.59Å; F253-T267 HydrophobicContact CD1-CG2 3.85Å; F253-T267 HydrophobicContact CE1-CG2 3.63Å; F253-T267 HydrophobicContact CZ-CG2 4.24Å; F253-T315 CarbonylContact O-C 3.5Å; F253-T315 WeakPolarHBondContact O-CA 3.37Å; F253-Q316 PolarHBondContact N-O 3.45Å; F253-Q316 PolarHBondContact O-N 2.95Å; F253-H318 HydrophobicContact CD2-CB 3.77Å; F253-H318 AromaticContact CD2-CD2 3.98Å; F253-H318 HydrophobicContact CE2-CB 3.67Å
254	Y	90.3	Very high	88.1	Confident	45 Å²	45	45.7 Å²	45.7	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.8	165.9	-77.4	-111.9	0	0	0	108.5	T265 L266 A268 I313 T315	Y254-T265 CarbonylContact O-C 3.59Å; Y254-T265 VanDerWaalsContact O-CA 3.3Å; Y254-T265 WeakPolarHBondContact O-CA 3.33Å; Y254-L266 PolarHBondContact N-O 2.86Å; Y254-L266 PolarHBondContact O-N 2.89Å; Y254-A268 HydrophobicContact CD2-CB 4.03Å; Y254-A268 HydrophobicContact CE2-CB 3.59Å; Y254-I313 HydrophobicContact CD1-CG2 3.95Å; Y254-T315 HydrophobicContact CD2-CG2 4.37Å; Y254-T315 HydrophobicContact CE2-CG2 4.31Å; Y254-T315 HydrophobicContact CG-CG2 4.48Å
255	V	96.4	Very high	88.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.6	171.9	-172.3	0	0	0	0	107.8	K263 I264 T265 I313 Y314 Q316	V255-K263 HydrophobicContact CG1-CB 4.2Å; V255-I264 WeakPolarHBondContact CA-O 3.42Å; V255-T265 HydrophobicContact CG2-CG2 4.02Å; V255-I313 WeakPolarHBondContact O-CA 3.47Å; V255-Y314 HydrophobicContact CB-CD1 4.37Å; V255-Y314 HydrophobicContact CB-CD2 4.08Å; V255-Y314 HydrophobicContact CB-CE1 4.02Å; V255-Y314 HydrophobicContact CB-CE2 3.69Å; V255-Y314 HydrophobicContact CB-CG 4.41Å; V255-Y314 HydrophobicContact CG1-CE1 3.9Å; V255-Y314 HydrophobicContact CG1-CE2 4.02Å; V255-Y314 WeakPolarHBondContact CG1-OH 3.41Å; V255-Y314 HydrophobicContact CG2-CD2 4.29Å; V255-Y314 HydrophobicContact CG2-CE2 3.83Å; V255-Y314 PolarHBondContact N-O 2.88Å; V255-Y314 PolarHBondContact O-N 3.45Å; V255-Y314 VanDerWaalsContact O-N 3.13Å; V255-Q316 HydrophobicContact CG2-CB 4.03Å; V255-Q316 HydrophobicContact CG2-CG 3.75Å
256	I	96.7	Very high	89.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.6	175.2	-59.6	172.8	0	0	0	106.8	K263 I264 L266 I272 V289 V295 V310 I313	I256-K263 WeakPolarHBondContact O-CA 3.42Å; I256-I264 HydrophobicContact CB-CG2 3.92Å; I256-I264 PolarHBondContact N-O 3.25Å; I256-I264 PolarHBondContact O-N 3.27Å; I256-I264 VanDerWaalsContact O-N 3.09Å; I256-L266 HydrophobicContact CD1-CD2 4.29Å; I256-I272 HydrophobicContact CD1-CD1 3.96Å; I256-I272 HydrophobicContact CD1-CG2 4.31Å; I256-V289 HydrophobicContact CD1-CB 4.05Å; I256-V289 HydrophobicContact CD1-CG1 4.15Å; I256-V289 HydrophobicContact CD1-CG2 3.95Å; I256-V295 HydrophobicContact CG2-CG1 4.48Å; I256-V310 HydrophobicContact CG2-CB 4.38Å; I256-V310 HydrophobicContact CG2-CG1 3.75Å; I256-V310 HydrophobicContact CG2-CG2 3.72Å; I256-I313 HydrophobicContact CG1-CG1 4.44Å; I256-I313 HydrophobicContact CG1-CG2 4.37Å
257	E	97.6	Very high	89.7	Confident	25 Å²	25	42.4 Å²	42.4	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.4	179.9	177.7	165.4	-172.7	0	0	110.1	Q262 K263 N311 R312 Y314	E257-Q262 WeakPolarHBondContact CA-O 3.33Å; E257-K263 HydrophobicContact CB-CG 4.12Å; E257-K263 HydrophobicContact CG-CD 4.26Å; E257-K263 HydrophobicContact CG-CG 3.95Å; E257-K263 WeakPolarHBondContact OE1-CE 3.36Å; E257-K263 IonicContact OE1-NZ 3.16Å; E257-K263 PolarHBondContact OE1-NZ 3.11Å; E257-K263 IonicContact OE2-NZ 3.86Å; E257-K263 PolarHBondContact OE2-NZ 3.31Å; E257-N311 WeakPolarHBondContact O-CB 3.34Å; E257-N311 PolarHBondContact O-N 3.38Å; E257-R312 HydrophobicContact CB-CG 4.02Å; E257-R312 HydrophobicContact CG-CG 4.47Å; E257-R312 PolarHBondContact N-O 3.02Å; E257-R312 PolarHBondContact O-N 3.07Å; E257-R312 IonicContact OE2-CZ 2.75Å; E257-R312 IonicContact OE2-NE 2.81Å; E257-R312 PolarHBondContact OE2-NE 2.75Å; E257-R312 IonicContact OE2-NH2 3.19Å; E257-R312 PolarHBondContact OE2-NH2 2.81Å; E257-Y314 HydrophobicContact CB-CE1 4.47Å
258	T	97.3	Very high	89.5	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	161.9	179.7	70.6	0	0	0	0	111.7	T260 G261 Q262 V295 V297 V308 N309	T258-T260 PolarHBondContact O-N 3.5Å; T258-T260 PolarHBondContact OG1-OG1 2.92Å; T258-G261 PolarHBondContact O-N 3.39Å; T258-G261 VanDerWaalsContact O-N 3.09Å; T258-G261 PolarHBondContact OG1-N 2.99Å; T258-Q262 HydrophobicContact CG2-CB 4.46Å; T258-Q262 PolarHBondContact N-O 3.08Å; T258-Q262 PolarHBondContact OG1-N 3.19Å; T258-Q262 VanDerWaalsContact OG1-N 3.09Å; T258-Q262 PolarHBondContact OG1-O 3.4Å; T258-Q262 PolarHBondContact OG1-OE1 3.45Å; T258-V295 HydrophobicContact CG2-CG2 3.58Å; T258-V297 HydrophobicContact CG2-CG2 4.01Å; T258-V308 HydrophobicContact CG2-CG1 4.49Å; T258-N309 WeakPolarHBondContact CA-O 3.35Å
259	E	95.9	Very high	89.7	Confident	117 Å²	117	36 Å²	36	55%	0.547	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.2	175.6	-72.1	177.8	177.4	0	0	113.2	G261 N309 N311	E259-G261 VanDerWaalsContact C-N 3.28Å; E259-N309 HydrophobicContact CG-CB 3.98Å; E259-N309 PolarHBondContact N-O 3.24Å; E259-N309 WeakPolarHBondContact OE1-CB 3.26Å; E259-N309 PolarHBondContact OE1-ND2 2.9Å; E259-N309 WeakPolarHBondContact OE2-CB 3.23Å; E259-N309 PolarHBondContact OE2-ND2 3.18Å; E259-N311 HydrophobicContact CG-CB 3.99Å
260	T	93.9	Very high	90.3	Very high	86 Å²	86	32.8 Å²	32.8	53%	0.528	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.5	176.5	51.7	0	0	0	0	113.3	T258 Q262 V308	T258-T260 PolarHBondContact O-N 3.5Å; T258-T260 PolarHBondContact OG1-OG1 2.92Å; T260-Q262 PolarHBondContact O-NE2 3.49Å; T260-Q262 PolarHBondContact O-OE1 3.37Å; T260-Q262 PolarHBondContact OG1-OE1 3.27Å; T260-V308 HydrophobicContact CG2-CG1 4.02Å; T260-V308 WeakPolarHBondContact OG1-CG1 3.33Å
261	G	94.2	Very high	91	Very high	45 Å²	45	24.6 Å²	24.6	46%	0.464	13%	0.133	S	C	.	.	S	Bend	trans	90.5	-2	168.6	0	0	0	0	0	116.1	T258 E259	T258-G261 PolarHBondContact O-N 3.39Å; T258-G261 VanDerWaalsContact O-N 3.09Å; T258-G261 PolarHBondContact OG1-N 2.99Å; E259-G261 VanDerWaalsContact C-N 3.28Å
262	Q	96.9	Very high	92	Very high	37 Å²	37	23.6 Å²	23.6	17%	0.173	13%	0.129	C	C	.	.			trans	-71.6	145.8	173.5	-62.7	77.1	17.7	0	0	110.2	E257 T258 T260 V297 Q335 V336	E257-Q262 WeakPolarHBondContact CA-O 3.33Å; T258-Q262 HydrophobicContact CG2-CB 4.46Å; T258-Q262 PolarHBondContact N-O 3.08Å; T258-Q262 PolarHBondContact OG1-N 3.19Å; T258-Q262 VanDerWaalsContact OG1-N 3.09Å; T258-Q262 PolarHBondContact OG1-O 3.4Å; T258-Q262 PolarHBondContact OG1-OE1 3.45Å; T260-Q262 PolarHBondContact O-NE2 3.49Å; T260-Q262 PolarHBondContact O-OE1 3.37Å; T260-Q262 PolarHBondContact OG1-OE1 3.27Å; Q262-V297 HydrophobicContact CB-CG1 4.36Å; Q262-V297 HydrophobicContact CG-CG1 3.7Å; Q262-Q335 HydrophobicContact CG-CB 4.19Å; Q262-V336 HydrophobicContact CB-CG2 4.06Å
263	K	97.4	Very high	92.8	Very high	83 Å²	83	22.5 Å²	22.5	36%	0.361	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.9	-176.7	-54.3	-173.8	-167	-148.6	0	108.9	V255 I256 E257 D334	V255-K263 HydrophobicContact CG1-CB 4.2Å; I256-K263 WeakPolarHBondContact O-CA 3.42Å; E257-K263 HydrophobicContact CB-CG 4.12Å; E257-K263 HydrophobicContact CG-CD 4.26Å; E257-K263 HydrophobicContact CG-CG 3.95Å; E257-K263 WeakPolarHBondContact OE1-CE 3.36Å; E257-K263 IonicContact OE1-NZ 3.16Å; E257-K263 PolarHBondContact OE1-NZ 3.11Å; E257-K263 IonicContact OE2-NZ 3.86Å; E257-K263 PolarHBondContact OE2-NZ 3.31Å; K263-D334 WeakPolarHBondContact O-CB 3.26Å
264	I	98	Very high	93.2	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.4	171.8	-168.2	179.9	0	0	0	109.2	F200 V255 I256 L266 I272 V333 V336 A338	F200-I264 HydrophobicContact CE1-CD1 3.93Å; F200-I264 HydrophobicContact CE1-CG1 4.33Å; V255-I264 WeakPolarHBondContact CA-O 3.42Å; I256-I264 HydrophobicContact CB-CG2 3.92Å; I256-I264 PolarHBondContact N-O 3.25Å; I256-I264 PolarHBondContact O-N 3.27Å; I256-I264 VanDerWaalsContact O-N 3.09Å; I264-L266 HydrophobicContact CB-CD2 4.09Å; I264-L266 HydrophobicContact CD1-CD2 3.95Å; I264-L266 HydrophobicContact CG1-CD2 3.69Å; I264-L266 HydrophobicContact CG2-CD2 3.63Å; I264-I272 HydrophobicContact CD1-CD1 4.43Å; I264-I272 HydrophobicContact CG2-CD1 3.82Å; I264-V333 HydrophobicContact CD1-CB 4.42Å; I264-V336 HydrophobicContact CB-CB 3.8Å; I264-V336 HydrophobicContact CB-CG1 4.21Å; I264-V336 HydrophobicContact CB-CG2 3.91Å; I264-V336 HydrophobicContact CD1-CB 3.92Å; I264-V336 HydrophobicContact CD1-CG1 4.11Å; I264-V336 HydrophobicContact CG1-CB 4.29Å; I264-V336 HydrophobicContact CG2-CB 4.04Å; I264-V336 HydrophobicContact CG2-CG1 3.89Å; I264-V336 HydrophobicContact CG2-CG2 4.15Å; I264-A338 HydrophobicContact CD1-CB 4.03Å
265	T	96.8	Very high	93.3	Very high	14 Å²	14	21.9 Å²	21.9	9%	0.086	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.2	-178.4	-55.5	0	0	0	0	109.1	F200 P201 F253 Y254 V255	F200-T265 WeakPolarHBondContact CD1-O 3.33Å; P201-T265 WeakPolarHBondContact CD-O 3.34Å; P201-T265 HydrophobicContact CG-CG2 3.78Å; F253-T265 HydrophobicContact CB-CG2 3.3Å; F253-T265 HydrophobicContact CD1-CG2 4.18Å; F253-T265 HydrophobicContact CG-CG2 3.83Å; Y254-T265 CarbonylContact O-C 3.59Å; Y254-T265 VanDerWaalsContact O-CA 3.3Å; Y254-T265 WeakPolarHBondContact O-CA 3.33Å; V255-T265 HydrophobicContact CG2-CG2 4.02Å
266	L	93.8	Very high	92.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.1	-173	57.2	156.4	0	0	0	111.4	C199 F200 F253 Y254 I256 I264 H270 I272 A286	C199-L266 WeakPolarHBondContact O-CA 3.27Å; F200-L266 HydrophobicContact CD1-CB 3.99Å; F200-L266 HydrophobicContact CE1-CB 3.97Å; F253-L266 CarbonylContact C-O 3.59Å; Y254-L266 PolarHBondContact N-O 2.86Å; Y254-L266 PolarHBondContact O-N 2.89Å; I256-L266 HydrophobicContact CD1-CD2 4.29Å; I264-L266 HydrophobicContact CB-CD2 4.09Å; I264-L266 HydrophobicContact CD1-CD2 3.95Å; I264-L266 HydrophobicContact CG1-CD2 3.69Å; I264-L266 HydrophobicContact CG2-CD2 3.63Å; L266-H270 HydrophobicContact CB-CB 3.99Å; L266-H270 HydrophobicContact CD1-CB 3.8Å; L266-H270 HydrophobicContact CG-CB 4.39Å; L266-I272 HydrophobicContact CD1-CB 4.24Å; L266-A286 HydrophobicContact CD1-CB 3.43Å; L266-A286 VanDerWaalsContact CD1-CB 3.43Å; L266-A286 HydrophobicContact CG-CB 3.76Å
267	T	88.3	Confident	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.			trans	-69.2	160.3	176.9	59.1	0	0	0	0	111.6	G197 G198 C199 F253 A269 H270 A286	G197-T267 PolarHBondContact O-OG1 2.94Å; G198-T267 VanDerWaalsContact CA-OG1 3.29Å; G198-T267 WeakPolarHBondContact CA-OG1 3.4Å; C199-T267 HydrophobicContact CB-CG2 4.09Å; C199-T267 PolarHBondContact N-OG1 3.31Å; C199-T267 PolarHBondContact O-N 2.82Å; F253-T267 HydrophobicContact CD1-CG2 3.85Å; F253-T267 HydrophobicContact CE1-CG2 3.63Å; F253-T267 HydrophobicContact CZ-CG2 4.24Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 PolarHBondContact O-N 2.86Å; T267-H270 WeakPolarHBondContact O-CB 3.48Å; T267-H270 PolarHBondContact O-N 2.85Å; T267-A286 WeakPolarHBondContact O-CB 3.41Å
268	A	81.5	Confident	90.1	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-44.5	-175.1	0	0	0	0	0	113.8	Y254 H270 A286 S287 L404	Y254-A268 HydrophobicContact CD2-CB 4.03Å; Y254-A268 HydrophobicContact CE2-CB 3.59Å; A268-H270 VanDerWaalsContact C-N 3.31Å; A268-H270 PolarHBondContact O-N 2.83Å; A268-A286 WeakPolarHBondContact O-CB 3.18Å; A268-A286 PolarHBondContact O-N 2.85Å; A268-A286 VanDerWaalsContact O-N 3.12Å; A268-S287 PolarHBondContact O-N 3.2Å; A268-S287 VanDerWaalsContact O-N 3.11Å; A268-S287 PolarHBondContact O-OG 3.03Å; A268-L404 HydrophobicContact CB-CD1 4.24Å
269	A	80.5	Confident	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.7	-175.9	0	0	0	0	0	114.2	S196 T267 F285 A342 V343 H402	S196-A269 VanDerWaalsContact O-CB 3.26Å; S196-A269 WeakPolarHBondContact O-CB 3.5Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 PolarHBondContact O-N 2.86Å; A269-F285 VanDerWaalsContact O-CD1 3.29Å; A269-F285 WeakPolarHBondContact O-CD1 3.44Å; A269-A342 WeakPolarHBondContact O-CB 2.94Å; A269-V343 PolarHBondContact O-N 3.13Å; A269-H402 HydrophobicContact CB-CB 4.09Å; A269-H402 VanDerWaalsContact CB-ND1 3.3Å; A269-H402 WeakPolarHBondContact CB-ND1 3.29Å
270	H	88.9	Confident	87.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134	179.8	-168.5	113.9	0	0	0	109.9	G198 C199 F200 L266 T267 A268 A286 S339	G198-H270 VanDerWaalsContact CA-CB 3.47Å; G198-H270 PolarHBondContact O-ND1 3.48Å; C199-H270 PolarHBondContact N-ND1 3.3Å; C199-H270 VanDerWaalsContact N-ND1 3.11Å; F200-H270 AromaticContact CD2-CE1 3.84Å; F200-H270 AromaticContact CE1-CE1 3.86Å; F200-H270 AromaticContact CE1-NE2 3.74Å; F200-H270 AromaticContact CE2-CE1 3.13Å; F200-H270 WeakPolarHBondContact CE2-CE1 3.45Å; F200-H270 AromaticContact CE2-NE2 3.5Å; F200-H270 WeakPolarHBondContact CE2-NE2 3.48Å; F200-H270 AromaticContact CZ-CD2 3.9Å; F200-H270 AromaticContact CZ-CE1 3.15Å; F200-H270 WeakPolarHBondContact CZ-CE1 3.35Å; F200-H270 AromaticContact CZ-ND1 4Å; F200-H270 AromaticContact CZ-NE2 3.03Å; F200-H270 WeakPolarHBondContact CZ-NE2 3.42Å; L266-H270 HydrophobicContact CB-CB 3.99Å; L266-H270 HydrophobicContact CD1-CB 3.8Å; L266-H270 HydrophobicContact CG-CB 4.39Å; T267-H270 WeakPolarHBondContact O-CB 3.48Å; T267-H270 PolarHBondContact O-N 2.85Å; A268-H270 VanDerWaalsContact C-N 3.31Å; A268-H270 PolarHBondContact O-N 2.83Å; H270-A286 PolarHBondContact O-N 3.2Å; H270-S339 PolarHBondContact NE2-O 3.16Å
271	L	90.1	Very high	87.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.1	-177.8	-69.1	176.4	0	0	0	112.3	A283 T284 F285 S339 Y341 I344	L271-A283 HydrophobicContact CB-CB 4.38Å; L271-A283 HydrophobicContact CD1-CB 4.04Å; L271-A283 HydrophobicContact CD2-CB 4.26Å; L271-A283 HydrophobicContact CG-CB 4.48Å; L271-T284 WeakPolarHBondContact CA-O 3.5Å; L271-F285 HydrophobicContact CD2-CD1 3.53Å; L271-F285 HydrophobicContact CD2-CE1 3.59Å; L271-F285 HydrophobicContact CD2-CG 4.14Å; L271-F285 HydrophobicContact CD2-CZ 4.26Å; L271-F285 HydrophobicContact CG-CD1 4.32Å; L271-F285 HydrophobicContact CG-CE1 4.24Å; L271-S339 PolarHBondContact O-N 3.46Å; L271-Y341 WeakPolarHBondContact CB-O 3.34Å; L271-Y341 PolarHBondContact N-O 3.04Å; L271-I344 WeakPolarHBondContact CD1-O 3.37Å
272	I	94.1	Very high	87	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.1	171	-170.8	171	0	0	0	109.9	I256 I264 L266 T284 V289 V295 V336	I256-I272 HydrophobicContact CD1-CD1 3.96Å; I256-I272 HydrophobicContact CD1-CG2 4.31Å; I264-I272 HydrophobicContact CD1-CD1 4.43Å; I264-I272 HydrophobicContact CG2-CD1 3.82Å; L266-I272 HydrophobicContact CD1-CB 4.24Å; I272-T284 PolarHBondContact N-O 3.07Å; I272-T284 PolarHBondContact O-N 3.29Å; I272-V289 HydrophobicContact CG2-CG2 3.51Å; I272-V295 HydrophobicContact CD1-CB 4.35Å; I272-V295 HydrophobicContact CD1-CG1 3.86Å; I272-V295 HydrophobicContact CG1-CG1 4.4Å; I272-V336 HydrophobicContact CD1-CG1 3.92Å
273	F	94.1	Very high	86.7	Confident	12 Å²	12	42.7 Å²	42.7	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126	177	-64.6	-75.7	0	0	0	110.9	R281 S282 A283 F296 T330 L337 H347	F273-R281 HydrophobicContact CD1-CB 4.23Å; F273-S282 WeakPolarHBondContact CA-O 3.27Å; F273-A283 HydrophobicContact CD1-CB 4.47Å; F273-A283 HydrophobicContact CE1-CB 4.3Å; F273-F296 HydrophobicContact CB-CD2 3.86Å; F273-F296 HydrophobicContact CB-CE2 4.47Å; F273-F296 WeakPolarHBondContact O-CD2 3.46Å; F273-T330 HydrophobicContact CE2-CG2 3.79Å; F273-T330 HydrophobicContact CZ-CG2 3.83Å; F273-L337 HydrophobicContact CD2-CD2 3.94Å; F273-L337 HydrophobicContact CD2-CG 3.8Å; F273-L337 HydrophobicContact CE2-CD2 4.46Å; F273-L337 HydrophobicContact CE2-CG 4.27Å; F273-H347 AromaticContact CZ-ND1 3.94Å
274	V	94	Very high	86.2	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.8	172.3	-60.8	0	0	0	0	110.7	S282 T284 V289 K294 V295	V274-S282 PolarHBondContact N-O 2.89Å; V274-S282 PolarHBondContact O-N 2.99Å; V274-T284 VanDerWaalsContact CG2-OG1 3.29Å; V274-T284 WeakPolarHBondContact CG2-OG1 3.38Å; V274-V289 HydrophobicContact CG1-CG2 4.2Å; V274-K294 CarbonylContact C-O 3.59Å; V274-K294 WeakPolarHBondContact CA-O 3.3Å; V274-V295 HydrophobicContact CG1-CG1 4.19Å
275	A	92.1	Very high	85.5	Confident	26 Å²	26	39.8 Å²	39.8	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128.2	175.9	0	0	0	0	0	110.6	K294 F296	A275-K294 HydrophobicContact CB-CB 4.01Å; A275-K294 PolarHBondContact N-O 3.44Å; A275-F296 HydrophobicContact CB-CE2 3.98Å; A275-F296 HydrophobicContact CB-CZ 3.84Å
276	R	84.6	Confident	85.1	Confident	143 Å²	143	39.1 Å²	39.1	54%	0.54	21%	0.205	S	C	.	.			trans	-91.9	175.9	168.7	-71.2	-167.8	178.5	-176.4	3	111.5	N278 S279 T280 S282	R276-N278 PolarHBondContact O-N 3.32Å; R276-S279 WeakPolarHBondContact O-CA 3.22Å; R276-S279 PolarHBondContact O-N 2.8Å; R276-T280 PolarHBondContact N-O 3.34Å; R276-S282 VanDerWaalsContact CZ-OG 3.32Å; R276-S282 PolarHBondContact NE-OG 2.7Å; R276-S282 VanDerWaalsContact NE-OG 3.11Å; R276-S282 PolarHBondContact NH2-OG 3.38Å
277	E	72.4	Confident	84.6	Confident	199 Å²	199	39.9 Å²	39.9	93%	0.93	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-26.2	-172.2	-67.1	178.7	167.8	0	0	114.8
278	N	67.2	Low	84.3	Confident	137 Å²	137	43.2 Å²	43.2	73%	0.733	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	18	176.7	-67.1	-9.8	0	0	0	114.2	R276 T280	R276-N278 PolarHBondContact O-N 3.32Å; N278-T280 HydrophobicContact CB-CG2 4.13Å; N278-T280 PolarHBondContact O-N 3.15Å; N278-T280 VanDerWaalsContact O-N 3.07Å
279	S	65.3	Low	84.6	Confident	98 Å²	98	43.2 Å²	43.2	69%	0.685	23%	0.227	S	C	*	.	S	Bend	trans	56.6	15.7	-169.1	-53	0	0	0	0	114.6	R276	R276-S279 WeakPolarHBondContact O-CA 3.22Å; R276-S279 PolarHBondContact O-N 2.8Å
280	T	77.2	Confident	85.1	Confident	78 Å²	78	49.3 Å²	49.3	48%	0.479	25%	0.251	S	S	.	.			trans	-73.4	139.1	175.1	50.9	0	0	0	0	109.8	R276 N278 S282	R276-T280 PolarHBondContact N-O 3.34Å; N278-T280 HydrophobicContact CB-CG2 4.13Å; N278-T280 PolarHBondContact O-N 3.15Å; N278-T280 VanDerWaalsContact O-N 3.07Å; T280-S282 PolarHBondContact O-N 2.76Å
281	R	86.2	Confident	85.2	Confident	65 Å²	65	53 Å²	53	25%	0.245	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.5	174.2	-76.8	-176.7	-65.9	158.4	4.2	109.3	D229 G230 F273 F296	D229-R281 VanDerWaalsContact O-CZ 3.27Å; D229-R281 PolarHBondContact O-NH1 2.91Å; D229-R281 PolarHBondContact O-NH2 3.3Å; G230-R281 PolarHBondContact O-NH2 3.25Å; F273-R281 HydrophobicContact CD1-CB 4.23Å; R281-F296 HydrophobicContact CB-CE2 4.35Å; R281-F296 HydrophobicContact CG-CD1 4.46Å; R281-F296 HydrophobicContact CG-CD2 3.97Å; R281-F296 HydrophobicContact CG-CE1 3.96Å; R281-F296 HydrophobicContact CG-CE2 3.43Å; R281-F296 VanDerWaalsContact CG-CE2 3.43Å; R281-F296 HydrophobicContact CG-CG 4.46Å; R281-F296 HydrophobicContact CG-CZ 3.41Å; R281-F296 VanDerWaalsContact CG-CZ 3.41Å
282	S	88.4	Confident	85.2	Confident	20 Å²	20	55.6 Å²	55.6	14%	0.14	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.4	170.6	-175.4	0	0	0	0	108.5	F273 V274 R276 T280	F273-S282 WeakPolarHBondContact CA-O 3.27Å; V274-S282 PolarHBondContact N-O 2.89Å; V274-S282 PolarHBondContact O-N 2.99Å; R276-S282 VanDerWaalsContact CZ-OG 3.32Å; R276-S282 PolarHBondContact NE-OG 2.7Å; R276-S282 VanDerWaalsContact NE-OG 3.11Å; R276-S282 PolarHBondContact NH2-OG 3.38Å; T280-S282 PolarHBondContact O-N 2.76Å
283	A	89.1	Confident	85.1	Confident	11 Å²	11	58.9 Å²	58.9	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	142.5	164.3	0	0	0	0	0	109.1	L271 F273 H347	L271-A283 HydrophobicContact CB-CB 4.38Å; L271-A283 HydrophobicContact CD1-CB 4.04Å; L271-A283 HydrophobicContact CD2-CB 4.26Å; L271-A283 HydrophobicContact CG-CB 4.48Å; F273-A283 HydrophobicContact CD1-CB 4.47Å; F273-A283 HydrophobicContact CE1-CB 4.3Å; A283-H347 HydrophobicContact CB-CB 4.23Å
284	T	86.8	Confident	85.2	Confident	14 Å²	14	63 Å²	63	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	143.5	178.5	-64.1	0	0	0	0	108.3	L271 I272 V274 D288 V289	L271-T284 WeakPolarHBondContact CA-O 3.5Å; I272-T284 PolarHBondContact N-O 3.07Å; I272-T284 PolarHBondContact O-N 3.29Å; V274-T284 VanDerWaalsContact CG2-OG1 3.29Å; V274-T284 WeakPolarHBondContact CG2-OG1 3.38Å; T284-D288 HydrophobicContact CG2-CB 3.82Å; T284-V289 HydrophobicContact CG2-CG2 4.49Å
285	F	84.3	Confident	85.3	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	143.4	176.5	-63.5	-61.7	0	0	0	111.3	A269 L271 S287 D288 V289 E345 H402	A269-F285 VanDerWaalsContact O-CD1 3.29Å; A269-F285 WeakPolarHBondContact O-CD1 3.44Å; L271-F285 HydrophobicContact CD2-CD1 3.53Å; L271-F285 HydrophobicContact CD2-CE1 3.59Å; L271-F285 HydrophobicContact CD2-CG 4.14Å; L271-F285 HydrophobicContact CD2-CZ 4.26Å; L271-F285 HydrophobicContact CG-CD1 4.32Å; L271-F285 HydrophobicContact CG-CE1 4.24Å; F285-S287 PolarHBondContact O-N 3.46Å; F285-D288 HydrophobicContact CB-CB 4.46Å; F285-D288 PolarHBondContact O-N 3.16Å; F285-V289 PolarHBondContact O-N 3.07Å; F285-E345 HydrophobicContact CE2-CB 3.89Å; F285-E345 HydrophobicContact CE2-CG 4.13Å; F285-E345 HydrophobicContact CZ-CB 3.95Å; F285-H402 HydrophobicContact CD1-CB 4.08Å; F285-H402 AromaticContact CD1-CD2 3.88Å; F285-H402 HydrophobicContact CD2-CB 4.32Å; F285-H402 AromaticContact CD2-CD2 3.43Å; F285-H402 VanDerWaalsContact CD2-CD2 3.43Å; F285-H402 WeakPolarHBondContact CD2-CD2 3.34Å; F285-H402 HydrophobicContact CE1-CB 3.66Å; F285-H402 HydrophobicContact CE2-CB 3.91Å; F285-H402 AromaticContact CE2-CD2 3.86Å; F285-H402 HydrophobicContact CG-CB 4.4Å; F285-H402 AromaticContact CG-CD2 3.44Å; F285-H402 VanDerWaalsContact CG-CD2 3.44Å; F285-H402 WeakPolarHBondContact CG-CD2 3.39Å; F285-H402 HydrophobicContact CZ-CB 3.56Å
286	A	88.4	Confident	85.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-53.8	-38.8	178.9	0	0	0	0	0	112.7	L266 T267 A268 H270 D288 V289	L266-A286 HydrophobicContact CD1-CB 3.43Å; L266-A286 VanDerWaalsContact CD1-CB 3.43Å; L266-A286 HydrophobicContact CG-CB 3.76Å; T267-A286 WeakPolarHBondContact O-CB 3.41Å; A268-A286 WeakPolarHBondContact O-CB 3.18Å; A268-A286 PolarHBondContact O-N 2.85Å; A268-A286 VanDerWaalsContact O-N 3.12Å; H270-A286 PolarHBondContact O-N 3.2Å; A286-D288 PolarHBondContact O-N 3.36Å; A286-V289 PolarHBondContact O-N 3.47Å
287	S	82.8	Confident	86	Confident	17 Å²	17	55.9 Å²	55.9	12%	0.119	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-70.1	-16.7	177.8	45.1	0	0	0	0	114.4	A268 F285 R290 H402	A268-S287 PolarHBondContact O-N 3.2Å; A268-S287 VanDerWaalsContact O-N 3.11Å; A268-S287 PolarHBondContact O-OG 3.03Å; F285-S287 PolarHBondContact O-N 3.46Å; S287-R290 PolarHBondContact O-NH1 3.07Å; S287-H402 PolarHBondContact OG-NE2 2.84Å
288	D	83.2	Confident	87.1	Confident	70 Å²	70	48.2 Å²	48.2	37%	0.374	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-96.2	-9.3	178.3	-67.4	-33	0	0	0	113	T284 F285 A286 R290	T284-D288 HydrophobicContact CG2-CB 3.82Å; F285-D288 HydrophobicContact CB-CB 4.46Å; F285-D288 PolarHBondContact O-N 3.16Å; A286-D288 PolarHBondContact O-N 3.36Å; D288-R290 VanDerWaalsContact C-NH1 3.32Å; D288-R290 PolarHBondContact O-NH1 3.22Å
289	V	87.4	Confident	88.2	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	24%	0.238	C	C	.	.			trans	-64.3	142.5	172.2	-174.5	0	0	0	0	110.1	I256 I272 V274 T284 F285 A286 Q293 V310 I313	I256-V289 HydrophobicContact CD1-CB 4.05Å; I256-V289 HydrophobicContact CD1-CG1 4.15Å; I256-V289 HydrophobicContact CD1-CG2 3.95Å; I272-V289 HydrophobicContact CG2-CG2 3.51Å; V274-V289 HydrophobicContact CG1-CG2 4.2Å; T284-V289 HydrophobicContact CG2-CG2 4.49Å; F285-V289 PolarHBondContact O-N 3.07Å; A286-V289 PolarHBondContact O-N 3.47Å; V289-Q293 VanDerWaalsContact CA-OE1 3.29Å; V289-V310 HydrophobicContact CG1-CG2 4.04Å; V289-I313 VanDerWaalsContact C-CD1 3.47Å; V289-I313 HydrophobicContact CB-CD1 4.02Å; V289-I313 HydrophobicContact CG1-CD1 3.85Å; V289-I313 WeakPolarHBondContact O-CD1 3.45Å
290	R	89.8	Confident	89.2	Confident	129 Å²	129	40.8 Å²	40.8	49%	0.487	23%	0.228	S	C	.	.			trans	-127.4	147	178.3	-58	-66.3	175.7	-100.8	-2.3	110.5	S287 D288 Q293	S287-R290 PolarHBondContact O-NH1 3.07Å; D288-R290 VanDerWaalsContact C-NH1 3.32Å; D288-R290 PolarHBondContact O-NH1 3.22Å; R290-Q293 HydrophobicContact CB-CG 4.43Å; R290-Q293 WeakPolarHBondContact O-CB 3.36Å; R290-Q293 PolarHBondContact O-N 3.2Å
291	P	91.3	Very high	89.5	Confident	79 Å²	79	45.8 Å²	45.8	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	143.4	168.3	-26	35.8	0	0	0	111.9	Q293 I313	P291-Q293 VanDerWaalsContact C-N 3.29Å; P291-Q293 PolarHBondContact O-N 3.43Å; P291-I313 HydrophobicContact CG-CD1 4.48Å; P291-I313 HydrophobicContact CG-CG1 4.41Å
292	G	89.7	Confident	89.4	Confident	53 Å²	53	50.1 Å²	50.1	55%	0.546	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-15.7	-174.9	0	0	0	0	0	115.2	V310	G292-V310 PolarHBondContact N-O 3.15Å
293	Q	93.1	Very high	89.3	Confident	70 Å²	70	52.9 Å²	52.9	33%	0.327	28%	0.282	S	S	.	.			trans	-70.1	160.9	166.3	-68.5	-179.1	-34.2	0	0	110.7	V289 R290 P291 N309 V310	V289-Q293 VanDerWaalsContact CA-OE1 3.29Å; R290-Q293 HydrophobicContact CB-CG 4.43Å; R290-Q293 WeakPolarHBondContact O-CB 3.36Å; R290-Q293 PolarHBondContact O-N 3.2Å; P291-Q293 VanDerWaalsContact C-N 3.29Å; P291-Q293 PolarHBondContact O-N 3.43Å; Q293-N309 CarbonylContact O-C 3.54Å; Q293-N309 WeakPolarHBondContact O-CA 3.12Å; Q293-V310 WeakPolarHBondContact O-CG2 3.39Å; Q293-V310 PolarHBondContact O-N 3.05Å
294	K	95.5	Very high	89.4	Confident	99 Å²	99	57.9 Å²	57.9	43%	0.43	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.2	178.1	-67.7	177.3	-176.7	-179.7	0	111.4	V274 A275 A307 V308 N309	V274-K294 CarbonylContact C-O 3.59Å; V274-K294 WeakPolarHBondContact CA-O 3.3Å; A275-K294 HydrophobicContact CB-CB 4.01Å; A275-K294 PolarHBondContact N-O 3.44Å; K294-A307 HydrophobicContact CB-CB 4.17Å; K294-A307 HydrophobicContact CD-CB 4.26Å; K294-V308 CarbonylContact C-O 3.57Å; K294-V308 VanDerWaalsContact CA-O 3.24Å; K294-V308 WeakPolarHBondContact CA-O 3.37Å; K294-N309 WeakPolarHBondContact CE-OD1 3.33Å; K294-N309 WeakPolarHBondContact CG-OD1 3.29Å
295	V	96.4	Very high	89.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	161	170.8	-67.2	0	0	0	0	110.3	I256 T258 I272 V274 A307 V308 V310 V336	I256-V295 HydrophobicContact CG2-CG1 4.48Å; T258-V295 HydrophobicContact CG2-CG2 3.58Å; I272-V295 HydrophobicContact CD1-CB 4.35Å; I272-V295 HydrophobicContact CD1-CG1 3.86Å; I272-V295 HydrophobicContact CG1-CG1 4.4Å; V274-V295 HydrophobicContact CG1-CG1 4.19Å; V295-A307 CarbonylContact O-C 3.58Å; V295-A307 WeakPolarHBondContact O-CA 3.41Å; V295-V308 PolarHBondContact N-O 3.41Å; V295-V308 PolarHBondContact O-N 3.06Å; V295-V310 HydrophobicContact CB-CG2 4.4Å; V295-V310 HydrophobicContact CG1-CG2 3.65Å; V295-V310 HydrophobicContact CG2-CG2 3.99Å; V295-V336 HydrophobicContact CB-CG1 4.47Å; V295-V336 HydrophobicContact CG2-CG1 4.47Å
296	F	95.6	Very high	90.1	Very high	22 Å²	22	59.8 Å²	59.8	10%	0.096	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.3	-175.4	-74	-85.1	0	0	0	111.4	F273 A275 R281 V305 V306 A307 V336 L337	F273-F296 HydrophobicContact CB-CD2 3.86Å; F273-F296 HydrophobicContact CB-CE2 4.47Å; F273-F296 WeakPolarHBondContact O-CD2 3.46Å; A275-F296 HydrophobicContact CB-CE2 3.98Å; A275-F296 HydrophobicContact CB-CZ 3.84Å; R281-F296 HydrophobicContact CB-CE2 4.35Å; R281-F296 HydrophobicContact CG-CD1 4.46Å; R281-F296 HydrophobicContact CG-CD2 3.97Å; R281-F296 HydrophobicContact CG-CE1 3.96Å; R281-F296 HydrophobicContact CG-CE2 3.43Å; R281-F296 VanDerWaalsContact CG-CE2 3.43Å; R281-F296 HydrophobicContact CG-CG 4.46Å; R281-F296 HydrophobicContact CG-CZ 3.41Å; R281-F296 VanDerWaalsContact CG-CZ 3.41Å; F296-V305 HydrophobicContact CB-CG1 3.55Å; F296-V305 HydrophobicContact CD1-CG1 4Å; F296-V305 HydrophobicContact CG-CG1 4.23Å; F296-V306 CarbonylContact C-O 3.51Å; F296-V306 WeakPolarHBondContact CA-O 3.45Å; F296-A307 HydrophobicContact CD1-CB 4.39Å; F296-A307 HydrophobicContact CE1-CB 4.11Å; F296-V336 WeakPolarHBondContact O-CG1 3.36Å; F296-L337 HydrophobicContact CB-CB 3.99Å; F296-L337 HydrophobicContact CB-CD2 4.23Å; F296-L337 PolarHBondContact O-N 3.27Å
297	V	96.2	Very high	90.4	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136	-177.6	180	0	0	0	0	109.6	T258 Q262 D299 V305 V306 V308 Q335 V336	T258-V297 HydrophobicContact CG2-CG2 4.01Å; Q262-V297 HydrophobicContact CB-CG1 4.36Å; Q262-V297 HydrophobicContact CG-CG1 3.7Å; V297-D299 PolarHBondContact O-N 3.09Å; V297-V305 CarbonylContact O-C 3.59Å; V297-V305 WeakPolarHBondContact O-CA 3.44Å; V297-V306 PolarHBondContact N-O 3.39Å; V297-V306 PolarHBondContact O-N 2.91Å; V297-V308 HydrophobicContact CB-CG2 3.91Å; V297-V308 HydrophobicContact CG2-CB 3.92Å; V297-V308 HydrophobicContact CG2-CG2 3.7Å; V297-Q335 CarbonylContact C-O 3.45Å; V297-Q335 WeakPolarHBondContact CA-O 3.36Å; V297-Q335 WeakPolarHBondContact CG1-O 3.44Å; V297-V336 HydrophobicContact CG2-CG2 4.34Å
298	Y	95.1	Very high	91	Very high	37 Å²	37	62 Å²	62	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.2	171.2	179.4	-106.2	0	0	0	110.7	L226 P234 G300 V305 Q335	L226-Y298 HydrophobicContact CD1-CE2 4.25Å; L226-Y298 HydrophobicContact CD2-CD1 3.48Å; L226-Y298 VanDerWaalsContact CD2-CD1 3.48Å; L226-Y298 HydrophobicContact CD2-CD2 3.84Å; L226-Y298 HydrophobicContact CD2-CE1 3.58Å; L226-Y298 HydrophobicContact CD2-CE2 3.94Å; L226-Y298 HydrophobicContact CD2-CG 3.6Å; P234-Y298 HydrophobicContact CB-CD2 4.14Å; P234-Y298 HydrophobicContact CB-CE2 3.68Å; P234-Y298 HydrophobicContact CG-CD2 3.98Å; P234-Y298 HydrophobicContact CG-CE2 3.66Å; Y298-G300 VanDerWaalsContact CE1-CA 3.5Å; Y298-V305 HydrophobicContact CD2-CG2 4.45Å; Y298-Q335 PolarHBondContact N-O 3.38Å
299	D	90.9	Very high	91.6	Very high	33 Å²	33	61 Å²	61	18%	0.176	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	102.3	171.9	179.1	-11.1	0	0	0	108.2	V297 E301 R302 S303 R304 V306	V297-D299 PolarHBondContact O-N 3.09Å; D299-E301 VanDerWaalsContact C-N 3.3Å; D299-E301 PolarHBondContact O-N 3.25Å; D299-E301 PolarHBondContact OD1-N 2.91Å; D299-E301 VanDerWaalsContact OD1-N 3.12Å; D299-R302 PolarHBondContact O-N 3.28Å; D299-R302 PolarHBondContact OD1-N 2.81Å; D299-R302 VanDerWaalsContact OD2-CD 3.27Å; D299-R302 WeakPolarHBondContact OD2-CD 3.46Å; D299-R302 WeakPolarHBondContact OD2-CG 3.45Å; D299-R302 IonicContact OD2-NE 3.87Å; D299-R302 IonicContact OD2-NH1 3.58Å; D299-S303 WeakPolarHBondContact O-CA 3.48Å; D299-S303 PolarHBondContact O-N 3.33Å; D299-R304 HydrophobicContact CB-CG 4.46Å; D299-R304 PolarHBondContact N-O 3.29Å; D299-R304 PolarHBondContact O-N 3.36Å; D299-V306 HydrophobicContact CB-CG1 4.45Å; D299-V306 HydrophobicContact CB-CG2 4.21Å
300	G	85.5	Confident	92.1	Very high	46 Å²	46	61 Å²	61	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.4	-177.7	0	0	0	0	0	114.4	Y298	Y298-G300 VanDerWaalsContact CE1-CA 3.5Å
301	E	84.5	Confident	92.3	Very high	184 Å²	184	58.9 Å²	58.9	86%	0.86	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-35.4	177	-64.1	-172.3	165.4	0	0	111.2	D299	D299-E301 VanDerWaalsContact C-N 3.3Å; D299-E301 PolarHBondContact O-N 3.25Å; D299-E301 PolarHBondContact OD1-N 2.91Å; D299-E301 VanDerWaalsContact OD1-N 3.12Å
302	R	83.8	Confident	92.3	Very high	155 Å²	155	60.4 Å²	60.4	59%	0.585	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	2.2	-177.7	-60.9	-172.2	-179	146.9	-12.1	113.6	D299 R304	D299-R302 PolarHBondContact O-N 3.28Å; D299-R302 PolarHBondContact OD1-N 2.81Å; D299-R302 VanDerWaalsContact OD2-CD 3.27Å; D299-R302 WeakPolarHBondContact OD2-CD 3.46Å; D299-R302 WeakPolarHBondContact OD2-CG 3.45Å; D299-R302 IonicContact OD2-NE 3.87Å; D299-R302 IonicContact OD2-NH1 3.58Å; R302-R304 HydrophobicContact CB-CG 3.74Å; R302-R304 PolarHBondContact O-N 3.16Å
303	S	86.8	Confident	92.4	Very high	79 Å²	79	60 Å²	60	55%	0.552	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	48.7	-177	-62.1	0	0	0	0	112.3	P234 D299	P234-S303 WeakPolarHBondContact CG-O 3.46Å; D299-S303 WeakPolarHBondContact O-CA 3.48Å; D299-S303 PolarHBondContact O-N 3.33Å
304	R	91	Very high	92	Very high	116 Å²	116	59.4 Å²	59.4	44%	0.438	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.9	-177.4	65.5	178.7	180	177.6	-1.5	112.1	D299 R302 V306	D299-R304 HydrophobicContact CB-CG 4.46Å; D299-R304 PolarHBondContact N-O 3.29Å; D299-R304 PolarHBondContact O-N 3.36Å; R302-R304 HydrophobicContact CB-CG 3.74Å; R302-R304 PolarHBondContact O-N 3.16Å; R304-V306 HydrophobicContact CG-CG1 3.89Å
305	V	92.5	Very high	91.4	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.145	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.5	170.5	-170.8	0	0	0	0	109.2	A228 P234 F296 V297 Y298 L337	A228-V305 HydrophobicContact CB-CG2 4.22Å; P234-V305 HydrophobicContact CG-CG2 4.13Å; F296-V305 HydrophobicContact CB-CG1 3.55Å; F296-V305 HydrophobicContact CD1-CG1 4Å; F296-V305 HydrophobicContact CG-CG1 4.23Å; V297-V305 CarbonylContact O-C 3.59Å; V297-V305 WeakPolarHBondContact O-CA 3.44Å; Y298-V305 HydrophobicContact CD2-CG2 4.45Å; V305-L337 HydrophobicContact CG1-CB 4.46Å; V305-L337 HydrophobicContact CG1-CD2 4.39Å
306	V	93.3	Very high	90.9	Very high	37 Å²	37	60.9 Å²	60.9	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.5	-178.8	-63.3	0	0	0	0	111	F296 V297 D299 R304 V308	F296-V306 CarbonylContact C-O 3.51Å; F296-V306 WeakPolarHBondContact CA-O 3.45Å; V297-V306 PolarHBondContact N-O 3.39Å; V297-V306 PolarHBondContact O-N 2.91Å; D299-V306 HydrophobicContact CB-CG1 4.45Å; D299-V306 HydrophobicContact CB-CG2 4.21Å; R304-V306 HydrophobicContact CG-CG1 3.89Å; V306-V308 HydrophobicContact CG2-CG2 4.04Å
307	A	94.4	Very high	90.3	Very high	49 Å²	49	66.3 Å²	66.3	41%	0.405	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.5	176.4	0	0	0	0	0	110.4	K294 V295 F296	K294-A307 HydrophobicContact CB-CB 4.17Å; K294-A307 HydrophobicContact CD-CB 4.26Å; V295-A307 CarbonylContact O-C 3.58Å; V295-A307 WeakPolarHBondContact O-CA 3.41Å; F296-A307 HydrophobicContact CD1-CB 4.39Å; F296-A307 HydrophobicContact CE1-CB 4.11Å
308	V	95.3	Very high	89.8	Confident	15 Å²	15	68.3 Å²	68.3	9%	0.091	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.4	-178.4	-174.7	0	0	0	0	109.8	T258 T260 K294 V295 V297 V306	T258-V308 HydrophobicContact CG2-CG1 4.49Å; T260-V308 HydrophobicContact CG2-CG1 4.02Å; T260-V308 WeakPolarHBondContact OG1-CG1 3.33Å; K294-V308 CarbonylContact C-O 3.57Å; K294-V308 VanDerWaalsContact CA-O 3.24Å; K294-V308 WeakPolarHBondContact CA-O 3.37Å; V295-V308 PolarHBondContact N-O 3.41Å; V295-V308 PolarHBondContact O-N 3.06Å; V297-V308 HydrophobicContact CB-CG2 3.91Å; V297-V308 HydrophobicContact CG2-CB 3.92Å; V297-V308 HydrophobicContact CG2-CG2 3.7Å; V306-V308 HydrophobicContact CG2-CG2 4.04Å
309	N	96.4	Very high	89.4	Confident	48 Å²	48	72 Å²	72	26%	0.257	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	141	176.9	-63.9	-30.8	0	0	0	111.9	T258 E259 Q293 K294 N311	T258-N309 WeakPolarHBondContact CA-O 3.35Å; E259-N309 HydrophobicContact CG-CB 3.98Å; E259-N309 PolarHBondContact N-O 3.24Å; E259-N309 WeakPolarHBondContact OE1-CB 3.26Å; E259-N309 PolarHBondContact OE1-ND2 2.9Å; E259-N309 WeakPolarHBondContact OE2-CB 3.23Å; E259-N309 PolarHBondContact OE2-ND2 3.18Å; Q293-N309 CarbonylContact O-C 3.54Å; Q293-N309 WeakPolarHBondContact O-CA 3.12Å; K294-N309 WeakPolarHBondContact CE-OD1 3.33Å; K294-N309 WeakPolarHBondContact CG-OD1 3.29Å; N309-N311 PolarHBondContact O-N 2.78Å
310	V	96.8	Very high	89	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.1	167.6	177.6	0	0	0	0	108.2	I256 V289 G292 Q293 V295 I313	I256-V310 HydrophobicContact CG2-CB 4.38Å; I256-V310 HydrophobicContact CG2-CG1 3.75Å; I256-V310 HydrophobicContact CG2-CG2 3.72Å; V289-V310 HydrophobicContact CG1-CG2 4.04Å; G292-V310 PolarHBondContact N-O 3.15Å; Q293-V310 WeakPolarHBondContact O-CG2 3.39Å; Q293-V310 PolarHBondContact O-N 3.05Å; V295-V310 HydrophobicContact CB-CG2 4.4Å; V295-V310 HydrophobicContact CG1-CG2 3.65Å; V295-V310 HydrophobicContact CG2-CG2 3.99Å; V310-I313 HydrophobicContact CG1-CD1 4.08Å; V310-I313 HydrophobicContact CG1-CG1 3.7Å
311	N	94.8	Very high	89.2	Confident	85 Å²	85	68.2 Å²	68.2	46%	0.455	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-53.5	177.4	178.6	19.2	0	0	0	110.5	E257 E259 N309	E257-N311 WeakPolarHBondContact O-CB 3.34Å; E257-N311 PolarHBondContact O-N 3.38Å; E259-N311 HydrophobicContact CG-CB 3.99Å; N309-N311 PolarHBondContact O-N 2.78Å
312	R	91.6	Very high	89.5	Confident	111 Å²	111	59.8 Å²	59.8	42%	0.419	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.2	-179.1	66.6	179.3	-171.7	130.5	4.9	112.3	E257 Y314	E257-R312 HydrophobicContact CB-CG 4.02Å; E257-R312 HydrophobicContact CG-CG 4.47Å; E257-R312 PolarHBondContact N-O 3.02Å; E257-R312 PolarHBondContact O-N 3.07Å; E257-R312 IonicContact OE2-CZ 2.75Å; E257-R312 IonicContact OE2-NE 2.81Å; E257-R312 PolarHBondContact OE2-NE 2.75Å; E257-R312 IonicContact OE2-NH2 3.19Å; E257-R312 PolarHBondContact OE2-NH2 2.81Å; R312-Y314 HydrophobicContact CG-CD1 4.28Å; R312-Y314 HydrophobicContact CG-CE1 4.44Å; R312-Y314 VanDerWaalsContact NH2-CE1 3.3Å
313	I	91.1	Very high	89.9	Confident	45 Å²	45	52.6 Å²	52.6	23%	0.231	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.3	178.1	-51.9	174.6	0	0	0	107.8	Y254 V255 I256 V289 P291 V310	Y254-I313 HydrophobicContact CD1-CG2 3.95Å; V255-I313 WeakPolarHBondContact O-CA 3.47Å; I256-I313 HydrophobicContact CG1-CG1 4.44Å; I256-I313 HydrophobicContact CG1-CG2 4.37Å; V289-I313 VanDerWaalsContact C-CD1 3.47Å; V289-I313 HydrophobicContact CB-CD1 4.02Å; V289-I313 HydrophobicContact CG1-CD1 3.85Å; V289-I313 WeakPolarHBondContact O-CD1 3.45Å; P291-I313 HydrophobicContact CG-CD1 4.48Å; P291-I313 HydrophobicContact CG-CG1 4.41Å; V310-I313 HydrophobicContact CG1-CD1 4.08Å; V310-I313 HydrophobicContact CG1-CG1 3.7Å
314	Y	85.4	Confident	90.2	Very high	57 Å²	57	48.9 Å²	48.9	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	173.3	176.8	60.1	-85.9	0	0	0	109.7	V255 E257 R312 Q316	V255-Y314 HydrophobicContact CB-CD1 4.37Å; V255-Y314 HydrophobicContact CB-CD2 4.08Å; V255-Y314 HydrophobicContact CB-CE1 4.02Å; V255-Y314 HydrophobicContact CB-CE2 3.69Å; V255-Y314 HydrophobicContact CB-CG 4.41Å; V255-Y314 HydrophobicContact CG1-CE1 3.9Å; V255-Y314 HydrophobicContact CG1-CE2 4.02Å; V255-Y314 WeakPolarHBondContact CG1-OH 3.41Å; V255-Y314 HydrophobicContact CG2-CD2 4.29Å; V255-Y314 HydrophobicContact CG2-CE2 3.83Å; V255-Y314 PolarHBondContact N-O 2.88Å; V255-Y314 PolarHBondContact O-N 3.45Å; V255-Y314 VanDerWaalsContact O-N 3.13Å; E257-Y314 HydrophobicContact CB-CE1 4.47Å; R312-Y314 HydrophobicContact CG-CD1 4.28Å; R312-Y314 HydrophobicContact CG-CE1 4.44Å; R312-Y314 VanDerWaalsContact NH2-CE1 3.3Å; Y314-Q316 HydrophobicContact CD2-CG 4.14Å; Y314-Q316 HydrophobicContact CE2-CG 3.78Å
315	T	83.1	Confident	90.1	Very high	54 Å²	54	43.4 Å²	43.4	33%	0.331	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.8	-178.9	54.8	0	0	0	0	112.2	L57 T252 F253 Y254	L57-T315 HydrophobicContact CD1-CG2 3.91Å; T252-T315 HydrophobicContact CG2-CG2 4.1Å; F253-T315 CarbonylContact O-C 3.5Å; F253-T315 WeakPolarHBondContact O-CA 3.37Å; Y254-T315 HydrophobicContact CD2-CG2 4.37Å; Y254-T315 HydrophobicContact CE2-CG2 4.31Å; Y254-T315 HydrophobicContact CG-CG2 4.48Å
316	Q	85.3	Confident	90.1	Very high	76 Å²	76	42.2 Å²	42.2	36%	0.355	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.2	171.9	-71.6	-174.2	-8.4	0	0	110.3	T252 F253 V255 Y314 H318	T252-Q316 CarbonylContact C-O 3.52Å; T252-Q316 WeakPolarHBondContact CA-O 3.03Å; F253-Q316 PolarHBondContact N-O 3.45Å; F253-Q316 PolarHBondContact O-N 2.95Å; V255-Q316 HydrophobicContact CG2-CB 4.03Å; V255-Q316 HydrophobicContact CG2-CG 3.75Å; Y314-Q316 HydrophobicContact CD2-CG 4.14Å; Y314-Q316 HydrophobicContact CE2-CG 3.78Å; Q316-H318 PolarHBondContact OE1-NE2 3.39Å
317	E	82.8	Confident	89.8	Confident	136 Å²	136	42.2 Å²	42.2	64%	0.636	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.2	170.7	-66.4	-173	169.9	0	0	110.5	R251	R251-E317 CarbonylContact O-C 3.4Å; R251-E317 WeakPolarHBondContact O-CA 2.96Å
318	H	85.6	Confident	89.6	Confident	46 Å²	46	42.8 Å²	42.8	21%	0.213	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151	174	-68.7	-88.2	0	0	0	109.9	P201 R250 R251 F253 Q316	P201-H318 HydrophobicContact CB-CB 3.72Å; R250-H318 WeakPolarHBondContact CA-O 3.09Å; R251-H318 PolarHBondContact N-O 3.03Å; R251-H318 PolarHBondContact O-N 3.05Å; F253-H318 HydrophobicContact CD2-CB 3.77Å; F253-H318 AromaticContact CD2-CD2 3.98Å; F253-H318 HydrophobicContact CE2-CB 3.67Å; Q316-H318 PolarHBondContact OE1-NE2 3.39Å
319	E	86.1	Confident	89.3	Confident	114 Å²	114	42.1 Å²	42.1	53%	0.533	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.9	174.2	-167	175	141.8	0	0	110.4	T248 R250	T248-E319 WeakPolarHBondContact O-CG 3.43Å; R250-E319 HydrophobicContact CG-CB 4.22Å; R250-E319 HydrophobicContact CG-CG 4.28Å
320	G	84.1	Confident	89.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.8	151.2	-178.8	0	0	0	0	0	114.3	D246 T249	D246-G320 CarbonylContact O-C 3.6Å; D246-G320 WeakPolarHBondContact O-CA 3.15Å; T249-G320 PolarHBondContact O-N 3.41Å
321	S	88.9	Confident	89.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	134.6	-178.9	65	0	0	0	0	111.3	F200 D246 R251	F200-S321 WeakPolarHBondContact O-CA 3.36Å; D246-S321 PolarHBondContact N-O 3.12Å; D246-S321 PolarHBondContact O-N 3.49Å; R251-S321 WeakPolarHBondContact CD-OG 3.18Å; R251-S321 PolarHBondContact NE-OG 3.22Å; R251-S321 VanDerWaalsContact NE-OG 3.11Å; R251-S321 PolarHBondContact NH1-OG 2.82Å; R251-S321 PolarHBondContact NH2-OG 3.28Å
322	F	91	Very high	89.3	Confident	6 Å²	6	36 Å²	36	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	127	-170.9	-59.2	-97.6	0	0	0	109.4	C199 F200 G202 V216 R217 F242 R245 P324	C199-F322 WeakPolarHBondContact CA-O 3.33Å; F200-F322 PolarHBondContact N-O 3.16Å; F200-F322 PolarHBondContact O-N 3.36Å; G202-F322 VanDerWaalsContact CA-CD2 3.43Å; G202-F322 VanDerWaalsContact CA-CE2 3.41Å; V216-F322 HydrophobicContact CG1-CB 3.73Å; V216-F322 HydrophobicContact CG1-CG 4.48Å; R217-F322 HydrophobicContact CB-CD1 4.22Å; R217-F322 HydrophobicContact CB-CD2 4.32Å; R217-F322 HydrophobicContact CB-CE1 3.71Å; R217-F322 HydrophobicContact CB-CE2 3.85Å; R217-F322 HydrophobicContact CB-CZ 3.53Å; F242-F322 HydrophobicContact CD1-CB 3.97Å; F242-F322 HydrophobicContact CD1-CD1 4.44Å; F242-F322 HydrophobicContact CE1-CB 3.75Å; F242-F322 HydrophobicContact CE1-CD1 4.17Å; F242-F322 HydrophobicContact CE1-CG 4.42Å; F242-F322 HydrophobicContact CZ-CD1 4.25Å; R245-F322 HydrophobicContact CG-CD1 3.85Å; R245-F322 HydrophobicContact CG-CE1 3.8Å; F322-P324 VanDerWaalsContact O-CD 3.24Å; F322-P324 WeakPolarHBondContact O-CD 3.36Å
323	A	90.9	Very high	89.6	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.033	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	87.3	177.5	0	0	0	0	0	109.9	G198 F242 I243 D244	G198-A323 WeakPolarHBondContact O-CB 3.43Å; F242-A323 CarbonylContact C-O 3.59Å; F242-A323 VanDerWaalsContact CA-O 3.31Å; F242-A323 WeakPolarHBondContact CA-O 3.41Å; I243-A323 HydrophobicContact CG2-CB 3.55Å; I243-A323 PolarHBondContact N-O 2.92Å; D244-A323 HydrophobicContact CB-CB 4.02Å; D244-A323 PolarHBondContact O-N 2.57Å
324	P	92.9	Very high	89.9	Confident	1 Å²	1	30 Å²	30	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140	-179	30.6	-34.6	0	0	0	111.1	F200 V216 L219 F239 F242 F322 C340	F200-P324 HydrophobicContact CD2-CG 3.97Å; F200-P324 HydrophobicContact CE2-CG 4.1Å; V216-P324 HydrophobicContact CG1-CG 4.3Å; L219-P324 HydrophobicContact CD1-CB 4.22Å; F239-P324 HydrophobicContact CD2-CB 4.01Å; F239-P324 HydrophobicContact CE2-CB 3.68Å; F242-P324 HydrophobicContact CD1-CB 4.22Å; F242-P324 HydrophobicContact CE1-CB 3.99Å; F322-P324 VanDerWaalsContact O-CD 3.24Å; F322-P324 WeakPolarHBondContact O-CD 3.36Å; P324-C340 WeakPolarHBondContact O-CB 3.45Å
325	V	89.8	Confident	90.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.9	172.7	177.1	0	0	0	0	109.7	I240 M241 I243	I240-V325 WeakPolarHBondContact CB-O 3.32Å; I240-V325 PolarHBondContact N-O 2.92Å; M241-V325 PolarHBondContact O-N 3.45Å; I243-V325 HydrophobicContact CB-CG2 3.68Å; I243-V325 HydrophobicContact CD1-CG2 4.39Å; I243-V325 HydrophobicContact CG2-CG2 3.87Å
326	T	91.9	Very high	91.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	164.2	174.3	68.5	0	0	0	0	111.7	V225 T237 D238 Q328 G329 T330 V331 C340	V225-T326 HydrophobicContact CG2-CG2 3.55Å; T237-T326 HydrophobicContact CG2-CG2 3.95Å; D238-T326 CarbonylContact O-C 3.55Å; D238-T326 WeakPolarHBondContact O-CA 3.43Å; T326-Q328 PolarHBondContact O-N 3.2Å; T326-G329 PolarHBondContact O-N 3.38Å; T326-G329 PolarHBondContact OG1-N 2.96Å; T326-T330 PolarHBondContact OG1-O 3.09Å; T326-V331 HydrophobicContact CG2-CB 4.26Å; T326-V331 HydrophobicContact CG2-CG2 4.49Å; T326-C340 PolarHBondContact OG1-SG 3.21Å; T326-C340 VanDerWaalsContact OG1-SG 3.37Å
327	A	88.1	Confident	91.6	Very high	36 Å²	36	24.5 Å²	24.5	30%	0.298	12%	0.123	S	C	.	.	S	Bend	trans	-63.6	-30.7	173	0	0	0	0	0	112.7	D238 I240 R358	D238-A327 HydrophobicContact CB-CB 4.48Å; D238-A327 PolarHBondContact O-N 2.84Å; I240-A327 HydrophobicContact CD1-CB 4.09Å; A327-R358 WeakPolarHBondContact O-CD 3.25Å
328	Q	90.4	Very high	92.2	Very high	62 Å²	62	18 Å²	18	29%	0.29	9%	0.092	S	C	.	.	S	Bend	trans	-76.3	-27.2	175.8	-169.3	61.1	24.6	0	0	113.2	A227 I235 T237 T326 T330 H351	A227-Q328 HydrophobicContact CB-CB 4.42Å; I235-Q328 HydrophobicContact CD1-CB 4.31Å; I235-Q328 HydrophobicContact CD1-CG 3.85Å; T237-Q328 HydrophobicContact CG2-CB 3.92Å; T237-Q328 PolarHBondContact OG1-N 3.09Å; T237-Q328 VanDerWaalsContact OG1-N 3.09Å; T326-Q328 PolarHBondContact O-N 3.2Å; Q328-T330 VanDerWaalsContact C-N 3.25Å; Q328-T330 PolarHBondContact O-N 3.03Å; Q328-H351 PolarHBondContact O-CE1 2.95Å; Q328-H351 VanDerWaalsContact O-CE1 3.23Å
329	G	87.6	Confident	92.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	81.9	-1.4	-171.5	0	0	0	0	0	114.3	T326 C340 Y341 H347	T326-G329 PolarHBondContact O-N 3.38Å; T326-G329 PolarHBondContact OG1-N 2.96Å; G329-C340 VanDerWaalsContact C-SG 3.52Å; G329-C340 WeakPolarHBondContact O-CB 3.44Å; G329-C340 PolarHBondContact O-N 3.35Å; G329-Y341 WeakPolarHBondContact CA-OH 3.3Å; G329-H347 PolarHBondContact O-CE1 3.18Å; G329-H347 VanDerWaalsContact O-CE1 3.3Å
330	T	94.4	Very high	92.6	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.031	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158.9	170.6	67	0	0	0	0	110.3	A227 A228 F273 T326 Q328 A338	A227-T330 WeakPolarHBondContact CB-O 3.32Å; A228-T330 PolarHBondContact N-OG1 3.21Å; A228-T330 PolarHBondContact O-OG1 3.21Å; F273-T330 HydrophobicContact CE2-CG2 3.79Å; F273-T330 HydrophobicContact CZ-CG2 3.83Å; T326-T330 PolarHBondContact OG1-O 3.09Å; Q328-T330 VanDerWaalsContact C-N 3.25Å; Q328-T330 PolarHBondContact O-N 3.03Å; T330-A338 WeakPolarHBondContact CA-O 3.44Å
331	V	96.8	Very high	92.5	Very high	1 Å²	1	11 Å²	11	1%	0.006	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.5	178.4	61.2	0	0	0	0	110.2	F200 V206 V225 T326 V333 A338	F200-V331 HydrophobicContact CE2-CG1 4.16Å; F200-V331 HydrophobicContact CZ-CG1 4.37Å; V206-V331 HydrophobicContact CG1-CG2 4.06Å; V225-V331 HydrophobicContact CG2-CG2 4.34Å; T326-V331 HydrophobicContact CG2-CB 4.26Å; T326-V331 HydrophobicContact CG2-CG2 4.49Å; V331-V333 HydrophobicContact CG1-CG2 3.96Å; V331-V333 HydrophobicContact CG2-CG2 3.97Å; V331-A338 PolarHBondContact N-O 3.24Å; V331-A338 PolarHBondContact O-N 3.48Å
332	V	97.6	Very high	91.5	Very high	1 Å²	1	12 Å²	12	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	171.4	178.6	0	0	0	0	109	L226 V336 L337	L226-V332 HydrophobicContact CB-CB 4.32Å; L226-V332 HydrophobicContact CD2-CB 4.14Å; L226-V332 HydrophobicContact CD2-CG1 4.17Å; L226-V332 HydrophobicContact CD2-CG2 4.25Å; L226-V332 HydrophobicContact CG-CB 4.11Å; L226-V332 HydrophobicContact CG-CG2 4.01Å; L226-V332 PolarHBondContact O-N 3.45Å; V332-V336 WeakPolarHBondContact CA-O 3.16Å; V332-L337 HydrophobicContact CG2-CB 4.48Å; V332-L337 HydrophobicContact CG2-CD1 3.83Å
333	V	97.8	Very high	89.8	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.3	179.5	-178.7	0	0	0	0	109	F200 T205 V206 V216 I264 V331 Q335 V336	F200-V333 HydrophobicContact CD1-CB 4.24Å; F200-V333 HydrophobicContact CD1-CG1 3.89Å; F200-V333 HydrophobicContact CD1-CG2 4.28Å; F200-V333 HydrophobicContact CD2-CG2 4.08Å; F200-V333 HydrophobicContact CE1-CB 4.05Å; F200-V333 HydrophobicContact CE1-CG1 4.21Å; F200-V333 HydrophobicContact CE1-CG2 4.02Å; F200-V333 HydrophobicContact CE2-CG2 3.77Å; F200-V333 HydrophobicContact CG-CG1 4.18Å; F200-V333 HydrophobicContact CG-CG2 4.31Å; F200-V333 HydrophobicContact CZ-CB 4.24Å; F200-V333 HydrophobicContact CZ-CG2 3.73Å; T205-V333 WeakPolarHBondContact O-CA 3.36Å; V206-V333 HydrophobicContact CG1-CG2 3.99Å; V216-V333 HydrophobicContact CG2-CG1 4.26Å; I264-V333 HydrophobicContact CD1-CB 4.42Å; V331-V333 HydrophobicContact CG1-CG2 3.96Å; V331-V333 HydrophobicContact CG2-CG2 3.97Å; V333-Q335 PolarHBondContact O-N 3.01Å; V333-Q335 VanDerWaalsContact O-N 3.11Å; V333-V336 PolarHBondContact N-O 2.83Å; V333-V336 PolarHBondContact O-N 2.89Å; V333-V336 VanDerWaalsContact O-O 3.12Å
334	D	97.1	Very high	88.2	Confident	29 Å²	29	13.3 Å²	13.3	16%	0.155	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.7	-175.6	-59.8	-37.4	0	0	0	112.8	S204 T205 K263 V336	S204-D334 VanDerWaalsContact CB-OD2 3.22Å; S204-D334 WeakPolarHBondContact CB-OD2 3.45Å; S204-D334 PolarHBondContact OG-OD2 2.98Å; T205-D334 PolarHBondContact N-OD1 3.31Å; T205-D334 PolarHBondContact O-N 3.37Å; T205-D334 PolarHBondContact OG1-OD1 2.87Å; K263-D334 WeakPolarHBondContact O-CB 3.26Å; D334-V336 PolarHBondContact O-N 3.18Å
335	Q	95.9	Very high	86.5	Confident	72 Å²	72	17 Å²	17	34%	0.336	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	8.2	-177.1	-53	170.2	103.8	0	0	115.2	Q262 V297 Y298 V333	Q262-Q335 HydrophobicContact CG-CB 4.19Å; V297-Q335 CarbonylContact C-O 3.45Å; V297-Q335 WeakPolarHBondContact CA-O 3.36Å; V297-Q335 WeakPolarHBondContact CG1-O 3.44Å; Y298-Q335 PolarHBondContact N-O 3.38Å; V333-Q335 PolarHBondContact O-N 3.01Å; V333-Q335 VanDerWaalsContact O-N 3.11Å
336	V	97.6	Very high	85.3	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.1	177.2	-175.4	0	0	0	0	109.8	Q262 I264 I272 V295 F296 V297 V332 V333 D334	Q262-V336 HydrophobicContact CB-CG2 4.06Å; I264-V336 HydrophobicContact CB-CB 3.8Å; I264-V336 HydrophobicContact CB-CG1 4.21Å; I264-V336 HydrophobicContact CB-CG2 3.91Å; I264-V336 HydrophobicContact CD1-CB 3.92Å; I264-V336 HydrophobicContact CD1-CG1 4.11Å; I264-V336 HydrophobicContact CG1-CB 4.29Å; I264-V336 HydrophobicContact CG2-CB 4.04Å; I264-V336 HydrophobicContact CG2-CG1 3.89Å; I264-V336 HydrophobicContact CG2-CG2 4.15Å; I272-V336 HydrophobicContact CD1-CG1 3.92Å; V295-V336 HydrophobicContact CB-CG1 4.47Å; V295-V336 HydrophobicContact CG2-CG1 4.47Å; F296-V336 WeakPolarHBondContact O-CG1 3.36Å; V297-V336 HydrophobicContact CG2-CG2 4.34Å; V332-V336 WeakPolarHBondContact CA-O 3.16Å; V333-V336 PolarHBondContact N-O 2.83Å; V333-V336 PolarHBondContact O-N 2.89Å; V333-V336 VanDerWaalsContact O-O 3.12Å; D334-V336 PolarHBondContact O-N 3.18Å
337	L	96.6	Very high	84.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.1	-179.4	-177.6	69.8	0	0	0	110.6	A228 F273 F296 V305 V332	A228-L337 HydrophobicContact CB-CD1 3.64Å; A228-L337 HydrophobicContact CB-CD2 3.76Å; A228-L337 HydrophobicContact CB-CG 4.36Å; F273-L337 HydrophobicContact CD2-CD2 3.94Å; F273-L337 HydrophobicContact CD2-CG 3.8Å; F273-L337 HydrophobicContact CE2-CD2 4.46Å; F273-L337 HydrophobicContact CE2-CG 4.27Å; F296-L337 HydrophobicContact CB-CB 3.99Å; F296-L337 HydrophobicContact CB-CD2 4.23Å; F296-L337 PolarHBondContact O-N 3.27Å; V305-L337 HydrophobicContact CG1-CB 4.46Å; V305-L337 HydrophobicContact CG1-CD2 4.39Å; V332-L337 HydrophobicContact CG2-CB 4.48Å; V332-L337 HydrophobicContact CG2-CD1 3.83Å
338	A	95.8	Very high	83.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163.6	177.1	0	0	0	0	0	111.2	F200 I264 T330 V331	F200-A338 HydrophobicContact CE1-CB 4.23Å; F200-A338 HydrophobicContact CZ-CB 3.75Å; I264-A338 HydrophobicContact CD1-CB 4.03Å; T330-A338 WeakPolarHBondContact CA-O 3.44Å; V331-A338 PolarHBondContact N-O 3.24Å; V331-A338 PolarHBondContact O-N 3.48Å
339	S	92.4	Very high	82.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	153.6	169.5	-174	0	0	0	0	109.9	H270 L271 Y341 H347	H270-S339 PolarHBondContact NE2-O 3.16Å; L271-S339 PolarHBondContact O-N 3.46Å; S339-Y341 PolarHBondContact O-N 3.17Å; S339-Y341 PolarHBondContact OG-N 3.28Å; S339-H347 PolarHBondContact OG-CE1 3.49Å; S339-H347 PolarHBondContact OG-ND1 3.18Å
340	C	87.8	Confident	82.1	Confident	5 Å²	5	26.7 Å²	26.7	3%	0.034	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-3.6	164.5	-64.5	0	0	0	0	112.6	P324 T326 G329	P324-C340 WeakPolarHBondContact O-CB 3.45Å; T326-C340 PolarHBondContact OG1-SG 3.21Å; T326-C340 VanDerWaalsContact OG1-SG 3.37Å; G329-C340 VanDerWaalsContact C-SG 3.52Å; G329-C340 WeakPolarHBondContact O-CB 3.44Å; G329-C340 PolarHBondContact O-N 3.35Å
341	Y	80.9	Confident	81.3	Confident	7 Å²	7	28.2 Å²	28.2	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	160.1	-173.3	-49.6	-45.7	0	0	0	111.6	L271 G329 S339 H347 A350 H351 L354 R358	L271-Y341 WeakPolarHBondContact CB-O 3.34Å; L271-Y341 PolarHBondContact N-O 3.04Å; G329-Y341 WeakPolarHBondContact CA-OH 3.3Å; S339-Y341 PolarHBondContact O-N 3.17Å; S339-Y341 PolarHBondContact OG-N 3.28Å; Y341-H347 AromaticContact CD2-CE1 3.78Å; Y341-H347 AromaticContact CD2-ND1 3.58Å; Y341-H347 AromaticContact CE2-CE1 3.74Å; Y341-A350 HydrophobicContact CD1-CB 4.31Å; Y341-A350 HydrophobicContact CD2-CB 3.73Å; Y341-A350 HydrophobicContact CG-CB 3.6Å; Y341-H351 HydrophobicContact CD2-CB 4.45Å; Y341-H351 VanDerWaalsContact CE2-CA 3.42Å; Y341-H351 HydrophobicContact CE2-CB 3.58Å; Y341-H351 AromaticContact CE2-CG 3.99Å; Y341-H351 AromaticContact CE2-ND1 3.57Å; Y341-H351 AromaticContact CZ-ND1 3.6Å; Y341-H351 PolarHBondContact OH-ND1 3.23Å; Y341-L354 HydrophobicContact CD1-CD1 3.6Å; Y341-L354 HydrophobicContact CE1-CB 4.4Å; Y341-L354 HydrophobicContact CE1-CD1 3.27Å; Y341-L354 HydrophobicContact CE1-CG 4.44Å; Y341-R358 PolarHBondContact OH-NH1 3.13Å
342	A	67.4	Low	80.5	Confident	22 Å²	22	37 Å²	37	18%	0.182	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	178.8	-174.7	0	0	0	0	0	109.2	A269 I344	A269-A342 WeakPolarHBondContact O-CB 2.94Å; A342-I344 PolarHBondContact O-N 2.68Å
343	V	57.3	Low	79.4	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.024	19%	0.191	C	C	.	.	S	Bend	trans	70.3	-41.9	175.9	-176.6	0	0	0	0	113.1	A269 Y389 I401 H402 M406	A269-V343 PolarHBondContact O-N 3.13Å; V343-Y389 HydrophobicContact CG1-CE1 4.49Å; V343-Y389 HydrophobicContact CG2-CE1 4.41Å; V343-I401 HydrophobicContact CG1-CG2 3.65Å; V343-I401 CarbonylContact O-C 3.52Å; V343-I401 WeakPolarHBondContact O-CA 3.43Å; V343-H402 PolarHBondContact O-N 3.37Å; V343-M406 HydrophobicContact CG1-CG 4.37Å; V343-M406 HydrophobicContact CG1-SD 3.86Å
344	I	57.2	Low	78.6	Confident	34 Å²	34	39 Å²	39	17%	0.174	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-106.7	132	175.2	-62.6	170.5	0	0	0	109	L271 A342 D346 L349 L396 S400 I401	L271-I344 WeakPolarHBondContact CD1-O 3.37Å; A342-I344 PolarHBondContact O-N 2.68Å; I344-D346 VanDerWaalsContact C-N 3.26Å; I344-D346 HydrophobicContact CG2-CB 4.16Å; I344-D346 PolarHBondContact O-N 3.15Å; I344-L349 HydrophobicContact CG2-CD2 4.12Å; I344-L396 HydrophobicContact CD1-CD1 3.67Å; I344-L396 HydrophobicContact CG1-CD1 4.27Å; I344-S400 WeakPolarHBondContact CA-O 3.17Å; I344-I401 HydrophobicContact CG1-CG1 4.39Å
345	E	56	Low	77.9	Confident	78 Å²	78	38.2 Å²	38.2	36%	0.364	19%	0.191	S	C	.	.	S	Bend	trans	-69.1	-24.4	-177.6	-160.8	-179	171.8	0	0	113	F285 H347 S400	F285-E345 HydrophobicContact CE2-CB 3.89Å; F285-E345 HydrophobicContact CE2-CG 4.13Å; F285-E345 HydrophobicContact CZ-CB 3.95Å; E345-H347 PolarHBondContact O-N 2.94Å; E345-S400 PolarHBondContact N-O 3.01Å
346	D	65.9	Low	77.3	Confident	84 Å²	84	38.1 Å²	38.1	45%	0.449	20%	0.196	S	C	.	.			trans	-84.4	102.1	179.6	-168.2	-28.6	0	0	0	112.1	I344 E348 L349 A350	I344-D346 VanDerWaalsContact C-N 3.26Å; I344-D346 HydrophobicContact CG2-CB 4.16Å; I344-D346 PolarHBondContact O-N 3.15Å; D346-E348 VanDerWaalsContact C-N 3.32Å; D346-E348 PolarHBondContact O-N 2.91Å; D346-E348 WeakPolarHBondContact OD1-CA 3.47Å; D346-E348 WeakPolarHBondContact OD1-CB 3.47Å; D346-E348 PolarHBondContact OD1-N 3.47Å; D346-L349 HydrophobicContact CB-CB 3.78Å; D346-L349 PolarHBondContact O-N 2.91Å; D346-L349 PolarHBondContact OD1-N 3.19Å; D346-A350 PolarHBondContact O-N 2.85Å
347	H	73.6	Confident	76.4	Confident	24 Å²	24	39.3 Å²	39.3	11%	0.111	20%	0.204	C	C	.	.	H	α-helix	trans	-55.6	-43.7	174.6	177	80.1	0	0	0	112.9	F273 A283 G329 S339 Y341 E345 A350 H351	F273-H347 AromaticContact CZ-ND1 3.94Å; A283-H347 HydrophobicContact CB-CB 4.23Å; G329-H347 PolarHBondContact O-CE1 3.18Å; G329-H347 VanDerWaalsContact O-CE1 3.3Å; S339-H347 PolarHBondContact OG-CE1 3.49Å; S339-H347 PolarHBondContact OG-ND1 3.18Å; Y341-H347 AromaticContact CD2-CE1 3.78Å; Y341-H347 AromaticContact CD2-ND1 3.58Å; Y341-H347 AromaticContact CE2-CE1 3.74Å; E345-H347 PolarHBondContact O-N 2.94Å; H347-A350 PolarHBondContact O-N 3.39Å; H347-H351 VanDerWaalsContact O-CB 3.23Å; H347-H351 WeakPolarHBondContact O-CB 3.46Å; H347-H351 PolarHBondContact O-N 3.16Å
348	E	74.8	Confident	75.8	Confident	109 Å²	109	41 Å²	41	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-69.4	-40.9	-175.9	-67.7	-60.9	140.8	0	0	110.5	D346 H351 W352	D346-E348 VanDerWaalsContact C-N 3.32Å; D346-E348 PolarHBondContact O-N 2.91Å; D346-E348 WeakPolarHBondContact OD1-CA 3.47Å; D346-E348 WeakPolarHBondContact OD1-CB 3.47Å; D346-E348 PolarHBondContact OD1-N 3.47Å; E348-H351 WeakPolarHBondContact O-CB 3.33Å; E348-H351 PolarHBondContact O-N 3.09Å; E348-W352 WeakPolarHBondContact O-CB 3.27Å; E348-W352 VanDerWaalsContact O-CD1 3.26Å; E348-W352 PolarHBondContact O-N 2.59Å
349	L	71.4	Confident	75	Confident	76 Å²	76	46 Å²	46	40%	0.398	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-48.1	175	-176.1	64.4	0	0	0	111.4	I344 D346 H351 W352 A353 L396	I344-L349 HydrophobicContact CG2-CD2 4.12Å; D346-L349 HydrophobicContact CB-CB 3.78Å; D346-L349 PolarHBondContact O-N 2.91Å; D346-L349 PolarHBondContact OD1-N 3.19Å; L349-H351 VanDerWaalsContact C-N 3.29Å; L349-H351 PolarHBondContact O-N 3.13Å; L349-W352 PolarHBondContact O-N 3.24Å; L349-A353 PolarHBondContact O-N 2.87Å; L349-L396 HydrophobicContact CD2-CD2 4.04Å
350	A	70.5	Confident	74.3	Confident	10 Å²	10	48.8 Å²	48.8	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-36.8	176.6	0	0	0	0	0	111.8	Y341 D346 H347 A353 L354	Y341-A350 HydrophobicContact CD1-CB 4.31Å; Y341-A350 HydrophobicContact CD2-CB 3.73Å; Y341-A350 HydrophobicContact CG-CB 3.6Å; D346-A350 PolarHBondContact O-N 2.85Å; H347-A350 PolarHBondContact O-N 3.39Å; A350-A353 PolarHBondContact O-N 2.92Å; A350-L354 PolarHBondContact O-N 3.37Å
351	H	76.6	Confident	73.9	Confident	36 Å²	36	50.1 Å²	50.1	17%	0.167	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-49.1	173.9	-164.9	66.7	0	0	0	110.6	Q328 Y341 H347 E348 L349 A353 L354 A355 R358	Q328-H351 PolarHBondContact O-CE1 2.95Å; Q328-H351 VanDerWaalsContact O-CE1 3.23Å; Y341-H351 HydrophobicContact CD2-CB 4.45Å; Y341-H351 VanDerWaalsContact CE2-CA 3.42Å; Y341-H351 HydrophobicContact CE2-CB 3.58Å; Y341-H351 AromaticContact CE2-CG 3.99Å; Y341-H351 AromaticContact CE2-ND1 3.57Å; Y341-H351 AromaticContact CZ-ND1 3.6Å; Y341-H351 PolarHBondContact OH-ND1 3.23Å; H347-H351 VanDerWaalsContact O-CB 3.23Å; H347-H351 WeakPolarHBondContact O-CB 3.46Å; H347-H351 PolarHBondContact O-N 3.16Å; E348-H351 WeakPolarHBondContact O-CB 3.33Å; E348-H351 PolarHBondContact O-N 3.09Å; L349-H351 VanDerWaalsContact C-N 3.29Å; L349-H351 PolarHBondContact O-N 3.13Å; H351-A353 PolarHBondContact O-N 3.37Å; H351-L354 CarbonylContact O-C 3.34Å; H351-L354 PolarHBondContact O-N 3.4Å; H351-A355 PolarHBondContact O-N 3.48Å; H351-R358 PolarHBondContact CD2-NH2 3.03Å; H351-R358 PolarHBondContact CE1-NE 2.82Å; H351-R358 PolarHBondContact CE1-NH2 2.88Å; H351-R358 VanDerWaalsContact CE1-NH2 3.35Å; H351-R358 PolarHBondContact NE2-NH2 3.26Å; H351-R358 PolarHBondContact O-NH1 3.23Å; H351-R358 PolarHBondContact O-NH2 3.31Å
352	W	79.6	Confident	73.8	Confident	186 Å²	186	58 Å²	58	71%	0.705	29%	0.294	S	S	*	.	H	α-helix	trans	-60.3	-42.9	176.2	-89.1	107.2	0	0	0	112.8	E348 L349 L354 A355	E348-W352 WeakPolarHBondContact O-CB 3.27Å; E348-W352 VanDerWaalsContact O-CD1 3.26Å; E348-W352 PolarHBondContact O-N 2.59Å; L349-W352 PolarHBondContact O-N 3.24Å; W352-L354 PolarHBondContact O-N 3.27Å; W352-A355 HydrophobicContact CE3-CB 4.29Å; W352-A355 WeakPolarHBondContact O-CB 3.5Å; W352-A355 PolarHBondContact O-N 3.24Å
353	A	75.4	Confident	74.2	Confident	36 Å²	36	59.6 Å²	59.6	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-58.3	-32	177.5	0	0	0	0	0	112.4	L349 A350 H351 Y384 L388	L349-A353 PolarHBondContact O-N 2.87Å; A350-A353 PolarHBondContact O-N 2.92Å; H351-A353 PolarHBondContact O-N 3.37Å; A353-Y384 PolarHBondContact O-OH 3.47Å; A353-L388 HydrophobicContact CB-CD1 4.14Å; A353-L388 HydrophobicContact CB-CD2 4.26Å
354	L	81.3	Confident	74.9	Confident	7 Å²	7	62 Å²	62	4%	0.037	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	5.4	177.3	-77.4	160.9	0	0	0	114.5	I243 Y341 A350 H351 W352 P356 V357 R358 Y384 L388	I243-L354 HydrophobicContact CD1-CD1 3.73Å; I243-L354 HydrophobicContact CD1-CD2 3.83Å; I243-L354 HydrophobicContact CD1-CG 4.39Å; Y341-L354 HydrophobicContact CD1-CD1 3.6Å; Y341-L354 HydrophobicContact CE1-CB 4.4Å; Y341-L354 HydrophobicContact CE1-CD1 3.27Å; Y341-L354 HydrophobicContact CE1-CG 4.44Å; A350-L354 PolarHBondContact O-N 3.37Å; H351-L354 CarbonylContact O-C 3.34Å; H351-L354 PolarHBondContact O-N 3.4Å; W352-L354 PolarHBondContact O-N 3.27Å; L354-P356 VanDerWaalsContact C-CD 3.49Å; L354-V357 HydrophobicContact CD2-CB 4.48Å; L354-V357 HydrophobicContact CD2-CG2 4.09Å; L354-V357 PolarHBondContact O-N 3.35Å; L354-R358 PolarHBondContact O-N 2.92Å; L354-R358 PolarHBondContact O-NH1 3.46Å; L354-Y384 HydrophobicContact CD2-CD1 3.83Å; L354-Y384 HydrophobicContact CD2-CE1 3.85Å; L354-L388 HydrophobicContact CD2-CD1 4.24Å; L354-L388 HydrophobicContact CG-CD1 4.28Å
355	A	81.3	Confident	75.6	Confident	13 Å²	13	62.6 Å²	62.6	11%	0.107	33%	0.326	C	S	.	.	H	α-helix	trans	-57.2	-41	178	0	0	0	0	0	113.4	H351 W352 V357 R358 I359	H351-A355 PolarHBondContact O-N 3.48Å; W352-A355 HydrophobicContact CE3-CB 4.29Å; W352-A355 WeakPolarHBondContact O-CB 3.5Å; W352-A355 PolarHBondContact O-N 3.24Å; A355-V357 VanDerWaalsContact C-N 3.31Å; A355-V357 PolarHBondContact O-N 3.13Å; A355-R358 PolarHBondContact O-N 3.04Å; A355-R358 VanDerWaalsContact O-N 3.13Å; A355-I359 WeakPolarHBondContact O-CG1 3.47Å; A355-I359 PolarHBondContact O-N 3.12Å
356	P	83.1	Confident	76.3	Confident	70 Å²	70	62.2 Å²	62.2	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-38.9	178.1	-28	38.7	0	0	0	113.6	L354 I359 A360 Y384	L354-P356 VanDerWaalsContact C-CD 3.49Å; P356-I359 PolarHBondContact O-N 3.2Å; P356-A360 WeakPolarHBondContact O-CB 3.35Å; P356-A360 PolarHBondContact O-N 3.44Å; P356-Y384 WeakPolarHBondContact CG-OH 3.41Å
357	V	80.3	Confident	76.4	Confident	25 Å²	25	64 Å²	64	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-64.7	-43.5	176.5	175.6	0	0	0	0	110.7	I240 M241 L354 A355 A360 H361 Y384	I240-V357 HydrophobicContact CG2-CG1 4.22Å; M241-V357 HydrophobicContact CE-CG1 3.82Å; M241-V357 HydrophobicContact CE-CG2 4.46Å; M241-V357 HydrophobicContact SD-CG1 4.11Å; L354-V357 HydrophobicContact CD2-CB 4.48Å; L354-V357 HydrophobicContact CD2-CG2 4.09Å; L354-V357 PolarHBondContact O-N 3.35Å; A355-V357 VanDerWaalsContact C-N 3.31Å; A355-V357 PolarHBondContact O-N 3.13Å; V357-A360 PolarHBondContact O-N 3.02Å; V357-H361 PolarHBondContact O-N 2.89Å; V357-Y384 HydrophobicContact CG2-CD1 3.36Å; V357-Y384 HydrophobicContact CG2-CE1 3.57Å; V357-Y384 HydrophobicContact CG2-CG 3.94Å
358	R	82.3	Confident	75.5	Confident	34 Å²	34	69.3 Å²	69.3	13%	0.128	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-41	178.6	-64.8	-164.1	-62.5	-73	0.6	112.4	I240 A327 Y341 H351 L354 A355 H361 W362	I240-R358 HydrophobicContact CD1-CB 4.47Å; I240-R358 HydrophobicContact CD1-CG 3.8Å; A327-R358 WeakPolarHBondContact O-CD 3.25Å; Y341-R358 PolarHBondContact OH-NH1 3.13Å; H351-R358 PolarHBondContact CD2-NH2 3.03Å; H351-R358 PolarHBondContact CE1-NE 2.82Å; H351-R358 PolarHBondContact CE1-NH2 2.88Å; H351-R358 VanDerWaalsContact CE1-NH2 3.35Å; H351-R358 PolarHBondContact NE2-NH2 3.26Å; H351-R358 PolarHBondContact O-NH1 3.23Å; H351-R358 PolarHBondContact O-NH2 3.31Å; L354-R358 PolarHBondContact O-N 2.92Å; L354-R358 PolarHBondContact O-NH1 3.46Å; A355-R358 PolarHBondContact O-N 3.04Å; A355-R358 VanDerWaalsContact O-N 3.13Å; R358-H361 PolarHBondContact O-N 3.3Å; R358-W362 WeakPolarHBondContact O-CB 3.45Å; R358-W362 PolarHBondContact O-N 3.35Å
359	I	80.8	Confident	74.4	Confident	105 Å²	105	71.2 Å²	71.2	54%	0.538	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-45.8	176.2	-67.6	166.3	0	0	0	110	A355 P356 H361 W362 V363	A355-I359 WeakPolarHBondContact O-CG1 3.47Å; A355-I359 PolarHBondContact O-N 3.12Å; P356-I359 PolarHBondContact O-N 3.2Å; I359-H361 VanDerWaalsContact C-N 3.33Å; I359-H361 PolarHBondContact O-N 2.88Å; I359-W362 PolarHBondContact O-N 3.05Å; I359-V363 HydrophobicContact CG2-CG2 4.29Å; I359-V363 WeakPolarHBondContact O-CG2 3.42Å; I359-V363 PolarHBondContact O-N 2.69Å
360	A	76.9	Confident	73.1	Confident	60 Å²	60	72.5 Å²	72.5	50%	0.496	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-42.5	176.8	0	0	0	0	0	112.2	P356 V357 S364	P356-A360 WeakPolarHBondContact O-CB 3.35Å; P356-A360 PolarHBondContact O-N 3.44Å; V357-A360 PolarHBondContact O-N 3.02Å; A360-S364 WeakPolarHBondContact O-CB 3.49Å; A360-S364 PolarHBondContact O-N 2.98Å; A360-S364 PolarHBondContact O-OG 3.02Å
361	H	78.4	Confident	72	Confident	32 Å²	32	78.9 Å²	78.9	15%	0.148	42%	0.42	C	S	.	.	H	α-helix	trans	-60.9	-48	173.1	-176.4	-91.7	0	0	0	111.8	D238 I240 V357 R358 I359 V363 S364 S365	D238-H361 IonicContact OD2-CE1 2.69Å; I240-H361 HydrophobicContact CD1-CB 4.48Å; I240-H361 HydrophobicContact CG2-CB 4.25Å; V357-H361 PolarHBondContact O-N 2.89Å; R358-H361 PolarHBondContact O-N 3.3Å; I359-H361 VanDerWaalsContact C-N 3.33Å; I359-H361 PolarHBondContact O-N 2.88Å; H361-V363 PolarHBondContact O-N 3.25Å; H361-S364 WeakPolarHBondContact CA-OG 3.39Å; H361-S364 PolarHBondContact O-N 3.25Å; H361-S364 PolarHBondContact O-OG 3.44Å; H361-S365 WeakPolarHBondContact O-CB 3.48Å; H361-S365 PolarHBondContact O-N 3.4Å; H361-S365 PolarHBondContact O-OG 3.24Å
362	W	79.5	Confident	70.2	Confident	172 Å²	172	81.9 Å²	81.9	65%	0.652	44%	0.442	S	S	*	.	H	α-helix	trans	-59	-47.3	177.9	178	79	0	0	0	112.4	R358 I359 S365 S366	R358-W362 WeakPolarHBondContact O-CB 3.45Å; R358-W362 PolarHBondContact O-N 3.35Å; I359-W362 PolarHBondContact O-N 3.05Å; W362-S365 WeakPolarHBondContact CA-OG 3.22Å; W362-S365 PolarHBondContact O-N 2.71Å; W362-S365 PolarHBondContact O-OG 3.44Å; W362-S366 WeakPolarHBondContact O-CB 3.48Å; W362-S366 PolarHBondContact O-N 3.01Å; W362-S366 PolarHBondContact O-OG 2.84Å
363	V	75.9	Confident	68.3	Low	57 Å²	57	84.7 Å²	84.7	35%	0.345	45%	0.453	S	S	.	.	H	α-helix	trans	-61.2	-48.4	177.6	171.8	0	0	0	0	111	I359 H361 S365 S366 L367	I359-V363 HydrophobicContact CG2-CG2 4.29Å; I359-V363 WeakPolarHBondContact O-CG2 3.42Å; I359-V363 PolarHBondContact O-N 2.69Å; H361-V363 PolarHBondContact O-N 3.25Å; V363-S365 PolarHBondContact O-N 2.99Å; V363-S366 PolarHBondContact O-N 3.43Å; V363-L367 HydrophobicContact CG1-CD1 3.55Å; V363-L367 HydrophobicContact CG1-CG 4.3Å; V363-L367 WeakPolarHBondContact O-CB 3.48Å; V363-L367 WeakPolarHBondContact O-CG 3.43Å; V363-L367 PolarHBondContact O-N 2.91Å
364	S	72.1	Confident	66.7	Low	54 Å²	54	88.6 Å²	88.6	38%	0.378	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-40.6	179	61.9	0	0	0	0	112.6	A360 H361 S366 L367 F368	A360-S364 WeakPolarHBondContact O-CB 3.49Å; A360-S364 PolarHBondContact O-N 2.98Å; A360-S364 PolarHBondContact O-OG 3.02Å; H361-S364 WeakPolarHBondContact CA-OG 3.39Å; H361-S364 PolarHBondContact O-N 3.25Å; H361-S364 PolarHBondContact O-OG 3.44Å; S364-S366 VanDerWaalsContact C-N 3.26Å; S364-S366 PolarHBondContact O-N 2.92Å; S364-L367 PolarHBondContact O-N 3.32Å; S364-F368 PolarHBondContact O-N 3.14Å
365	S	71.3	Confident	64.8	Low	47 Å²	47	99.2 Å²	99.2	33%	0.329	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-27.5	176.8	70.6	0	0	0	0	113.3	H361 W362 V363	H361-S365 WeakPolarHBondContact O-CB 3.48Å; H361-S365 PolarHBondContact O-N 3.4Å; H361-S365 PolarHBondContact O-OG 3.24Å; W362-S365 WeakPolarHBondContact CA-OG 3.22Å; W362-S365 PolarHBondContact O-N 2.71Å; W362-S365 PolarHBondContact O-OG 3.44Å; V363-S365 PolarHBondContact O-N 2.99Å
366	S	71.6	Confident	63.1	Low	69 Å²	69	102.6 Å²	102.6	48%	0.483	54%	0.54	S	S	.	.	H	α-helix	trans	-84.5	-30.7	179.1	-57.5	0	0	0	0	112.9	W362 V363 S364	W362-S366 WeakPolarHBondContact O-CB 3.48Å; W362-S366 PolarHBondContact O-N 3.01Å; W362-S366 PolarHBondContact O-OG 2.84Å; V363-S366 PolarHBondContact O-N 3.43Å; S364-S366 VanDerWaalsContact C-N 3.26Å; S364-S366 PolarHBondContact O-N 2.92Å
367	L	67.4	Low	61.8	Low	123 Å²	123	101.5 Å²	101.5	64%	0.644	53%	0.529	S	S	*	.	H	α-helix	trans	-94.3	-26.4	-175.4	-67.9	176.8	0	0	0	114.2	V363 S364	V363-L367 HydrophobicContact CG1-CD1 3.55Å; V363-L367 HydrophobicContact CG1-CG 4.3Å; V363-L367 WeakPolarHBondContact O-CB 3.48Å; V363-L367 WeakPolarHBondContact O-CG 3.43Å; V363-L367 PolarHBondContact O-N 2.91Å; S364-L367 PolarHBondContact O-N 3.32Å
368	F	55.2	Low	61	Low	135 Å²	135	107.1 Å²	107.1	59%	0.592	56%	0.558	S	S	*	*			trans	-119.5	100.3	-176.2	-61.3	-79.7	0	0	0	111.5	S364 S370	S364-F368 PolarHBondContact O-N 3.14Å; F368-S370 PolarHBondContact O-N 3.39Å
369	V	51.3	Low	60.6	Low	148 Å²	148	110 Å²	110	90%	0.897	57%	0.573	S	S	*	*	S	Bend	trans	-65.1	-26.9	175.6	177.6	0	0	0	0	112
370	S	45.6	Very low	59.8	Low	103 Å²	103	106.5 Å²	106.5	72%	0.72	56%	0.563	S	S	*	*	S	Bend	trans	-102.9	97.6	175.9	-60.9	0	0	0	0	109.7	F368 P372	F368-S370 PolarHBondContact O-N 3.39Å; S370-P372 VanDerWaalsContact O-CD 3.29Å; S370-P372 WeakPolarHBondContact O-CD 3.26Å
371	R	46.8	Very low	59.1	Low	144 Å²	144	104.3 Å²	104.3	54%	0.543	54%	0.543	S	S	.	.			trans	-62.8	118.1	173.4	-68.6	-179.8	175.8	164.9	-2.7	108.9	R373	R371-R373 PolarHBondContact O-N 3.21Å
372	P	38.7	Very low	58.8	Low	99 Å²	99	105.6 Å²	105.6	64%	0.643	55%	0.549	S	S	*	.			trans	-58.6	134.7	163	24.1	-28.5	0	0	0	107	S370 V374	S370-P372 VanDerWaalsContact O-CD 3.29Å; S370-P372 WeakPolarHBondContact O-CD 3.26Å; P372-V374 PolarHBondContact O-N 3.22Å
373	R	38.8	Very low	58.6	Low	246 Å²	246	105.5 Å²	105.5	93%	0.928	55%	0.549	S	S	*	.			trans	-55.4	95.3	167.7	-85.8	-178	171.9	175.8	-2.5	106.9	R371 R375	R371-R373 PolarHBondContact O-N 3.21Å; R373-R375 PolarHBondContact O-N 2.93Å
374	V	42.4	Very low	58.3	Low	117 Å²	117	104.2 Å²	104.2	71%	0.709	54%	0.538	S	S	*	.			trans	-61.1	124.4	176.4	179.4	0	0	0	0	105.8	P372	P372-V374 PolarHBondContact O-N 3.22Å
375	R	41.4	Very low	58.1	Low	230 Å²	230	101.7 Å²	101.7	87%	0.868	52%	0.521	S	S	*	.			trans	-52	150	-178.7	-71.2	177.1	178.5	175.9	-1.2	109.8	R373 H377	R373-R375 PolarHBondContact O-N 2.93Å; R375-H377 PolarHBondContact O-N 3.14Å
376	A	44.8	Very low	57.7	Low	85 Å²	85	104.4 Å²	104.4	70%	0.702	53%	0.526	S	S	*	.			trans	-29.2	124.6	175.4	0	0	0	0	0	112.2	N378	A376-N378 PolarHBondContact O-N 2.87Å
377	H	57.3	Low	57.5	Low	46 Å²	46	104.4 Å²	104.4	21%	0.213	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-53.4	121.5	175.8	-62.2	96.1	0	0	0	108.7	F239 F242 R245 R375	F239-H377 AromaticContact CE1-CE1 3.83Å; F239-H377 AromaticContact CE1-NE2 3.75Å; F239-H377 AromaticContact CZ-NE2 3.96Å; F242-H377 HydrophobicContact CD2-CB 4.42Å; F242-H377 AromaticContact CD2-CD2 3.96Å; F242-H377 AromaticContact CD2-CE1 3.99Å; F242-H377 AromaticContact CD2-CG 3.99Å; F242-H377 AromaticContact CD2-NE2 3.98Å; R245-H377 PolarHBondContact NH1-O 2.87Å; R245-H377 VanDerWaalsContact NH1-O 3.16Å; R375-H377 PolarHBondContact O-N 3.14Å
378	N	63	Low	57.4	Low	144 Å²	144	100.7 Å²	100.7	77%	0.77	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-63.1	144	179.1	-68.9	-21.8	0	0	0	110.2	A376	A376-N378 PolarHBondContact O-N 2.87Å
379	E	74.1	Confident	57.8	Low	95 Å²	95	97.9 Å²	97.9	44%	0.444	49%	0.487	S	S	.	.	S	Bend	trans	-61.7	146.3	167.8	-71.6	-77.1	142.3	0	0	110.8	R245 D246 S247	R245-E379 IonicContact NE-OE1 2.93Å; D246-E379 WeakPolarHBondContact CA-OE2 3.46Å; S247-E379 WeakPolarHBondContact CB-OE1 3.41Å; S247-E379 PolarHBondContact N-OE1 3.38Å; S247-E379 PolarHBondContact N-OE2 2.96Å; S247-E379 VanDerWaalsContact OG-CD 3.28Å; S247-E379 PolarHBondContact OG-OE1 3.42Å
380	G	63.1	Low	58.3	Low	31 Å²	31	97.3 Å²	97.3	32%	0.32	48%	0.475	S	S	.	.	S	Bend	trans	95.5	-178.4	177.9	0	0	0	0	0	115.2	R245	R245-G380 WeakPolarHBondContact O-CA 3.45Å; R245-G380 PolarHBondContact O-N 3.25Å
381	V	62.8	Low	58.9	Low	14 Å²	14	96.5 Å²	96.5	9%	0.085	46%	0.462	C	S	.	.			trans	-71.6	131.8	-179.7	178.9	0	0	0	0	111.1	D244 K386 Y389 Y409	D244-V381 HydrophobicContact CB-CG2 4.3Å; D244-V381 WeakPolarHBondContact OD1-CG2 3.48Å; V381-K386 HydrophobicContact CB-CG 4.37Å; V381-K386 HydrophobicContact CG1-CG 3.91Å; V381-K386 WeakPolarHBondContact O-CE 3.21Å; V381-Y389 HydrophobicContact CG1-CE2 3.94Å; V381-Y409 HydrophobicContact CG2-CE2 4.09Å; V381-Y409 WeakPolarHBondContact CG2-OH 3.48Å
382	H	72.6	Confident	59.2	Low	59 Å²	59	90.3 Å²	90.3	27%	0.273	44%	0.443	S	S	.	.			trans	-60.9	141.7	177.1	-170.8	-93.3	0	0	0	111.5	I243 Y384 S385 K386	I243-H382 PolarHBondContact O-N 2.96Å; H382-Y384 PolarHBondContact ND1-N 3.31Å; H382-Y384 PolarHBondContact O-N 2.77Å; H382-Y384 VanDerWaalsContact O-N 3.16Å; H382-S385 WeakPolarHBondContact O-CB 3.28Å; H382-S385 PolarHBondContact O-N 2.97Å; H382-S385 PolarHBondContact O-OG 3.39Å; H382-S385 VanDerWaalsContact O-OG 3.11Å; H382-K386 PolarHBondContact O-N 3.48Å
383	W	74.1	Confident	60	Low	170 Å²	170	90.1 Å²	90.1	64%	0.644	44%	0.44	S	S	*	.	H	α-helix	trans	-57.3	-36.2	-173.2	70.6	-92.5	0	0	0	113	S385 K386 L387	W383-S385 VanDerWaalsContact C-N 3.31Å; W383-S385 PolarHBondContact O-N 2.75Å; W383-K386 WeakPolarHBondContact O-CB 3.42Å; W383-K386 PolarHBondContact O-N 3.48Å; W383-L387 HydrophobicContact CZ3-CD2 4.3Å; W383-L387 PolarHBondContact O-N 3.24Å; W383-L387 VanDerWaalsContact O-N 3.07Å
384	Y	69.9	Low	60.6	Low	29 Å²	29	88.5 Å²	88.5	11%	0.114	43%	0.434	C	S	.	.	H	α-helix	trans	-65.9	-37.2	-179.9	-173.8	-110.4	0	0	0	111.5	A353 L354 P356 V357 H382 L387 L388	A353-Y384 PolarHBondContact O-OH 3.47Å; L354-Y384 HydrophobicContact CD2-CD1 3.83Å; L354-Y384 HydrophobicContact CD2-CE1 3.85Å; P356-Y384 WeakPolarHBondContact CG-OH 3.41Å; V357-Y384 HydrophobicContact CG2-CD1 3.36Å; V357-Y384 HydrophobicContact CG2-CE1 3.57Å; V357-Y384 HydrophobicContact CG2-CG 3.94Å; H382-Y384 PolarHBondContact ND1-N 3.31Å; H382-Y384 PolarHBondContact O-N 2.77Å; H382-Y384 VanDerWaalsContact O-N 3.16Å; Y384-L387 WeakPolarHBondContact O-CB 3.42Å; Y384-L387 PolarHBondContact O-N 3.19Å; Y384-L388 HydrophobicContact CD1-CD1 3.84Å; Y384-L388 HydrophobicContact CD1-CG 4.2Å; Y384-L388 HydrophobicContact CE1-CD1 3.48Å; Y384-L388 VanDerWaalsContact CE1-CD1 3.48Å; Y384-L388 HydrophobicContact CE1-CD2 4.28Å; Y384-L388 HydrophobicContact CE1-CG 3.87Å; Y384-L388 WeakPolarHBondContact O-CG 3.41Å; Y384-L388 PolarHBondContact O-N 2.79Å
385	S	67.3	Low	60.9	Low	2 Å²	2	88.7 Å²	88.7	1%	0.014	43%	0.431	C	S	.	.	H	α-helix	trans	-64.4	-42.8	173.8	-24	0	0	0	0	110.5	I243 H382 W383 L387 L388 Y389	I243-S385 WeakPolarHBondContact CG1-OG 3.31Å; I243-S385 PolarHBondContact O-OG 2.98Å; H382-S385 WeakPolarHBondContact O-CB 3.28Å; H382-S385 PolarHBondContact O-N 2.97Å; H382-S385 PolarHBondContact O-OG 3.39Å; H382-S385 VanDerWaalsContact O-OG 3.11Å; W383-S385 VanDerWaalsContact C-N 3.31Å; W383-S385 PolarHBondContact O-N 2.75Å; S385-L387 VanDerWaalsContact C-N 3.28Å; S385-L387 PolarHBondContact O-N 2.92Å; S385-L388 PolarHBondContact O-N 3.47Å; S385-L388 VanDerWaalsContact O-N 3.15Å; S385-Y389 VanDerWaalsContact C-CD2 3.45Å; S385-Y389 WeakPolarHBondContact O-CB 3.43Å; S385-Y389 WeakPolarHBondContact O-CD2 3.37Å; S385-Y389 VanDerWaalsContact O-CG 3.23Å; S385-Y389 PolarHBondContact O-N 3.11Å
386	K	64.3	Low	61.4	Low	103 Å²	103	80.1 Å²	80.1	45%	0.448	40%	0.402	S	S	.	.	H	α-helix	trans	-56.7	-42.3	175.1	-63.1	-176.5	179.3	179	0	111.9	V381 H382 W383 Y389 Q390	V381-K386 HydrophobicContact CB-CG 4.37Å; V381-K386 HydrophobicContact CG1-CG 3.91Å; V381-K386 WeakPolarHBondContact O-CE 3.21Å; H382-K386 PolarHBondContact O-N 3.48Å; W383-K386 WeakPolarHBondContact O-CB 3.42Å; W383-K386 PolarHBondContact O-N 3.48Å; K386-Y389 PolarHBondContact O-N 3.36Å; K386-Q390 WeakPolarHBondContact O-CG 3.46Å; K386-Q390 PolarHBondContact O-N 3.27Å; K386-Q390 VanDerWaalsContact O-N 3.09Å
387	L	67.2	Low	61.6	Low	70 Å²	70	82.1 Å²	82.1	37%	0.366	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-47.2	174.4	178.6	67	0	0	0	112	W383 Y384 S385 Y389 Q390 L391	W383-L387 HydrophobicContact CZ3-CD2 4.3Å; W383-L387 PolarHBondContact O-N 3.24Å; W383-L387 VanDerWaalsContact O-N 3.07Å; Y384-L387 WeakPolarHBondContact O-CB 3.42Å; Y384-L387 PolarHBondContact O-N 3.19Å; S385-L387 VanDerWaalsContact C-N 3.28Å; S385-L387 PolarHBondContact O-N 2.92Å; L387-Y389 VanDerWaalsContact C-N 3.26Å; L387-Y389 PolarHBondContact O-N 2.89Å; L387-Q390 PolarHBondContact O-N 3.48Å; L387-L391 HydrophobicContact CD1-CD1 4.39Å; L387-L391 HydrophobicContact CG-CD1 4.2Å; L387-L391 WeakPolarHBondContact O-CG 3.43Å; L387-L391 PolarHBondContact O-N 3.36Å
388	L	65.4	Low	61.2	Low	44 Å²	44	86.6 Å²	86.6	23%	0.23	43%	0.426	C	S	.	.	H	α-helix	trans	-60.4	-37	176.7	-73.4	-179.3	0	0	0	111.9	A353 L354 Y384 S385 L391 G392	A353-L388 HydrophobicContact CB-CD1 4.14Å; A353-L388 HydrophobicContact CB-CD2 4.26Å; L354-L388 HydrophobicContact CD2-CD1 4.24Å; L354-L388 HydrophobicContact CG-CD1 4.28Å; Y384-L388 HydrophobicContact CD1-CD1 3.84Å; Y384-L388 HydrophobicContact CD1-CG 4.2Å; Y384-L388 HydrophobicContact CE1-CD1 3.48Å; Y384-L388 VanDerWaalsContact CE1-CD1 3.48Å; Y384-L388 HydrophobicContact CE1-CD2 4.28Å; Y384-L388 HydrophobicContact CE1-CG 3.87Å; Y384-L388 WeakPolarHBondContact O-CG 3.41Å; Y384-L388 PolarHBondContact O-N 2.79Å; S385-L388 PolarHBondContact O-N 3.47Å; S385-L388 VanDerWaalsContact O-N 3.15Å; L388-L391 PolarHBondContact O-N 2.93Å; L388-G392 PolarHBondContact O-N 3.17Å
389	Y	63.2	Low	60.5	Low	76 Å²	76	86.5 Å²	86.5	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-46.6	174.5	-69	-50.4	0	0	0	111.7	V343 V381 S385 K386 L387 L391 G392 T393	V343-Y389 HydrophobicContact CG1-CE1 4.49Å; V343-Y389 HydrophobicContact CG2-CE1 4.41Å; V381-Y389 HydrophobicContact CG1-CE2 3.94Å; S385-Y389 VanDerWaalsContact C-CD2 3.45Å; S385-Y389 WeakPolarHBondContact O-CB 3.43Å; S385-Y389 WeakPolarHBondContact O-CD2 3.37Å; S385-Y389 VanDerWaalsContact O-CG 3.23Å; S385-Y389 PolarHBondContact O-N 3.11Å; K386-Y389 PolarHBondContact O-N 3.36Å; L387-Y389 VanDerWaalsContact C-N 3.26Å; L387-Y389 PolarHBondContact O-N 2.89Å; Y389-L391 VanDerWaalsContact C-N 3.26Å; Y389-L391 PolarHBondContact O-N 3.19Å; Y389-G392 PolarHBondContact O-N 2.99Å; Y389-T393 PolarHBondContact O-N 2.91Å; Y389-T393 VanDerWaalsContact O-N 3.12Å; Y389-T393 PolarHBondContact O-OG1 2.9Å
390	Q	60.8	Low	59.4	Low	137 Å²	137	84.2 Å²	84.2	64%	0.64	42%	0.415	S	S	*	.	H	α-helix	trans	-62.2	-32.3	176.6	-73.5	177.4	-18.5	0	0	113.2	K386 L387 T393	K386-Q390 WeakPolarHBondContact O-CG 3.46Å; K386-Q390 PolarHBondContact O-N 3.27Å; K386-Q390 VanDerWaalsContact O-N 3.09Å; L387-Q390 PolarHBondContact O-N 3.48Å; Q390-T393 PolarHBondContact O-OG1 3.39Å
391	L	57.8	Low	59	Low	85 Å²	85	83.7 Å²	83.7	45%	0.445	41%	0.405	S	S	.	.	H	α-helix	trans	-79.4	-39	176.2	-67.6	172.4	0	0	0	111.6	L387 L388 Y389 T393 W394 L395	L387-L391 HydrophobicContact CD1-CD1 4.39Å; L387-L391 HydrophobicContact CG-CD1 4.2Å; L387-L391 WeakPolarHBondContact O-CG 3.43Å; L387-L391 PolarHBondContact O-N 3.36Å; L388-L391 PolarHBondContact O-N 2.93Å; Y389-L391 VanDerWaalsContact C-N 3.26Å; Y389-L391 PolarHBondContact O-N 3.19Å; L391-T393 PolarHBondContact O-N 3.43Å; L391-W394 PolarHBondContact O-N 2.98Å; L391-W394 VanDerWaalsContact O-N 3.13Å; L391-L395 PolarHBondContact O-N 2.86Å
392	G	54.6	Low	58.4	Low	15 Å²	15	83.4 Å²	83.4	16%	0.155	40%	0.403	C	S	.	.	H	α-helix	trans	-62.4	-39.9	179.7	0	0	0	0	0	113.2	L388 Y389 W394 L395 L396	L388-G392 PolarHBondContact O-N 3.17Å; Y389-G392 PolarHBondContact O-N 2.99Å; G392-W394 PolarHBondContact O-N 3.4Å; G392-L395 PolarHBondContact O-N 3.44Å; G392-L396 PolarHBondContact O-N 3.38Å
393	T	54.7	Low	57.5	Low	94 Å²	94	84.7 Å²	84.7	58%	0.577	42%	0.416	S	S	*	.	H	α-helix	trans	-61.2	-23.9	174.4	49.4	0	0	0	0	113.6	Y389 Q390 L391 M406	Y389-T393 PolarHBondContact O-N 2.91Å; Y389-T393 VanDerWaalsContact O-N 3.12Å; Y389-T393 PolarHBondContact O-OG1 2.9Å; Q390-T393 PolarHBondContact O-OG1 3.39Å; L391-T393 PolarHBondContact O-N 3.43Å; T393-M406 HydrophobicContact CG2-CE 3.23Å
394	W	50.8	Low	56.5	Low	212 Å²	212	77.1 Å²	77.1	80%	0.803	39%	0.389	S	S	*	.	H	α-helix	trans	-92.9	-23.8	-178.1	-169.4	67.8	0	0	0	113.2	L391 G392	L391-W394 PolarHBondContact O-N 2.98Å; L391-W394 VanDerWaalsContact O-N 3.13Å; G392-W394 PolarHBondContact O-N 3.4Å
395	L	49.2	Very low	55.3	Low	121 Å²	121	76.2 Å²	76.2	63%	0.634	39%	0.388	S	S	*	.	H	α-helix	trans	-114.8	-24.4	-166.9	-90	139.7	0	0	0	115.5	L391 G392	L391-L395 PolarHBondContact O-N 2.86Å; G392-L395 PolarHBondContact O-N 3.44Å
396	L	51.5	Low	54.4	Low	51 Å²	51	79.5 Å²	79.5	27%	0.267	40%	0.404	S	S	.	.	S	Bend	trans	-105.4	139.8	-171.9	-62.8	174	0	0	0	112.2	I344 L349 G392 I401	I344-L396 HydrophobicContact CD1-CD1 3.67Å; I344-L396 HydrophobicContact CG1-CD1 4.27Å; L349-L396 HydrophobicContact CD2-CD2 4.04Å; G392-L396 PolarHBondContact O-N 3.38Å; L396-I401 HydrophobicContact CB-CD1 4.14Å; L396-I401 HydrophobicContact CD1-CD1 4.47Å
397	D	49.9	Very low	53.4	Low	126 Å²	126	76 Å²	76	67%	0.674	39%	0.393	S	S	*	.			trans	-65.3	139.1	172.7	-74.1	-28.1	0	0	0	110.8	H399 S400	D397-H399 PolarHBondContact O-N 2.92Å; D397-S400 PolarHBondContact O-N 3.42Å; D397-S400 PolarHBondContact O-OG 3.09Å
398	D	48.2	Very low	52	Low	140 Å²	140	74.9 Å²	74.9	75%	0.749	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-20	-176.5	-77.7	-21.7	0	0	0	115.4
399	H	48	Very low	50.5	Low	143 Å²	143	79.7 Å²	79.7	66%	0.662	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-15.2	179.6	-64.3	-39.4	0	0	0	114.7	D397 I401	D397-H399 PolarHBondContact O-N 2.92Å; H399-I401 VanDerWaalsContact C-N 3.25Å
400	S	50.9	Low	48.9	Very low	47 Å²	47	81.9 Å²	81.9	33%	0.329	43%	0.432	S	S	.	.	S	Bend	trans	-84.2	-8	-179.6	-45.5	0	0	0	0	112.4	I344 E345 D397	I344-S400 WeakPolarHBondContact CA-O 3.17Å; E345-S400 PolarHBondContact N-O 3.01Å; D397-S400 PolarHBondContact O-N 3.42Å; D397-S400 PolarHBondContact O-OG 3.09Å
401	I	55.2	Low	47.3	Very low	19 Å²	19	84.4 Å²	84.4	10%	0.097	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-117.6	134.3	-170.4	-60.8	168.2	0	0	0	109.4	V343 I344 L396 H399 M406	V343-I401 HydrophobicContact CG1-CG2 3.65Å; V343-I401 CarbonylContact O-C 3.52Å; V343-I401 WeakPolarHBondContact O-CA 3.43Å; I344-I401 HydrophobicContact CG1-CG1 4.39Å; L396-I401 HydrophobicContact CB-CD1 4.14Å; L396-I401 HydrophobicContact CD1-CD1 4.47Å; H399-I401 VanDerWaalsContact C-N 3.25Å; I401-M406 HydrophobicContact CB-CG 4.45Å; I401-M406 HydrophobicContact CD1-CE 4.3Å; I401-M406 HydrophobicContact CD1-SD 4.46Å; I401-M406 HydrophobicContact CG2-CG 3.2Å; I401-M406 HydrophobicContact CG2-SD 3.81Å
402	H	51.4	Low	46.8	Very low	8 Å²	8	84.4 Å²	84.4	4%	0.037	47%	0.466	C	S	.	.			trans	-59.7	132.9	176.9	-167.2	-112.5	0	0	0	110.2	A269 F285 S287 V343 L404 G405	A269-H402 HydrophobicContact CB-CB 4.09Å; A269-H402 VanDerWaalsContact CB-ND1 3.3Å; A269-H402 WeakPolarHBondContact CB-ND1 3.29Å; F285-H402 HydrophobicContact CD1-CB 4.08Å; F285-H402 AromaticContact CD1-CD2 3.88Å; F285-H402 HydrophobicContact CD2-CB 4.32Å; F285-H402 AromaticContact CD2-CD2 3.43Å; F285-H402 VanDerWaalsContact CD2-CD2 3.43Å; F285-H402 WeakPolarHBondContact CD2-CD2 3.34Å; F285-H402 HydrophobicContact CE1-CB 3.66Å; F285-H402 HydrophobicContact CE2-CB 3.91Å; F285-H402 AromaticContact CE2-CD2 3.86Å; F285-H402 HydrophobicContact CG-CB 4.4Å; F285-H402 AromaticContact CG-CD2 3.44Å; F285-H402 VanDerWaalsContact CG-CD2 3.44Å; F285-H402 WeakPolarHBondContact CG-CD2 3.39Å; F285-H402 HydrophobicContact CZ-CB 3.56Å; S287-H402 PolarHBondContact OG-NE2 2.84Å; V343-H402 PolarHBondContact O-N 3.37Å; H402-L404 VanDerWaalsContact CE1-CD1 3.42Å; H402-L404 WeakPolarHBondContact CE1-CD1 3.49Å; H402-L404 VanDerWaalsContact ND1-CB 3.35Å; H402-L404 WeakPolarHBondContact ND1-CB 3.32Å; H402-L404 PolarHBondContact ND1-N 3.38Å; H402-L404 PolarHBondContact O-N 3.17Å; H402-G405 PolarHBondContact O-N 3.42Å
403	P	52.2	Low	46.4	Very low	86 Å²	86	88 Å²	88	56%	0.558	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-13.1	-179.1	-25.7	34	0	0	0	114.9	R102	R102-P403 PolarHBondContact NH1-O 3.36Å
404	L	53.3	Low	45.9	Very low	12 Å²	12	87.7 Å²	87.7	6%	0.063	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	3.3	-177.9	-44.4	170.4	0	0	0	113.4	K187 A193 A194 A268 H402	K187-L404 HydrophobicContact CD-CD2 3.73Å; A193-L404 HydrophobicContact CB-CB 4.47Å; A193-L404 HydrophobicContact CB-CD1 3.44Å; A193-L404 VanDerWaalsContact CB-CD1 3.44Å; A193-L404 HydrophobicContact CB-CD2 3.91Å; A193-L404 HydrophobicContact CB-CG 4.13Å; A193-L404 WeakPolarHBondContact O-CB 3.34Å; A193-L404 VanDerWaalsContact O-O 3.04Å; A194-L404 CarbonylContact C-O 3.51Å; A268-L404 HydrophobicContact CB-CD1 4.24Å; H402-L404 VanDerWaalsContact CE1-CD1 3.42Å; H402-L404 WeakPolarHBondContact CE1-CD1 3.49Å; H402-L404 VanDerWaalsContact ND1-CB 3.35Å; H402-L404 WeakPolarHBondContact ND1-CB 3.32Å; H402-L404 PolarHBondContact ND1-N 3.38Å; H402-L404 PolarHBondContact O-N 3.17Å
405	G	45	Very low	45.6	Very low	9 Å²	9	80.4 Å²	80.4	9%	0.093	46%	0.458	C	S	.	.	S	Bend	trans	-89.6	-9.4	178.4	0	0	0	0	0	114.6	H402	H402-G405 PolarHBondContact O-N 3.42Å
406	M	49.5	Very low	45.4	Very low	71 Å²	71	77.8 Å²	77.8	35%	0.35	45%	0.447	S	S	.	.	S	Bend	trans	-118.4	2.6	-168.4	-64.2	-64.9	-78.9	0	0	115.5	V343 T393 I401 A408	V343-M406 HydrophobicContact CG1-CG 4.37Å; V343-M406 HydrophobicContact CG1-SD 3.86Å; T393-M406 HydrophobicContact CG2-CE 3.23Å; I401-M406 HydrophobicContact CB-CG 4.45Å; I401-M406 HydrophobicContact CD1-CE 4.3Å; I401-M406 HydrophobicContact CD1-SD 4.46Å; I401-M406 HydrophobicContact CG2-CG 3.2Å; I401-M406 HydrophobicContact CG2-SD 3.81Å; M406-A408 PolarHBondContact O-N 3.44Å
407	S	42.2	Very low	45	Very low	31 Å²	31	79.6 Å²	79.6	22%	0.217	46%	0.459	C	S	.	.			trans	-86.2	10.5	-176.8	102.2	0	0	0	0	114.1	A194	A194-S407 VanDerWaalsContact CB-OG 3.22Å; A194-S407 WeakPolarHBondContact CB-OG 3.35Å; A194-S407 WeakPolarHBondContact O-CB 3.08Å; A194-S407 PolarHBondContact O-OG 3.28Å
408	A	38.9	Very low	44.6	Very low	45 Å²	45	76.3 Å²	76.3	37%	0.372	44%	0.444	S	S	.	.			trans	-96.2	99.5	173.5	0	0	0	0	0	108.9	M406	M406-A408 PolarHBondContact O-N 3.44Å
409	Y	33.8	Very low	44.4	Very low	146 Å²	146	71.4 Å²	71.4	57%	0.573	42%	0.42	S	S	*	.			trans	134.8	126.7	139.2	-64.5	-62.8	0	0	0	112.9	V381	V381-Y409 HydrophobicContact CG2-CE2 4.09Å; V381-Y409 WeakPolarHBondContact CG2-OH 3.48Å
410	P	28.1	Very low	44.1	Very low	121 Å²	121	65.4 Å²	65.4	79%	0.786	40%	0.4	S	S	*	.			trans	-63.3	140.7	173.4	27.8	-32	0	0	0	109.7
411	S	28.1	Very low	43.4	Very low	190 Å²	190	67.1 Å²	67.1	100%	1.329	41%	0.407	S	S	*	.			trans	-55.1	0	161.3	50.7	0	0	0	0	112

Retrieved 411 of 411 residues in 794.8 ms (Link to these results)

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