A0A096NWF2_PAPAN 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 (A0A5F7ZJT0), UniProt , Accession A0A096NWF2, Species PAPAN (Papio anubis, Olive baboon), Gene SHH, Length 465 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	58	Low	70.8	Confident	219 Å²	219	121 Å²	121	100%	1.079	65%	0.645	S	S	*	*				0	-34	0	-78.9	-167.3	-71.4	0	0	113.8
2	G	64.7	Low	71.4	Confident	59 Å²	59	120.3 Å²	120.3	61%	0.608	64%	0.64	S	S	*	*	H	α-helix	trans	-64.9	-37.7	-178.8	0	0	0	0	0	115.6	L5 L6	G2-L5 PolarHBondContact O-N 2.82Å; G2-L6 PolarHBondContact O-N 2.8Å
3	E	65.6	Low	72	Confident	166 Å²	166	119.9 Å²	119.9	78%	0.776	64%	0.638	S	S	*	*	H	α-helix	trans	-69.4	-37.5	-177.5	-65.2	-168.5	152.1	0	0	113.7	L5 L6 L7	E3-L5 VanDerWaalsContact C-N 3.29Å; E3-L5 PolarHBondContact O-N 3.02Å; E3-L6 PolarHBondContact O-N 3.33Å; E3-L7 PolarHBondContact O-N 3.39Å
4	M	66.4	Low	72.5	Confident	155 Å²	155	118.4 Å²	118.4	76%	0.764	64%	0.635	S	S	*	*	H	α-helix	trans	-67.4	-31.3	175.7	-69.4	-134.2	-63.4	0	0	112.4	A8	M4-A8 WeakPolarHBondContact O-CB 3.42Å; M4-A8 PolarHBondContact O-N 3.08Å
5	L	69.1	Low	72.7	Confident	97 Å²	97	117.1 Å²	117.1	51%	0.508	63%	0.627	S	S	.	*	H	α-helix	trans	-72.8	-33.3	176.7	-157.9	77.1	0	0	0	111.7	G2 E3 R9	G2-L5 PolarHBondContact O-N 2.82Å; E3-L5 VanDerWaalsContact C-N 3.29Å; E3-L5 PolarHBondContact O-N 3.02Å; L5-R9 WeakPolarHBondContact O-CB 3.09Å; L5-R9 VanDerWaalsContact O-CG 3.27Å; L5-R9 WeakPolarHBondContact O-CG 3.44Å; L5-R9 PolarHBondContact O-N 3.2Å; L5-R9 VanDerWaalsContact O-N 3.08Å
6	L	74.4	Confident	72.8	Confident	118 Å²	118	114.1 Å²	114.1	62%	0.618	61%	0.614	S	S	*	*	H	α-helix	trans	-68.3	-46.1	175.2	-160.5	79.8	0	0	0	110.9	G2 E3 A8 R9 C10	G2-L6 PolarHBondContact O-N 2.8Å; E3-L6 PolarHBondContact O-N 3.33Å; L6-A8 PolarHBondContact O-N 2.88Å; L6-R9 PolarHBondContact O-N 3.28Å; L6-C10 PolarHBondContact O-N 3.41Å; L6-C10 PolarHBondContact O-SG 3.4Å; L6-C10 VanDerWaalsContact O-SG 3.34Å
7	L	73.6	Confident	72.6	Confident	113 Å²	113	111.6 Å²	111.6	59%	0.592	61%	0.607	S	S	*	*	H	α-helix	trans	-59.2	-44	174.6	-95.2	156.2	0	0	0	112.3	E3 R9 C10 L11	E3-L7 PolarHBondContact O-N 3.39Å; L7-R9 VanDerWaalsContact C-N 3.35Å; L7-R9 PolarHBondContact O-N 2.76Å; L7-C10 PolarHBondContact O-N 2.79Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.38Å; L7-L11 PolarHBondContact O-N 2.85Å
8	A	73.4	Confident	72.2	Confident	55 Å²	55	109.4 Å²	109.4	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-63.5	-39.3	177.1	0	0	0	0	0	112.3	M4 L6 L11 L12	M4-A8 WeakPolarHBondContact O-CB 3.42Å; M4-A8 PolarHBondContact O-N 3.08Å; L6-A8 PolarHBondContact O-N 2.88Å; A8-L11 PolarHBondContact O-N 2.83Å; A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 3.12Å
9	R	78.7	Confident	71.8	Confident	162 Å²	162	110.8 Å²	110.8	61%	0.611	61%	0.608	S	S	*	*	H	α-helix	trans	-68.8	-39.4	176.1	-74.4	173	178.5	-175.1	-0.4	112.3	L5 L6 L7 L12 L13	L5-R9 WeakPolarHBondContact O-CB 3.09Å; L5-R9 VanDerWaalsContact O-CG 3.27Å; L5-R9 WeakPolarHBondContact O-CG 3.44Å; L5-R9 PolarHBondContact O-N 3.2Å; L5-R9 VanDerWaalsContact O-N 3.08Å; L6-R9 PolarHBondContact O-N 3.28Å; L7-R9 VanDerWaalsContact C-N 3.35Å; L7-R9 PolarHBondContact O-N 2.76Å; R9-L12 PolarHBondContact O-N 2.81Å; R9-L13 WeakPolarHBondContact O-CB 3.3Å; R9-L13 PolarHBondContact O-N 2.91Å
10	C	78.7	Confident	71.3	Confident	70 Å²	70	111.8 Å²	111.8	47%	0.473	61%	0.611	S	S	.	*	H	α-helix	trans	-64	-44.1	174.2	-71.2	0	0	0	0	111.5	L6 L7 L12 L13 V14	L6-C10 PolarHBondContact O-N 3.41Å; L6-C10 PolarHBondContact O-SG 3.4Å; L6-C10 VanDerWaalsContact O-SG 3.34Å; L7-C10 PolarHBondContact O-N 2.79Å; C10-L12 PolarHBondContact O-N 3.02Å; C10-L13 PolarHBondContact O-N 2.97Å; C10-V14 WeakPolarHBondContact O-CG2 3.41Å; C10-V14 PolarHBondContact O-N 3.41Å
11	L	76.7	Confident	70.8	Confident	117 Å²	117	111.7 Å²	111.7	61%	0.613	61%	0.614	S	S	*	*	H	α-helix	trans	-64	-40.1	176.2	-77.6	165.4	0	0	0	112	L7 A8 V14 L15	L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.38Å; L7-L11 PolarHBondContact O-N 2.85Å; A8-L11 PolarHBondContact O-N 2.83Å; L11-V14 PolarHBondContact O-N 3.17Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 PolarHBondContact O-N 3.03Å
12	L	77.8	Confident	70.7	Confident	112 Å²	112	106.5 Å²	106.5	59%	0.586	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-40.1	175.6	-160.2	85.1	0	0	0	111.5	A8 R9 C10 L15 V16	A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 3.12Å; R9-L12 PolarHBondContact O-N 2.81Å; C10-L12 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.32Å; L12-V16 PolarHBondContact O-N 3.06Å
13	L	79.1	Confident	70.3	Confident	116 Å²	116	109.6 Å²	109.6	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-63.8	-42.5	174.9	-108	151.7	0	0	0	111.9	R9 C10 V16 S17	R9-L13 WeakPolarHBondContact O-CB 3.3Å; R9-L13 PolarHBondContact O-N 2.91Å; C10-L13 PolarHBondContact O-N 2.97Å; L13-V16 PolarHBondContact O-N 3.01Å; L13-S17 VanDerWaalsContact O-CB 3.25Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.95Å
14	V	78.6	Confident	69.9	Low	99 Å²	99	104.3 Å²	104.3	60%	0.6	60%	0.6	S	S	*	*	H	α-helix	trans	-64.9	-41.8	175.4	172.2	0	0	0	0	110.9	C10 L11 S17 S18	C10-V14 WeakPolarHBondContact O-CG2 3.41Å; C10-V14 PolarHBondContact O-N 3.41Å; L11-V14 PolarHBondContact O-N 3.17Å; V14-S17 PolarHBondContact O-N 3.33Å; V14-S18 WeakPolarHBondContact O-CB 3.38Å; V14-S18 PolarHBondContact O-N 3.23Å; V14-S18 PolarHBondContact O-OG 3.43Å
15	L	75.2	Confident	69.5	Low	99 Å²	99	105.4 Å²	105.4	52%	0.518	61%	0.609	S	S	.	*	H	α-helix	trans	-63.8	-46.7	177.2	-164.4	87.2	0	0	0	111.3	L11 L12 S18 L19	L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.29Å; L15-S18 PolarHBondContact O-N 2.91Å; L15-S18 PolarHBondContact O-OG 3.47Å; L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.33Å
16	V	75.1	Confident	68.9	Low	68 Å²	68	104.9 Å²	104.9	41%	0.412	62%	0.618	S	S	.	*	H	α-helix	trans	-67.9	-39.9	178.9	171.7	0	0	0	0	111.1	L12 L13 S18 L19 L20	L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.32Å; L12-V16 PolarHBondContact O-N 3.06Å; L13-V16 PolarHBondContact O-N 3.01Å; V16-S18 VanDerWaalsContact C-N 3.33Å; V16-S18 PolarHBondContact O-N 3.34Å; V16-L19 PolarHBondContact O-N 3.03Å; V16-L20 HydrophobicContact CG1-CD1 3.68Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 WeakPolarHBondContact O-CD1 3.34Å; V16-L20 WeakPolarHBondContact O-CG 3.41Å; V16-L20 PolarHBondContact O-N 3.46Å
17	S	68.6	Low	68.6	Low	72 Å²	72	105.5 Å²	105.5	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-63.6	-36.8	172.1	-81.4	0	0	0	0	112.3	L13 V14 L19 L20 V21	L13-S17 VanDerWaalsContact O-CB 3.25Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.95Å; V14-S17 PolarHBondContact O-N 3.33Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L20 PolarHBondContact O-N 3.34Å; S17-V21 WeakPolarHBondContact O-CG2 3.23Å; S17-V21 PolarHBondContact O-N 2.91Å
18	S	65.7	Low	68.3	Low	72 Å²	72	102.6 Å²	102.6	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-69.1	-30.7	176.5	74.3	0	0	0	0	113.2	V14 L15 V16	V14-S18 WeakPolarHBondContact O-CB 3.38Å; V14-S18 PolarHBondContact O-N 3.23Å; V14-S18 PolarHBondContact O-OG 3.43Å; L15-S18 PolarHBondContact O-N 2.91Å; L15-S18 PolarHBondContact O-OG 3.47Å; V16-S18 VanDerWaalsContact C-N 3.33Å; V16-S18 PolarHBondContact O-N 3.34Å
19	L	64.3	Low	68.2	Low	137 Å²	137	106.7 Å²	106.7	72%	0.717	65%	0.65	S	S	*	*	H	α-helix	trans	-79.7	-21	175.8	-71.9	162.6	0	0	0	113	L15 V16 S17	L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.33Å; V16-L19 PolarHBondContact O-N 3.03Å; S17-L19 VanDerWaalsContact C-N 3.33Å
20	L	61.4	Low	67.8	Low	129 Å²	129	102 Å²	102	68%	0.675	65%	0.653	S	S	*	*	S	Bend	trans	-95.2	1	177.9	-74.4	164.2	0	0	0	113.6	V16 S17 C22	V16-L20 HydrophobicContact CG1-CD1 3.68Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 WeakPolarHBondContact O-CD1 3.34Å; V16-L20 WeakPolarHBondContact O-CG 3.41Å; V16-L20 PolarHBondContact O-N 3.46Å; S17-L20 PolarHBondContact O-N 3.34Å; L20-C22 VanDerWaalsContact C-N 3.28Å; L20-C22 PolarHBondContact O-N 2.71Å
21	V	61.4	Low	67.4	Low	110 Å²	110	110.4 Å²	110.4	67%	0.667	67%	0.674	S	S	*	*			trans	-69.4	91.4	167	-176.4	0	0	0	0	107.6	S17 S23	S17-V21 WeakPolarHBondContact O-CG2 3.23Å; S17-V21 PolarHBondContact O-N 2.91Å; V21-S23 PolarHBondContact O-N 3.09Å
22	C	56.9	Low	67	Low	111 Å²	111	108.2 Å²	108.2	75%	0.75	68%	0.68	S	S	*	*			trans	-49.4	132	166.2	-77.2	0	0	0	0	109.3	L20 G24	L20-C22 VanDerWaalsContact C-N 3.28Å; L20-C22 PolarHBondContact O-N 2.71Å; C22-G24 PolarHBondContact O-N 2.96Å
23	S	56.5	Low	66.3	Low	123 Å²	123	113.5 Å²	113.5	86%	0.86	70%	0.699	S	S	*	*			trans	-65.7	53.2	167	-46.5	0	0	0	0	111.5	V21	V21-S23 PolarHBondContact O-N 3.09Å
24	G	56.5	Low	65.7	Low	56 Å²	56	111.2 Å²	111.2	58%	0.577	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	123.1	169.5	0	0	0	0	0	108.2	C22	C22-G24 PolarHBondContact O-N 2.96Å
25	L	57.9	Low	64.8	Low	178 Å²	178	115.3 Å²	115.3	93%	0.932	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.4	28.9	-178.6	-49.6	174.6	0	0	0	117.1
26	A	56.7	Low	64.4	Low	86 Å²	86	121.2 Å²	121.2	71%	0.711	73%	0.729	S	S	*	*			trans	-86	104.2	150.9	0	0	0	0	0	108.2	G28	A26-G28 PolarHBondContact O-N 3.04Å
27	C	67	Low	63.7	Low	130 Å²	130	127.8 Å²	127.8	88%	0.878	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-54.6	124.6	158.6	-67.6	0	0	0	0	106.5
28	G	68	Low	63.4	Low	52 Å²	52	131 Å²	131	54%	0.536	75%	0.752	S	S	.	*	P	Polyproline II helix	trans	-51.9	170.1	174.7	0	0	0	0	0	111.7	A26 G30	A26-G28 PolarHBondContact O-N 3.04Å; G28-G30 PolarHBondContact O-N 3Å
29	P	71.6	Confident	63.7	Low	141 Å²	141	132.8 Å²	132.8	92%	0.916	76%	0.762	S	S	*	*	S	Bend	trans	-47.3	118.9	-178.7	23	-33.6	0	0	0	108.3
30	G	69.8	Low	64.2	Low	65 Å²	65	131.8 Å²	131.8	67%	0.67	75%	0.753	S	S	*	*			trans	-56.6	176	-168.4	0	0	0	0	0	112.6	G28 G32	G28-G30 PolarHBondContact O-N 3Å; G30-G32 PolarHBondContact O-N 2.81Å
31	R	70	Confident	65.2	Low	245 Å²	245	134.5 Å²	134.5	93%	0.925	76%	0.759	S	S	*	*			trans	-50.5	111.5	177.7	-87.2	-178	173.9	167.2	-1	110.5	F33	R31-F33 PolarHBondContact O-N 2.96Å
32	G	67.9	Low	66.6	Low	72 Å²	72	131.9 Å²	131.9	74%	0.742	74%	0.741	S	S	*	*			trans	-60.9	128.8	174.2	0	0	0	0	0	110	G30 G34	G30-G32 PolarHBondContact O-N 2.81Å; G32-G34 PolarHBondContact O-N 2.91Å; G32-G34 VanDerWaalsContact O-N 3.14Å
33	F	64.1	Low	68.3	Low	223 Å²	223	129.7 Å²	129.7	98%	0.978	72%	0.724	S	S	*	*			trans	-73.8	102.8	171	-65.8	-81.2	0	0	0	108.4	R31	R31-F33 PolarHBondContact O-N 2.96Å
34	G	65.7	Low	70.2	Confident	68 Å²	68	127.5 Å²	127.5	70%	0.701	71%	0.707	S	S	*	*			trans	-154	118.6	176.8	0	0	0	0	0	109.9	G32 R36	G32-G34 PolarHBondContact O-N 2.91Å; G32-G34 VanDerWaalsContact O-N 3.14Å; G34-R36 PolarHBondContact O-N 3.21Å
35	K	60.6	Low	72.1	Confident	184 Å²	184	125.1 Å²	125.1	80%	0.8	68%	0.681	S	S	*	*			trans	-81	113.6	171.7	-168.9	175.2	-179.3	179.6	0	107.7	R37 H38	K35-R37 PolarHBondContact O-N 3.03Å; K35-H38 WeakPolarHBondContact CE-NE2 3.41Å
36	R	67.6	Low	74	Confident	224 Å²	224	119.4 Å²	119.4	85%	0.845	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-57	130.2	172.1	-174.3	177.8	-180	179.9	1	108.3	G34 H38	G34-R36 PolarHBondContact O-N 3.21Å; R36-H38 PolarHBondContact O-N 3.05Å; R36-H38 VanDerWaalsContact O-N 3.16Å
37	R	60.3	Low	76	Confident	206 Å²	206	120.9 Å²	120.9	78%	0.777	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.1	122.8	173.2	-170.6	174.1	179.4	169.8	-1	108	K35 D451	K35-R37 PolarHBondContact O-N 3.03Å; R37-D451 IonicContact NH2-OD1 2.67Å
38	H	61.2	Low	77.4	Confident	138 Å²	138	119.2 Å²	119.2	64%	0.639	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-71.6	127	177.2	-69.7	-78.2	0	0	0	108.3	K35 R36	K35-H38 WeakPolarHBondContact CE-NE2 3.41Å; R36-H38 PolarHBondContact O-N 3.05Å; R36-H38 VanDerWaalsContact O-N 3.16Å
39	P	72.7	Confident	78.8	Confident	110 Å²	110	120.4 Å²	120.4	71%	0.714	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-62.1	150.2	172	27.2	-33.1	0	0	0	109.5	K41	P39-K41 PolarHBondContact O-N 2.83Å
40	K	75	Confident	79.9	Confident	117 Å²	117	116.6 Å²	116.6	51%	0.509	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-54.2	125.8	174.7	-170.1	177.4	-177.3	-176.5	0	108.7	L42 E170	K40-L42 PolarHBondContact O-N 3.36Å; K40-L42 VanDerWaalsContact O-N 3.16Å; K40-E170 WeakPolarHBondContact CE-OE2 3.49Å; K40-E170 IonicContact NZ-OE1 3.79Å; K40-E170 IonicContact NZ-OE2 3.56Å; K40-E170 PolarHBondContact NZ-OE2 2.85Å
41	K	81.9	Confident	80.7	Confident	185 Å²	185	115.3 Å²	115.3	80%	0.804	56%	0.563	S	S	*	*			trans	-73.1	108.8	-177.5	-173	179.1	179.7	-178.6	0	109.3	P39 T43	P39-K41 PolarHBondContact O-N 2.83Å; K41-T43 PolarHBondContact O-N 2.78Å
42	L	90	Very high	81.5	Confident	56 Å²	56	105.8 Å²	105.8	29%	0.293	53%	0.533	S	S	.	.			trans	-81.8	108.4	176.2	-60.1	-178.6	0	0	0	109.8	K40 M163 R166 L167 E170	K40-L42 PolarHBondContact O-N 3.36Å; K40-L42 VanDerWaalsContact O-N 3.16Å; L42-M163 HydrophobicContact CB-CE 4.31Å; L42-M163 HydrophobicContact CB-SD 4.03Å; L42-M163 HydrophobicContact CD1-SD 4.49Å; L42-R166 HydrophobicContact CB-CG 3.86Å; L42-R166 HydrophobicContact CD2-CG 4.06Å; L42-R166 HydrophobicContact CG-CG 4.47Å; L42-L167 HydrophobicContact CD1-CD2 4Å; L42-E170 HydrophobicContact CD2-CG 3.69Å
43	T	93.4	Very high	82.7	Confident	65 Å²	65	108.9 Å²	108.9	40%	0.399	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-94.7	119.1	174.9	49.4	0	0	0	0	110	K41 R166	K41-T43 PolarHBondContact O-N 2.78Å; T43-R166 WeakPolarHBondContact O-CB 3.48Å; T43-R166 PolarHBondContact O-NE 3.32Å; T43-R166 PolarHBondContact O-NH2 2.84Å; T43-R166 PolarHBondContact OG1-NH2 3.3Å; T43-R166 VanDerWaalsContact OG1-NH2 3.16Å
44	P	96.1	Very high	83.8	Confident	77 Å²	77	101.1 Å²	101.1	50%	0.5	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-61.2	145.2	178.9	26.6	-34	0	0	0	110.5	G162 M163	P44-G162 CarbonylContact C-O 3.51Å; P44-G162 VanDerWaalsContact CA-O 3.26Å; P44-G162 WeakPolarHBondContact CA-O 3.43Å; P44-M163 HydrophobicContact CB-CB 4.46Å
45	L	97.4	Very high	85	Confident	6 Å²	6	101 Å²	101	3%	0.031	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-72.2	141	174.3	-81.6	65.1	0	0	0	109.6	Q49 I51 G162 A165 R166 V169 V176	L45-Q49 HydrophobicContact CB-CB 4.43Å; L45-I51 HydrophobicContact CD1-CD1 3.86Å; L45-I51 HydrophobicContact CD2-CB 4.47Å; L45-I51 HydrophobicContact CD2-CD1 4.13Å; L45-I51 HydrophobicContact CD2-CG1 4.02Å; L45-I51 HydrophobicContact CG-CD1 3.93Å; L45-I51 HydrophobicContact CG-CG1 4.3Å; L45-G162 PolarHBondContact N-O 2.92Å; L45-G162 VanDerWaalsContact O-CA 3.32Å; L45-G162 WeakPolarHBondContact O-CA 3.18Å; L45-A165 HydrophobicContact CB-CB 3.99Å; L45-A165 HydrophobicContact CD1-CB 4.25Å; L45-A165 HydrophobicContact CD2-CB 3.96Å; L45-A165 HydrophobicContact CG-CB 4.28Å; L45-R166 HydrophobicContact CD1-CB 3.96Å; L45-V169 HydrophobicContact CD1-CG2 4.43Å; L45-V176 HydrophobicContact CD2-CG1 4.23Å
46	A	97.4	Very high	86.5	Confident	58 Å²	58	93.5 Å²	93.5	48%	0.479	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-74.2	157.8	171	0	0	0	0	0	111	K48 Q49 Y178	A46-K48 PolarHBondContact O-N 2.89Å; A46-Q49 HydrophobicContact CB-CB 4.24Å; A46-Q49 WeakPolarHBondContact O-CB 3.48Å; A46-Q49 PolarHBondContact O-N 2.93Å; A46-Y178 WeakPolarHBondContact O-CB 3.29Å; A46-Y178 WeakPolarHBondContact O-CD2 3.35Å
47	Y	97.4	Very high	87.6	Confident	116 Å²	116	86 Å²	86	46%	0.455	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135.9	173	178	-123.7	0	0	0	110.5	Q49 Y178 K181	Y47-Q49 PolarHBondContact O-N 3.19Å; Y47-Y178 HydrophobicContact CD2-CD1 4.08Å; Y47-Y178 HydrophobicContact CD2-CE1 4.25Å; Y47-Y178 HydrophobicContact CD2-CG 4.44Å; Y47-K181 HydrophobicContact CD2-CG 4.41Å; Y47-K181 HydrophobicContact CE2-CG 4.03Å
48	K	97.3	Very high	88.3	Confident	96 Å²	96	78.7 Å²	78.7	42%	0.417	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	7	-173.4	-60	-62.2	-164.9	178.8	0	116.1	A46 Y177 Y178 E179	A46-K48 PolarHBondContact O-N 2.89Å; K48-Y177 HydrophobicContact CD-CE2 4.2Å; K48-Y177 WeakPolarHBondContact CD-OH 3.39Å; K48-Y177 PolarHBondContact NZ-OH 2.6Å; K48-Y178 VanDerWaalsContact CA-O 3.31Å; K48-Y178 WeakPolarHBondContact CA-O 3.41Å; K48-Y178 PolarHBondContact N-O 2.81Å; K48-E179 WeakPolarHBondContact CE-O 3.46Å; K48-E179 PolarHBondContact NZ-O 3.21Å
49	Q	97.1	Very high	88.6	Confident	77 Å²	77	75.1 Å²	75.1	36%	0.36	40%	0.401	S	S	.	.			trans	-81	142.1	171.5	-171	178.1	5.1	0	0	110.8	L45 A46 Y47 Y178	L45-Q49 HydrophobicContact CB-CB 4.43Å; A46-Q49 HydrophobicContact CB-CB 4.24Å; A46-Q49 WeakPolarHBondContact O-CB 3.48Å; A46-Q49 PolarHBondContact O-N 2.93Å; Y47-Q49 PolarHBondContact O-N 3.19Å; Q49-Y178 PolarHBondContact O-N 3.4Å
50	F	95.9	Very high	88.3	Confident	61 Å²	61	72.6 Å²	72.6	27%	0.268	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.8	170	47.5	-89.6	0	0	0	111.9	N53 V54 W175 V176 Y177	F50-N53 VanDerWaalsContact CE2-OD1 3.26Å; F50-N53 WeakPolarHBondContact CE2-OD1 3.27Å; F50-V54 WeakPolarHBondContact CD2-O 3.36Å; F50-W175 HydrophobicContact CB-CH2 4.17Å; F50-W175 HydrophobicContact CB-CZ2 3.43Å; F50-W175 VanDerWaalsContact CB-CZ2 3.43Å; F50-W175 HydrophobicContact CD1-CZ2 4.2Å; F50-W175 AromaticContact CD2-CZ2 3.91Å; F50-W175 HydrophobicContact CD2-CZ2 3.91Å; F50-W175 AromaticContact CD2-NE1 3.77Å; F50-W175 AromaticContact CG-CZ2 3.58Å; F50-W175 HydrophobicContact CG-CZ2 3.58Å; F50-V176 CarbonylContact C-O 3.49Å; F50-V176 WeakPolarHBondContact CA-O 3.33Å; F50-V176 WeakPolarHBondContact CB-O 3.45Å; F50-Y177 HydrophobicContact CB-CD2 3.8Å; F50-Y177 HydrophobicContact CB-CG 4.15Å; F50-Y177 AromaticContact CD1-CD2 3.9Å; F50-Y177 HydrophobicContact CD1-CD2 3.9Å; F50-Y177 HydrophobicContact CD1-CE2 4.07Å; F50-Y177 HydrophobicContact CG-CD2 4.34Å
51	I	85	Confident	88.8	Confident	37 Å²	37	67 Å²	67	19%	0.19	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.8	178.2	-63.5	-174.2	0	0	0	108.7	L45 V169 W175 V176	L45-I51 HydrophobicContact CD1-CD1 3.86Å; L45-I51 HydrophobicContact CD2-CB 4.47Å; L45-I51 HydrophobicContact CD2-CD1 4.13Å; L45-I51 HydrophobicContact CD2-CG1 4.02Å; L45-I51 HydrophobicContact CG-CD1 3.93Å; L45-I51 HydrophobicContact CG-CG1 4.3Å; I51-V169 HydrophobicContact CB-CG2 3.92Å; I51-V169 HydrophobicContact CD1-CG2 4.41Å; I51-V169 HydrophobicContact CG2-CG1 3.97Å; I51-V169 HydrophobicContact CG2-CG2 4.01Å; I51-W175 WeakPolarHBondContact O-CA 3.24Å; I51-V176 PolarHBondContact N-O 2.78Å; I51-V176 PolarHBondContact O-N 3.08Å
52	P	88.2	Confident	89.1	Confident	45 Å²	45	58.2 Å²	58.2	29%	0.292	33%	0.333	S	S	.	.	S	Bend	cis	-63.5	156.2	-8	26.2	-33.2	0	0	0	112.2	V54 G60 A61 D174 W175	P52-V54 HydrophobicContact CB-CG2 4.16Å; P52-V54 HydrophobicContact CG-CG2 3.89Å; P52-V54 PolarHBondContact O-N 3.43Å; P52-G60 WeakPolarHBondContact CG-O 3.44Å; P52-A61 HydrophobicContact CG-CB 4.11Å; P52-D174 WeakPolarHBondContact CD-O 3.34Å; P52-W175 PolarHBondContact O-NE1 3.09Å
53	N	93.3	Very high	88.6	Confident	137 Å²	137	55.6 Å²	55.6	73%	0.733	32%	0.319	S	S	*	.	S	Bend	trans	-75.9	59.5	-177.3	-171.2	21.1	0	0	0	112.1	F50	F50-N53 VanDerWaalsContact CE2-OD1 3.26Å; F50-N53 WeakPolarHBondContact CE2-OD1 3.27Å
54	V	86	Confident	88.2	Confident	61 Å²	61	59.4 Å²	59.4	37%	0.37	33%	0.326	S	S	.	.	S	Bend	trans	-141.7	162.2	174.3	-65.5	0	0	0	0	107.5	F50 P52 T58 A61 W175	F50-V54 WeakPolarHBondContact CD2-O 3.36Å; P52-V54 HydrophobicContact CB-CG2 4.16Å; P52-V54 HydrophobicContact CG-CG2 3.89Å; P52-V54 PolarHBondContact O-N 3.43Å; V54-T58 VanDerWaalsContact CG2-OG1 3.29Å; V54-T58 WeakPolarHBondContact CG2-OG1 3.49Å; V54-A61 HydrophobicContact CG2-CB 3.87Å; V54-W175 PolarHBondContact O-NE1 3.03Å
55	A	90.6	Very high	87.8	Confident	64 Å²	64	58.8 Å²	58.8	53%	0.529	31%	0.314	S	S	.	.			trans	-63.6	144.7	177.8	0	0	0	0	0	111.5	K57 T58	A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 2.94Å; A55-T58 HydrophobicContact CB-CG2 3.93Å; A55-T58 VanDerWaalsContact O-CB 3.31Å; A55-T58 WeakPolarHBondContact O-CB 3.36Å; A55-T58 VanDerWaalsContact O-CG2 3.28Å; A55-T58 WeakPolarHBondContact O-CG2 3.41Å; A55-T58 PolarHBondContact O-N 3.5Å; A55-T58 PolarHBondContact O-OG1 3.49Å
56	E	92.4	Very high	87.3	Confident	28 Å²	28	62.5 Å²	62.5	13%	0.131	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-50.4	-174.9	-178.4	-172.6	-160	0	0	113.1	T58 A61 S62 G63 L142 W175 H185 S187	E56-T58 PolarHBondContact O-N 3.37Å; E56-T58 VanDerWaalsContact O-N 3.11Å; E56-A61 VanDerWaalsContact O-CB 3.22Å; E56-A61 WeakPolarHBondContact O-CB 3.35Å; E56-S62 PolarHBondContact O-N 2.88Å; E56-G63 PolarHBondContact O-N 2.86Å; E56-L142 HydrophobicContact CG-CD1 4.1Å; E56-L142 WeakPolarHBondContact OE1-CD1 3.25Å; E56-W175 HydrophobicContact CB-CD2 3.68Å; E56-W175 HydrophobicContact CB-CE3 3.7Å; E56-W175 HydrophobicContact CB-CG 4.25Å; E56-W175 HydrophobicContact CB-CH2 4Å; E56-W175 HydrophobicContact CB-CZ2 4.01Å; E56-W175 HydrophobicContact CB-CZ3 3.84Å; E56-W175 HydrophobicContact CG-CB 4.46Å; E56-W175 HydrophobicContact CG-CD2 3.84Å; E56-W175 HydrophobicContact CG-CE3 3.57Å; E56-W175 HydrophobicContact CG-CG 4.24Å; E56-W175 HydrophobicContact CG-CZ3 4Å; E56-H185 IonicContact OE1-CE1 3.58Å; E56-H185 IonicContact OE1-NE2 3.69Å; E56-H185 PolarHBondContact OE1-NE2 2.99Å; E56-H185 VanDerWaalsContact OE1-NE2 3.07Å; E56-S187 WeakPolarHBondContact CG-OG 3.5Å; E56-S187 VanDerWaalsContact OE1-CB 3.29Å; E56-S187 WeakPolarHBondContact OE1-CB 3.48Å; E56-S187 PolarHBondContact OE1-OG 2.79Å
57	K	90.2	Very high	86.9	Confident	65 Å²	65	60.7 Å²	60.7	28%	0.283	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	8.2	-174.5	-66.4	-174.7	-87.3	-89.1	0	114.3	A55 G63 R64 E140	A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 2.94Å; K57-G63 VanDerWaalsContact CA-O 3.3Å; K57-G63 WeakPolarHBondContact CA-O 3.28Å; K57-G63 CarbonylContact O-C 3.57Å; K57-R64 PolarHBondContact O-N 2.93Å; K57-E140 HydrophobicContact CD-CB 4.18Å; K57-E140 WeakPolarHBondContact CE-OE2 3.34Å; K57-E140 PolarHBondContact NZ-O 3.3Å
58	T	75.1	Confident	86.7	Confident	54 Å²	54	59.4 Å²	59.4	33%	0.331	32%	0.315	S	S	.	.	S	Bend	trans	-81.3	154.9	173.9	67.8	0	0	0	0	111.1	V54 A55 E56 G60 A61 G63	V54-T58 VanDerWaalsContact CG2-OG1 3.29Å; V54-T58 WeakPolarHBondContact CG2-OG1 3.49Å; A55-T58 HydrophobicContact CB-CG2 3.93Å; A55-T58 VanDerWaalsContact O-CB 3.31Å; A55-T58 WeakPolarHBondContact O-CB 3.36Å; A55-T58 VanDerWaalsContact O-CG2 3.28Å; A55-T58 WeakPolarHBondContact O-CG2 3.41Å; A55-T58 PolarHBondContact O-N 3.5Å; A55-T58 PolarHBondContact O-OG1 3.49Å; E56-T58 PolarHBondContact O-N 3.37Å; E56-T58 VanDerWaalsContact O-N 3.11Å; T58-G60 PolarHBondContact O-N 3.48Å; T58-A61 CarbonylContact O-C 3.6Å; T58-A61 PolarHBondContact O-N 2.82Å; T58-G63 VanDerWaalsContact O-CA 3.28Å; T58-G63 WeakPolarHBondContact O-CA 3.36Å; T58-G63 PolarHBondContact O-N 2.92Å
59	L	67.4	Low	86.5	Confident	62 Å²	62	55 Å²	55	33%	0.325	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.7	-179.7	-67.1	169	0	0	0	113.7	A61 K189 L340	L59-A61 PolarHBondContact O-N 3.32Å; L59-K189 PolarHBondContact O-NZ 2.93Å; L59-L340 HydrophobicContact CB-CD1 4.47Å; L59-L340 HydrophobicContact CD1-CD1 3.46Å; L59-L340 VanDerWaalsContact CD1-CD1 3.46Å; L59-L340 HydrophobicContact CD1-CD2 3.3Å; L59-L340 HydrophobicContact CD1-CG 3.95Å
60	G	67.8	Low	86.4	Confident	58 Å²	58	53.4 Å²	53.4	60%	0.598	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.3	171.3	0	0	0	0	0	113.7	P52 T58	P52-G60 WeakPolarHBondContact CG-O 3.44Å; T58-G60 PolarHBondContact O-N 3.48Å
61	A	84	Confident	86.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-133.3	-178.5	0	0	0	0	0	109.8	P52 V54 E56 T58 L59 G63 D174 W175 K189	P52-A61 HydrophobicContact CG-CB 4.11Å; V54-A61 HydrophobicContact CG2-CB 3.87Å; E56-A61 VanDerWaalsContact O-CB 3.22Å; E56-A61 WeakPolarHBondContact O-CB 3.35Å; T58-A61 CarbonylContact O-C 3.6Å; T58-A61 PolarHBondContact O-N 2.82Å; L59-A61 PolarHBondContact O-N 3.32Å; A61-G63 VanDerWaalsContact C-N 3.28Å; A61-G63 PolarHBondContact O-N 3.29Å; A61-D174 WeakPolarHBondContact CA-O 3.42Å; A61-W175 HydrophobicContact CB-CB 4.03Å; A61-W175 VanDerWaalsContact CB-CD1 3.42Å; A61-W175 HydrophobicContact CB-CG 3.96Å; A61-K189 WeakPolarHBondContact O-CE 2.97Å; A61-K189 PolarHBondContact O-NZ 3.44Å
62	S	88.3	Confident	86.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.5	-178.2	-61	0	0	0	0	113.8	E56 L142 R147 W175 S187 K189	E56-S62 PolarHBondContact O-N 2.88Å; S62-L142 VanDerWaalsContact CB-CD1 3.45Å; S62-R147 PolarHBondContact O-NH2 3.36Å; S62-W175 VanDerWaalsContact OG-CB 3.23Å; S62-W175 WeakPolarHBondContact OG-CB 3.26Å; S62-S187 WeakPolarHBondContact CB-OG 3.48Å; S62-S187 WeakPolarHBondContact OG-CB 3.37Å; S62-S187 PolarHBondContact OG-O 2.71Å; S62-S187 PolarHBondContact OG-OG 2.8Å; S62-K189 VanDerWaalsContact O-CA 3.24Å; S62-K189 WeakPolarHBondContact O-CA 3.43Å
63	G	81	Confident	86.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.328	C	S	.	.			trans	75	177.5	178.6	0	0	0	0	0	113.2	E56 K57 T58 A61	E56-G63 PolarHBondContact O-N 2.86Å; K57-G63 VanDerWaalsContact CA-O 3.3Å; K57-G63 WeakPolarHBondContact CA-O 3.28Å; K57-G63 CarbonylContact O-C 3.57Å; T58-G63 VanDerWaalsContact O-CA 3.28Å; T58-G63 WeakPolarHBondContact O-CA 3.36Å; T58-G63 PolarHBondContact O-N 2.92Å; A61-G63 VanDerWaalsContact C-N 3.28Å; A61-G63 PolarHBondContact O-N 3.29Å
64	R	83.8	Confident	86.3	Confident	145 Å²	145	61.4 Å²	61.4	55%	0.547	33%	0.325	S	S	.	.			trans	-64.1	154.4	-167.1	-63.7	-173.7	-174.9	167.3	6.7	113	K57 R147 R341	K57-R64 PolarHBondContact O-N 2.93Å; R64-R147 PolarHBondContact O-NH1 2.88Å; R64-R341 VanDerWaalsContact NH2-CZ 3.29Å
65	Y	89.2	Confident	86.2	Confident	65 Å²	65	61.2 Å²	61.2	26%	0.255	32%	0.317	S	S	.	.			trans	-68.1	130.5	161.2	174.3	-103.7	0	0	0	109	G67 K68 E140 L142 E145	Y65-G67 VanDerWaalsContact CZ-CA 3.44Å; Y65-K68 VanDerWaalsContact CZ-N 3.35Å; Y65-K68 WeakPolarHBondContact OH-CB 3.19Å; Y65-K68 PolarHBondContact OH-N 3.34Å; Y65-E140 HydrophobicContact CD1-CB 4.18Å; Y65-E140 HydrophobicContact CD1-CG 4.12Å; Y65-E140 HydrophobicContact CE1-CG 4.48Å; Y65-E140 HydrophobicContact CG-CB 4.09Å; Y65-L142 HydrophobicContact CD2-CD2 4.49Å; Y65-E145 WeakPolarHBondContact CA-OE1 3.45Å; Y65-E145 HydrophobicContact CD2-CG 4.31Å; Y65-E145 WeakPolarHBondContact CD2-OE1 3.45Å; Y65-E145 HydrophobicContact CE2-CG 4.24Å; Y65-E145 WeakPolarHBondContact CE2-OE1 3.4Å
66	E	85.6	Confident	86.2	Confident	84 Å²	84	60.3 Å²	60.3	39%	0.393	30%	0.301	S	S	.	.			trans	-100.6	-17.4	179.2	-64.3	-173.9	167.3	0	0	112.5	R75 E145 A190	E66-R75 IonicContact OE2-NH2 2.64Å; E66-R75 PolarHBondContact OE2-NH2 3.47Å; E66-E145 WeakPolarHBondContact CA-OE1 3.26Å; E66-E145 PolarHBondContact N-OE1 2.83Å; E66-A190 HydrophobicContact CG-CB 4.41Å; E66-A190 WeakPolarHBondContact OE1-CB 3.3Å
67	G	88.5	Confident	86	Confident	19 Å²	19	66.3 Å²	66.3	20%	0.196	33%	0.327	C	S	.	.			trans	128.4	144.6	178	0	0	0	0	0	112.8	Y65 I69 R75 E145	Y65-G67 VanDerWaalsContact CZ-CA 3.44Å; G67-I69 PolarHBondContact O-N 3.24Å; G67-R75 PolarHBondContact O-NH1 3.29Å; G67-E145 PolarHBondContact N-OE1 2.86Å; G67-E145 VanDerWaalsContact O-CG 3.3Å; G67-E145 WeakPolarHBondContact O-CG 3.48Å
68	K	94.4	Very high	85.7	Confident	90 Å²	90	67 Å²	67	39%	0.391	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-56.2	128.9	-179.7	175.1	163.4	-176.6	172.6	0	110.8	Y65 E133 Y144	Y65-K68 VanDerWaalsContact CZ-N 3.35Å; Y65-K68 WeakPolarHBondContact OH-CB 3.19Å; Y65-K68 PolarHBondContact OH-N 3.34Å; K68-E133 PolarHBondContact NZ-O 2.91Å; K68-Y144 HydrophobicContact CB-CG 4.49Å; K68-Y144 HydrophobicContact CD-CD1 4.12Å; K68-Y144 HydrophobicContact CD-CG 4.12Å; K68-Y144 HydrophobicContact CG-CG 4.28Å
69	I	93.6	Very high	86.6	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-89.8	117.6	171.3	-60.8	-180	0	0	0	106.7	G67 R75 F76 L79 W131 Y144 E145	G67-I69 PolarHBondContact O-N 3.24Å; I69-R75 HydrophobicContact CD1-CB 4.12Å; I69-R75 HydrophobicContact CG1-CB 3.98Å; I69-R75 HydrophobicContact CG2-CB 4.41Å; I69-F76 HydrophobicContact CG2-CB 4.08Å; I69-F76 HydrophobicContact CG2-CD2 4.2Å; I69-L79 HydrophobicContact CD1-CD2 4.15Å; I69-L79 HydrophobicContact CD1-CG 4.33Å; I69-L79 HydrophobicContact CG2-CD1 4.05Å; I69-W131 VanDerWaalsContact O-CZ2 3.24Å; I69-W131 WeakPolarHBondContact O-CZ2 3.16Å; I69-W131 PolarHBondContact O-NE1 3.14Å; I69-Y144 PolarHBondContact N-O 2.86Å; I69-E145 HydrophobicContact CD1-CB 4.35Å
70	S	93.5	Very high	87.7	Confident	44 Å²	44	63.9 Å²	63.9	31%	0.308	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-98.1	157	169.9	60.5	0	0	0	0	110.3	N72 S73	S70-N72 WeakPolarHBondContact CB-OD1 3.41Å; S70-N72 PolarHBondContact O-N 2.69Å; S70-N72 PolarHBondContact OG-OD1 3.42Å; S70-S73 PolarHBondContact N-OG 3.38Å; S70-S73 WeakPolarHBondContact O-CB 3.42Å; S70-S73 PolarHBondContact O-N 3.49Å; S70-S73 PolarHBondContact O-OG 3.49Å; S70-S73 WeakPolarHBondContact OG-CB 3.37Å
71	R	91.1	Very high	89	Confident	129 Å²	129	63.5 Å²	63.5	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.6	-178.8	-171.2	171.4	-91.5	-93	6.2	114.3	F76 W131 E133	R71-F76 HydrophobicContact CG-CE1 4.46Å; R71-F76 HydrophobicContact CG-CE2 4.4Å; R71-F76 HydrophobicContact CG-CZ 4.21Å; R71-W131 HydrophobicContact CB-CH2 4.11Å; R71-E133 IonicContact NE-OE1 3.76Å
72	N	91	Very high	89.7	Confident	143 Å²	143	63.6 Å²	63.6	77%	0.765	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	2.5	178.8	64.9	-18	0	0	0	114.2	S70	S70-N72 WeakPolarHBondContact CB-OD1 3.41Å; S70-N72 PolarHBondContact O-N 2.69Å; S70-N72 PolarHBondContact OG-OD1 3.42Å
73	S	91	Very high	90.1	Very high	33 Å²	33	71.5 Å²	71.5	23%	0.231	33%	0.333	C	S	.	.	S	Bend	trans	-82.6	152.7	179.6	70.3	0	0	0	0	112.1	S70 R75 F76	S70-S73 PolarHBondContact N-OG 3.38Å; S70-S73 WeakPolarHBondContact O-CB 3.42Å; S70-S73 PolarHBondContact O-N 3.49Å; S70-S73 PolarHBondContact O-OG 3.49Å; S70-S73 WeakPolarHBondContact OG-CB 3.37Å; S73-R75 PolarHBondContact O-N 3.37Å; S73-F76 WeakPolarHBondContact O-CB 3.34Å; S73-F76 PolarHBondContact O-N 3.13Å; S73-F76 PolarHBondContact OG-N 3.23Å
74	E	87.3	Confident	90.7	Very high	143 Å²	143	72.9 Å²	72.9	67%	0.668	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-59.8	-34.9	174.4	-72.9	-61	146.1	0	0	112.4	F76 K77	E74-F76 PolarHBondContact O-N 2.96Å; E74-K77 WeakPolarHBondContact O-CB 3.4Å; E74-K77 PolarHBondContact O-N 2.67Å; E74-K77 IonicContact OE1-NZ 3.08Å; E74-K77 IonicContact OE2-NZ 3.62Å; E74-K77 PolarHBondContact OE2-NZ 3.42Å
75	R	84.6	Confident	91.2	Very high	58 Å²	58	70.9 Å²	70.9	22%	0.219	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-68.1	-14.5	177.6	-68.6	-176.6	64.4	-152.1	-0.3	113.4	E66 G67 I69 S73 K77 E78 E145	E66-R75 IonicContact OE2-NH2 2.64Å; E66-R75 PolarHBondContact OE2-NH2 3.47Å; G67-R75 PolarHBondContact O-NH1 3.29Å; I69-R75 HydrophobicContact CD1-CB 4.12Å; I69-R75 HydrophobicContact CG1-CB 3.98Å; I69-R75 HydrophobicContact CG2-CB 4.41Å; S73-R75 PolarHBondContact O-N 3.37Å; R75-K77 PolarHBondContact O-N 2.72Å; R75-E78 IonicContact NE-OE2 3.66Å; R75-E78 WeakPolarHBondContact O-CB 3.41Å; R75-E78 WeakPolarHBondContact O-CG 3.28Å; R75-E78 PolarHBondContact O-N 3.09Å; R75-E145 IonicContact NH2-OE2 3.11Å
76	F	91.6	Very high	91.5	Very high	44 Å²	44	70.2 Å²	70.2	19%	0.193	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-60.4	-30	173.8	-172.5	-104.9	0	0	0	112.2	I69 R71 S73 E74 E78 L79 L100 W131	I69-F76 HydrophobicContact CG2-CB 4.08Å; I69-F76 HydrophobicContact CG2-CD2 4.2Å; R71-F76 HydrophobicContact CG-CE1 4.46Å; R71-F76 HydrophobicContact CG-CE2 4.4Å; R71-F76 HydrophobicContact CG-CZ 4.21Å; S73-F76 WeakPolarHBondContact O-CB 3.34Å; S73-F76 PolarHBondContact O-N 3.13Å; S73-F76 PolarHBondContact OG-N 3.23Å; E74-F76 PolarHBondContact O-N 2.96Å; F76-E78 PolarHBondContact O-N 2.78Å; F76-L79 HydrophobicContact CD2-CD1 4.17Å; F76-L79 HydrophobicContact CE2-CD1 4.38Å; F76-L79 WeakPolarHBondContact O-CB 3.29Å; F76-L79 PolarHBondContact O-N 3.06Å; F76-L79 VanDerWaalsContact O-N 3.08Å; F76-L100 HydrophobicContact CE2-CD1 3.69Å; F76-L100 HydrophobicContact CZ-CD1 3.6Å; F76-W131 AromaticContact CD2-CH2 3.96Å; F76-W131 HydrophobicContact CD2-CH2 3.96Å; F76-W131 AromaticContact CD2-CZ2 3.99Å; F76-W131 HydrophobicContact CD2-CZ2 3.99Å; F76-W131 HydrophobicContact CE2-CE3 4.27Å; F76-W131 AromaticContact CE2-CH2 3.45Å; F76-W131 HydrophobicContact CE2-CH2 3.45Å; F76-W131 VanDerWaalsContact CE2-CH2 3.45Å; F76-W131 AromaticContact CE2-CZ2 3.91Å; F76-W131 HydrophobicContact CE2-CZ2 3.91Å; F76-W131 AromaticContact CE2-CZ3 3.65Å; F76-W131 HydrophobicContact CE2-CZ3 3.65Å; F76-W131 HydrophobicContact CZ-CH2 4.49Å; F76-W131 HydrophobicContact CZ-CZ3 4.48Å
77	K	86.7	Confident	92.1	Very high	154 Å²	154	66.6 Å²	66.6	67%	0.67	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16.5	175.7	-61	170.9	-175.5	164.7	0	113.1	E74 R75 L79	E74-K77 WeakPolarHBondContact O-CB 3.4Å; E74-K77 PolarHBondContact O-N 2.67Å; E74-K77 IonicContact OE1-NZ 3.08Å; E74-K77 IonicContact OE2-NZ 3.62Å; E74-K77 PolarHBondContact OE2-NZ 3.42Å; R75-K77 PolarHBondContact O-N 2.72Å; K77-L79 VanDerWaalsContact C-N 3.32Å
78	E	84.9	Confident	92.6	Very high	81 Å²	81	69.1 Å²	69.1	38%	0.379	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-78.6	-19.9	176.1	-55.4	174.6	172.5	0	0	111.9	R75 F76	R75-E78 IonicContact NE-OE2 3.66Å; R75-E78 WeakPolarHBondContact O-CB 3.41Å; R75-E78 WeakPolarHBondContact O-CG 3.28Å; R75-E78 PolarHBondContact O-N 3.09Å; F76-E78 PolarHBondContact O-N 2.78Å
79	L	92.5	Very high	92.8	Very high	13 Å²	13	65.7 Å²	65.7	7%	0.068	32%	0.323	C	S	.	.			trans	-82.9	136.4	177	-56.9	-175.7	0	0	0	110.1	I69 F76 K77 L100 T102 W131 E145	I69-L79 HydrophobicContact CD1-CD2 4.15Å; I69-L79 HydrophobicContact CD1-CG 4.33Å; I69-L79 HydrophobicContact CG2-CD1 4.05Å; F76-L79 HydrophobicContact CD2-CD1 4.17Å; F76-L79 HydrophobicContact CE2-CD1 4.38Å; F76-L79 WeakPolarHBondContact O-CB 3.29Å; F76-L79 PolarHBondContact O-N 3.06Å; F76-L79 VanDerWaalsContact O-N 3.08Å; K77-L79 VanDerWaalsContact C-N 3.32Å; L79-L100 HydrophobicContact CB-CB 4.39Å; L79-L100 HydrophobicContact CD1-CB 4.32Å; L79-T102 HydrophobicContact CD2-CG2 4.04Å; L79-W131 HydrophobicContact CD1-CB 4.48Å; L79-W131 HydrophobicContact CD1-CD2 3.9Å; L79-W131 HydrophobicContact CD1-CG 3.82Å; L79-E145 WeakPolarHBondContact CD2-O 3.39Å
80	T	90.8	Very high	92.9	Very high	37 Å²	37	69.3 Å²	69.3	23%	0.227	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.2	175.4	68.4	0	0	0	0	109.7	M101	T80-M101 PolarHBondContact N-O 2.92Å; T80-M101 PolarHBondContact O-N 2.71Å
81	P	96.7	Very high	93	Very high	49 Å²	49	68.9 Å²	68.9	32%	0.318	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	142.2	175.9	28.2	-33.5	0	0	0	110.9	Y83 R99 L100 K106	P81-Y83 HydrophobicContact CB-CD2 4.2Å; P81-Y83 HydrophobicContact CB-CE2 3.58Å; P81-Y83 HydrophobicContact CG-CD2 4.41Å; P81-Y83 HydrophobicContact CG-CE2 3.73Å; P81-R99 CarbonylContact C-O 3.52Å; P81-R99 WeakPolarHBondContact CA-O 3.38Å; P81-L100 HydrophobicContact CB-CD2 4.06Å; P81-K106 PolarHBondContact O-NZ 2.97Å
82	N	96.9	Very high	93	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.016	33%	0.334	C	S	.	.			trans	-104.7	113.6	172.1	-165.6	-6.6	0	0	0	111.1	N84 F89 R99 M101 K106 N110	N82-N84 VanDerWaalsContact OD1-CB 3.25Å; N82-N84 WeakPolarHBondContact OD1-CB 3.37Å; N82-N84 PolarHBondContact OD1-N 2.86Å; N82-F89 HydrophobicContact CB-CZ 4.05Å; N82-F89 WeakPolarHBondContact O-CE2 3.42Å; N82-R99 PolarHBondContact N-O 2.92Å; N82-R99 PolarHBondContact O-NH1 3.15Å; N82-M101 HydrophobicContact CB-CE 3.82Å; N82-M101 HydrophobicContact CB-SD 3.91Å; N82-K106 HydrophobicContact CB-CD 4.38Å; N82-K106 HydrophobicContact CB-CG 4.3Å; N82-N110 PolarHBondContact ND2-OD1 2.92Å
83	Y	96.8	Very high	93	Very high	165 Å²	165	63.1 Å²	63.1	65%	0.647	31%	0.307	S	S	*	.			trans	-109.9	25.2	177.7	-66.3	-69.6	0	0	0	112.6	P81 P85	P81-Y83 HydrophobicContact CB-CD2 4.2Å; P81-Y83 HydrophobicContact CB-CE2 3.58Å; P81-Y83 HydrophobicContact CG-CD2 4.41Å; P81-Y83 HydrophobicContact CG-CE2 3.73Å; Y83-P85 WeakPolarHBondContact O-CD 3.42Å
84	N	93.6	Very high	93.1	Very high	30 Å²	30	68.3 Å²	68.3	16%	0.16	33%	0.332	C	S	.	.			trans	-57.6	120.6	176.9	-175.3	-17	0	0	0	110.4	N82 D86 I87 N110	N82-N84 VanDerWaalsContact OD1-CB 3.25Å; N82-N84 WeakPolarHBondContact OD1-CB 3.37Å; N82-N84 PolarHBondContact OD1-N 2.86Å; N84-D86 PolarHBondContact O-N 2.99Å; N84-D86 VanDerWaalsContact O-N 3.15Å; N84-D86 WeakPolarHBondContact OD1-CB 3.46Å; N84-D86 PolarHBondContact OD1-N 3.4Å; N84-I87 HydrophobicContact CB-CD1 3.92Å; N84-I87 HydrophobicContact CB-CG1 4.13Å; N84-I87 PolarHBondContact O-N 2.99Å; N84-N110 PolarHBondContact ND2-OD1 2.91Å
85	P	95.3	Very high	93.3	Very high	102 Å²	102	64.2 Å²	64.2	66%	0.662	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.2	-178	29.6	-37.1	0	0	0	113.4	Y83 I87 K124	Y83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-I87 VanDerWaalsContact C-N 3.34Å; P85-K124 PolarHBondContact O-NZ 2.79Å
86	D	95.6	Very high	93.8	Very high	51 Å²	51	62.3 Å²	62.3	27%	0.273	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.7	179.6	-61.6	-36	0	0	0	113.7	N84 M117 K124	N84-D86 PolarHBondContact O-N 2.99Å; N84-D86 VanDerWaalsContact O-N 3.15Å; N84-D86 WeakPolarHBondContact OD1-CB 3.46Å; N84-D86 PolarHBondContact OD1-N 3.4Å; D86-M117 HydrophobicContact CB-CE 3.68Å; D86-M117 HydrophobicContact CB-SD 3.77Å; D86-K124 IonicContact OD1-NZ 2.7Å; D86-K124 PolarHBondContact OD1-NZ 3.33Å; D86-K124 VanDerWaalsContact OD1-NZ 3.11Å
87	I	98.3	Very high	94	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.7	175.1	-54.6	174.9	0	0	0	109.2	N84 P85 F89 L109 A113 L125 V127	N84-I87 HydrophobicContact CB-CD1 3.92Å; N84-I87 HydrophobicContact CB-CG1 4.13Å; N84-I87 PolarHBondContact O-N 2.99Å; P85-I87 VanDerWaalsContact C-N 3.34Å; I87-F89 HydrophobicContact CB-CD2 4.42Å; I87-F89 HydrophobicContact CB-CE2 3.76Å; I87-F89 HydrophobicContact CB-CZ 4.18Å; I87-F89 HydrophobicContact CG2-CD2 4.04Å; I87-F89 HydrophobicContact CG2-CE1 4.24Å; I87-F89 HydrophobicContact CG2-CE2 3.55Å; I87-F89 HydrophobicContact CG2-CZ 3.67Å; I87-L109 HydrophobicContact CD1-CD2 3.8Å; I87-L109 HydrophobicContact CD1-CG 3.77Å; I87-A113 HydrophobicContact CD1-CB 4.11Å; I87-A113 HydrophobicContact CG1-CB 3.68Å; I87-L125 WeakPolarHBondContact CA-O 3.44Å; I87-L125 HydrophobicContact CD1-CD2 4.43Å; I87-L125 HydrophobicContact CG1-CD2 4.34Å; I87-V127 HydrophobicContact CG2-CG2 3.81Å
88	I	98.3	Very high	94.5	Very high	72 Å²	72	53 Å²	53	37%	0.369	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.3	171.6	-53	-56.8	0	0	0	108.3	K124 L125 R126 V127	I88-K124 HydrophobicContact CD1-CD 4.28Å; I88-K124 HydrophobicContact CG1-CB 4.23Å; I88-L125 PolarHBondContact N-O 3.18Å; I88-R126 HydrophobicContact CB-CB 4.12Å; I88-R126 HydrophobicContact CB-CG 4.09Å; I88-R126 HydrophobicContact CG2-CG 4.2Å; I88-R126 CarbonylContact O-C 3.56Å; I88-R126 WeakPolarHBondContact O-CA 3.37Å; I88-V127 PolarHBondContact O-N 3.39Å
89	F	98.3	Very high	95.1	Very high	18 Å²	18	52.2 Å²	52.2	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.6	173	-67.5	-90.8	0	0	0	108.9	N82 I87 D98 R99 M101 L109 V127	N82-F89 HydrophobicContact CB-CZ 4.05Å; N82-F89 WeakPolarHBondContact O-CE2 3.42Å; I87-F89 HydrophobicContact CB-CD2 4.42Å; I87-F89 HydrophobicContact CB-CE2 3.76Å; I87-F89 HydrophobicContact CB-CZ 4.18Å; I87-F89 HydrophobicContact CG2-CD2 4.04Å; I87-F89 HydrophobicContact CG2-CE1 4.24Å; I87-F89 HydrophobicContact CG2-CE2 3.55Å; I87-F89 HydrophobicContact CG2-CZ 3.67Å; F89-D98 HydrophobicContact CD1-CB 4.13Å; F89-D98 WeakPolarHBondContact CD1-O 3.47Å; F89-D98 VanDerWaalsContact CE1-O 3.28Å; F89-D98 WeakPolarHBondContact CE1-O 3.25Å; F89-R99 HydrophobicContact CB-CG 4.34Å; F89-R99 HydrophobicContact CD1-CG 3.9Å; F89-R99 HydrophobicContact CD2-CG 4.19Å; F89-R99 HydrophobicContact CE1-CG 4.23Å; F89-R99 HydrophobicContact CE2-CG 4.48Å; F89-R99 HydrophobicContact CG-CG 3.87Å; F89-M101 HydrophobicContact CE1-CE 3.97Å; F89-M101 HydrophobicContact CZ-CE 4.28Å; F89-L109 HydrophobicContact CZ-CD2 4.46Å; F89-V127 HydrophobicContact CD1-CB 3.78Å; F89-V127 HydrophobicContact CD1-CG1 4.13Å; F89-V127 HydrophobicContact CD1-CG2 4.14Å; F89-V127 HydrophobicContact CE1-CB 4Å; F89-V127 HydrophobicContact CE1-CG1 4.32Å; F89-V127 HydrophobicContact CE1-CG2 3.85Å; F89-V127 HydrophobicContact CZ-CG2 4.49Å
90	K	97.1	Very high	95.4	Very high	78 Å²	78	52.5 Å²	52.5	34%	0.339	27%	0.271	S	S	.	.			trans	-71.4	-48.7	179.4	-177.3	-171.7	-178.9	-159.8	0	110.2	E92 R126 V127 T128	K90-E92 VanDerWaalsContact C-N 3.32Å; K90-E92 HydrophobicContact CD-CB 4.47Å; K90-E92 HydrophobicContact CD-CG 4.46Å; K90-E92 WeakPolarHBondContact CE-OE2 3.46Å; K90-E92 HydrophobicContact CG-CB 4.35Å; K90-E92 IonicContact NZ-OE1 3.3Å; K90-E92 PolarHBondContact NZ-OE1 2.9Å; K90-E92 IonicContact NZ-OE2 3.46Å; K90-E92 PolarHBondContact NZ-OE2 3.28Å; K90-E92 PolarHBondContact O-N 2.98Å; K90-R126 VanDerWaalsContact CG-NH2 3.33Å; K90-V127 WeakPolarHBondContact CB-O 3.32Å; K90-V127 PolarHBondContact N-O 3.2Å; K90-T128 HydrophobicContact CD-CG2 4.3Å; K90-T128 WeakPolarHBondContact CD-O 3.36Å
91	D	94.2	Very high	95.7	Very high	36 Å²	36	50.8 Å²	50.8	19%	0.193	26%	0.261	C	S	.	.			trans	46.7	54.5	174.7	-167.2	16.2	0	0	0	111.5	E93 N94 T95 G96 D98	D91-E93 PolarHBondContact O-N 3.28Å; D91-N94 PolarHBondContact O-N 2.91Å; D91-N94 PolarHBondContact OD1-N 2.91Å; D91-T95 PolarHBondContact OD1-N 2.94Å; D91-G96 WeakPolarHBondContact OD1-CA 3.21Å; D91-G96 PolarHBondContact OD1-N 3.19Å; D91-D98 PolarHBondContact N-OD2 2.93Å
92	E	91.5	Very high	95.6	Very high	107 Å²	107	48.8 Å²	48.8	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.8	-176.7	65.8	-174.8	154.8	0	0	112.4	K90 N94	K90-E92 VanDerWaalsContact C-N 3.32Å; K90-E92 HydrophobicContact CD-CB 4.47Å; K90-E92 HydrophobicContact CD-CG 4.46Å; K90-E92 WeakPolarHBondContact CE-OE2 3.46Å; K90-E92 HydrophobicContact CG-CB 4.35Å; K90-E92 IonicContact NZ-OE1 3.3Å; K90-E92 PolarHBondContact NZ-OE1 2.9Å; K90-E92 IonicContact NZ-OE2 3.46Å; K90-E92 PolarHBondContact NZ-OE2 3.28Å; K90-E92 PolarHBondContact O-N 2.98Å; E92-N94 VanDerWaalsContact C-N 3.28Å; E92-N94 PolarHBondContact O-N 3.09Å; E92-N94 PolarHBondContact O-ND2 3.12Å
93	E	90.7	Very high	95	Very high	44 Å²	44	51.8 Å²	51.8	21%	0.206	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.6	175.2	-58.2	69.1	-145.6	0	0	111.8	D91 T95	D91-E93 PolarHBondContact O-N 3.28Å; E93-T95 HydrophobicContact CB-CG2 4.05Å; E93-T95 PolarHBondContact O-N 3.47Å
94	N	93.4	Very high	94.6	Very high	141 Å²	141	44.9 Å²	44.9	75%	0.754	23%	0.234	S	C	*	.	S	Bend	trans	55.1	27.7	-172	-58.9	-83.2	0	0	0	113.8	D91 E92	D91-N94 PolarHBondContact O-N 2.91Å; D91-N94 PolarHBondContact OD1-N 2.91Å; E92-N94 VanDerWaalsContact C-N 3.28Å; E92-N94 PolarHBondContact O-N 3.09Å; E92-N94 PolarHBondContact O-ND2 3.12Å
95	T	92.4	Very high	94.7	Very high	57 Å²	57	43.4 Å²	43.4	35%	0.35	23%	0.226	S	C	.	.	S	Bend	trans	-104.4	-12.6	178.9	60	0	0	0	0	112.3	D91 E93 A97	D91-T95 PolarHBondContact OD1-N 2.94Å; E93-T95 HydrophobicContact CB-CG2 4.05Å; E93-T95 PolarHBondContact O-N 3.47Å; T95-A97 PolarHBondContact O-N 3.5Å; T95-A97 VanDerWaalsContact OG1-CB 3.26Å; T95-A97 WeakPolarHBondContact OG1-CB 3.34Å; T95-A97 PolarHBondContact OG1-N 2.78Å
96	G	94.2	Very high	94.6	Very high	18 Å²	18	40.8 Å²	40.8	19%	0.186	21%	0.205	C	C	.	.	S	Bend	trans	72.4	12.5	-170	0	0	0	0	0	113.7	D91 D98 R99	D91-G96 WeakPolarHBondContact OD1-CA 3.21Å; D91-G96 PolarHBondContact OD1-N 3.19Å; G96-D98 VanDerWaalsContact C-N 3.3Å; G96-D98 PolarHBondContact O-N 2.95Å; G96-R99 WeakPolarHBondContact O-CB 3.43Å; G96-R99 PolarHBondContact O-N 3.28Å
97	A	95.8	Very high	94.1	Very high	4 Å²	4	42 Å²	42	3%	0.033	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-59.8	-40.1	-177	0	0	0	0	0	112.3	T95 R99 L100 W131	T95-A97 PolarHBondContact O-N 3.5Å; T95-A97 VanDerWaalsContact OG1-CB 3.26Å; T95-A97 WeakPolarHBondContact OG1-CB 3.34Å; T95-A97 PolarHBondContact OG1-N 2.78Å; A97-R99 PolarHBondContact O-N 2.77Å; A97-L100 WeakPolarHBondContact O-CB 3.48Å; A97-L100 PolarHBondContact O-N 3.12Å; A97-W131 HydrophobicContact CB-CE3 3.95Å; A97-W131 HydrophobicContact CB-CZ3 4.27Å; A97-W131 WeakPolarHBondContact CB-O 3.31Å
98	D	97.5	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-51	-24.8	172.2	-99.2	-0.4	0	0	0	115	F89 D91 G96 E129 G130	F89-D98 HydrophobicContact CD1-CB 4.13Å; F89-D98 WeakPolarHBondContact CD1-O 3.47Å; F89-D98 VanDerWaalsContact CE1-O 3.28Å; F89-D98 WeakPolarHBondContact CE1-O 3.25Å; D91-D98 PolarHBondContact N-OD2 2.93Å; G96-D98 VanDerWaalsContact C-N 3.3Å; G96-D98 PolarHBondContact O-N 2.95Å; D98-E129 VanDerWaalsContact OD1-C 3.31Å; D98-E129 WeakPolarHBondContact OD1-CA 3.37Å; D98-G130 PolarHBondContact OD1-N 2.84Å
99	R	98.1	Very high	93.7	Very high	63 Å²	63	40.6 Å²	40.6	24%	0.238	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-89	-18.4	-178.9	-59	176.1	177.1	-80.8	-1.9	112.7	P81 N82 F89 G96 A97	P81-R99 CarbonylContact C-O 3.52Å; P81-R99 WeakPolarHBondContact CA-O 3.38Å; N82-R99 PolarHBondContact N-O 2.92Å; N82-R99 PolarHBondContact O-NH1 3.15Å; F89-R99 HydrophobicContact CB-CG 4.34Å; F89-R99 HydrophobicContact CD1-CG 3.9Å; F89-R99 HydrophobicContact CD2-CG 4.19Å; F89-R99 HydrophobicContact CE1-CG 4.23Å; F89-R99 HydrophobicContact CE2-CG 4.48Å; F89-R99 HydrophobicContact CG-CG 3.87Å; G96-R99 WeakPolarHBondContact O-CB 3.43Å; G96-R99 PolarHBondContact O-N 3.28Å; A97-R99 PolarHBondContact O-N 2.77Å
100	L	97.8	Very high	93.2	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.105	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.6	-176.2	-66.3	171.9	0	0	0	109.7	F76 L79 P81 A97 W131	F76-L100 HydrophobicContact CE2-CD1 3.69Å; F76-L100 HydrophobicContact CZ-CD1 3.6Å; L79-L100 HydrophobicContact CB-CB 4.39Å; L79-L100 HydrophobicContact CD1-CB 4.32Å; P81-L100 HydrophobicContact CB-CD2 4.06Å; A97-L100 WeakPolarHBondContact O-CB 3.48Å; A97-L100 PolarHBondContact O-N 3.12Å; L100-W131 HydrophobicContact CB-CB 4.23Å; L100-W131 HydrophobicContact CB-CE3 4.09Å; L100-W131 HydrophobicContact CD1-CE3 3.58Å; L100-W131 HydrophobicContact CD1-CZ3 3.68Å; L100-W131 HydrophobicContact CG-CE3 4.46Å; L100-W131 VanDerWaalsContact O-CB 3.22Å; L100-W131 WeakPolarHBondContact O-CB 3.3Å
101	M	97.5	Very high	92.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162.2	-178.4	63	-168.3	66.1	0	0	110.8	T80 N82 F89 C105 K106 L109 G146	T80-M101 PolarHBondContact N-O 2.92Å; T80-M101 PolarHBondContact O-N 2.71Å; N82-M101 HydrophobicContact CB-CE 3.82Å; N82-M101 HydrophobicContact CB-SD 3.91Å; F89-M101 HydrophobicContact CE1-CE 3.97Å; F89-M101 HydrophobicContact CZ-CE 4.28Å; M101-C105 HydrophobicContact CB-CB 3.92Å; M101-C105 HydrophobicContact CG-CB 4.24Å; M101-C105 HydrophobicContact SD-CB 4.48Å; M101-K106 HydrophobicContact CG-CB 3.95Å; M101-K106 VanDerWaalsContact SD-CA 3.56Å; M101-K106 HydrophobicContact SD-CB 3.93Å; M101-L109 HydrophobicContact CE-CD2 3.64Å; M101-L109 HydrophobicContact SD-CD2 3.74Å; M101-G146 CarbonylContact C-O 3.5Å; M101-G146 VanDerWaalsContact CA-O 3.27Å; M101-G146 WeakPolarHBondContact CA-O 3.46Å; M101-G146 WeakPolarHBondContact CB-O 3.33Å
102	T	94.5	Very high	92.6	Very high	7 Å²	7	38 Å²	38	4%	0.043	20%	0.197	C	C	.	.			trans	-64.4	158.7	172.7	64.1	0	0	0	0	111.2	L79 R104 C105 K106 G146 R147	L79-T102 HydrophobicContact CD2-CG2 4.04Å; T102-R104 VanDerWaalsContact C-N 3.31Å; T102-R104 PolarHBondContact O-N 2.85Å; T102-C105 WeakPolarHBondContact O-CB 3.45Å; T102-C105 PolarHBondContact O-N 3.34Å; T102-C105 VanDerWaalsContact O-N 3.11Å; T102-C105 WeakPolarHBondContact OG1-CB 3.47Å; T102-C105 PolarHBondContact OG1-N 2.71Å; T102-K106 PolarHBondContact O-N 2.88Å; T102-G146 PolarHBondContact N-O 3.17Å; T102-R147 HydrophobicContact CG2-CG 3.58Å
103	Q	85.3	Confident	92.6	Very high	65 Å²	65	32.9 Å²	32.9	30%	0.304	17%	0.174	S	C	.	.	H	α-helix	trans	-58.3	-43.4	179.8	-174.8	58.8	49.6	0	0	111.9	C105 K106 D107 E191	Q103-C105 VanDerWaalsContact C-N 3.34Å; Q103-C105 PolarHBondContact O-N 2.93Å; Q103-K106 WeakPolarHBondContact O-CB 3.19Å; Q103-K106 PolarHBondContact O-N 3.27Å; Q103-D107 PolarHBondContact NE2-OD1 2.93Å; Q103-D107 VanDerWaalsContact O-CG 3.25Å; Q103-D107 PolarHBondContact O-N 3.24Å; Q103-E191 PolarHBondContact N-OE1 3.16Å
104	R	86.9	Confident	92.2	Very high	20 Å²	20	35.4 Å²	35.4	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-44.8	174.7	-177.2	177.5	-175.7	84.6	-2.7	111.7	T102 K106 D107 K108 D174 V188 E191	T102-R104 VanDerWaalsContact C-N 3.31Å; T102-R104 PolarHBondContact O-N 2.85Å; R104-K106 VanDerWaalsContact C-N 3.31Å; R104-K106 PolarHBondContact O-N 3.05Å; R104-D107 PolarHBondContact O-N 3.42Å; R104-K108 WeakPolarHBondContact O-CG 3.38Å; R104-K108 PolarHBondContact O-N 3.4Å; R104-K108 VanDerWaalsContact O-N 3.07Å; R104-D174 IonicContact CZ-OD1 3.1Å; R104-D174 IonicContact CZ-OD2 2.87Å; R104-D174 IonicContact NE-OD1 3.38Å; R104-D174 IonicContact NE-OD2 3.72Å; R104-D174 PolarHBondContact NE-OD2 3.29Å; R104-D174 IonicContact NH2-OD1 2.81Å; R104-D174 PolarHBondContact NH2-OD1 3.04Å; R104-D174 IonicContact NH2-OD2 2.6Å; R104-D174 PolarHBondContact NH2-OD2 2.89Å; R104-V188 HydrophobicContact CB-CG2 4.46Å; R104-V188 HydrophobicContact CG-CB 4.1Å; R104-V188 HydrophobicContact CG-CG1 4.31Å; R104-V188 HydrophobicContact CG-CG2 4.37Å; R104-E191 WeakPolarHBondContact CB-OE1 3.32Å; R104-E191 PolarHBondContact N-OE1 2.81Å
105	C	95.9	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-45.5	178.1	-169.2	0	0	0	0	110.5	M101 T102 Q103 D107 K108 L109 V188	M101-C105 HydrophobicContact CB-CB 3.92Å; M101-C105 HydrophobicContact CG-CB 4.24Å; M101-C105 HydrophobicContact SD-CB 4.48Å; T102-C105 WeakPolarHBondContact O-CB 3.45Å; T102-C105 PolarHBondContact O-N 3.34Å; T102-C105 VanDerWaalsContact O-N 3.11Å; T102-C105 WeakPolarHBondContact OG1-CB 3.47Å; T102-C105 PolarHBondContact OG1-N 2.71Å; Q103-C105 VanDerWaalsContact C-N 3.34Å; Q103-C105 PolarHBondContact O-N 2.93Å; C105-D107 PolarHBondContact O-N 3.33Å; C105-K108 PolarHBondContact O-N 3.2Å; C105-L109 WeakPolarHBondContact O-CB 3.45Å; C105-L109 PolarHBondContact O-N 3.48Å; C105-V188 HydrophobicContact CB-CG2 3.74Å
106	K	94.4	Very high	92.1	Very high	47 Å²	47	27.8 Å²	27.8	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-45.8	175.6	-179.5	170.2	178.2	173.8	0	112.6	P81 N82 M101 T102 Q103 R104 L109 N110	P81-K106 PolarHBondContact O-NZ 2.97Å; N82-K106 HydrophobicContact CB-CD 4.38Å; N82-K106 HydrophobicContact CB-CG 4.3Å; M101-K106 HydrophobicContact CG-CB 3.95Å; M101-K106 VanDerWaalsContact SD-CA 3.56Å; M101-K106 HydrophobicContact SD-CB 3.93Å; T102-K106 PolarHBondContact O-N 2.88Å; Q103-K106 WeakPolarHBondContact O-CB 3.19Å; Q103-K106 PolarHBondContact O-N 3.27Å; R104-K106 VanDerWaalsContact C-N 3.31Å; R104-K106 PolarHBondContact O-N 3.05Å; K106-L109 PolarHBondContact O-N 3.14Å; K106-N110 WeakPolarHBondContact O-CB 3.47Å; K106-N110 PolarHBondContact O-N 3.4Å; K106-N110 PolarHBondContact O-ND2 3.39Å
107	D	84.8	Confident	92	Very high	75 Å²	75	29.4 Å²	29.4	40%	0.401	15%	0.151	S	C	.	.	H	α-helix	trans	-62.7	-46.5	179.3	-64.4	-17.9	0	0	0	111.8	Q103 R104 C105 N110 A111	Q103-D107 PolarHBondContact NE2-OD1 2.93Å; Q103-D107 VanDerWaalsContact O-CG 3.25Å; Q103-D107 PolarHBondContact O-N 3.24Å; R104-D107 PolarHBondContact O-N 3.42Å; C105-D107 PolarHBondContact O-N 3.33Å; D107-N110 PolarHBondContact O-N 3.3Å; D107-A111 PolarHBondContact O-N 3.26Å
108	K	91.1	Very high	91.8	Very high	52 Å²	52	35.3 Å²	35.3	23%	0.226	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-40.4	179.1	-59.4	-44.7	178.5	-178.5	0	112	R104 C105 A111 L112 A171 G172 F173 V188	R104-K108 WeakPolarHBondContact O-CG 3.38Å; R104-K108 PolarHBondContact O-N 3.4Å; R104-K108 VanDerWaalsContact O-N 3.07Å; C105-K108 PolarHBondContact O-N 3.2Å; K108-A111 PolarHBondContact O-N 3.3Å; K108-L112 WeakPolarHBondContact O-CB 3.04Å; K108-L112 PolarHBondContact O-N 3.01Å; K108-A171 WeakPolarHBondContact CD-O 3.35Å; K108-G172 WeakPolarHBondContact CD-O 3.29Å; K108-G172 WeakPolarHBondContact CE-O 3.38Å; K108-F173 HydrophobicContact CB-CD1 4.2Å; K108-F173 HydrophobicContact CB-CD2 3.93Å; K108-F173 HydrophobicContact CB-CE1 4.05Å; K108-F173 HydrophobicContact CB-CE2 3.76Å; K108-F173 HydrophobicContact CB-CG 4.16Å; K108-F173 HydrophobicContact CB-CZ 3.83Å; K108-V188 HydrophobicContact CG-CG1 4.11Å
109	L	97.3	Very high	91.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-40.1	178.4	-166.4	72.3	0	0	0	111.8	I87 F89 M101 C105 K106 L112 A113 L125 V127 V149 I151 F173	I87-L109 HydrophobicContact CD1-CD2 3.8Å; I87-L109 HydrophobicContact CD1-CG 3.77Å; F89-L109 HydrophobicContact CZ-CD2 4.46Å; M101-L109 HydrophobicContact CE-CD2 3.64Å; M101-L109 HydrophobicContact SD-CD2 3.74Å; C105-L109 WeakPolarHBondContact O-CB 3.45Å; C105-L109 PolarHBondContact O-N 3.48Å; K106-L109 PolarHBondContact O-N 3.14Å; L109-L112 PolarHBondContact O-N 3.44Å; L109-A113 PolarHBondContact O-N 3.18Å; L109-L125 HydrophobicContact CD1-CD2 3.6Å; L109-L125 HydrophobicContact CG-CD2 3.97Å; L109-V127 HydrophobicContact CD1-CG2 4.16Å; L109-V127 HydrophobicContact CD2-CG2 3.88Å; L109-V149 HydrophobicContact CD1-CG2 4.09Å; L109-I151 HydrophobicContact CD1-CG2 4.17Å; L109-F173 HydrophobicContact CB-CZ 4.17Å; L109-F173 HydrophobicContact CD1-CZ 4.03Å
110	N	87.8	Confident	91.6	Very high	38 Å²	38	38 Å²	38	20%	0.203	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-41.8	176.2	-70.6	-20.6	0	0	0	112	N82 N84 K106 D107 L112 A113 I114	N82-N110 PolarHBondContact ND2-OD1 2.92Å; N84-N110 PolarHBondContact ND2-OD1 2.91Å; K106-N110 WeakPolarHBondContact O-CB 3.47Å; K106-N110 PolarHBondContact O-N 3.4Å; K106-N110 PolarHBondContact O-ND2 3.39Å; D107-N110 PolarHBondContact O-N 3.3Å; N110-L112 VanDerWaalsContact C-N 3.3Å; N110-L112 PolarHBondContact O-N 3.45Å; N110-A113 WeakPolarHBondContact O-CB 3.37Å; N110-A113 PolarHBondContact O-N 3.2Å; N110-I114 PolarHBondContact O-N 3.02Å
111	A	82.9	Confident	91.6	Very high	38 Å²	38	42.8 Å²	42.8	31%	0.314	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-38.7	173.6	0	0	0	0	0	112.1	D107 K108 S115 A171	D107-A111 PolarHBondContact O-N 3.26Å; K108-A111 PolarHBondContact O-N 3.3Å; A111-S115 PolarHBondContact O-N 3.15Å; A111-S115 PolarHBondContact O-OG 3.44Å; A111-S115 VanDerWaalsContact O-OG 3.05Å; A111-A171 HydrophobicContact CB-CB 4.42Å
112	L	96.1	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-41.9	174.6	-179.6	56.7	0	0	0	111.9	K108 L109 N110 I114 S115 V116 L125 I151 L164 L167 A168 A171 F173	K108-L112 WeakPolarHBondContact O-CB 3.04Å; K108-L112 PolarHBondContact O-N 3.01Å; L109-L112 PolarHBondContact O-N 3.44Å; N110-L112 VanDerWaalsContact C-N 3.3Å; N110-L112 PolarHBondContact O-N 3.45Å; L112-I114 VanDerWaalsContact C-N 3.29Å; L112-I114 PolarHBondContact O-N 3.26Å; L112-S115 CarbonylContact O-C 3.53Å; L112-S115 WeakPolarHBondContact O-CA 3.29Å; L112-S115 WeakPolarHBondContact O-CB 3.2Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-V116 HydrophobicContact CD1-CG2 4.03Å; L112-V116 HydrophobicContact CG-CG2 4.22Å; L112-V116 WeakPolarHBondContact O-CG2 3.41Å; L112-V116 PolarHBondContact O-N 3.01Å; L112-L125 HydrophobicContact CB-CD2 4.22Å; L112-L125 HydrophobicContact CD2-CD1 4.03Å; L112-L125 HydrophobicContact CD2-CD2 4.09Å; L112-L125 HydrophobicContact CG-CD1 4.25Å; L112-L125 HydrophobicContact CG-CD2 4Å; L112-I151 HydrophobicContact CD2-CD1 3.4Å; L112-I151 VanDerWaalsContact CD2-CD1 3.4Å; L112-L164 HydrophobicContact CD1-CD1 4.48Å; L112-L167 VanDerWaalsContact CD1-C 3.49Å; L112-L167 HydrophobicContact CD1-CB 3.59Å; L112-A168 HydrophobicContact CD1-CB 4.31Å; L112-A168 HydrophobicContact CD2-CB 3.82Å; L112-A171 HydrophobicContact CB-CB 3.82Å; L112-A171 HydrophobicContact CD1-CB 4.3Å; L112-F173 HydrophobicContact CB-CE2 4.2Å; L112-F173 HydrophobicContact CD2-CE2 3.86Å
113	A	90.1	Very high	91.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-43.7	178.7	0	0	0	0	0	111.9	I87 L109 N110 S115 V116 M117 L125	I87-A113 HydrophobicContact CD1-CB 4.11Å; I87-A113 HydrophobicContact CG1-CB 3.68Å; L109-A113 PolarHBondContact O-N 3.18Å; N110-A113 WeakPolarHBondContact O-CB 3.37Å; N110-A113 PolarHBondContact O-N 3.2Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 2.99Å; A113-V116 PolarHBondContact O-N 3.24Å; A113-M117 WeakPolarHBondContact O-CG 3.09Å; A113-M117 PolarHBondContact O-N 2.75Å; A113-M117 VanDerWaalsContact O-N 3.14Å; A113-L125 HydrophobicContact CB-CB 4.19Å; A113-L125 HydrophobicContact CB-CD2 4.13Å
114	I	82.8	Confident	92.2	Very high	96 Å²	96	47.1 Å²	47.1	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-46.1	174.1	-62.3	166.5	0	0	0	110.6	N110 L112 V116 M117 N118	N110-I114 PolarHBondContact O-N 3.02Å; L112-I114 VanDerWaalsContact C-N 3.29Å; L112-I114 PolarHBondContact O-N 3.26Å; I114-V116 PolarHBondContact O-N 3.28Å; I114-M117 PolarHBondContact O-N 3.43Å; I114-N118 WeakPolarHBondContact O-CB 3.31Å; I114-N118 VanDerWaalsContact O-CG 3.31Å; I114-N118 PolarHBondContact O-N 2.91Å; I114-N118 PolarHBondContact O-ND2 2.87Å
115	S	88.4	Confident	92.7	Very high	39 Å²	39	46.1 Å²	46.1	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-38.4	-179.4	-58.9	0	0	0	0	112.6	A111 L112 A113 N118 Q119	A111-S115 PolarHBondContact O-N 3.15Å; A111-S115 PolarHBondContact O-OG 3.44Å; A111-S115 VanDerWaalsContact O-OG 3.05Å; L112-S115 CarbonylContact O-C 3.53Å; L112-S115 WeakPolarHBondContact O-CA 3.29Å; L112-S115 WeakPolarHBondContact O-CB 3.2Å; L112-S115 PolarHBondContact O-N 3.36Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 2.99Å; S115-N118 PolarHBondContact O-N 3.15Å; S115-Q119 VanDerWaalsContact O-CB 3.28Å; S115-Q119 WeakPolarHBondContact O-CB 3.47Å; S115-Q119 PolarHBondContact O-N 3.46Å
116	V	95.8	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-46.9	176.9	170.1	0	0	0	0	111.1	L112 A113 I114 N118 Q119 W120 V123 L125 L164 L167	L112-V116 HydrophobicContact CD1-CG2 4.03Å; L112-V116 HydrophobicContact CG-CG2 4.22Å; L112-V116 WeakPolarHBondContact O-CG2 3.41Å; L112-V116 PolarHBondContact O-N 3.01Å; A113-V116 PolarHBondContact O-N 3.24Å; I114-V116 PolarHBondContact O-N 3.28Å; V116-N118 VanDerWaalsContact C-N 3.31Å; V116-N118 PolarHBondContact O-N 3.07Å; V116-Q119 PolarHBondContact O-N 3.34Å; V116-W120 HydrophobicContact CG1-CE3 4.02Å; V116-W120 HydrophobicContact CG1-CZ3 4.31Å; V116-W120 HydrophobicContact CG2-CZ3 4.43Å; V116-W120 PolarHBondContact O-N 3.48Å; V116-V123 HydrophobicContact CG1-CG1 4.42Å; V116-L125 HydrophobicContact CB-CB 4.49Å; V116-L125 HydrophobicContact CG2-CB 4.38Å; V116-L125 HydrophobicContact CG2-CD1 4.26Å; V116-L164 HydrophobicContact CG2-CD1 3.5Å; V116-L167 HydrophobicContact CG2-CD1 4.29Å
117	M	92.4	Very high	93.1	Very high	52 Å²	52	45.4 Å²	45.4	26%	0.256	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-36.1	178.5	-67.8	-172.4	-64.9	0	0	112.3	D86 A113 I114 W120	D86-M117 HydrophobicContact CB-CE 3.68Å; D86-M117 HydrophobicContact CB-SD 3.77Å; A113-M117 WeakPolarHBondContact O-CG 3.09Å; A113-M117 PolarHBondContact O-N 2.75Å; A113-M117 VanDerWaalsContact O-N 3.14Å; I114-M117 PolarHBondContact O-N 3.43Å; M117-W120 CarbonylContact O-C 3.44Å
118	N	90.5	Very high	93.7	Very high	128 Å²	128	42.7 Å²	42.7	68%	0.684	25%	0.249	S	C	*	.	H	α-helix	trans	-70.8	-36.4	175.2	-72.9	-22.9	0	0	0	112.4	I114 S115 V116	I114-N118 WeakPolarHBondContact O-CB 3.31Å; I114-N118 VanDerWaalsContact O-CG 3.31Å; I114-N118 PolarHBondContact O-N 2.91Å; I114-N118 PolarHBondContact O-ND2 2.87Å; S115-N118 PolarHBondContact O-N 3.15Å; V116-N118 VanDerWaalsContact C-N 3.31Å; V116-N118 PolarHBondContact O-N 3.07Å
119	Q	94.7	Very high	94	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-73.3	-36.8	179.6	-176.4	60.5	71.7	0	0	112.1	S115 V116 M163 L167	S115-Q119 VanDerWaalsContact O-CB 3.28Å; S115-Q119 WeakPolarHBondContact O-CB 3.47Å; S115-Q119 PolarHBondContact O-N 3.46Å; V116-Q119 PolarHBondContact O-N 3.34Å; Q119-M163 HydrophobicContact CG-CG 4.4Å; Q119-L167 HydrophobicContact CB-CD1 3.77Å; Q119-L167 HydrophobicContact CG-CD1 3.98Å
120	W	97.7	Very high	94	Very high	43 Å²	43	41.3 Å²	41.3	16%	0.163	24%	0.243	C	C	.	.	S	Bend	trans	-136.4	95.3	-178.8	-57.9	-68.3	0	0	0	110.5	V116 M117 G122 V123 T153 K160 M163 L164 L167	V116-W120 HydrophobicContact CG1-CE3 4.02Å; V116-W120 HydrophobicContact CG1-CZ3 4.31Å; V116-W120 HydrophobicContact CG2-CZ3 4.43Å; V116-W120 PolarHBondContact O-N 3.48Å; M117-W120 CarbonylContact O-C 3.44Å; W120-G122 PolarHBondContact O-N 2.89Å; W120-V123 HydrophobicContact CB-CB 3.77Å; W120-V123 HydrophobicContact CB-CG2 3.81Å; W120-V123 PolarHBondContact O-N 3.1Å; W120-T153 HydrophobicContact CE3-CG2 4.42Å; W120-T153 HydrophobicContact CZ3-CG2 4.18Å; W120-K160 HydrophobicContact CD2-CD 3.95Å; W120-K160 HydrophobicContact CG-CD 4.16Å; W120-K160 HydrophobicContact CH2-CB 4.05Å; W120-K160 HydrophobicContact CZ2-CB 3.77Å; W120-K160 HydrophobicContact CZ2-CD 4.23Å; W120-K160 HydrophobicContact CZ2-CG 4.05Å; W120-M163 HydrophobicContact CH2-CB 3.93Å; W120-M163 HydrophobicContact CH2-CG 3.84Å; W120-M163 HydrophobicContact CZ2-CB 3.78Å; W120-M163 HydrophobicContact CZ2-CG 3.68Å; W120-L164 HydrophobicContact CH2-CB 4.31Å; W120-L167 HydrophobicContact CH2-CD1 4.04Å; W120-L167 HydrophobicContact CZ3-CD1 3.77Å
121	P	96.3	Very high	94.5	Very high	121 Å²	121	39.5 Å²	39.5	79%	0.786	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	127.9	177.7	-27.6	35.5	0	0	0	112	V123	P121-V123 VanDerWaalsContact C-N 3.33Å
122	G	93.6	Very high	95	Very high	84 Å²	84	37.9 Å²	37.9	87%	0.866	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-4.4	-178.6	0	0	0	0	0	115.5	W120	W120-G122 PolarHBondContact O-N 2.89Å
123	V	98.2	Very high	94.8	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.097	23%	0.233	C	C	.	.			trans	-101.2	132.7	173.7	-178.7	0	0	0	0	109.4	V116 W120 P121 T153	V116-V123 HydrophobicContact CG1-CG1 4.42Å; W120-V123 HydrophobicContact CB-CB 3.77Å; W120-V123 HydrophobicContact CB-CG2 3.81Å; W120-V123 PolarHBondContact O-N 3.1Å; P121-V123 VanDerWaalsContact C-N 3.33Å; V123-T153 HydrophobicContact CG1-CG2 4.11Å
124	K	98.4	Very high	94.7	Very high	64 Å²	64	45.2 Å²	45.2	28%	0.278	26%	0.257	S	S	.	.			trans	-104.1	159.7	176.3	-73	-173	168	-163.3	0	111.3	P85 D86 I88 S154	P85-K124 PolarHBondContact O-NZ 2.79Å; D86-K124 IonicContact OD1-NZ 2.7Å; D86-K124 PolarHBondContact OD1-NZ 3.33Å; D86-K124 VanDerWaalsContact OD1-NZ 3.11Å; I88-K124 HydrophobicContact CD1-CD 4.28Å; I88-K124 HydrophobicContact CG1-CB 4.23Å; K124-S154 PolarHBondContact N-OG 3.02Å; K124-S154 WeakPolarHBondContact O-CB 3.43Å; K124-S154 PolarHBondContact O-N 2.99Å; K124-S154 PolarHBondContact O-OG 3.35Å
125	L	98.7	Very high	94.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.5	167.3	-179.9	63.8	0	0	0	109	I87 I88 L109 L112 A113 V116 I151 L164	I87-L125 WeakPolarHBondContact CA-O 3.44Å; I87-L125 HydrophobicContact CD1-CD2 4.43Å; I87-L125 HydrophobicContact CG1-CD2 4.34Å; I88-L125 PolarHBondContact N-O 3.18Å; L109-L125 HydrophobicContact CD1-CD2 3.6Å; L109-L125 HydrophobicContact CG-CD2 3.97Å; L112-L125 HydrophobicContact CB-CD2 4.22Å; L112-L125 HydrophobicContact CD2-CD1 4.03Å; L112-L125 HydrophobicContact CD2-CD2 4.09Å; L112-L125 HydrophobicContact CG-CD1 4.25Å; L112-L125 HydrophobicContact CG-CD2 4Å; A113-L125 HydrophobicContact CB-CB 4.19Å; A113-L125 HydrophobicContact CB-CD2 4.13Å; V116-L125 HydrophobicContact CB-CB 4.49Å; V116-L125 HydrophobicContact CG2-CB 4.38Å; V116-L125 HydrophobicContact CG2-CD1 4.26Å; L125-I151 HydrophobicContact CD1-CB 4.05Å; L125-I151 HydrophobicContact CD1-CD1 4.06Å; L125-I151 HydrophobicContact CD1-CG2 4.35Å; L125-L164 HydrophobicContact CD1-CD1 4.02Å
126	R	98.8	Very high	94.8	Very high	32 Å²	32	46.8 Å²	46.8	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.9	177.5	176.8	176	174.6	-79.3	-10.5	111.3	I88 K90 I151 T152	I88-R126 HydrophobicContact CB-CB 4.12Å; I88-R126 HydrophobicContact CB-CG 4.09Å; I88-R126 HydrophobicContact CG2-CG 4.2Å; I88-R126 CarbonylContact O-C 3.56Å; I88-R126 WeakPolarHBondContact O-CA 3.37Å; K90-R126 VanDerWaalsContact CG-NH2 3.33Å; R126-I151 CarbonylContact O-C 3.54Å; R126-I151 WeakPolarHBondContact O-CA 3.49Å; R126-T152 WeakPolarHBondContact CB-OG1 3.35Å; R126-T152 WeakPolarHBondContact CG-OG1 3.34Å; R126-T152 PolarHBondContact N-O 3.02Å; R126-T152 PolarHBondContact NH1-OG1 3.23Å; R126-T152 PolarHBondContact O-N 3.02Å; R126-T152 PolarHBondContact O-OG1 3.49Å
127	V	98.7	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.7	172.3	179.1	0	0	0	0	108.7	I87 I88 F89 K90 L109 E129 V149 D150 I151	I87-V127 HydrophobicContact CG2-CG2 3.81Å; I88-V127 PolarHBondContact O-N 3.39Å; F89-V127 HydrophobicContact CD1-CB 3.78Å; F89-V127 HydrophobicContact CD1-CG1 4.13Å; F89-V127 HydrophobicContact CD1-CG2 4.14Å; F89-V127 HydrophobicContact CE1-CB 4Å; F89-V127 HydrophobicContact CE1-CG1 4.32Å; F89-V127 HydrophobicContact CE1-CG2 3.85Å; F89-V127 HydrophobicContact CZ-CG2 4.49Å; K90-V127 WeakPolarHBondContact CB-O 3.32Å; K90-V127 PolarHBondContact N-O 3.2Å; L109-V127 HydrophobicContact CD1-CG2 4.16Å; L109-V127 HydrophobicContact CD2-CG2 3.88Å; V127-E129 WeakPolarHBondContact CG1-O 3.5Å; V127-V149 HydrophobicContact CG1-CG1 4.48Å; V127-D150 WeakPolarHBondContact CA-O 3.34Å; V127-I151 HydrophobicContact CG2-CG2 4.23Å
128	T	97.5	Very high	94.6	Very high	18 Å²	18	50.2 Å²	50.2	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-27.8	174.4	41.9	0	0	0	0	114.1	K90 D150 T152	K90-T128 HydrophobicContact CD-CG2 4.3Å; K90-T128 WeakPolarHBondContact CD-O 3.36Å; T128-D150 PolarHBondContact N-O 2.89Å; T128-D150 WeakPolarHBondContact OG1-CB 3.49Å; T128-D150 PolarHBondContact OG1-O 2.96Å; T128-T152 HydrophobicContact CG2-CG2 4Å
129	E	98.1	Very high	94.4	Very high	21 Å²	21	52.5 Å²	52.5	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	134.5	-177.9	-168.4	64.1	-126.1	0	0	107.7	D98 V127 H137 V149 D150	D98-E129 VanDerWaalsContact OD1-C 3.31Å; D98-E129 WeakPolarHBondContact OD1-CA 3.37Å; V127-E129 WeakPolarHBondContact CG1-O 3.5Å; E129-H137 WeakPolarHBondContact CG-NE2 3.43Å; E129-V149 CarbonylContact O-C 3.51Å; E129-V149 VanDerWaalsContact O-CA 3.29Å; E129-V149 WeakPolarHBondContact O-CA 3.5Å; E129-D150 HydrophobicContact CB-CB 3.84Å; E129-D150 PolarHBondContact O-N 3.25Å
130	G	96.3	Very high	94.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	31%	0.305	C	S	.	.			trans	-125.8	-114.3	179	0	0	0	0	0	111.9	D98 H143	D98-G130 PolarHBondContact OD1-N 2.84Å; G130-H143 PolarHBondContact O-ND1 2.75Å
131	W	97.9	Very high	94.3	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	30%	0.299	C	S	.	.	S	Bend	trans	-80.7	118.9	171.3	171.8	64.8	0	0	0	110.2	I69 R71 F76 L79 A97 L100 E133 H143 Y144	I69-W131 VanDerWaalsContact O-CZ2 3.24Å; I69-W131 WeakPolarHBondContact O-CZ2 3.16Å; I69-W131 PolarHBondContact O-NE1 3.14Å; R71-W131 HydrophobicContact CB-CH2 4.11Å; F76-W131 AromaticContact CD2-CH2 3.96Å; F76-W131 HydrophobicContact CD2-CH2 3.96Å; F76-W131 AromaticContact CD2-CZ2 3.99Å; F76-W131 HydrophobicContact CD2-CZ2 3.99Å; F76-W131 HydrophobicContact CE2-CE3 4.27Å; F76-W131 AromaticContact CE2-CH2 3.45Å; F76-W131 HydrophobicContact CE2-CH2 3.45Å; F76-W131 VanDerWaalsContact CE2-CH2 3.45Å; F76-W131 AromaticContact CE2-CZ2 3.91Å; F76-W131 HydrophobicContact CE2-CZ2 3.91Å; F76-W131 AromaticContact CE2-CZ3 3.65Å; F76-W131 HydrophobicContact CE2-CZ3 3.65Å; F76-W131 HydrophobicContact CZ-CH2 4.49Å; F76-W131 HydrophobicContact CZ-CZ3 4.48Å; L79-W131 HydrophobicContact CD1-CB 4.48Å; L79-W131 HydrophobicContact CD1-CD2 3.9Å; L79-W131 HydrophobicContact CD1-CG 3.82Å; A97-W131 HydrophobicContact CB-CE3 3.95Å; A97-W131 HydrophobicContact CB-CZ3 4.27Å; A97-W131 WeakPolarHBondContact CB-O 3.31Å; L100-W131 HydrophobicContact CB-CB 4.23Å; L100-W131 HydrophobicContact CB-CE3 4.09Å; L100-W131 HydrophobicContact CD1-CE3 3.58Å; L100-W131 HydrophobicContact CD1-CZ3 3.68Å; L100-W131 HydrophobicContact CG-CE3 4.46Å; L100-W131 VanDerWaalsContact O-CB 3.22Å; L100-W131 WeakPolarHBondContact O-CB 3.3Å; W131-E133 HydrophobicContact CH2-CB 4.13Å; W131-E133 WeakPolarHBondContact CH2-OE1 3.44Å; W131-E133 HydrophobicContact CZ2-CB 4.42Å; W131-E133 HydrophobicContact CZ3-CB 4.44Å; W131-E133 WeakPolarHBondContact CZ3-OE1 3.45Å; W131-H143 WeakPolarHBondContact CA-O 3.37Å; W131-Y144 PolarHBondContact NE1-O 3.47Å
132	D	94.9	Very high	94.4	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	26%	0.262	C	S	.	.			trans	-96.9	125.2	-176.8	177.7	18.1	0	0	0	111.3	D134 G135 H136 H137 H143 Y144	D132-D134 PolarHBondContact OD1-N 3.19Å; D132-G135 PolarHBondContact OD1-N 3Å; D132-G135 PolarHBondContact OD2-N 3.44Å; D132-H136 IonicContact OD1-ND1 3.75Å; D132-H136 PolarHBondContact OD2-N 3.48Å; D132-H137 IonicContact OD2-CD2 2.7Å; D132-H137 PolarHBondContact OD2-CD2 3.27Å; D132-H137 IonicContact OD2-NE2 3.81Å; D132-H143 HydrophobicContact CB-CB 4.17Å; D132-H143 PolarHBondContact N-O 3.41Å; D132-Y144 HydrophobicContact CB-CD1 4.19Å; D132-Y144 HydrophobicContact CB-CE1 4.17Å; D132-Y144 WeakPolarHBondContact O-CD1 3.36Å; D132-Y144 VanDerWaalsContact OD2-CE1 3.26Å; D132-Y144 WeakPolarHBondContact OD2-CE1 3.44Å
133	E	90.6	Very high	94.6	Very high	61 Å²	61	42.5 Å²	42.5	29%	0.285	22%	0.221	S	C	.	.	S	Bend	trans	-96.8	-23.3	173.4	51.4	-174.8	57.1	0	0	113.4	K68 R71 W131	K68-E133 PolarHBondContact NZ-O 2.91Å; R71-E133 IonicContact NE-OE1 3.76Å; W131-E133 HydrophobicContact CH2-CB 4.13Å; W131-E133 WeakPolarHBondContact CH2-OE1 3.44Å; W131-E133 HydrophobicContact CZ2-CB 4.42Å; W131-E133 HydrophobicContact CZ3-CB 4.44Å; W131-E133 WeakPolarHBondContact CZ3-OE1 3.45Å
134	D	87.8	Confident	94.5	Very high	95 Å²	95	42.3 Å²	42.3	51%	0.508	22%	0.219	S	C	.	.	S	Bend	trans	-89.6	-19.1	-165.7	-69	-33.2	0	0	0	114.3	D132 H136	D132-D134 PolarHBondContact OD1-N 3.19Å; D134-H136 WeakPolarHBondContact CB-CE1 3.24Å; D134-H136 IonicContact OD2-CE1 3.07Å
135	G	87.5	Confident	94.4	Very high	36 Å²	36	39.3 Å²	39.3	37%	0.371	21%	0.206	S	C	.	.			trans	92.6	31.7	173.5	0	0	0	0	0	114.2	D132 H137 Y144	D132-G135 PolarHBondContact OD1-N 3Å; D132-G135 PolarHBondContact OD2-N 3.44Å; G135-H137 VanDerWaalsContact C-N 3.26Å; G135-H137 PolarHBondContact O-N 3.38Å; G135-Y144 WeakPolarHBondContact CA-OH 3.4Å; G135-Y144 PolarHBondContact O-OH 3Å
136	H	87.5	Confident	94.3	Very high	131 Å²	131	39.3 Å²	39.3	61%	0.606	21%	0.206	S	C	*	.			trans	-77.4	-10.7	-177.2	-64.5	128	0	0	0	113.7	D132 D134	D132-H136 IonicContact OD1-ND1 3.75Å; D132-H136 PolarHBondContact OD2-N 3.48Å; D134-H136 WeakPolarHBondContact CB-CE1 3.24Å; D134-H136 IonicContact OD2-CE1 3.07Å
137	H	91.9	Very high	94.3	Very high	44 Å²	44	38 Å²	38	20%	0.204	20%	0.2	C	C	.	.	S	Bend	trans	-107	169.9	-178.2	-56.7	-83.1	0	0	0	113.7	E129 D132 G135 S141 H143 Y144	E129-H137 WeakPolarHBondContact CG-NE2 3.43Å; D132-H137 IonicContact OD2-CD2 2.7Å; D132-H137 PolarHBondContact OD2-CD2 3.27Å; D132-H137 IonicContact OD2-NE2 3.81Å; G135-H137 VanDerWaalsContact C-N 3.26Å; G135-H137 PolarHBondContact O-N 3.38Å; H137-S141 WeakPolarHBondContact CB-OG 3.33Å; H137-H143 VanDerWaalsContact CD2-CB 3.5Å; H137-H143 WeakPolarHBondContact CD2-CB 3.49Å; H137-H143 AromaticContact CD2-CG 3.74Å; H137-H143 AromaticContact CE1-CD2 3.43Å; H137-H143 PolarHBondContact CE1-CD2 3.19Å; H137-H143 VanDerWaalsContact CE1-CD2 3.43Å; H137-H143 AromaticContact CE1-CE1 3.92Å; H137-H143 AromaticContact CE1-CG 3.63Å; H137-H143 AromaticContact CE1-ND1 3.95Å; H137-H143 AromaticContact CE1-NE2 3.67Å; H137-H143 AromaticContact ND1-CD2 3.69Å; H137-H143 AromaticContact NE2-CD2 3.63Å; H137-H143 AromaticContact NE2-CG 3.33Å; H137-H143 VanDerWaalsContact NE2-CG 3.33Å; H137-H143 AromaticContact NE2-ND1 3.65Å; H137-Y144 VanDerWaalsContact C-OH 3.32Å; H137-Y144 HydrophobicContact CB-CE2 4.46Å; H137-Y144 PolarHBondContact N-OH 2.82Å; H137-Y144 VanDerWaalsContact N-OH 3.12Å; H137-Y144 PolarHBondContact O-OH 3.48Å
138	S	91	Very high	94.3	Very high	80 Å²	80	38 Å²	38	56%	0.559	20%	0.2	S	C	*	.			trans	-56.8	152.2	172.7	62.4	0	0	0	0	112.5	E140 S141 Y144	S138-E140 PolarHBondContact O-N 3.4Å; S138-S141 WeakPolarHBondContact O-CB 3.43Å; S138-S141 PolarHBondContact O-N 3.08Å; S138-Y144 VanDerWaalsContact O-CE2 3.24Å; S138-Y144 WeakPolarHBondContact O-CE2 3.48Å
139	E	87.4	Confident	94.3	Very high	176 Å²	176	37.1 Å²	37.1	82%	0.822	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-36.8	-172.4	-64.3	-175.7	168.1	0	0	115.7
140	E	92.8	Very high	94.3	Very high	105 Å²	105	36.6 Å²	36.6	49%	0.491	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	38.8	179.5	-59.9	-175.5	169.2	0	0	112.5	K57 Y65 S138	K57-E140 HydrophobicContact CD-CB 4.18Å; K57-E140 WeakPolarHBondContact CE-OE2 3.34Å; K57-E140 PolarHBondContact NZ-O 3.3Å; Y65-E140 HydrophobicContact CD1-CB 4.18Å; Y65-E140 HydrophobicContact CD1-CG 4.12Å; Y65-E140 HydrophobicContact CE1-CG 4.48Å; Y65-E140 HydrophobicContact CG-CB 4.09Å; S138-E140 PolarHBondContact O-N 3.4Å
141	S	96.9	Very high	94.4	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.049	19%	0.192	C	C	.	.			trans	-72.5	139.2	177.3	-177.2	0	0	0	0	111.5	H137 S138 H143 Y144	H137-S141 WeakPolarHBondContact CB-OG 3.33Å; S138-S141 WeakPolarHBondContact O-CB 3.43Å; S138-S141 PolarHBondContact O-N 3.08Å; S141-H143 PolarHBondContact O-N 3.01Å; S141-H143 WeakPolarHBondContact OG-CB 3.46Å; S141-H143 PolarHBondContact OG-CD2 2.95Å; S141-H143 PolarHBondContact OG-N 3.15Å; S141-Y144 PolarHBondContact O-N 3.46Å
142	L	97.4	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-75.3	-10.4	174.4	-62.9	-169.2	0	0	0	113.1	E56 S62 Y65 Y144 E145 R147 A148	E56-L142 HydrophobicContact CG-CD1 4.1Å; E56-L142 WeakPolarHBondContact OE1-CD1 3.25Å; S62-L142 VanDerWaalsContact CB-CD1 3.45Å; Y65-L142 HydrophobicContact CD2-CD2 4.49Å; L142-Y144 PolarHBondContact O-N 2.83Å; L142-E145 PolarHBondContact O-N 2.7Å; L142-R147 HydrophobicContact CB-CB 4.23Å; L142-R147 PolarHBondContact O-N 2.9Å; L142-R147 VanDerWaalsContact O-N 3.15Å; L142-A148 HydrophobicContact CB-CB 3.93Å; L142-A148 PolarHBondContact O-N 3.29Å
143	H	98.1	Very high	94.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.9	-36.4	168.7	-75.3	-87.4	0	0	0	111.3	G130 W131 D132 H137 S141 E145 G146 D150 H185	G130-H143 PolarHBondContact O-ND1 2.75Å; W131-H143 WeakPolarHBondContact CA-O 3.37Å; D132-H143 HydrophobicContact CB-CB 4.17Å; D132-H143 PolarHBondContact N-O 3.41Å; H137-H143 VanDerWaalsContact CD2-CB 3.5Å; H137-H143 WeakPolarHBondContact CD2-CB 3.49Å; H137-H143 AromaticContact CD2-CG 3.74Å; H137-H143 AromaticContact CE1-CD2 3.43Å; H137-H143 PolarHBondContact CE1-CD2 3.19Å; H137-H143 VanDerWaalsContact CE1-CD2 3.43Å; H137-H143 AromaticContact CE1-CE1 3.92Å; H137-H143 AromaticContact CE1-CG 3.63Å; H137-H143 AromaticContact CE1-ND1 3.95Å; H137-H143 AromaticContact CE1-NE2 3.67Å; H137-H143 AromaticContact ND1-CD2 3.69Å; H137-H143 AromaticContact NE2-CD2 3.63Å; H137-H143 AromaticContact NE2-CG 3.33Å; H137-H143 VanDerWaalsContact NE2-CG 3.33Å; H137-H143 AromaticContact NE2-ND1 3.65Å; S141-H143 PolarHBondContact O-N 3.01Å; S141-H143 WeakPolarHBondContact OG-CB 3.46Å; S141-H143 PolarHBondContact OG-CD2 2.95Å; S141-H143 PolarHBondContact OG-N 3.15Å; H143-E145 PolarHBondContact O-N 2.82Å; H143-G146 PolarHBondContact O-N 2.88Å; H143-G146 VanDerWaalsContact O-N 3.12Å; H143-D150 IonicContact CE1-OD1 2.67Å; H143-D150 IonicContact CE1-OD2 3.85Å; H143-D150 IonicContact NE2-OD1 3.64Å; H143-D150 IonicContact NE2-OD2 2.62Å; H143-H185 AromaticContact CD2-CE1 3.68Å; H143-H185 AromaticContact NE2-CE1 3.22Å; H143-H185 PolarHBondContact NE2-CE1 3.27Å; H143-H185 AromaticContact NE2-ND1 3.23Å; H143-H185 PolarHBondContact NE2-ND1 3.14Å
144	Y	97.3	Very high	95	Very high	13 Å²	13	35.6 Å²	35.6	5%	0.051	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-65.1	-9.4	177.3	-61.9	-37.7	0	0	0	114.7	K68 I69 W131 D132 G135 H137 S138 S141 L142	K68-Y144 HydrophobicContact CB-CG 4.49Å; K68-Y144 HydrophobicContact CD-CD1 4.12Å; K68-Y144 HydrophobicContact CD-CG 4.12Å; K68-Y144 HydrophobicContact CG-CG 4.28Å; I69-Y144 PolarHBondContact N-O 2.86Å; W131-Y144 PolarHBondContact NE1-O 3.47Å; D132-Y144 HydrophobicContact CB-CD1 4.19Å; D132-Y144 HydrophobicContact CB-CE1 4.17Å; D132-Y144 WeakPolarHBondContact O-CD1 3.36Å; D132-Y144 VanDerWaalsContact OD2-CE1 3.26Å; D132-Y144 WeakPolarHBondContact OD2-CE1 3.44Å; G135-Y144 WeakPolarHBondContact CA-OH 3.4Å; G135-Y144 PolarHBondContact O-OH 3Å; H137-Y144 VanDerWaalsContact C-OH 3.32Å; H137-Y144 HydrophobicContact CB-CE2 4.46Å; H137-Y144 PolarHBondContact N-OH 2.82Å; H137-Y144 VanDerWaalsContact N-OH 3.12Å; H137-Y144 PolarHBondContact O-OH 3.48Å; S138-Y144 VanDerWaalsContact O-CE2 3.24Å; S138-Y144 WeakPolarHBondContact O-CE2 3.48Å; S141-Y144 PolarHBondContact O-N 3.46Å; L142-Y144 PolarHBondContact O-N 2.83Å
145	E	95.8	Very high	95.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-115.4	6.4	179.6	-66.1	-178.2	-161	0	0	113	Y65 E66 G67 I69 R75 L79 L142 H143 R147	Y65-E145 WeakPolarHBondContact CA-OE1 3.45Å; Y65-E145 HydrophobicContact CD2-CG 4.31Å; Y65-E145 WeakPolarHBondContact CD2-OE1 3.45Å; Y65-E145 HydrophobicContact CE2-CG 4.24Å; Y65-E145 WeakPolarHBondContact CE2-OE1 3.4Å; E66-E145 WeakPolarHBondContact CA-OE1 3.26Å; E66-E145 PolarHBondContact N-OE1 2.83Å; G67-E145 PolarHBondContact N-OE1 2.86Å; G67-E145 VanDerWaalsContact O-CG 3.3Å; G67-E145 WeakPolarHBondContact O-CG 3.48Å; I69-E145 HydrophobicContact CD1-CB 4.35Å; R75-E145 IonicContact NH2-OE2 3.11Å; L79-E145 WeakPolarHBondContact CD2-O 3.39Å; L142-E145 PolarHBondContact O-N 2.7Å; H143-E145 PolarHBondContact O-N 2.82Å; E145-R147 HydrophobicContact CB-CB 4.33Å; E145-R147 HydrophobicContact CB-CG 4.05Å; E145-R147 PolarHBondContact O-N 2.89Å; E145-R147 VanDerWaalsContact OE2-CD 3.26Å; E145-R147 WeakPolarHBondContact OE2-CD 3.33Å; E145-R147 IonicContact OE2-CZ 3.29Å; E145-R147 IonicContact OE2-NE 3.08Å; E145-R147 IonicContact OE2-NH1 3.65Å; E145-R147 PolarHBondContact OE2-NH1 2.86Å
146	G	96.9	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	25.8	-174.6	0	0	0	0	0	112.7	M101 T102 H143	M101-G146 CarbonylContact C-O 3.5Å; M101-G146 VanDerWaalsContact CA-O 3.27Å; M101-G146 WeakPolarHBondContact CA-O 3.46Å; M101-G146 WeakPolarHBondContact CB-O 3.33Å; T102-G146 PolarHBondContact N-O 3.17Å; H143-G146 PolarHBondContact O-N 2.88Å; H143-G146 VanDerWaalsContact O-N 3.12Å
147	R	97.4	Very high	96.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.015	19%	0.185	C	C	.	.			trans	-107.1	-2.6	-177.9	-74.5	171.1	56.4	-161.3	-4.4	113	S62 R64 T102 L142 E145 S187 V188 A190	S62-R147 PolarHBondContact O-NH2 3.36Å; R64-R147 PolarHBondContact O-NH1 2.88Å; T102-R147 HydrophobicContact CG2-CG 3.58Å; L142-R147 HydrophobicContact CB-CB 4.23Å; L142-R147 PolarHBondContact O-N 2.9Å; L142-R147 VanDerWaalsContact O-N 3.15Å; E145-R147 HydrophobicContact CB-CB 4.33Å; E145-R147 HydrophobicContact CB-CG 4.05Å; E145-R147 PolarHBondContact O-N 2.89Å; E145-R147 VanDerWaalsContact OE2-CD 3.26Å; E145-R147 WeakPolarHBondContact OE2-CD 3.33Å; E145-R147 IonicContact OE2-CZ 3.29Å; E145-R147 IonicContact OE2-NE 3.08Å; E145-R147 IonicContact OE2-NH1 3.65Å; E145-R147 PolarHBondContact OE2-NH1 2.86Å; R147-S187 CarbonylContact O-C 3.53Å; R147-S187 WeakPolarHBondContact O-CA 3.32Å; R147-S187 WeakPolarHBondContact O-CB 3.43Å; R147-V188 HydrophobicContact CB-CG2 4.17Å; R147-V188 HydrophobicContact CG-CG2 4.37Å; R147-V188 PolarHBondContact NE-O 3.41Å; R147-V188 PolarHBondContact NH2-O 3.27Å; R147-V188 VanDerWaalsContact NH2-O 3.1Å; R147-V188 WeakPolarHBondContact O-CG2 3.49Å; R147-V188 PolarHBondContact O-N 3.16Å; R147-A190 VanDerWaalsContact CZ-N 3.29Å; R147-A190 VanDerWaalsContact NE-N 3.17Å
148	A	98.3	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.2	175.9	0	0	0	0	0	110.9	L142 C186	L142-A148 HydrophobicContact CB-CB 3.93Å; L142-A148 PolarHBondContact O-N 3.29Å; A148-C186 CarbonylContact C-O 3.54Å; A148-C186 VanDerWaalsContact CA-O 3.26Å; A148-C186 WeakPolarHBondContact CA-O 3.09Å
149	V	98.6	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.1	176.4	-70.6	0	0	0	0	109.1	L109 V127 E129 I151 F173 C186	L109-V149 HydrophobicContact CD1-CG2 4.09Å; V127-V149 HydrophobicContact CG1-CG1 4.48Å; E129-V149 CarbonylContact O-C 3.51Å; E129-V149 VanDerWaalsContact O-CA 3.29Å; E129-V149 WeakPolarHBondContact O-CA 3.5Å; V149-I151 HydrophobicContact CB-CG2 4.12Å; V149-I151 HydrophobicContact CG2-CG2 3.87Å; V149-F173 HydrophobicContact CG2-CE1 3.97Å; V149-F173 HydrophobicContact CG2-CZ 4.16Å; V149-C186 HydrophobicContact CG2-CB 3.99Å; V149-C186 PolarHBondContact N-O 3.16Å; V149-C186 PolarHBondContact O-N 2.92Å
150	D	98.6	Very high	97.6	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.2	166.1	-69.4	-23.8	0	0	0	109	V127 T128 E129 H143 H183 I184 H185	V127-D150 WeakPolarHBondContact CA-O 3.34Å; T128-D150 PolarHBondContact N-O 2.89Å; T128-D150 WeakPolarHBondContact OG1-CB 3.49Å; T128-D150 PolarHBondContact OG1-O 2.96Å; E129-D150 HydrophobicContact CB-CB 3.84Å; E129-D150 PolarHBondContact O-N 3.25Å; H143-D150 IonicContact CE1-OD1 2.67Å; H143-D150 IonicContact CE1-OD2 3.85Å; H143-D150 IonicContact NE2-OD1 3.64Å; H143-D150 IonicContact NE2-OD2 2.62Å; D150-H183 HydrophobicContact CB-CB 4.18Å; D150-H183 VanDerWaalsContact CB-CD2 3.41Å; D150-H183 WeakPolarHBondContact CB-CD2 3.32Å; D150-H183 VanDerWaalsContact CG-NE2 3.26Å; D150-H183 IonicContact OD1-CD2 2.85Å; D150-H183 PolarHBondContact OD1-CD2 3.25Å; D150-H183 VanDerWaalsContact OD1-CD2 3.3Å; D150-H183 IonicContact OD1-NE2 3.25Å; D150-H183 PolarHBondContact OD1-NE2 3.43Å; D150-H183 IonicContact OD2-CD2 3.58Å; D150-H183 PolarHBondContact OD2-CD2 2.9Å; D150-H183 IonicContact OD2-CE1 2.77Å; D150-H183 IonicContact OD2-NE2 3.7Å; D150-H183 PolarHBondContact OD2-NE2 3.04Å; D150-H183 VanDerWaalsContact OD2-NE2 3.09Å; D150-I184 WeakPolarHBondContact CA-O 3.36Å; D150-H185 WeakPolarHBondContact OD1-CA 3.37Å; D150-H185 WeakPolarHBondContact OD1-CB 3.24Å; D150-H185 IonicContact OD1-CG 2.97Å; D150-H185 IonicContact OD1-ND1 3.7Å; D150-H185 PolarHBondContact OD1-ND1 2.93Å; D150-H185 VanDerWaalsContact OD1-ND1 3.08Å
151	I	98.7	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.9	-169.2	64.5	168.3	0	0	0	113.2	L109 L112 L125 R126 V127 V149 L164 A168 H183 I184 C186	L109-I151 HydrophobicContact CD1-CG2 4.17Å; L112-I151 HydrophobicContact CD2-CD1 3.4Å; L112-I151 VanDerWaalsContact CD2-CD1 3.4Å; L125-I151 HydrophobicContact CD1-CB 4.05Å; L125-I151 HydrophobicContact CD1-CD1 4.06Å; L125-I151 HydrophobicContact CD1-CG2 4.35Å; R126-I151 CarbonylContact O-C 3.54Å; R126-I151 WeakPolarHBondContact O-CA 3.49Å; V127-I151 HydrophobicContact CG2-CG2 4.23Å; V149-I151 HydrophobicContact CB-CG2 4.12Å; V149-I151 HydrophobicContact CG2-CG2 3.87Å; I151-L164 HydrophobicContact CD1-CD1 4.21Å; I151-L164 HydrophobicContact CD1-CD2 4.19Å; I151-L164 HydrophobicContact CD1-CG 4.04Å; I151-L164 HydrophobicContact CG1-CD2 4.17Å; I151-A168 HydrophobicContact CD1-CB 4.42Å; I151-H183 WeakPolarHBondContact O-CA 3.03Å; I151-I184 HydrophobicContact CG1-CB 3.9Å; I151-I184 HydrophobicContact CG1-CG2 4.49Å; I151-I184 WeakPolarHBondContact CG1-O 3.48Å; I151-I184 PolarHBondContact N-O 3.22Å; I151-I184 PolarHBondContact O-N 2.89Å; I151-C186 VanDerWaalsContact CD1-SG 3.57Å
152	T	98.8	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	171.4	178.7	57.5	0	0	0	0	109.4	R126 T128 Y161 A182 H183	R126-T152 WeakPolarHBondContact CB-OG1 3.35Å; R126-T152 WeakPolarHBondContact CG-OG1 3.34Å; R126-T152 PolarHBondContact N-O 3.02Å; R126-T152 PolarHBondContact NH1-OG1 3.23Å; R126-T152 PolarHBondContact O-N 3.02Å; R126-T152 PolarHBondContact O-OG1 3.49Å; T128-T152 HydrophobicContact CG2-CG2 4Å; T152-Y161 WeakPolarHBondContact CB-OH 3.2Å; T152-Y161 HydrophobicContact CG2-CE1 4.44Å; T152-Y161 HydrophobicContact CG2-CE2 4.3Å; T152-Y161 VanDerWaalsContact CG2-OH 3.23Å; T152-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T152-A182 WeakPolarHBondContact CG2-O 3.21Å; T152-H183 HydrophobicContact CG2-CB 4.04Å
153	T	98.6	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	151.9	163.2	53.9	0	0	0	0	110	W120 V123 D155 R156 D157 K160 L164	W120-T153 HydrophobicContact CE3-CG2 4.42Å; W120-T153 HydrophobicContact CZ3-CG2 4.18Å; V123-T153 HydrophobicContact CG1-CG2 4.11Å; T153-D155 WeakPolarHBondContact CB-OD1 3.02Å; T153-D155 PolarHBondContact O-N 3.24Å; T153-D155 PolarHBondContact OG1-OD1 3.4Å; T153-R156 WeakPolarHBondContact O-CA 3.22Å; T153-R156 PolarHBondContact O-N 3.08Å; T153-D157 PolarHBondContact OG1-N 2.93Å; T153-K160 HydrophobicContact CG2-CB 4.02Å; T153-K160 HydrophobicContact CG2-CD 4.14Å; T153-L164 HydrophobicContact CG2-CD2 4.27Å
154	S	98.2	Very high	98	Very high	44 Å²	44	33.9 Å²	33.9	31%	0.308	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.1	-178.7	62	0	0	0	0	113.6	K124 R156	K124-S154 PolarHBondContact N-OG 3.02Å; K124-S154 WeakPolarHBondContact O-CB 3.43Å; K124-S154 PolarHBondContact O-N 2.99Å; K124-S154 PolarHBondContact O-OG 3.35Å; S154-R156 VanDerWaalsContact C-N 3.28Å
155	D	97.9	Very high	98	Very high	72 Å²	72	33.2 Å²	33.2	39%	0.385	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.9	175	65.8	-4	0	0	0	113.6	T153 D157 K160	T153-D155 WeakPolarHBondContact CB-OD1 3.02Å; T153-D155 PolarHBondContact O-N 3.24Å; T153-D155 PolarHBondContact OG1-OD1 3.4Å; D155-D157 PolarHBondContact O-N 2.94Å; D155-D157 PolarHBondContact OD1-N 2.97Å; D155-K160 WeakPolarHBondContact OD2-CE 3.36Å; D155-K160 IonicContact OD2-NZ 3.56Å; D155-K160 PolarHBondContact OD2-NZ 3.45Å
156	R	97.9	Very high	98.1	Very high	168 Å²	168	34.7 Å²	34.7	63%	0.634	17%	0.168	S	C	*	.			trans	56.9	26.7	-179.9	-53.2	172.2	71.4	-177.5	4.3	113.5	T153 S154 R158	T153-R156 WeakPolarHBondContact O-CA 3.22Å; T153-R156 PolarHBondContact O-N 3.08Å; S154-R156 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 2.99Å
157	D	97.9	Very high	98	Very high	56 Å²	56	35.1 Å²	35.1	30%	0.299	17%	0.171	S	C	.	.			trans	-75.6	103.3	175.2	-179.8	1.3	0	0	0	111.1	T153 D155 S159 K160 Y161	T153-D157 PolarHBondContact OG1-N 2.93Å; D155-D157 PolarHBondContact O-N 2.94Å; D155-D157 PolarHBondContact OD1-N 2.97Å; D157-S159 PolarHBondContact O-N 3.16Å; D157-S159 VanDerWaalsContact O-N 3.15Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.35Å; D157-S159 PolarHBondContact OD1-N 3.43Å; D157-S159 PolarHBondContact OD1-OG 3.08Å; D157-S159 PolarHBondContact OD2-OG 3.25Å; D157-S159 VanDerWaalsContact OD2-OG 3.05Å; D157-K160 HydrophobicContact CB-CD 4.15Å; D157-K160 HydrophobicContact CB-CG 4.15Å; D157-K160 WeakPolarHBondContact O-CB 3.47Å; D157-K160 PolarHBondContact O-N 3.03Å; D157-K160 IonicContact OD2-NZ 2.71Å; D157-K160 PolarHBondContact OD2-NZ 2.99Å; D157-Y161 WeakPolarHBondContact O-CD1 3.44Å; D157-Y161 WeakPolarHBondContact O-CE1 3.3Å
158	R	97.3	Very high	98	Very high	156 Å²	156	35 Å²	35	59%	0.589	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-62	-22.7	-178.1	-59.9	178.7	-176.6	177.5	-0.5	113.5	R156 K160 Y161 K181	R156-R158 PolarHBondContact O-N 2.99Å; R158-K160 PolarHBondContact O-N 2.86Å; R158-Y161 HydrophobicContact CB-CD2 4.35Å; R158-Y161 HydrophobicContact CB-CE2 4.27Å; R158-Y161 HydrophobicContact CG-CD2 4.44Å; R158-Y161 HydrophobicContact CG-CE2 3.91Å; R158-Y161 WeakPolarHBondContact O-CB 3.09Å; R158-Y161 PolarHBondContact O-N 3.16Å; R158-K181 WeakPolarHBondContact CD-O 3.3Å
159	S	97.4	Very high	97.7	Very high	97 Å²	97	36.4 Å²	36.4	68%	0.678	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-66.5	-23.9	176.7	74.2	0	0	0	0	112.2	D157	D157-S159 PolarHBondContact O-N 3.16Å; D157-S159 VanDerWaalsContact O-N 3.15Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.35Å; D157-S159 PolarHBondContact OD1-N 3.43Å; D157-S159 PolarHBondContact OD1-OG 3.08Å; D157-S159 PolarHBondContact OD2-OG 3.25Å; D157-S159 VanDerWaalsContact OD2-OG 3.05Å
160	K	98.3	Very high	97.2	Very high	35 Å²	35	39.8 Å²	39.8	15%	0.152	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-79.2	-17	178.1	-61.5	-174.5	175.6	84.1	0	113.3	W120 T153 D155 D157 R158 G162 M163 L164	W120-K160 HydrophobicContact CD2-CD 3.95Å; W120-K160 HydrophobicContact CG-CD 4.16Å; W120-K160 HydrophobicContact CH2-CB 4.05Å; W120-K160 HydrophobicContact CZ2-CB 3.77Å; W120-K160 HydrophobicContact CZ2-CD 4.23Å; W120-K160 HydrophobicContact CZ2-CG 4.05Å; T153-K160 HydrophobicContact CG2-CB 4.02Å; T153-K160 HydrophobicContact CG2-CD 4.14Å; D155-K160 WeakPolarHBondContact OD2-CE 3.36Å; D155-K160 IonicContact OD2-NZ 3.56Å; D155-K160 PolarHBondContact OD2-NZ 3.45Å; D157-K160 HydrophobicContact CB-CD 4.15Å; D157-K160 HydrophobicContact CB-CG 4.15Å; D157-K160 WeakPolarHBondContact O-CB 3.47Å; D157-K160 PolarHBondContact O-N 3.03Å; D157-K160 IonicContact OD2-NZ 2.71Å; D157-K160 PolarHBondContact OD2-NZ 2.99Å; R158-K160 PolarHBondContact O-N 2.86Å; K160-G162 PolarHBondContact O-N 3.3Å; K160-M163 CarbonylContact O-C 3.51Å; K160-M163 PolarHBondContact O-N 3.46Å; K160-L164 PolarHBondContact O-N 2.98Å
161	Y	98.5	Very high	96.6	Very high	5 Å²	5	40 Å²	40	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-36.2	-166.2	-72.6	7.8	0	0	0	113.8	T152 D157 R158 M163 L164 A165 Y178 A182	T152-Y161 WeakPolarHBondContact CB-OH 3.2Å; T152-Y161 HydrophobicContact CG2-CE1 4.44Å; T152-Y161 HydrophobicContact CG2-CE2 4.3Å; T152-Y161 VanDerWaalsContact CG2-OH 3.23Å; T152-Y161 WeakPolarHBondContact CG2-OH 3.45Å; D157-Y161 WeakPolarHBondContact O-CD1 3.44Å; D157-Y161 WeakPolarHBondContact O-CE1 3.3Å; R158-Y161 HydrophobicContact CB-CD2 4.35Å; R158-Y161 HydrophobicContact CB-CE2 4.27Å; R158-Y161 HydrophobicContact CG-CD2 4.44Å; R158-Y161 HydrophobicContact CG-CE2 3.91Å; R158-Y161 WeakPolarHBondContact O-CB 3.09Å; R158-Y161 PolarHBondContact O-N 3.16Å; Y161-M163 VanDerWaalsContact C-N 3.27Å; Y161-M163 PolarHBondContact O-N 3.27Å; Y161-L164 HydrophobicContact CD1-CD2 4.45Å; Y161-L164 WeakPolarHBondContact O-CB 3.31Å; Y161-L164 PolarHBondContact O-N 2.78Å; Y161-A165 WeakPolarHBondContact O-CB 3.49Å; Y161-A165 PolarHBondContact O-N 2.87Å; Y161-Y178 WeakPolarHBondContact CB-OH 3.49Å; Y161-Y178 HydrophobicContact CD2-CE1 4.38Å; Y161-A182 VanDerWaalsContact CE2-C 3.43Å; Y161-A182 WeakPolarHBondContact CE2-O 3.45Å; Y161-A182 PolarHBondContact OH-O 2.78Å
162	G	98.1	Very high	95.8	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-39.1	173.5	0	0	0	0	0	112.1	P44 L45 K160 R166	P44-G162 CarbonylContact C-O 3.51Å; P44-G162 VanDerWaalsContact CA-O 3.26Å; P44-G162 WeakPolarHBondContact CA-O 3.43Å; L45-G162 PolarHBondContact N-O 2.92Å; L45-G162 VanDerWaalsContact O-CA 3.32Å; L45-G162 WeakPolarHBondContact O-CA 3.18Å; K160-G162 PolarHBondContact O-N 3.3Å; G162-R166 PolarHBondContact O-N 2.87Å
163	M	98.3	Very high	95.6	Very high	43 Å²	43	41.9 Å²	41.9	21%	0.212	21%	0.214	C	C	.	.	H	α-helix	trans	-74.8	-38.2	175.3	-176.7	58.5	71.4	0	0	111.7	L42 P44 Q119 W120 K160 Y161 A165 R166 L167	L42-M163 HydrophobicContact CB-CE 4.31Å; L42-M163 HydrophobicContact CB-SD 4.03Å; L42-M163 HydrophobicContact CD1-SD 4.49Å; P44-M163 HydrophobicContact CB-CB 4.46Å; Q119-M163 HydrophobicContact CG-CG 4.4Å; W120-M163 HydrophobicContact CH2-CB 3.93Å; W120-M163 HydrophobicContact CH2-CG 3.84Å; W120-M163 HydrophobicContact CZ2-CB 3.78Å; W120-M163 HydrophobicContact CZ2-CG 3.68Å; K160-M163 CarbonylContact O-C 3.51Å; K160-M163 PolarHBondContact O-N 3.46Å; Y161-M163 VanDerWaalsContact C-N 3.27Å; Y161-M163 PolarHBondContact O-N 3.27Å; M163-A165 VanDerWaalsContact C-N 3.27Å; M163-A165 PolarHBondContact O-N 2.82Å; M163-R166 WeakPolarHBondContact O-CA 3.3Å; M163-R166 WeakPolarHBondContact O-CB 3.28Å; M163-R166 PolarHBondContact O-N 2.82Å; M163-R166 HydrophobicContact SD-CB 4.28Å; M163-R166 HydrophobicContact SD-CG 4.36Å; M163-L167 WeakPolarHBondContact O-CG 3.37Å; M163-L167 PolarHBondContact O-N 3.24Å
164	L	98.6	Very high	95.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-44.3	173.9	176.2	63.3	0	0	0	110.9	L112 V116 W120 L125 I151 T153 K160 Y161 R166 L167 A168 I184	L112-L164 HydrophobicContact CD1-CD1 4.48Å; V116-L164 HydrophobicContact CG2-CD1 3.5Å; W120-L164 HydrophobicContact CH2-CB 4.31Å; L125-L164 HydrophobicContact CD1-CD1 4.02Å; I151-L164 HydrophobicContact CD1-CD1 4.21Å; I151-L164 HydrophobicContact CD1-CD2 4.19Å; I151-L164 HydrophobicContact CD1-CG 4.04Å; I151-L164 HydrophobicContact CG1-CD2 4.17Å; T153-L164 HydrophobicContact CG2-CD2 4.27Å; K160-L164 PolarHBondContact O-N 2.98Å; Y161-L164 HydrophobicContact CD1-CD2 4.45Å; Y161-L164 WeakPolarHBondContact O-CB 3.31Å; Y161-L164 PolarHBondContact O-N 2.78Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.04Å; L164-L167 WeakPolarHBondContact O-CB 3.41Å; L164-L167 PolarHBondContact O-N 3.29Å; L164-A168 PolarHBondContact O-N 2.65Å; L164-I184 HydrophobicContact CD2-CG1 4.34Å
165	A	98.3	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-39	175.9	0	0	0	0	0	111.9	L45 Y161 M163 A168 V169 V176 I184	L45-A165 HydrophobicContact CB-CB 3.99Å; L45-A165 HydrophobicContact CD1-CB 4.25Å; L45-A165 HydrophobicContact CD2-CB 3.96Å; L45-A165 HydrophobicContact CG-CB 4.28Å; Y161-A165 WeakPolarHBondContact O-CB 3.49Å; Y161-A165 PolarHBondContact O-N 2.87Å; M163-A165 VanDerWaalsContact C-N 3.27Å; M163-A165 PolarHBondContact O-N 2.82Å; A165-A168 WeakPolarHBondContact O-CB 3.42Å; A165-A168 PolarHBondContact O-N 3.01Å; A165-V169 WeakPolarHBondContact O-CG2 3.42Å; A165-V169 PolarHBondContact O-N 3.32Å; A165-V169 VanDerWaalsContact O-N 3.08Å; A165-V176 HydrophobicContact CB-CG1 3.98Å; A165-I184 HydrophobicContact CB-CB 4.48Å; A165-I184 HydrophobicContact CB-CD1 3.87Å; A165-I184 HydrophobicContact CB-CG1 3.97Å; A165-I184 HydrophobicContact CB-CG2 3.69Å
166	R	97.6	Very high	95.2	Very high	31 Å²	31	38 Å²	38	12%	0.117	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-43.8	173.7	170.7	54.7	63.8	-169.6	-0.7	111	L42 T43 L45 G162 M163 L164 A168 V169 E170	L42-R166 HydrophobicContact CB-CG 3.86Å; L42-R166 HydrophobicContact CD2-CG 4.06Å; L42-R166 HydrophobicContact CG-CG 4.47Å; T43-R166 WeakPolarHBondContact O-CB 3.48Å; T43-R166 PolarHBondContact O-NE 3.32Å; T43-R166 PolarHBondContact O-NH2 2.84Å; T43-R166 PolarHBondContact OG1-NH2 3.3Å; T43-R166 VanDerWaalsContact OG1-NH2 3.16Å; L45-R166 HydrophobicContact CD1-CB 3.96Å; G162-R166 PolarHBondContact O-N 2.87Å; M163-R166 WeakPolarHBondContact O-CA 3.3Å; M163-R166 WeakPolarHBondContact O-CB 3.28Å; M163-R166 PolarHBondContact O-N 2.82Å; M163-R166 HydrophobicContact SD-CB 4.28Å; M163-R166 HydrophobicContact SD-CG 4.36Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.04Å; R166-A168 VanDerWaalsContact C-N 3.25Å; R166-A168 PolarHBondContact O-N 3.42Å; R166-V169 WeakPolarHBondContact O-CB 3.15Å; R166-V169 PolarHBondContact O-N 3.14Å; R166-V169 VanDerWaalsContact O-N 3.16Å; R166-E170 IonicContact NH1-OE1 3.87Å; R166-E170 WeakPolarHBondContact O-CG 3.28Å; R166-E170 PolarHBondContact O-N 3.33Å
167	L	95.4	Very high	95.3	Very high	10 Å²	10	32 Å²	32	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-36.9	175.6	-64.7	177.5	0	0	0	111.6	L42 L112 V116 Q119 W120 M163 L164 V169 E170 A171	L42-L167 HydrophobicContact CD1-CD2 4Å; L112-L167 VanDerWaalsContact CD1-C 3.49Å; L112-L167 HydrophobicContact CD1-CB 3.59Å; V116-L167 HydrophobicContact CG2-CD1 4.29Å; Q119-L167 HydrophobicContact CB-CD1 3.77Å; Q119-L167 HydrophobicContact CG-CD1 3.98Å; W120-L167 HydrophobicContact CH2-CD1 4.04Å; W120-L167 HydrophobicContact CZ3-CD1 3.77Å; M163-L167 WeakPolarHBondContact O-CG 3.37Å; M163-L167 PolarHBondContact O-N 3.24Å; L164-L167 WeakPolarHBondContact O-CB 3.41Å; L164-L167 PolarHBondContact O-N 3.29Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 2.74Å; L167-E170 PolarHBondContact O-N 3.37Å; L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.79Å
168	A	96.4	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-39.2	175.3	0	0	0	0	0	112.2	L112 I151 L164 A165 R166 A171 G172 F173 V176	L112-A168 HydrophobicContact CD1-CB 4.31Å; L112-A168 HydrophobicContact CD2-CB 3.82Å; I151-A168 HydrophobicContact CD1-CB 4.42Å; L164-A168 PolarHBondContact O-N 2.65Å; A165-A168 WeakPolarHBondContact O-CB 3.42Å; A165-A168 PolarHBondContact O-N 3.01Å; R166-A168 VanDerWaalsContact C-N 3.25Å; R166-A168 PolarHBondContact O-N 3.42Å; A168-A171 PolarHBondContact O-N 2.81Å; A168-G172 PolarHBondContact O-N 3.3Å; A168-F173 HydrophobicContact CB-CD2 4Å; A168-F173 WeakPolarHBondContact O-CD2 3.07Å; A168-F173 PolarHBondContact O-N 2.84Å; A168-V176 HydrophobicContact CB-CG1 4.09Å; A168-V176 HydrophobicContact CB-CG2 3.84Å
169	V	93.2	Very high	95.2	Very high	30 Å²	30	26.2 Å²	26.2	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-46.5	172.9	173.3	0	0	0	0	110.6	L45 I51 A165 R166 L167 A171 G172 V176	L45-V169 HydrophobicContact CD1-CG2 4.43Å; I51-V169 HydrophobicContact CB-CG2 3.92Å; I51-V169 HydrophobicContact CD1-CG2 4.41Å; I51-V169 HydrophobicContact CG2-CG1 3.97Å; I51-V169 HydrophobicContact CG2-CG2 4.01Å; A165-V169 WeakPolarHBondContact O-CG2 3.42Å; A165-V169 PolarHBondContact O-N 3.32Å; A165-V169 VanDerWaalsContact O-N 3.08Å; R166-V169 WeakPolarHBondContact O-CB 3.15Å; R166-V169 PolarHBondContact O-N 3.14Å; R166-V169 VanDerWaalsContact O-N 3.16Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 2.74Å; V169-A171 VanDerWaalsContact C-N 3.34Å; V169-A171 PolarHBondContact O-N 3.12Å; V169-G172 PolarHBondContact O-N 3.08Å; V169-G172 VanDerWaalsContact O-N 3.08Å; V169-V176 HydrophobicContact CG2-CB 3.78Å; V169-V176 HydrophobicContact CG2-CG1 4.29Å; V169-V176 HydrophobicContact CG2-CG2 3.76Å
170	E	88.1	Confident	95.1	Very high	72 Å²	72	22.9 Å²	22.9	34%	0.336	12%	0.119	S	C	.	.	H	α-helix	trans	-71	-28.6	179.6	-59.9	-57.4	135.9	0	0	113	K40 L42 R166 L167 G172	K40-E170 WeakPolarHBondContact CE-OE2 3.49Å; K40-E170 IonicContact NZ-OE1 3.79Å; K40-E170 IonicContact NZ-OE2 3.56Å; K40-E170 PolarHBondContact NZ-OE2 2.85Å; L42-E170 HydrophobicContact CD2-CG 3.69Å; R166-E170 IonicContact NH1-OE1 3.87Å; R166-E170 WeakPolarHBondContact O-CG 3.28Å; R166-E170 PolarHBondContact O-N 3.33Å; L167-E170 PolarHBondContact O-N 3.37Å; E170-G172 PolarHBondContact O-N 3.09Å
171	A	84.6	Confident	95	Very high	13 Å²	13	27.6 Å²	27.6	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-14	171.5	0	0	0	0	0	112.1	K108 A111 L112 L167 A168 V169 F173	K108-A171 WeakPolarHBondContact CD-O 3.35Å; A111-A171 HydrophobicContact CB-CB 4.42Å; L112-A171 HydrophobicContact CB-CB 3.82Å; L112-A171 HydrophobicContact CD1-CB 4.3Å; L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.79Å; A168-A171 PolarHBondContact O-N 2.81Å; V169-A171 VanDerWaalsContact C-N 3.34Å; V169-A171 PolarHBondContact O-N 3.12Å; A171-F173 HydrophobicContact CB-CD2 4.47Å
172	G	81.9	Confident	94.9	Very high	27 Å²	27	29.8 Å²	29.8	28%	0.278	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	28.8	173	0	0	0	0	0	114.1	K108 A168 V169 E170	K108-G172 WeakPolarHBondContact CD-O 3.29Å; K108-G172 WeakPolarHBondContact CE-O 3.38Å; A168-G172 PolarHBondContact O-N 3.3Å; V169-G172 PolarHBondContact O-N 3.08Å; V169-G172 VanDerWaalsContact O-N 3.08Å; E170-G172 PolarHBondContact O-N 3.09Å
173	F	94.6	Very high	94.9	Very high	14 Å²	14	30.9 Å²	30.9	6%	0.061	16%	0.162	C	C	.	.			trans	-59.9	140.5	161.7	-81.3	-86.8	0	0	0	109.8	K108 L109 L112 V149 A168 A171 W175 V176 C186 V188	K108-F173 HydrophobicContact CB-CD1 4.2Å; K108-F173 HydrophobicContact CB-CD2 3.93Å; K108-F173 HydrophobicContact CB-CE1 4.05Å; K108-F173 HydrophobicContact CB-CE2 3.76Å; K108-F173 HydrophobicContact CB-CG 4.16Å; K108-F173 HydrophobicContact CB-CZ 3.83Å; L109-F173 HydrophobicContact CB-CZ 4.17Å; L109-F173 HydrophobicContact CD1-CZ 4.03Å; L112-F173 HydrophobicContact CB-CE2 4.2Å; L112-F173 HydrophobicContact CD2-CE2 3.86Å; V149-F173 HydrophobicContact CG2-CE1 3.97Å; V149-F173 HydrophobicContact CG2-CZ 4.16Å; A168-F173 HydrophobicContact CB-CD2 4Å; A168-F173 WeakPolarHBondContact O-CD2 3.07Å; A168-F173 PolarHBondContact O-N 2.84Å; A171-F173 HydrophobicContact CB-CD2 4.47Å; F173-W175 VanDerWaalsContact C-N 3.32Å; F173-V176 HydrophobicContact CB-CG2 3.66Å; F173-C186 HydrophobicContact CB-CB 4.39Å; F173-C186 HydrophobicContact CD1-CB 3.49Å; F173-C186 VanDerWaalsContact CD1-CB 3.49Å; F173-C186 HydrophobicContact CD2-CB 4.27Å; F173-C186 HydrophobicContact CE1-CB 3.68Å; F173-C186 HydrophobicContact CE2-CB 4.44Å; F173-C186 HydrophobicContact CG-CB 3.79Å; F173-C186 HydrophobicContact CZ-CB 4.16Å; F173-V188 HydrophobicContact CD1-CG1 3.71Å; F173-V188 HydrophobicContact CE1-CG1 4.07Å
174	D	91.1	Very high	94.9	Very high	18 Å²	18	28.9 Å²	28.9	10%	0.096	15%	0.152	C	C	.	.	S	Bend	trans	-76.5	-25	-173.9	-63.9	-70.3	0	0	0	112.1	P52 A61 R104 S187 V188 K189	P52-D174 WeakPolarHBondContact CD-O 3.34Å; A61-D174 WeakPolarHBondContact CA-O 3.42Å; R104-D174 IonicContact CZ-OD1 3.1Å; R104-D174 IonicContact CZ-OD2 2.87Å; R104-D174 IonicContact NE-OD1 3.38Å; R104-D174 IonicContact NE-OD2 3.72Å; R104-D174 PolarHBondContact NE-OD2 3.29Å; R104-D174 IonicContact NH2-OD1 2.81Å; R104-D174 PolarHBondContact NH2-OD1 3.04Å; R104-D174 IonicContact NH2-OD2 2.6Å; R104-D174 PolarHBondContact NH2-OD2 2.89Å; D174-S187 PolarHBondContact N-O 2.82Å; D174-S187 VanDerWaalsContact N-O 3.08Å; D174-V188 VanDerWaalsContact OD2-CA 3.28Å; D174-V188 WeakPolarHBondContact OD2-CA 3.43Å; D174-K189 HydrophobicContact CB-CD 4.39Å; D174-K189 HydrophobicContact CB-CG 4.03Å; D174-K189 WeakPolarHBondContact OD1-CD 3.38Å; D174-K189 VanDerWaalsContact OD1-CE 3.29Å; D174-K189 WeakPolarHBondContact OD1-CE 3.46Å; D174-K189 PolarHBondContact OD2-N 2.99Å
175	W	97.6	Very high	94.9	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	133.9	171	-163	76.4	0	0	0	110.5	F50 I51 P52 V54 E56 A61 S62 F173 Y177 H185 C186 S187	F50-W175 HydrophobicContact CB-CH2 4.17Å; F50-W175 HydrophobicContact CB-CZ2 3.43Å; F50-W175 VanDerWaalsContact CB-CZ2 3.43Å; F50-W175 HydrophobicContact CD1-CZ2 4.2Å; F50-W175 AromaticContact CD2-CZ2 3.91Å; F50-W175 HydrophobicContact CD2-CZ2 3.91Å; F50-W175 AromaticContact CD2-NE1 3.77Å; F50-W175 AromaticContact CG-CZ2 3.58Å; F50-W175 HydrophobicContact CG-CZ2 3.58Å; I51-W175 WeakPolarHBondContact O-CA 3.24Å; P52-W175 PolarHBondContact O-NE1 3.09Å; V54-W175 PolarHBondContact O-NE1 3.03Å; E56-W175 HydrophobicContact CB-CD2 3.68Å; E56-W175 HydrophobicContact CB-CE3 3.7Å; E56-W175 HydrophobicContact CB-CG 4.25Å; E56-W175 HydrophobicContact CB-CH2 4Å; E56-W175 HydrophobicContact CB-CZ2 4.01Å; E56-W175 HydrophobicContact CB-CZ3 3.84Å; E56-W175 HydrophobicContact CG-CB 4.46Å; E56-W175 HydrophobicContact CG-CD2 3.84Å; E56-W175 HydrophobicContact CG-CE3 3.57Å; E56-W175 HydrophobicContact CG-CG 4.24Å; E56-W175 HydrophobicContact CG-CZ3 4Å; A61-W175 HydrophobicContact CB-CB 4.03Å; A61-W175 VanDerWaalsContact CB-CD1 3.42Å; A61-W175 HydrophobicContact CB-CG 3.96Å; S62-W175 VanDerWaalsContact OG-CB 3.23Å; S62-W175 WeakPolarHBondContact OG-CB 3.26Å; F173-W175 VanDerWaalsContact C-N 3.32Å; W175-Y177 AromaticContact CH2-CD1 3.54Å; W175-Y177 HydrophobicContact CH2-CD1 3.54Å; W175-Y177 HydrophobicContact CH2-CD2 4.35Å; W175-Y177 HydrophobicContact CH2-CE1 4.39Å; W175-Y177 AromaticContact CH2-CG 3.51Å; W175-Y177 HydrophobicContact CH2-CG 3.51Å; W175-Y177 HydrophobicContact CZ2-CG 4.28Å; W175-Y177 AromaticContact CZ3-CD1 3.82Å; W175-Y177 HydrophobicContact CZ3-CD1 3.82Å; W175-Y177 AromaticContact CZ3-CG 3.86Å; W175-Y177 HydrophobicContact CZ3-CG 3.86Å; W175-H185 AromaticContact CE3-CD2 3.82Å; W175-H185 AromaticContact CZ3-CD2 3.62Å; W175-C186 WeakPolarHBondContact O-CA 3.23Å; W175-S187 PolarHBondContact N-O 3.33Å; W175-S187 VanDerWaalsContact N-O 3.16Å; W175-S187 PolarHBondContact O-N 2.85Å
176	V	98.5	Very high	94.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.5	178.4	-179.6	0	0	0	0	108.7	L45 F50 I51 A165 A168 V169 F173 I184 H185	L45-V176 HydrophobicContact CD2-CG1 4.23Å; F50-V176 CarbonylContact C-O 3.49Å; F50-V176 WeakPolarHBondContact CA-O 3.33Å; F50-V176 WeakPolarHBondContact CB-O 3.45Å; I51-V176 PolarHBondContact N-O 2.78Å; I51-V176 PolarHBondContact O-N 3.08Å; A165-V176 HydrophobicContact CB-CG1 3.98Å; A168-V176 HydrophobicContact CB-CG1 4.09Å; A168-V176 HydrophobicContact CB-CG2 3.84Å; V169-V176 HydrophobicContact CG2-CB 3.78Å; V169-V176 HydrophobicContact CG2-CG1 4.29Å; V169-V176 HydrophobicContact CG2-CG2 3.76Å; F173-V176 HydrophobicContact CB-CG2 3.66Å; V176-I184 HydrophobicContact CG1-CG2 3.7Å; V176-H185 WeakPolarHBondContact CA-O 3.45Å
177	Y	98.5	Very high	94.9	Very high	43 Å²	43	27.8 Å²	27.8	17%	0.169	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.9	-177.1	173.8	-142.1	0	0	0	111.2	K48 F50 W175 E179 H185	K48-Y177 HydrophobicContact CD-CE2 4.2Å; K48-Y177 WeakPolarHBondContact CD-OH 3.39Å; K48-Y177 PolarHBondContact NZ-OH 2.6Å; F50-Y177 HydrophobicContact CB-CD2 3.8Å; F50-Y177 HydrophobicContact CB-CG 4.15Å; F50-Y177 AromaticContact CD1-CD2 3.9Å; F50-Y177 HydrophobicContact CD1-CD2 3.9Å; F50-Y177 HydrophobicContact CD1-CE2 4.07Å; F50-Y177 HydrophobicContact CG-CD2 4.34Å; W175-Y177 AromaticContact CH2-CD1 3.54Å; W175-Y177 HydrophobicContact CH2-CD1 3.54Å; W175-Y177 HydrophobicContact CH2-CD2 4.35Å; W175-Y177 HydrophobicContact CH2-CE1 4.39Å; W175-Y177 AromaticContact CH2-CG 3.51Å; W175-Y177 HydrophobicContact CH2-CG 3.51Å; W175-Y177 HydrophobicContact CZ2-CG 4.28Å; W175-Y177 AromaticContact CZ3-CD1 3.82Å; W175-Y177 HydrophobicContact CZ3-CD1 3.82Å; W175-Y177 AromaticContact CZ3-CG 3.86Å; W175-Y177 HydrophobicContact CZ3-CG 3.86Å; Y177-E179 HydrophobicContact CD1-CB 3.49Å; Y177-E179 VanDerWaalsContact CD1-CB 3.49Å; Y177-E179 HydrophobicContact CD1-CG 3.96Å; Y177-E179 VanDerWaalsContact CE1-CA 3.48Å; Y177-E179 HydrophobicContact CE1-CB 3.51Å; Y177-E179 HydrophobicContact CE1-CG 3.55Å; Y177-E179 HydrophobicContact CG-CB 4.17Å; Y177-E179 PolarHBondContact O-N 3.38Å; Y177-H185 HydrophobicContact CD1-CB 4.46Å; Y177-H185 PolarHBondContact N-O 2.91Å; Y177-H185 PolarHBondContact O-N 2.93Å
178	Y	98.3	Very high	94.9	Very high	26 Å²	26	27.3 Å²	27.3	10%	0.102	15%	0.146	C	C	.	.			trans	-76.8	73.5	168.9	-161	-14.5	0	0	0	109.7	A46 Y47 K48 Q49 Y161 S180 I184	A46-Y178 WeakPolarHBondContact O-CB 3.29Å; A46-Y178 WeakPolarHBondContact O-CD2 3.35Å; Y47-Y178 HydrophobicContact CD2-CD1 4.08Å; Y47-Y178 HydrophobicContact CD2-CE1 4.25Å; Y47-Y178 HydrophobicContact CD2-CG 4.44Å; K48-Y178 VanDerWaalsContact CA-O 3.31Å; K48-Y178 WeakPolarHBondContact CA-O 3.41Å; K48-Y178 PolarHBondContact N-O 2.81Å; Q49-Y178 PolarHBondContact O-N 3.4Å; Y161-Y178 WeakPolarHBondContact CB-OH 3.49Å; Y161-Y178 HydrophobicContact CD2-CE1 4.38Å; Y178-S180 VanDerWaalsContact CD1-O 3.27Å; Y178-S180 WeakPolarHBondContact CD1-O 3.29Å; Y178-S180 WeakPolarHBondContact CE1-O 3.34Å; Y178-I184 HydrophobicContact CD1-CD1 3.21Å; Y178-I184 HydrophobicContact CD2-CD1 4Å; Y178-I184 HydrophobicContact CE1-CD1 3.57Å; Y178-I184 HydrophobicContact CE2-CD1 4.33Å; Y178-I184 HydrophobicContact CG-CD1 3.45Å; Y178-I184 VanDerWaalsContact CG-CD1 3.45Å
179	E	95.1	Very high	94.5	Very high	63 Å²	63	27.5 Å²	27.5	29%	0.294	15%	0.147	S	C	.	.			trans	-65.6	-50.2	-169.5	179.6	171.1	-133.2	0	0	113	K48 Y177 H183 H185	K48-E179 WeakPolarHBondContact CE-O 3.46Å; K48-E179 PolarHBondContact NZ-O 3.21Å; Y177-E179 HydrophobicContact CD1-CB 3.49Å; Y177-E179 VanDerWaalsContact CD1-CB 3.49Å; Y177-E179 HydrophobicContact CD1-CG 3.96Å; Y177-E179 VanDerWaalsContact CE1-CA 3.48Å; Y177-E179 HydrophobicContact CE1-CB 3.51Å; Y177-E179 HydrophobicContact CE1-CG 3.55Å; Y177-E179 HydrophobicContact CG-CB 4.17Å; Y177-E179 PolarHBondContact O-N 3.38Å; E179-H183 IonicContact OE2-CD2 2.79Å; E179-H183 IonicContact OE2-CE1 2.77Å; E179-H183 IonicContact OE2-NE2 3.44Å; E179-H183 PolarHBondContact OE2-NE2 3.41Å; E179-H185 HydrophobicContact CB-CB 4Å
180	S	96.1	Very high	93.9	Very high	27 Å²	27	26.2 Å²	26.2	19%	0.189	14%	0.139	C	C	.	.			trans	-134.2	166.2	-172.1	93.3	0	0	0	0	110	Y178 A182 H183	Y178-S180 VanDerWaalsContact CD1-O 3.27Å; Y178-S180 WeakPolarHBondContact CD1-O 3.29Å; Y178-S180 WeakPolarHBondContact CE1-O 3.34Å; S180-A182 PolarHBondContact O-N 3.24Å; S180-A182 WeakPolarHBondContact OG-CA 3.21Å; S180-A182 WeakPolarHBondContact OG-CB 3.26Å; S180-A182 PolarHBondContact OG-N 3.39Å; S180-H183 PolarHBondContact OG-CE1 3.09Å; S180-H183 VanDerWaalsContact OG-CE1 3.3Å; S180-H183 PolarHBondContact OG-N 3.37Å; S180-H183 VanDerWaalsContact OG-N 3.15Å; S180-H183 PolarHBondContact OG-ND1 3.31Å
181	K	95.4	Very high	92.8	Very high	135 Å²	135	25.1 Å²	25.1	59%	0.587	13%	0.134	S	C	*	.	S	Bend	trans	-71.1	-9.1	171.4	-67	-175.2	179.6	178.7	0	112.4	Y47 R158	Y47-K181 HydrophobicContact CD2-CG 4.41Å; Y47-K181 HydrophobicContact CE2-CG 4.03Å; R158-K181 WeakPolarHBondContact CD-O 3.3Å
182	A	96.4	Very high	91.6	Very high	51 Å²	51	28.4 Å²	28.4	42%	0.421	15%	0.15	S	C	.	.	S	Bend	trans	-98.1	-24	-174.2	0	0	0	0	0	113.2	T152 Y161 S180	T152-A182 WeakPolarHBondContact CG2-O 3.21Å; Y161-A182 VanDerWaalsContact CE2-C 3.43Å; Y161-A182 WeakPolarHBondContact CE2-O 3.45Å; Y161-A182 PolarHBondContact OH-O 2.78Å; S180-A182 PolarHBondContact O-N 3.24Å; S180-A182 WeakPolarHBondContact OG-CA 3.21Å; S180-A182 WeakPolarHBondContact OG-CB 3.26Å; S180-A182 PolarHBondContact OG-N 3.39Å
183	H	98.1	Very high	90.1	Very high	30 Å²	30	27.8 Å²	27.8	14%	0.139	14%	0.141	C	C	.	.			trans	-160.2	166.1	-176.4	64.5	-88.6	0	0	0	112.8	D150 I151 T152 E179 S180	D150-H183 HydrophobicContact CB-CB 4.18Å; D150-H183 VanDerWaalsContact CB-CD2 3.41Å; D150-H183 WeakPolarHBondContact CB-CD2 3.32Å; D150-H183 VanDerWaalsContact CG-NE2 3.26Å; D150-H183 IonicContact OD1-CD2 2.85Å; D150-H183 PolarHBondContact OD1-CD2 3.25Å; D150-H183 VanDerWaalsContact OD1-CD2 3.3Å; D150-H183 IonicContact OD1-NE2 3.25Å; D150-H183 PolarHBondContact OD1-NE2 3.43Å; D150-H183 IonicContact OD2-CD2 3.58Å; D150-H183 PolarHBondContact OD2-CD2 2.9Å; D150-H183 IonicContact OD2-CE1 2.77Å; D150-H183 IonicContact OD2-NE2 3.7Å; D150-H183 PolarHBondContact OD2-NE2 3.04Å; D150-H183 VanDerWaalsContact OD2-NE2 3.09Å; I151-H183 WeakPolarHBondContact O-CA 3.03Å; T152-H183 HydrophobicContact CG2-CB 4.04Å; E179-H183 IonicContact OE2-CD2 2.79Å; E179-H183 IonicContact OE2-CE1 2.77Å; E179-H183 IonicContact OE2-NE2 3.44Å; E179-H183 PolarHBondContact OE2-NE2 3.41Å; S180-H183 PolarHBondContact OG-CE1 3.09Å; S180-H183 VanDerWaalsContact OG-CE1 3.3Å; S180-H183 PolarHBondContact OG-N 3.37Å; S180-H183 VanDerWaalsContact OG-N 3.15Å; S180-H183 PolarHBondContact OG-ND1 3.31Å
184	I	98.6	Very high	87.7	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	168.3	-54.7	-56.2	0	0	0	108.1	D150 I151 L164 A165 V176 Y178	D150-I184 WeakPolarHBondContact CA-O 3.36Å; I151-I184 HydrophobicContact CG1-CB 3.9Å; I151-I184 HydrophobicContact CG1-CG2 4.49Å; I151-I184 WeakPolarHBondContact CG1-O 3.48Å; I151-I184 PolarHBondContact N-O 3.22Å; I151-I184 PolarHBondContact O-N 2.89Å; L164-I184 HydrophobicContact CD2-CG1 4.34Å; A165-I184 HydrophobicContact CB-CB 4.48Å; A165-I184 HydrophobicContact CB-CD1 3.87Å; A165-I184 HydrophobicContact CB-CG1 3.97Å; A165-I184 HydrophobicContact CB-CG2 3.69Å; V176-I184 HydrophobicContact CG1-CG2 3.7Å; Y178-I184 HydrophobicContact CD1-CD1 3.21Å; Y178-I184 HydrophobicContact CD2-CD1 4Å; Y178-I184 HydrophobicContact CE1-CD1 3.57Å; Y178-I184 HydrophobicContact CE2-CD1 4.33Å; Y178-I184 HydrophobicContact CG-CD1 3.45Å; Y178-I184 VanDerWaalsContact CG-CD1 3.45Å
185	H	98.7	Very high	85.3	Confident	9 Å²	9	28.8 Å²	28.8	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.3	173.7	179.2	90	0	0	0	109.7	E56 H143 D150 W175 V176 Y177 E179	E56-H185 IonicContact OE1-CE1 3.58Å; E56-H185 IonicContact OE1-NE2 3.69Å; E56-H185 PolarHBondContact OE1-NE2 2.99Å; E56-H185 VanDerWaalsContact OE1-NE2 3.07Å; H143-H185 AromaticContact CD2-CE1 3.68Å; H143-H185 AromaticContact NE2-CE1 3.22Å; H143-H185 PolarHBondContact NE2-CE1 3.27Å; H143-H185 AromaticContact NE2-ND1 3.23Å; H143-H185 PolarHBondContact NE2-ND1 3.14Å; D150-H185 WeakPolarHBondContact OD1-CA 3.37Å; D150-H185 WeakPolarHBondContact OD1-CB 3.24Å; D150-H185 IonicContact OD1-CG 2.97Å; D150-H185 IonicContact OD1-ND1 3.7Å; D150-H185 PolarHBondContact OD1-ND1 2.93Å; D150-H185 VanDerWaalsContact OD1-ND1 3.08Å; W175-H185 AromaticContact CE3-CD2 3.82Å; W175-H185 AromaticContact CZ3-CD2 3.62Å; V176-H185 WeakPolarHBondContact CA-O 3.45Å; Y177-H185 HydrophobicContact CD1-CB 4.46Å; Y177-H185 PolarHBondContact N-O 2.91Å; Y177-H185 PolarHBondContact O-N 2.93Å; E179-H185 HydrophobicContact CB-CB 4Å
186	C	98.6	Very high	82.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.6	176.3	-54.3	0	0	0	0	109.7	A148 V149 I151 F173 W175	A148-C186 CarbonylContact C-O 3.54Å; A148-C186 VanDerWaalsContact CA-O 3.26Å; A148-C186 WeakPolarHBondContact CA-O 3.09Å; V149-C186 HydrophobicContact CG2-CB 3.99Å; V149-C186 PolarHBondContact N-O 3.16Å; V149-C186 PolarHBondContact O-N 2.92Å; I151-C186 VanDerWaalsContact CD1-SG 3.57Å; F173-C186 HydrophobicContact CB-CB 4.39Å; F173-C186 HydrophobicContact CD1-CB 3.49Å; F173-C186 VanDerWaalsContact CD1-CB 3.49Å; F173-C186 HydrophobicContact CD2-CB 4.27Å; F173-C186 HydrophobicContact CE1-CB 3.68Å; F173-C186 HydrophobicContact CE2-CB 4.44Å; F173-C186 HydrophobicContact CG-CB 3.79Å; F173-C186 HydrophobicContact CZ-CB 4.16Å; W175-C186 WeakPolarHBondContact O-CA 3.23Å
187	S	98.2	Very high	79.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.4	177.9	64	0	0	0	0	113.5	E56 S62 R147 D174 W175	E56-S187 WeakPolarHBondContact CG-OG 3.5Å; E56-S187 VanDerWaalsContact OE1-CB 3.29Å; E56-S187 WeakPolarHBondContact OE1-CB 3.48Å; E56-S187 PolarHBondContact OE1-OG 2.79Å; S62-S187 WeakPolarHBondContact CB-OG 3.48Å; S62-S187 WeakPolarHBondContact OG-CB 3.37Å; S62-S187 PolarHBondContact OG-O 2.71Å; S62-S187 PolarHBondContact OG-OG 2.8Å; R147-S187 CarbonylContact O-C 3.53Å; R147-S187 WeakPolarHBondContact O-CA 3.32Å; R147-S187 WeakPolarHBondContact O-CB 3.43Å; D174-S187 PolarHBondContact N-O 2.82Å; D174-S187 VanDerWaalsContact N-O 3.08Å; W175-S187 PolarHBondContact N-O 3.33Å; W175-S187 VanDerWaalsContact N-O 3.16Å; W175-S187 PolarHBondContact O-N 2.85Å
188	V	94.5	Very high	77.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.			trans	-126.5	158.8	-177.1	-60.1	0	0	0	0	112.3	R104 C105 K108 R147 F173 D174	R104-V188 HydrophobicContact CB-CG2 4.46Å; R104-V188 HydrophobicContact CG-CB 4.1Å; R104-V188 HydrophobicContact CG-CG1 4.31Å; R104-V188 HydrophobicContact CG-CG2 4.37Å; C105-V188 HydrophobicContact CB-CG2 3.74Å; K108-V188 HydrophobicContact CG-CG1 4.11Å; R147-V188 HydrophobicContact CB-CG2 4.17Å; R147-V188 HydrophobicContact CG-CG2 4.37Å; R147-V188 PolarHBondContact NE-O 3.41Å; R147-V188 PolarHBondContact NH2-O 3.27Å; R147-V188 VanDerWaalsContact NH2-O 3.1Å; R147-V188 WeakPolarHBondContact O-CG2 3.49Å; R147-V188 PolarHBondContact O-N 3.16Å; F173-V188 HydrophobicContact CD1-CG1 3.71Å; F173-V188 HydrophobicContact CE1-CG1 4.07Å; D174-V188 VanDerWaalsContact OD2-CA 3.28Å; D174-V188 WeakPolarHBondContact OD2-CA 3.43Å
189	K	87.6	Confident	75.9	Confident	3 Å²	3	31 Å²	31	1%	0.013	17%	0.169	C	C	.	.			trans	-61	146.2	167.2	-69.7	166.5	-170.2	-69	0	111.2	L59 A61 S62 D174 A195 L458	L59-K189 PolarHBondContact O-NZ 2.93Å; A61-K189 WeakPolarHBondContact O-CE 2.97Å; A61-K189 PolarHBondContact O-NZ 3.44Å; S62-K189 VanDerWaalsContact O-CA 3.24Å; S62-K189 WeakPolarHBondContact O-CA 3.43Å; D174-K189 HydrophobicContact CB-CD 4.39Å; D174-K189 HydrophobicContact CB-CG 4.03Å; D174-K189 WeakPolarHBondContact OD1-CD 3.38Å; D174-K189 VanDerWaalsContact OD1-CE 3.29Å; D174-K189 WeakPolarHBondContact OD1-CE 3.46Å; D174-K189 PolarHBondContact OD2-N 2.99Å; K189-A195 HydrophobicContact CD-CB 4.12Å; K189-L458 HydrophobicContact CD-CD2 3.88Å
190	A	80.5	Confident	74.8	Confident	3 Å²	3	28.2 Å²	28.2	3%	0.025	16%	0.157	C	C	.	.			trans	-59	149.8	170	0	0	0	0	0	110	E66 R147 N192 S193	E66-A190 HydrophobicContact CG-CB 4.41Å; E66-A190 WeakPolarHBondContact OE1-CB 3.3Å; R147-A190 VanDerWaalsContact CZ-N 3.29Å; R147-A190 VanDerWaalsContact NE-N 3.17Å; A190-N192 PolarHBondContact O-N 3.27Å; A190-S193 WeakPolarHBondContact O-CB 3.11Å; A190-S193 PolarHBondContact O-N 3.09Å
191	E	66.5	Low	74.5	Confident	49 Å²	49	26.9 Å²	26.9	23%	0.229	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.9	172.5	-68.8	-58.6	149.7	0	0	111.1	Q103 R104 S193 K197	Q103-E191 PolarHBondContact N-OE1 3.16Å; R104-E191 WeakPolarHBondContact CB-OE1 3.32Å; R104-E191 PolarHBondContact N-OE1 2.81Å; E191-S193 VanDerWaalsContact C-N 3.27Å; E191-S193 PolarHBondContact O-N 2.9Å; E191-K197 WeakPolarHBondContact O-CD 3.29Å; E191-K197 WeakPolarHBondContact O-CE 3.05Å; E191-K197 WeakPolarHBondContact O-CG 3.46Å; E191-K197 PolarHBondContact O-NZ 2.85Å
192	N	58.3	Low	74.3	Confident	82 Å²	82	20.5 Å²	20.5	44%	0.439	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.3	178.8	-59.6	-29	0	0	0	112.9	A190 V194 K197	A190-N192 PolarHBondContact O-N 3.27Å; N192-V194 PolarHBondContact O-N 3.38Å; N192-K197 PolarHBondContact OD1-NZ 3.03Å
193	S	50.3	Low	74.1	Confident	14 Å²	14	18.1 Å²	18.1	10%	0.098	10%	0.1	C	C	.	.			trans	-59.6	113.5	171.5	-165.2	0	0	0	0	107.4	A190 E191 A195 A196	A190-S193 WeakPolarHBondContact O-CB 3.11Å; A190-S193 PolarHBondContact O-N 3.09Å; E191-S193 VanDerWaalsContact C-N 3.27Å; E191-S193 PolarHBondContact O-N 2.9Å; S193-A195 CarbonylContact O-C 3.4Å; S193-A195 PolarHBondContact O-N 3.15Å; S193-A196 PolarHBondContact O-N 3.38Å
194	V	45	Very low	73.7	Confident	41 Å²	41	16.8 Å²	16.8	25%	0.248	10%	0.095	C	C	.	.	H	α-helix	trans	-47.6	-31	-178.5	179.2	0	0	0	0	111.6	N192 S198 K253 V254	N192-V194 PolarHBondContact O-N 3.38Å; V194-S198 VanDerWaalsContact O-CB 3.28Å; V194-S198 WeakPolarHBondContact O-CB 3.26Å; V194-S198 PolarHBondContact O-N 3.22Å; V194-S198 PolarHBondContact O-OG 3.15Å; V194-K253 HydrophobicContact CG1-CB 4.39Å; V194-V254 HydrophobicContact CB-CB 4.17Å; V194-V254 HydrophobicContact CG1-CB 4.04Å; V194-V254 VanDerWaalsContact CG1-O 3.29Å; V194-V254 WeakPolarHBondContact CG1-O 3.48Å; V194-V254 HydrophobicContact CG2-CB 3.83Å; V194-V254 HydrophobicContact CG2-CG2 3.79Å
195	A	40.5	Very low	73.4	Confident	12 Å²	12	20.4 Å²	20.4	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-51.8	-56.6	169.2	0	0	0	0	0	113.5	K189 S193 L458	K189-A195 HydrophobicContact CD-CB 4.12Å; S193-A195 CarbonylContact O-C 3.4Å; S193-A195 PolarHBondContact O-N 3.15Å; A195-L458 HydrophobicContact CB-CB 4.04Å; A195-L458 HydrophobicContact CB-CD1 3.48Å; A195-L458 VanDerWaalsContact CB-CD1 3.48Å; A195-L458 HydrophobicContact CB-CD2 3.89Å; A195-L458 HydrophobicContact CB-CG 3.99Å; A195-L458 CarbonylContact O-C 3.58Å; A195-L458 WeakPolarHBondContact O-CB 3.36Å
196	A	40.2	Very low	73.2	Confident	3 Å²	3	20.1 Å²	20.1	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-72.7	-33.7	-170.4	0	0	0	0	0	114.2	S193 A461	S193-A196 PolarHBondContact O-N 3.38Å; A196-A461 WeakPolarHBondContact O-CB 3.18Å; A196-A461 PolarHBondContact O-N 3.26Å
197	K	43.5	Very low	73.1	Confident	105 Å²	105	22 Å²	22	46%	0.457	13%	0.13	S	C	.	.	H	α-helix	trans	-97.6	-3.3	-174.8	-75.8	179.6	-178.9	163.5	0	115	E191 N192	E191-K197 WeakPolarHBondContact O-CD 3.29Å; E191-K197 WeakPolarHBondContact O-CE 3.05Å; E191-K197 WeakPolarHBondContact O-CG 3.46Å; E191-K197 PolarHBondContact O-NZ 2.85Å; N192-K197 PolarHBondContact OD1-NZ 3.03Å
198	S	48.9	Very low	73	Confident	2 Å²	2	22 Å²	22	1%	0.014	13%	0.131	C	C	.	.			trans	-103.4	105	-179.8	62.3	0	0	0	0	111.6	V194	V194-S198 VanDerWaalsContact O-CB 3.28Å; V194-S198 WeakPolarHBondContact O-CB 3.26Å; V194-S198 PolarHBondContact O-N 3.22Å; V194-S198 PolarHBondContact O-OG 3.15Å
199	G	62.6	Low	73	Confident	22 Å²	22	23.3 Å²	23.3	23%	0.227	14%	0.137	C	C	.	.			trans	-53.3	171	146.2	0	0	0	0	0	110.1	C201 T270	G199-C201 PolarHBondContact O-N 2.89Å; G199-C201 VanDerWaalsContact O-N 3.09Å; G199-C201 PolarHBondContact O-SG 2.92Å; G199-T270 PolarHBondContact O-OG1 3.22Å
200	G	73.1	Confident	73.4	Confident	4 Å²	4	24.6 Å²	24.6	4%	0.041	14%	0.144	C	C	.	.	S	Bend	trans	-67.1	112.3	179.4	0	0	0	0	0	112	T270 H273 A349	G200-T270 VanDerWaalsContact CA-OG1 3.26Å; G200-T270 WeakPolarHBondContact CA-OG1 3.39Å; G200-H273 WeakPolarHBondContact CA-ND1 3.41Å; G200-H273 PolarHBondContact O-CE1 3.26Å; G200-H273 PolarHBondContact O-ND1 3.44Å; G200-A349 VanDerWaalsContact O-CB 3.29Å; G200-A349 WeakPolarHBondContact O-CB 3.49Å
201	C	88.3	Confident	73.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.			trans	-131	161.3	177.7	-53.7	0	0	0	0	112.2	G199 D246 L269 T270 H273 A347 Y348	G199-C201 PolarHBondContact O-N 2.89Å; G199-C201 VanDerWaalsContact O-N 3.09Å; G199-C201 PolarHBondContact O-SG 2.92Å; C201-D246 PolarHBondContact SG-OD2 3.11Å; C201-L269 WeakPolarHBondContact O-CA 3.49Å; C201-T270 HydrophobicContact CB-CG2 4.03Å; C201-T270 PolarHBondContact N-OG1 3.28Å; C201-T270 PolarHBondContact O-N 3.38Å; C201-T270 PolarHBondContact O-OG1 2.82Å; C201-H273 PolarHBondContact N-ND1 3.05Å; C201-H273 VanDerWaalsContact N-ND1 3.14Å; C201-A347 HydrophobicContact CB-CB 3.91Å; C201-Y348 CarbonylContact C-O 3.54Å; C201-Y348 WeakPolarHBondContact CA-O 3.16Å
202	F	91.8	Very high	74.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-111	156.7	167.9	-58.1	-74.6	0	0	0	110.1	A206 L267 L268 L269 H273 Y348 P350 I357 I359 A364	F202-A206 HydrophobicContact CB-CB 4.34Å; F202-L267 HydrophobicContact CD1-CD1 4.33Å; F202-L267 HydrophobicContact CE1-CD1 4.14Å; F202-L268 WeakPolarHBondContact CD1-O 3.46Å; F202-L269 HydrophobicContact CD1-CB 3.84Å; F202-L269 HydrophobicContact CE1-CB 3.81Å; F202-L269 HydrophobicContact CE1-CD1 4.35Å; F202-H273 AromaticContact CD2-CE1 3.64Å; F202-H273 AromaticContact CE1-CE1 3.98Å; F202-H273 AromaticContact CE1-NE2 3.97Å; F202-H273 AromaticContact CE2-CE1 3.02Å; F202-H273 WeakPolarHBondContact CE2-CE1 3.21Å; F202-H273 AromaticContact CE2-ND1 3.9Å; F202-H273 AromaticContact CE2-NE2 3.21Å; F202-H273 WeakPolarHBondContact CE2-NE2 3.15Å; F202-H273 AromaticContact CZ-CD2 3.62Å; F202-H273 AromaticContact CZ-CE1 3.22Å; F202-H273 WeakPolarHBondContact CZ-CE1 3.38Å; F202-H273 AromaticContact CZ-ND1 3.83Å; F202-H273 AromaticContact CZ-NE2 3.03Å; F202-H273 WeakPolarHBondContact CZ-NE2 2.89Å; F202-Y348 PolarHBondContact N-O 2.89Å; F202-Y348 PolarHBondContact O-N 2.93Å; F202-P350 HydrophobicContact CD2-CG 4.03Å; F202-P350 HydrophobicContact CE2-CG 4.22Å; F202-I357 HydrophobicContact CE2-CG2 4.45Å; F202-I359 HydrophobicContact CD1-CB 4.25Å; F202-I359 HydrophobicContact CD1-CG1 4.12Å; F202-I359 HydrophobicContact CD1-CG2 3.82Å; F202-I359 HydrophobicContact CD2-CD1 4.02Å; F202-I359 HydrophobicContact CD2-CG1 4.02Å; F202-I359 HydrophobicContact CE1-CB 4.09Å; F202-I359 HydrophobicContact CE1-CG1 3.9Å; F202-I359 HydrophobicContact CE1-CG2 4.15Å; F202-I359 HydrophobicContact CE2-CD1 4.17Å; F202-I359 HydrophobicContact CE2-CG1 3.76Å; F202-I359 HydrophobicContact CG-CD1 4.26Å; F202-I359 HydrophobicContact CG-CG1 4.18Å; F202-I359 HydrophobicContact CG-CG2 4.21Å; F202-I359 HydrophobicContact CZ-CB 4.36Å; F202-I359 HydrophobicContact CZ-CG1 3.71Å; F202-A364 HydrophobicContact CE1-CB 4.23Å; F202-A364 HydrophobicContact CZ-CB 3.64Å
203	P	91.7	Very high	76.1	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.013	19%	0.192	C	C	.	.			trans	-71.8	156.3	174.1	30.7	-34.5	0	0	0	111.6	S205 A206 F255 L268 A344	P203-S205 PolarHBondContact O-N 3.46Å; P203-A206 HydrophobicContact CG-CB 4.05Å; P203-A206 VanDerWaalsContact O-CB 3.3Å; P203-A206 WeakPolarHBondContact O-CB 3.28Å; P203-A206 PolarHBondContact O-N 3.34Å; P203-A206 VanDerWaalsContact O-N 3.09Å; P203-F255 HydrophobicContact CB-CD2 4.27Å; P203-F255 HydrophobicContact CB-CE1 4.16Å; P203-F255 HydrophobicContact CB-CE2 3.81Å; P203-F255 HydrophobicContact CB-CZ 3.74Å; P203-F255 HydrophobicContact CG-CD1 4.49Å; P203-F255 HydrophobicContact CG-CE1 4.4Å; P203-F255 HydrophobicContact CG-CZ 4.45Å; P203-L268 WeakPolarHBondContact CD-O 3.37Å; P203-L268 HydrophobicContact CG-CB 3.73Å; P203-L268 HydrophobicContact CG-CD2 4.22Å; P203-A344 HydrophobicContact CB-CB 3.53Å; P203-A344 HydrophobicContact CG-CB 4.39Å
204	G	90.6	Very high	78	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.021	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.6	179.4	0	0	0	0	0	114	A206 K219 A345 Y348	G204-A206 VanDerWaalsContact C-N 3.3Å; G204-K219 WeakPolarHBondContact O-CG 3.29Å; G204-K219 PolarHBondContact O-N 2.84Å; G204-A345 PolarHBondContact N-O 2.63Å; G204-A345 VanDerWaalsContact N-O 3.15Å; G204-Y348 VanDerWaalsContact CA-CD2 3.48Å
205	S	92.5	Very high	80.4	Confident	75 Å²	75	37.3 Å²	37.3	52%	0.524	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.3	177.1	55.3	0	0	0	0	114.3	P203	P203-S205 PolarHBondContact O-N 3.46Å
206	A	94.5	Very high	83	Confident	3 Å²	3	39 Å²	39	3%	0.025	23%	0.23	C	C	.	.			trans	-65.1	156.6	175.1	0	0	0	0	0	111	F202 P203 G204 L217 V218 I359	F202-A206 HydrophobicContact CB-CB 4.34Å; P203-A206 HydrophobicContact CG-CB 4.05Å; P203-A206 VanDerWaalsContact O-CB 3.3Å; P203-A206 WeakPolarHBondContact O-CB 3.28Å; P203-A206 PolarHBondContact O-N 3.34Å; P203-A206 VanDerWaalsContact O-N 3.09Å; G204-A206 VanDerWaalsContact C-N 3.3Å; A206-L217 CarbonylContact O-C 3.59Å; A206-L217 VanDerWaalsContact O-CA 3.31Å; A206-L217 WeakPolarHBondContact O-CA 3.41Å; A206-V218 HydrophobicContact CB-CB 4.45Å; A206-V218 HydrophobicContact CB-CG2 3.8Å; A206-V218 WeakPolarHBondContact O-CG2 3.45Å; A206-V218 PolarHBondContact O-N 3.06Å; A206-I359 HydrophobicContact CB-CG2 3.72Å
207	T	96.2	Very high	85.7	Confident	39 Å²	39	41.6 Å²	41.6	24%	0.239	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.5	-172.8	58.3	0	0	0	0	112.5	K216 L217 I359 N360	T207-K216 CarbonylContact C-O 3.46Å; T207-K216 VanDerWaalsContact CA-O 3.31Å; T207-K216 WeakPolarHBondContact CA-O 3.42Å; T207-L217 HydrophobicContact CG2-CD2 3.97Å; T207-I359 WeakPolarHBondContact O-CA 3.48Å; T207-N360 PolarHBondContact N-OD1 3.49Å; T207-N360 PolarHBondContact O-N 3.47Å; T207-N360 PolarHBondContact OG1-OD1 2.75Å
208	V	96.3	Very high	88.1	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.2	170.5	-62	0	0	0	0	110.1	T215 K216 V218 L221 V227 I357 I359	V208-T215 CarbonylContact O-C 3.43Å; V208-T215 WeakPolarHBondContact O-CA 3.46Å; V208-K216 HydrophobicContact CG2-CB 4.16Å; V208-K216 PolarHBondContact N-O 3.29Å; V208-K216 PolarHBondContact O-N 3.03Å; V208-V218 HydrophobicContact CG1-CG2 4.05Å; V208-L221 HydrophobicContact CG1-CD1 4.34Å; V208-L221 HydrophobicContact CG2-CD1 4.07Å; V208-L221 HydrophobicContact CG2-CD2 3.69Å; V208-L221 HydrophobicContact CG2-CG 4.18Å; V208-V227 HydrophobicContact CB-CG1 4.3Å; V208-V227 HydrophobicContact CG2-CG1 3.85Å; V208-I357 HydrophobicContact CG1-CD1 3.91Å; V208-I357 HydrophobicContact CG1-CG1 4.22Å; V208-I359 HydrophobicContact CG1-CD1 3.52Å
209	H	94.9	Very high	90.2	Very high	27 Å²	27	40.6 Å²	40.6	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.3	174.8	-75.7	-82.3	0	0	0	111.3	G214 T215 V227 L228	H209-G214 PolarHBondContact ND1-O 2.87Å; H209-T215 WeakPolarHBondContact CE1-CG2 3.13Å; H209-T215 WeakPolarHBondContact ND1-CG2 3.42Å; H209-V227 CarbonylContact O-C 3.46Å; H209-V227 WeakPolarHBondContact O-CA 3.44Å; H209-L228 HydrophobicContact CB-CB 3.99Å; H209-L228 HydrophobicContact CB-CD2 4.18Å; H209-L228 PolarHBondContact O-N 3.37Å
210	L	94.6	Very high	91.7	Very high	31 Å²	31	43 Å²	43	16%	0.162	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-95.8	157.5	179.3	-61.2	179	0	0	0	112.2	G213 G214 K216 D225 R226 V227 Y238	L210-G213 PolarHBondContact O-N 3.47Å; L210-G214 PolarHBondContact N-O 2.97Å; L210-K216 HydrophobicContact CD1-CB 4.03Å; L210-K216 HydrophobicContact CD1-CD 4.21Å; L210-K216 HydrophobicContact CD2-CB 4.27Å; L210-K216 HydrophobicContact CD2-CD 4.44Å; L210-K216 HydrophobicContact CG-CB 4.14Å; L210-D225 HydrophobicContact CD2-CB 4.21Å; L210-R226 WeakPolarHBondContact CA-O 3.28Å; L210-V227 HydrophobicContact CD2-CG1 4.05Å; L210-Y238 VanDerWaalsContact O-CE1 3.28Å; L210-Y238 WeakPolarHBondContact O-CE1 3.18Å; L210-Y238 PolarHBondContact O-OH 2.89Å
211	E	92.4	Very high	92.7	Very high	87 Å²	87	42.9 Å²	42.9	41%	0.407	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-40.5	176.4	-175.6	174.2	-137.7	0	0	112.5	G213 R226 Y238	E211-G213 PolarHBondContact O-N 3.14Å; E211-R226 HydrophobicContact CB-CB 3.93Å; E211-R226 PolarHBondContact N-O 3.04Å; E211-R226 IonicContact OE1-CZ 3.58Å; E211-R226 IonicContact OE1-NH1 3.19Å; E211-R226 PolarHBondContact OE1-NH1 3.25Å; E211-R226 IonicContact OE1-NH2 2.92Å; E211-R226 VanDerWaalsContact OE2-CD 3.28Å; E211-R226 WeakPolarHBondContact OE2-CD 3.5Å; E211-R226 IonicContact OE2-CZ 3.3Å; E211-R226 IonicContact OE2-NE 3.72Å; E211-R226 IonicContact OE2-NH1 3.36Å; E211-R226 PolarHBondContact OE2-NH1 3.16Å; E211-Y238 HydrophobicContact CB-CD1 3.67Å; E211-Y238 HydrophobicContact CB-CD2 4.04Å; E211-Y238 HydrophobicContact CB-CE1 4.05Å; E211-Y238 HydrophobicContact CB-CE2 4.38Å; E211-Y238 HydrophobicContact CB-CG 3.65Å; E211-Y238 HydrophobicContact CG-CD1 4.4Å; E211-Y238 HydrophobicContact CG-CD2 3.86Å; E211-Y238 HydrophobicContact CG-CE2 4.29Å; E211-Y238 HydrophobicContact CG-CG 3.9Å
212	Q	87	Confident	92.9	Very high	194 Å²	194	51.5 Å²	51.5	91%	0.907	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	4.1	179.4	-60.4	179.2	2.6	0	0	113.2
213	G	84.3	Confident	92.8	Very high	39 Å²	39	54.6 Å²	54.6	40%	0.402	30%	0.298	S	S	.	.	S	Bend	trans	93.4	165	-174.1	0	0	0	0	0	113.1	L210 E211	L210-G213 PolarHBondContact O-N 3.47Å; E211-G213 PolarHBondContact O-N 3.14Å
214	G	89.9	Confident	92.4	Very high	51 Å²	51	57.5 Å²	57.5	53%	0.526	33%	0.328	S	S	.	.	S	Bend	trans	78.2	-171.9	-179.7	0	0	0	0	0	115	H209 L210	H209-G214 PolarHBondContact ND1-O 2.87Å; L210-G214 PolarHBondContact N-O 2.97Å
215	T	94	Very high	92.5	Very high	84 Å²	84	58.8 Å²	58.8	52%	0.515	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.6	177.1	51.9	0	0	0	0	111	V208 H209	V208-T215 CarbonylContact O-C 3.43Å; V208-T215 WeakPolarHBondContact O-CA 3.46Å; H209-T215 WeakPolarHBondContact CE1-CG2 3.13Å; H209-T215 WeakPolarHBondContact ND1-CG2 3.42Å
216	K	95.4	Very high	92.7	Very high	47 Å²	47	59.5 Å²	59.5	20%	0.204	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.8	174.7	-156.4	179.9	-155.8	173.8	0	109.8	T207 V208 L210 D220 L221 D225	T207-K216 CarbonylContact C-O 3.46Å; T207-K216 VanDerWaalsContact CA-O 3.31Å; T207-K216 WeakPolarHBondContact CA-O 3.42Å; V208-K216 HydrophobicContact CG2-CB 4.16Å; V208-K216 PolarHBondContact N-O 3.29Å; V208-K216 PolarHBondContact O-N 3.03Å; L210-K216 HydrophobicContact CD1-CB 4.03Å; L210-K216 HydrophobicContact CD1-CD 4.21Å; L210-K216 HydrophobicContact CD2-CB 4.27Å; L210-K216 HydrophobicContact CD2-CD 4.44Å; L210-K216 HydrophobicContact CG-CB 4.14Å; K216-D220 WeakPolarHBondContact CE-O 3.22Å; K216-D220 HydrophobicContact CG-CB 4.29Å; K216-D220 PolarHBondContact NZ-O 3.14Å; K216-L221 HydrophobicContact CD-CD2 4.07Å; K216-D225 IonicContact NZ-OD1 3.45Å; K216-D225 PolarHBondContact NZ-OD1 2.79Å; K216-D225 IonicContact NZ-OD2 3.09Å; K216-D225 PolarHBondContact NZ-OD2 2.75Å
217	L	96.3	Very high	92.8	Very high	59 Å²	59	59.4 Å²	59.4	31%	0.309	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	143.5	171.1	-61.1	179.9	0	0	0	110.1	A206 T207 K219 D220	A206-L217 CarbonylContact O-C 3.59Å; A206-L217 VanDerWaalsContact O-CA 3.31Å; A206-L217 WeakPolarHBondContact O-CA 3.41Å; T207-L217 HydrophobicContact CG2-CD2 3.97Å; L217-K219 VanDerWaalsContact C-N 3.26Å; L217-K219 HydrophobicContact CB-CG 4.03Å; L217-K219 VanDerWaalsContact CD1-CE 3.46Å; L217-K219 PolarHBondContact O-N 3.04Å; L217-D220 HydrophobicContact CB-CB 4.45Å; L217-D220 WeakPolarHBondContact CB-OD2 3.11Å; L217-D220 PolarHBondContact O-N 3.11Å
218	V	95.1	Very high	92.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-58.5	-40.5	-179.8	171.2	0	0	0	0	110.7	A206 V208 D220 L221 F244 Y348 I359	A206-V218 HydrophobicContact CB-CB 4.45Å; A206-V218 HydrophobicContact CB-CG2 3.8Å; A206-V218 WeakPolarHBondContact O-CG2 3.45Å; A206-V218 PolarHBondContact O-N 3.06Å; V208-V218 HydrophobicContact CG1-CG2 4.05Å; V218-D220 PolarHBondContact O-N 3.12Å; V218-D220 VanDerWaalsContact O-N 3.15Å; V218-L221 HydrophobicContact CG1-CD1 4.44Å; V218-L221 PolarHBondContact O-N 3.24Å; V218-F244 HydrophobicContact CG1-CE1 4.14Å; V218-F244 VanDerWaalsContact O-CZ 3.23Å; V218-F244 WeakPolarHBondContact O-CZ 3.41Å; V218-Y348 HydrophobicContact CG1-CG 4.15Å; V218-I359 HydrophobicContact CG2-CD1 3.57Å
219	K	93.6	Very high	92.7	Very high	86 Å²	86	57.7 Å²	57.7	37%	0.374	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-60.7	-23.2	177.6	66	173.1	-174.6	148.2	0	114.5	G204 L217 Y348	G204-K219 WeakPolarHBondContact O-CG 3.29Å; G204-K219 PolarHBondContact O-N 2.84Å; L217-K219 VanDerWaalsContact C-N 3.26Å; L217-K219 HydrophobicContact CB-CG 4.03Å; L217-K219 VanDerWaalsContact CD1-CE 3.46Å; L217-K219 PolarHBondContact O-N 3.04Å; K219-Y348 HydrophobicContact CB-CD2 4.47Å; K219-Y348 HydrophobicContact CB-CE1 3.84Å; K219-Y348 HydrophobicContact CB-CE2 3.78Å; K219-Y348 VanDerWaalsContact CB-CZ 3.41Å; K219-Y348 WeakPolarHBondContact CB-OH 3.35Å
220	D	94.3	Very high	92.5	Very high	71 Å²	71	56.5 Å²	56.5	38%	0.38	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-99.5	3.6	-173.7	-62.5	-39.9	0	0	0	112.2	K216 L217 V218	K216-D220 WeakPolarHBondContact CE-O 3.22Å; K216-D220 HydrophobicContact CG-CB 4.29Å; K216-D220 PolarHBondContact NZ-O 3.14Å; L217-D220 HydrophobicContact CB-CB 4.45Å; L217-D220 WeakPolarHBondContact CB-OD2 3.11Å; L217-D220 PolarHBondContact O-N 3.11Å; V218-D220 PolarHBondContact O-N 3.12Å; V218-D220 VanDerWaalsContact O-N 3.15Å
221	L	93.8	Very high	92.2	Very high	3 Å²	3	56 Å²	56	2%	0.016	31%	0.306	C	S	.	.			trans	-65.7	138.5	175.8	-73.3	167.5	0	0	0	111.9	V208 K216 V218 D225 V227 F241 F244 P350	V208-L221 HydrophobicContact CG1-CD1 4.34Å; V208-L221 HydrophobicContact CG2-CD1 4.07Å; V208-L221 HydrophobicContact CG2-CD2 3.69Å; V208-L221 HydrophobicContact CG2-CG 4.18Å; K216-L221 HydrophobicContact CD-CD2 4.07Å; V218-L221 HydrophobicContact CG1-CD1 4.44Å; V218-L221 PolarHBondContact O-N 3.24Å; L221-D225 WeakPolarHBondContact CA-OD2 3.46Å; L221-D225 HydrophobicContact CD2-CB 4.09Å; L221-V227 HydrophobicContact CD2-CG1 3.68Å; L221-F241 HydrophobicContact CB-CD1 4.16Å; L221-F241 HydrophobicContact CB-CD2 4.18Å; L221-F241 HydrophobicContact CB-CE1 3.97Å; L221-F241 HydrophobicContact CB-CE2 4Å; L221-F241 HydrophobicContact CB-CG 4.25Å; L221-F241 HydrophobicContact CB-CZ 3.88Å; L221-F241 HydrophobicContact CD1-CD2 4.04Å; L221-F241 HydrophobicContact CD1-CE2 4.11Å; L221-F244 HydrophobicContact CB-CZ 3.91Å; L221-P350 HydrophobicContact CD1-CB 4.41Å
222	R	92.4	Very high	91.6	Very high	180 Å²	180	56.4 Å²	56.4	68%	0.679	31%	0.311	S	S	*	.			trans	-132.9	145.8	-178.5	-61.9	-176.1	-177.5	-155.4	-1.1	109.9	G224 D225 F241	R222-G224 PolarHBondContact O-N 3.45Å; R222-D225 PolarHBondContact N-OD2 3.33Å; R222-D225 WeakPolarHBondContact O-CB 3.28Å; R222-D225 PolarHBondContact O-N 2.85Å; R222-F241 VanDerWaalsContact C-CD1 3.41Å; R222-F241 VanDerWaalsContact O-CD1 3.32Å; R222-F241 WeakPolarHBondContact O-CD1 3.34Å
223	P	88.7	Confident	91.3	Very high	66 Å²	66	52.7 Å²	52.7	43%	0.429	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	131.9	172.8	-25.7	34.2	0	0	0	111	L242	P223-L242 WeakPolarHBondContact CG-O 3.05Å
224	G	83.4	Confident	91.1	Very high	62 Å²	62	51.7 Å²	51.7	64%	0.639	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-14.1	-173.5	0	0	0	0	0	114.8	R222 R226	R222-G224 PolarHBondContact O-N 3.45Å; G224-R226 PolarHBondContact O-N 3.19Å
225	D	93.6	Very high	91.1	Very high	29 Å²	29	56.5 Å²	56.5	16%	0.155	29%	0.285	C	S	.	.			trans	-65.1	132	166.1	-71.4	-39.1	0	0	0	109.7	L210 K216 L221 R222 F241	L210-D225 HydrophobicContact CD2-CB 4.21Å; K216-D225 IonicContact NZ-OD1 3.45Å; K216-D225 PolarHBondContact NZ-OD1 2.79Å; K216-D225 IonicContact NZ-OD2 3.09Å; K216-D225 PolarHBondContact NZ-OD2 2.75Å; L221-D225 WeakPolarHBondContact CA-OD2 3.46Å; L221-D225 HydrophobicContact CD2-CB 4.09Å; R222-D225 PolarHBondContact N-OD2 3.33Å; R222-D225 WeakPolarHBondContact O-CB 3.28Å; R222-D225 PolarHBondContact O-N 2.85Å; D225-F241 HydrophobicContact CB-CB 4.34Å; D225-F241 WeakPolarHBondContact O-CB 3.42Å; D225-F241 PolarHBondContact O-N 3.26Å
226	R	96.2	Very high	91	Very high	91 Å²	91	54.5 Å²	54.5	34%	0.343	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.6	172.7	-68.2	-168.1	65.4	-149.4	0.4	110.3	L210 E211 G224 Y238 S239 D240	L210-R226 WeakPolarHBondContact CA-O 3.28Å; E211-R226 HydrophobicContact CB-CB 3.93Å; E211-R226 PolarHBondContact N-O 3.04Å; E211-R226 IonicContact OE1-CZ 3.58Å; E211-R226 IonicContact OE1-NH1 3.19Å; E211-R226 PolarHBondContact OE1-NH1 3.25Å; E211-R226 IonicContact OE1-NH2 2.92Å; E211-R226 VanDerWaalsContact OE2-CD 3.28Å; E211-R226 WeakPolarHBondContact OE2-CD 3.5Å; E211-R226 IonicContact OE2-CZ 3.3Å; E211-R226 IonicContact OE2-NE 3.72Å; E211-R226 IonicContact OE2-NH1 3.36Å; E211-R226 PolarHBondContact OE2-NH1 3.16Å; G224-R226 PolarHBondContact O-N 3.19Å; R226-Y238 PolarHBondContact NH2-O 2.55Å; R226-S239 CarbonylContact C-O 3.47Å; R226-S239 WeakPolarHBondContact CA-O 3.33Å; R226-D240 WeakPolarHBondContact CD-OD1 3.28Å; R226-D240 WeakPolarHBondContact CG-OD1 3.31Å; R226-D240 IonicContact NE-OD1 3.35Å
227	V	96.4	Very high	90.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.8	-172.2	-62	0	0	0	0	111.7	V208 H209 L210 L221 A229 Y238 S239 F241 T352 I357	V208-V227 HydrophobicContact CB-CG1 4.3Å; V208-V227 HydrophobicContact CG2-CG1 3.85Å; H209-V227 CarbonylContact O-C 3.46Å; H209-V227 WeakPolarHBondContact O-CA 3.44Å; L210-V227 HydrophobicContact CD2-CG1 4.05Å; L221-V227 HydrophobicContact CD2-CG1 3.68Å; V227-A229 PolarHBondContact O-N 3.08Å; V227-Y238 WeakPolarHBondContact O-CA 3.48Å; V227-S239 PolarHBondContact N-O 3.42Å; V227-S239 PolarHBondContact O-N 2.8Å; V227-F241 HydrophobicContact CG1-CB 4.48Å; V227-T352 HydrophobicContact CG2-CG2 3.54Å; V227-I357 HydrophobicContact CG2-CD1 4.05Å; V227-I357 HydrophobicContact CG2-CG1 4.21Å
228	L	95.6	Very high	90.9	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.1	178.5	-166.5	62.7	0	0	0	110.8	H209 L236 Y238 L358	H209-L228 HydrophobicContact CB-CB 3.99Å; H209-L228 HydrophobicContact CB-CD2 4.18Å; H209-L228 PolarHBondContact O-N 3.37Å; L228-L236 HydrophobicContact CD1-CB 4.17Å; L228-Y238 HydrophobicContact CB-CD1 4.35Å; L228-Y238 HydrophobicContact CB-CE1 3.94Å; L228-Y238 HydrophobicContact CD1-CD1 4.37Å; L228-Y238 HydrophobicContact CD1-CE1 3.98Å; L228-Y238 HydrophobicContact CD1-CE2 4.26Å; L228-L358 HydrophobicContact CB-CB 4.48Å; L228-L358 HydrophobicContact CD2-CD2 3.77Å; L228-L358 HydrophobicContact CG-CD1 4.38Å; L228-L358 HydrophobicContact CG-CD2 3.96Å; L228-L358 WeakPolarHBondContact O-CD1 3.43Å; L228-L358 PolarHBondContact O-N 3.34Å
229	A	94.4	Very high	90.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	178.5	-179.4	0	0	0	0	0	110	V227 L236 L237 Q354 T356 L358	V227-A229 PolarHBondContact O-N 3.08Å; A229-L236 WeakPolarHBondContact O-CA 3.45Å; A229-L237 HydrophobicContact CB-CD1 4.19Å; A229-L237 PolarHBondContact N-O 2.77Å; A229-L237 PolarHBondContact O-N 3.49Å; A229-Q354 HydrophobicContact CB-CB 4.23Å; A229-Q354 HydrophobicContact CB-CG 4.4Å; A229-T356 WeakPolarHBondContact CB-O 3.48Å; A229-L358 VanDerWaalsContact CA-CD1 3.42Å
230	A	91.4	Very high	90.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.1	172.5	0	0	0	0	0	111.1	R235 L236 L330 T356 L363	A230-R235 WeakPolarHBondContact CA-O 3.3Å; A230-L236 HydrophobicContact CB-CD2 4.37Å; A230-L330 HydrophobicContact CB-CD2 4.31Å; A230-T356 PolarHBondContact N-OG1 3.07Å; A230-T356 VanDerWaalsContact N-OG1 3.15Å; A230-T356 PolarHBondContact O-OG1 3.43Å; A230-L363 HydrophobicContact CB-CD1 3.7Å; A230-L363 HydrophobicContact CB-CD2 4.09Å
231	D	87.2	Confident	90.8	Very high	20 Å²	20	51 Å²	51	11%	0.107	26%	0.256	C	S	.	.			trans	-81	177.2	171.3	68.4	10.9	0	0	0	112.9	Q233 G234 R235 L237	D231-Q233 PolarHBondContact O-N 3.19Å; D231-Q233 VanDerWaalsContact O-N 3.09Å; D231-Q233 VanDerWaalsContact OD1-C 3.23Å; D231-Q233 VanDerWaalsContact OD1-CA 3.3Å; D231-Q233 WeakPolarHBondContact OD1-CA 3.43Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.37Å; D231-Q233 PolarHBondContact OD1-N 3.32Å; D231-G234 PolarHBondContact O-N 2.97Å; D231-G234 PolarHBondContact OD1-N 2.86Å; D231-R235 PolarHBondContact N-O 3.08Å; D231-R235 WeakPolarHBondContact OD1-CB 3.49Å; D231-R235 PolarHBondContact OD1-N 3.29Å; D231-R235 IonicContact OD1-NE 2.76Å; D231-R235 IonicContact OD2-CZ 3.25Å; D231-R235 IonicContact OD2-NE 3.22Å; D231-R235 PolarHBondContact OD2-NE 2.57Å; D231-R235 IonicContact OD2-NH2 2.8Å; D231-R235 PolarHBondContact OD2-NH2 2.89Å; D231-L237 HydrophobicContact CB-CD2 3.73Å
232	D	80.4	Confident	90.5	Very high	97 Å²	97	51.2 Å²	51.2	52%	0.519	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.9	177.9	-55.4	-25.8	0	0	0	112.9	A301 L302	D232-A301 HydrophobicContact CB-CB 4.29Å; D232-L302 WeakPolarHBondContact O-CB 3.39Å; D232-L302 PolarHBondContact O-N 2.77Å
233	Q	80	Confident	90.4	Very high	116 Å²	116	43.4 Å²	43.4	54%	0.542	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.1	173.6	-59.7	-173.3	-35	0	0	112.3	D231 R235 L302	D231-Q233 PolarHBondContact O-N 3.19Å; D231-Q233 VanDerWaalsContact O-N 3.09Å; D231-Q233 VanDerWaalsContact OD1-C 3.23Å; D231-Q233 VanDerWaalsContact OD1-CA 3.3Å; D231-Q233 WeakPolarHBondContact OD1-CA 3.43Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.37Å; D231-Q233 PolarHBondContact OD1-N 3.32Å; Q233-R235 HydrophobicContact CB-CG 4.25Å; Q233-R235 PolarHBondContact O-N 2.91Å; Q233-L302 WeakPolarHBondContact O-CD1 3.38Å
234	G	81.6	Confident	90.2	Very high	17 Å²	17	40.3 Å²	40.3	18%	0.175	21%	0.209	C	C	.	.			trans	77.1	13	175.1	0	0	0	0	0	112.4	D231	D231-G234 PolarHBondContact O-N 2.97Å; D231-G234 PolarHBondContact OD1-N 2.86Å
235	R	88.4	Confident	90.1	Very high	152 Å²	152	37.6 Å²	37.6	57%	0.574	18%	0.18	S	C	*	.			trans	-78.7	131.3	174.2	-57.5	-178.9	-59.9	-178.4	-0.1	108	A230 D231 Q233	A230-R235 WeakPolarHBondContact CA-O 3.3Å; D231-R235 PolarHBondContact N-O 3.08Å; D231-R235 WeakPolarHBondContact OD1-CB 3.49Å; D231-R235 PolarHBondContact OD1-N 3.29Å; D231-R235 IonicContact OD1-NE 2.76Å; D231-R235 IonicContact OD2-CZ 3.25Å; D231-R235 IonicContact OD2-NE 3.22Å; D231-R235 PolarHBondContact OD2-NE 2.57Å; D231-R235 IonicContact OD2-NH2 2.8Å; D231-R235 PolarHBondContact OD2-NH2 2.89Å; Q233-R235 HydrophobicContact CB-CG 4.25Å; Q233-R235 PolarHBondContact O-N 2.91Å
236	L	92.1	Very high	89.4	Confident	43 Å²	43	37.9 Å²	37.9	23%	0.225	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.7	176.6	-63.9	177.7	0	0	0	109.8	L228 A229 A230 V321 R328 L330 L358	L228-L236 HydrophobicContact CD1-CB 4.17Å; A229-L236 WeakPolarHBondContact O-CA 3.45Å; A230-L236 HydrophobicContact CB-CD2 4.37Å; L236-V321 HydrophobicContact CD1-CG1 4.22Å; L236-V321 HydrophobicContact CD1-CG2 3.67Å; L236-V321 HydrophobicContact CD2-CG2 3.69Å; L236-V321 HydrophobicContact CG-CG2 4.33Å; L236-R328 HydrophobicContact CD1-CB 3.64Å; L236-R328 WeakPolarHBondContact CD1-O 3.44Å; L236-L330 HydrophobicContact CD2-CB 4.32Å; L236-L330 HydrophobicContact CD2-CD1 4.31Å; L236-L358 HydrophobicContact CD2-CD1 4.4Å; L236-L358 HydrophobicContact CD2-CD2 3.99Å
237	L	94.2	Very high	88.7	Confident	52 Å²	52	36.2 Å²	36.2	27%	0.272	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.6	176.8	65.3	88.9	0	0	0	110.2	A229 D231 Q354	A229-L237 HydrophobicContact CB-CD1 4.19Å; A229-L237 PolarHBondContact N-O 2.77Å; A229-L237 PolarHBondContact O-N 3.49Å; D231-L237 HydrophobicContact CB-CD2 3.73Å; L237-Q354 HydrophobicContact CD1-CB 4.43Å; L237-Q354 HydrophobicContact CD1-CG 4.38Å
238	Y	95.4	Very high	88.1	Confident	53 Å²	53	39.3 Å²	39.3	21%	0.208	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.1	172.2	-74.9	-76.4	0	0	0	110.3	L210 E211 R226 V227 L228 R328	L210-Y238 VanDerWaalsContact O-CE1 3.28Å; L210-Y238 WeakPolarHBondContact O-CE1 3.18Å; L210-Y238 PolarHBondContact O-OH 2.89Å; E211-Y238 HydrophobicContact CB-CD1 3.67Å; E211-Y238 HydrophobicContact CB-CD2 4.04Å; E211-Y238 HydrophobicContact CB-CE1 4.05Å; E211-Y238 HydrophobicContact CB-CE2 4.38Å; E211-Y238 HydrophobicContact CB-CG 3.65Å; E211-Y238 HydrophobicContact CG-CD1 4.4Å; E211-Y238 HydrophobicContact CG-CD2 3.86Å; E211-Y238 HydrophobicContact CG-CE2 4.29Å; E211-Y238 HydrophobicContact CG-CG 3.9Å; R226-Y238 PolarHBondContact NH2-O 2.55Å; V227-Y238 WeakPolarHBondContact O-CA 3.48Å; L228-Y238 HydrophobicContact CB-CD1 4.35Å; L228-Y238 HydrophobicContact CB-CE1 3.94Å; L228-Y238 HydrophobicContact CD1-CD1 4.37Å; L228-Y238 HydrophobicContact CD1-CE1 3.98Å; L228-Y238 HydrophobicContact CD1-CE2 4.26Å; Y238-R328 PolarHBondContact OH-NH1 3.45Å
239	S	94.9	Very high	87.3	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.3	-179.8	179.1	0	0	0	0	110.4	R226 V227 F241 A353 Q354	R226-S239 CarbonylContact C-O 3.47Å; R226-S239 WeakPolarHBondContact CA-O 3.33Å; V227-S239 PolarHBondContact N-O 3.42Å; V227-S239 PolarHBondContact O-N 2.8Å; S239-F241 PolarHBondContact O-N 2.84Å; S239-A353 PolarHBondContact OG-N 3.01Å; S239-Q354 PolarHBondContact OG-N 2.93Å
240	D	93.6	Very high	86.1	Confident	75 Å²	75	46.6 Å²	46.6	40%	0.401	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	130.8	172.5	-60.5	-45.4	0	0	0	110.4	R226 L242 T352 A353	R226-D240 WeakPolarHBondContact CD-OD1 3.28Å; R226-D240 WeakPolarHBondContact CG-OD1 3.31Å; R226-D240 IonicContact NE-OD1 3.35Å; D240-L242 HydrophobicContact CB-CD2 4.17Å; D240-T352 CarbonylContact O-C 3.52Å; D240-T352 WeakPolarHBondContact O-CA 3.27Å; D240-A353 HydrophobicContact CB-CB 4.43Å; D240-A353 PolarHBondContact O-N 2.7Å
241	F	93.7	Very high	85	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.7	161.2	172.5	-94.3	0	0	0	108.6	L221 R222 D225 V227 S239 T243 F244 P350	L221-F241 HydrophobicContact CB-CD1 4.16Å; L221-F241 HydrophobicContact CB-CD2 4.18Å; L221-F241 HydrophobicContact CB-CE1 3.97Å; L221-F241 HydrophobicContact CB-CE2 4Å; L221-F241 HydrophobicContact CB-CG 4.25Å; L221-F241 HydrophobicContact CB-CZ 3.88Å; L221-F241 HydrophobicContact CD1-CD2 4.04Å; L221-F241 HydrophobicContact CD1-CE2 4.11Å; R222-F241 VanDerWaalsContact C-CD1 3.41Å; R222-F241 VanDerWaalsContact O-CD1 3.32Å; R222-F241 WeakPolarHBondContact O-CD1 3.34Å; D225-F241 HydrophobicContact CB-CB 4.34Å; D225-F241 WeakPolarHBondContact O-CB 3.42Å; D225-F241 PolarHBondContact O-N 3.26Å; V227-F241 HydrophobicContact CG1-CB 4.48Å; S239-F241 PolarHBondContact O-N 2.84Å; F241-T243 WeakPolarHBondContact CE2-O 3.34Å; F241-T243 VanDerWaalsContact CZ-C 3.46Å; F241-T243 WeakPolarHBondContact CZ-O 3.23Å; F241-F244 HydrophobicContact CE1-CE2 4.36Å; F241-F244 HydrophobicContact CE2-CD1 4.19Å; F241-F244 AromaticContact CE2-CE1 3.94Å; F241-F244 HydrophobicContact CE2-CE1 3.94Å; F241-F244 HydrophobicContact CE2-CE2 4.46Å; F241-F244 HydrophobicContact CE2-CZ 4.09Å; F241-F244 HydrophobicContact CZ-CD1 4.1Å; F241-F244 AromaticContact CZ-CD2 3.83Å; F241-F244 HydrophobicContact CZ-CD2 3.83Å; F241-F244 AromaticContact CZ-CE1 3.89Å; F241-F244 HydrophobicContact CZ-CE1 3.89Å; F241-F244 AromaticContact CZ-CE2 3.61Å; F241-F244 HydrophobicContact CZ-CE2 3.61Å; F241-F244 HydrophobicContact CZ-CG 4.07Å; F241-F244 AromaticContact CZ-CZ 3.64Å; F241-F244 HydrophobicContact CZ-CZ 3.64Å; F241-P350 HydrophobicContact CD2-CB 4.09Å; F241-P350 HydrophobicContact CE2-CB 3.67Å
242	L	88	Confident	84.4	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-56.6	-175.5	-56	-178.6	0	0	0	110.9	P223 D240 L351 A353 F383 R384 H387	P223-L242 WeakPolarHBondContact CG-O 3.05Å; D240-L242 HydrophobicContact CB-CD2 4.17Å; L242-L351 HydrophobicContact CD1-CD2 4.26Å; L242-L351 HydrophobicContact CD1-CG 4.36Å; L242-L351 PolarHBondContact N-O 3.42Å; L242-A353 HydrophobicContact CD1-CB 4.43Å; L242-A353 HydrophobicContact CD2-CB 4.36Å; L242-F383 HydrophobicContact CB-CE1 4.48Å; L242-R384 HydrophobicContact CD1-CG 3.84Å; L242-H387 HydrophobicContact CD2-CB 4.43Å
243	T	88.8	Confident	83.8	Confident	17 Å²	17	51 Å²	51	10%	0.104	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-178.9	-176.3	-168.4	0	0	0	0	111	F241 L351 F383 I435	F241-T243 WeakPolarHBondContact CE2-O 3.34Å; F241-T243 VanDerWaalsContact CZ-C 3.46Å; F241-T243 WeakPolarHBondContact CZ-O 3.23Å; T243-L351 HydrophobicContact CG2-CD2 4.33Å; T243-L351 WeakPolarHBondContact O-CB 3.48Å; T243-L351 PolarHBondContact O-N 2.94Å; T243-F383 HydrophobicContact CG2-CE1 3.88Å; T243-F383 HydrophobicContact CG2-CZ 3.77Å; T243-I435 HydrophobicContact CG2-CD1 3.87Å; T243-I435 HydrophobicContact CG2-CG1 3.89Å; T243-I435 HydrophobicContact CG2-CG2 4.34Å
244	F	85.6	Confident	83.5	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.7	166.4	-65.1	-74.2	0	0	0	111.1	V218 L221 F241 D246 R247 Y348 A349 P350 G434 I435	V218-F244 HydrophobicContact CG1-CE1 4.14Å; V218-F244 VanDerWaalsContact O-CZ 3.23Å; V218-F244 WeakPolarHBondContact O-CZ 3.41Å; L221-F244 HydrophobicContact CB-CZ 3.91Å; F241-F244 HydrophobicContact CE1-CE2 4.36Å; F241-F244 HydrophobicContact CE2-CD1 4.19Å; F241-F244 AromaticContact CE2-CE1 3.94Å; F241-F244 HydrophobicContact CE2-CE1 3.94Å; F241-F244 HydrophobicContact CE2-CE2 4.46Å; F241-F244 HydrophobicContact CE2-CZ 4.09Å; F241-F244 HydrophobicContact CZ-CD1 4.1Å; F241-F244 AromaticContact CZ-CD2 3.83Å; F241-F244 HydrophobicContact CZ-CD2 3.83Å; F241-F244 AromaticContact CZ-CE1 3.89Å; F241-F244 HydrophobicContact CZ-CE1 3.89Å; F241-F244 AromaticContact CZ-CE2 3.61Å; F241-F244 HydrophobicContact CZ-CE2 3.61Å; F241-F244 HydrophobicContact CZ-CG 4.07Å; F241-F244 AromaticContact CZ-CZ 3.64Å; F241-F244 HydrophobicContact CZ-CZ 3.64Å; F244-D246 VanDerWaalsContact C-N 3.34Å; F244-R247 HydrophobicContact CB-CB 3.96Å; F244-R247 HydrophobicContact CD2-CB 4.48Å; F244-R247 HydrophobicContact CG-CB 4.29Å; F244-Y348 HydrophobicContact CD1-CD1 4.28Å; F244-Y348 AromaticContact CE1-CD1 3.97Å; F244-Y348 HydrophobicContact CE1-CD1 3.97Å; F244-Y348 HydrophobicContact CE1-CG 4.31Å; F244-Y348 HydrophobicContact CZ-CD1 4.07Å; F244-A349 CarbonylContact C-O 3.5Å; F244-A349 WeakPolarHBondContact CA-O 3.38Å; F244-P350 HydrophobicContact CD1-CB 4.26Å; F244-P350 HydrophobicContact CE1-CB 4.12Å; F244-G434 CarbonylContact O-C 3.59Å; F244-G434 WeakPolarHBondContact O-CA 3.45Å; F244-I435 PolarHBondContact O-N 2.87Å
245	L	81.1	Confident	83.5	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-34.9	168.8	-60.6	-175.1	0	0	0	111.8	A349 L351 Y367 F380 I435	L245-A349 HydrophobicContact CB-CB 4.03Å; L245-A349 PolarHBondContact N-O 3.3Å; L245-L351 HydrophobicContact CD1-CD1 4.49Å; L245-L351 HydrophobicContact CD2-CB 4.09Å; L245-L351 HydrophobicContact CD2-CD1 4.4Å; L245-L351 HydrophobicContact CD2-CD2 3.89Å; L245-L351 HydrophobicContact CD2-CG 4.35Å; L245-L351 HydrophobicContact CG-CB 4.1Å; L245-Y367 HydrophobicContact CD1-CD1 4.37Å; L245-F380 HydrophobicContact CD1-CE1 4.42Å; L245-F380 HydrophobicContact CD1-CZ 4.09Å; L245-F380 HydrophobicContact CD2-CD1 4.23Å; L245-F380 HydrophobicContact CD2-CE1 3.39Å; L245-F380 HydrophobicContact CD2-CZ 3.81Å; L245-I435 HydrophobicContact CD2-CD1 3.77Å; L245-I435 HydrophobicContact CD2-CG1 3.94Å
246	D	78.4	Confident	83.4	Confident	36 Å²	36	40.8 Å²	40.8	19%	0.193	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.9	175.9	-166.3	33.5	0	0	0	108.1	C201 F244 K253 Y348 A349 H436	C201-D246 PolarHBondContact SG-OD2 3.11Å; F244-D246 VanDerWaalsContact C-N 3.34Å; D246-K253 IonicContact OD2-NZ 3.76Å; D246-Y348 CarbonylContact O-C 3.51Å; D246-Y348 WeakPolarHBondContact O-CA 3.48Å; D246-A349 HydrophobicContact CB-CB 3.85Å; D246-A349 PolarHBondContact O-N 3.49Å; D246-H436 VanDerWaalsContact CA-CE1 3.5Å; D246-H436 WeakPolarHBondContact CA-CE1 3.5Å; D246-H436 IonicContact OD1-CE1 2.7Å; D246-H436 PolarHBondContact OD1-CE1 3Å; D246-H436 IonicContact OD1-ND1 2.82Å; D246-H436 PolarHBondContact OD1-ND1 3.22Å
247	R	82.5	Confident	83.3	Confident	56 Å²	56	38.8 Å²	38.8	21%	0.211	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	121.6	176	177.5	179	179.8	150.7	17.1	109.2	F244 D249 A347 Y348 H436	F244-R247 HydrophobicContact CB-CB 3.96Å; F244-R247 HydrophobicContact CD2-CB 4.48Å; F244-R247 HydrophobicContact CG-CB 4.29Å; R247-D249 IonicContact CZ-OD1 3.99Å; R247-D249 IonicContact CZ-OD2 3.76Å; R247-D249 IonicContact NE-OD1 2.65Å; R247-D249 PolarHBondContact NE-OD1 2.89Å; R247-D249 IonicContact NE-OD2 3.54Å; R247-D249 PolarHBondContact NE-OD2 3.49Å; R247-D249 IonicContact NH2-OD1 3.2Å; R247-D249 PolarHBondContact NH2-OD1 3.34Å; R247-D249 VanDerWaalsContact NH2-OD1 3.08Å; R247-D249 IonicContact NH2-OD2 3.51Å; R247-A347 WeakPolarHBondContact CA-O 3.11Å; R247-Y348 HydrophobicContact CG-CD1 3.91Å; R247-Y348 HydrophobicContact CG-CE1 3.79Å; R247-H436 PolarHBondContact N-CE1 2.86Å
248	D	81.9	Confident	83.1	Confident	65 Å²	65	36.5 Å²	36.5	35%	0.348	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	101.7	174.6	-172.3	-22.1	0	0	0	108.6	G250 A251 G346 A347	D248-G250 VanDerWaalsContact C-N 3.34Å; D248-G250 PolarHBondContact OD1-N 2.62Å; D248-A251 HydrophobicContact CB-CB 4.19Å; D248-A251 WeakPolarHBondContact OD1-CB 3.28Å; D248-A251 PolarHBondContact OD1-N 2.71Å; D248-A251 VanDerWaalsContact OD2-CB 3.23Å; D248-A251 WeakPolarHBondContact OD2-CB 3.04Å; D248-G346 CarbonylContact O-C 3.56Å; D248-G346 WeakPolarHBondContact O-CA 3.46Å; D248-A347 PolarHBondContact N-O 3.46Å; D248-A347 PolarHBondContact O-N 2.77Å
249	D	80.1	Confident	83	Confident	86 Å²	86	35.9 Å²	35.9	46%	0.46	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-21.2	-176.3	-59.5	-76.3	0	0	0	112.6	R247 Y348	R247-D249 IonicContact CZ-OD1 3.99Å; R247-D249 IonicContact CZ-OD2 3.76Å; R247-D249 IonicContact NE-OD1 2.65Å; R247-D249 PolarHBondContact NE-OD1 2.89Å; R247-D249 IonicContact NE-OD2 3.54Å; R247-D249 PolarHBondContact NE-OD2 3.49Å; R247-D249 IonicContact NH2-OD1 3.2Å; R247-D249 PolarHBondContact NH2-OD1 3.34Å; R247-D249 VanDerWaalsContact NH2-OD1 3.08Å; R247-D249 IonicContact NH2-OD2 3.51Å; D249-Y348 VanDerWaalsContact OD1-CE1 3.3Å; D249-Y348 WeakPolarHBondContact OD1-CE1 3.35Å; D249-Y348 VanDerWaalsContact OD1-CZ 3.31Å; D249-Y348 PolarHBondContact OD1-OH 2.97Å
250	G	69.6	Low	82.9	Confident	71 Å²	71	35.8 Å²	35.8	73%	0.732	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	-16.2	-173	0	0	0	0	0	114.9	D248	D248-G250 VanDerWaalsContact C-N 3.34Å; D248-G250 PolarHBondContact OD1-N 2.62Å
251	A	68.6	Low	82.6	Confident	21 Å²	21	40.1 Å²	40.1	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.8	-179.8	0	0	0	0	0	112.7	D248 K253 G346	D248-A251 HydrophobicContact CB-CB 4.19Å; D248-A251 WeakPolarHBondContact OD1-CB 3.28Å; D248-A251 PolarHBondContact OD1-N 2.71Å; D248-A251 VanDerWaalsContact OD2-CB 3.23Å; D248-A251 WeakPolarHBondContact OD2-CB 3.04Å; A251-K253 HydrophobicContact CB-CG 3.97Å; A251-G346 WeakPolarHBondContact O-CA 3.24Å; A251-G346 PolarHBondContact O-N 2.92Å
252	K	73.1	Confident	82.3	Confident	167 Å²	167	47.2 Å²	47.2	73%	0.726	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.2	156.5	-69.9	-174.6	178.4	-177	0	107.8
253	K	69	Low	82.3	Confident	22 Å²	22	49 Å²	49	10%	0.096	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150	177.2	-60.1	-160.1	-169.7	173.3	0	110.2	V194 D246 A251 F255 E343 A344 A347	V194-K253 HydrophobicContact CG1-CB 4.39Å; D246-K253 IonicContact OD2-NZ 3.76Å; A251-K253 HydrophobicContact CB-CG 3.97Å; K253-F255 HydrophobicContact CB-CE2 3.83Å; K253-F255 HydrophobicContact CB-CZ 4.01Å; K253-F255 WeakPolarHBondContact O-CD2 3.27Å; K253-F255 VanDerWaalsContact O-CE2 3.3Å; K253-F255 WeakPolarHBondContact O-CE2 3.31Å; K253-E343 WeakPolarHBondContact O-CA 3.05Å; K253-A344 PolarHBondContact N-O 3.41Å; K253-A344 PolarHBondContact O-N 3.13Å; K253-A344 VanDerWaalsContact O-N 3.13Å; K253-A347 HydrophobicContact CD-CB 3.41Å; K253-A347 VanDerWaalsContact CD-CB 3.41Å; K253-A347 HydrophobicContact CG-CB 4.09Å; K253-A347 VanDerWaalsContact NZ-CB 3.29Å
254	V	72.3	Confident	82.4	Confident	38 Å²	38	57.5 Å²	57.5	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.1	172	177.6	0	0	0	0	109.2	V194 L340 E343	V194-V254 HydrophobicContact CB-CB 4.17Å; V194-V254 HydrophobicContact CG1-CB 4.04Å; V194-V254 VanDerWaalsContact CG1-O 3.29Å; V194-V254 WeakPolarHBondContact CG1-O 3.48Å; V194-V254 HydrophobicContact CG2-CB 3.83Å; V194-V254 HydrophobicContact CG2-CG2 3.79Å; V254-L340 HydrophobicContact CG1-CD2 4Å; V254-E343 HydrophobicContact CG2-CG 4.04Å
255	F	83.1	Confident	82.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.3	179.5	-66.1	-89.7	0	0	0	111.6	P203 K253 L268 T270 E342 A344	P203-F255 HydrophobicContact CB-CD2 4.27Å; P203-F255 HydrophobicContact CB-CE1 4.16Å; P203-F255 HydrophobicContact CB-CE2 3.81Å; P203-F255 HydrophobicContact CB-CZ 3.74Å; P203-F255 HydrophobicContact CG-CD1 4.49Å; P203-F255 HydrophobicContact CG-CE1 4.4Å; P203-F255 HydrophobicContact CG-CZ 4.45Å; K253-F255 HydrophobicContact CB-CE2 3.83Å; K253-F255 HydrophobicContact CB-CZ 4.01Å; K253-F255 WeakPolarHBondContact O-CD2 3.27Å; K253-F255 VanDerWaalsContact O-CE2 3.3Å; K253-F255 WeakPolarHBondContact O-CE2 3.31Å; F255-L268 HydrophobicContact CB-CB 4.02Å; F255-L268 HydrophobicContact CB-CD2 4.28Å; F255-L268 HydrophobicContact CB-CG 4.22Å; F255-L268 HydrophobicContact CG-CB 4.39Å; F255-T270 HydrophobicContact CD1-CG2 4.15Å; F255-T270 HydrophobicContact CE1-CG2 3.91Å; F255-E342 PolarHBondContact N-O 3.26Å; F255-A344 HydrophobicContact CD2-CB 3.75Å; F255-A344 HydrophobicContact CE2-CB 3.75Å
256	Y	84.6	Confident	83.4	Confident	34 Å²	34	64 Å²	64	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.2	161.3	-77.4	-115	0	0	0	107.6	L268 L269 A271 V338 L340	Y256-L268 VanDerWaalsContact O-CA 3.28Å; Y256-L268 WeakPolarHBondContact O-CA 3.35Å; Y256-L269 WeakPolarHBondContact CA-O 3.32Å; Y256-L269 WeakPolarHBondContact CB-O 3.38Å; Y256-L269 PolarHBondContact N-O 3.04Å; Y256-L269 PolarHBondContact O-N 3.26Å; Y256-A271 HydrophobicContact CD2-CB 4.09Å; Y256-A271 HydrophobicContact CE2-CB 3.41Å; Y256-A271 VanDerWaalsContact CE2-CB 3.41Å; Y256-V338 HydrophobicContact CD1-CG1 4.17Å; Y256-L340 HydrophobicContact CD1-CD1 4.36Å; Y256-L340 HydrophobicContact CD1-CG 4.2Å; Y256-L340 HydrophobicContact CD2-CG 4.13Å; Y256-L340 HydrophobicContact CE1-CD1 3.6Å; Y256-L340 HydrophobicContact CE1-CG 3.9Å; Y256-L340 HydrophobicContact CE2-CD1 3.9Å; Y256-L340 HydrophobicContact CE2-CD2 4.18Å; Y256-L340 HydrophobicContact CE2-CG 3.79Å; Y256-L340 HydrophobicContact CG-CG 4.31Å; Y256-L340 WeakPolarHBondContact OH-CD1 3.39Å
257	V	89.9	Confident	84.1	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.9	175.1	-173.5	0	0	0	0	107.1	E259 R266 L267 L268 V338 T339 E342	V257-E259 HydrophobicContact CG1-CG 3.99Å; V257-R266 HydrophobicContact CG1-CG 3.86Å; V257-L267 WeakPolarHBondContact CA-O 3.3Å; V257-L268 HydrophobicContact CG1-CD1 4.17Å; V257-L268 HydrophobicContact CG2-CD1 4.25Å; V257-L268 HydrophobicContact CG2-CG 4.12Å; V257-V338 WeakPolarHBondContact O-CA 3.23Å; V257-T339 PolarHBondContact N-O 3.25Å; V257-T339 PolarHBondContact O-N 2.94Å; V257-E342 HydrophobicContact CG2-CB 3.97Å
258	I	90.9	Very high	84.6	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.3	173.6	-66.9	170.3	0	0	0	107.7	L267 L269 L275 V312 V335 V338	I258-L267 PolarHBondContact N-O 2.69Å; I258-L267 PolarHBondContact O-N 3.04Å; I258-L269 HydrophobicContact CD1-CD2 3.9Å; I258-L269 HydrophobicContact CG1-CD2 4.38Å; I258-L275 HydrophobicContact CD1-CD1 3.24Å; I258-V312 HydrophobicContact CD1-CB 4.1Å; I258-V312 HydrophobicContact CD1-CG1 4.1Å; I258-V312 HydrophobicContact CD1-CG2 4.24Å; I258-V335 HydrophobicContact CG2-CG1 4.06Å; I258-V335 HydrophobicContact CG2-CG2 4.13Å; I258-V338 HydrophobicContact CG1-CG1 4.24Å; I258-V338 HydrophobicContact CG1-CG2 4.32Å
259	E	93.6	Very high	85	Confident	41 Å²	41	57 Å²	57	19%	0.192	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.7	177.5	-58	-175.4	145.8	0	0	110	V257 E265 R266 H336 S337	V257-E259 HydrophobicContact CG1-CG 3.99Å; E259-E265 WeakPolarHBondContact CA-O 3.34Å; E259-R266 HydrophobicContact CG-CG 4.16Å; E259-R266 IonicContact OE1-NE 3.67Å; E259-R266 PolarHBondContact OE1-NE 3.05Å; E259-H336 PolarHBondContact O-N 3.27Å; E259-S337 WeakPolarHBondContact CB-OG 3.44Å; E259-S337 PolarHBondContact N-O 3.26Å; E259-S337 PolarHBondContact O-N 3.11Å; E259-S337 PolarHBondContact OE2-OG 3.33Å
260	T	92.9	Very high	85.2	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	154.5	177	49	0	0	0	0	110.6	P263 R264 E265 V318 V320 A333 A334	T260-P263 WeakPolarHBondContact CB-O 3.49Å; T260-P263 PolarHBondContact OG1-O 3.45Å; T260-R264 WeakPolarHBondContact O-CA 3.49Å; T260-E265 PolarHBondContact N-O 2.82Å; T260-E265 WeakPolarHBondContact OG1-CA 3.4Å; T260-E265 WeakPolarHBondContact OG1-CB 3.23Å; T260-E265 PolarHBondContact OG1-N 3.23Å; T260-E265 PolarHBondContact OG1-O 2.91Å; T260-E265 VanDerWaalsContact OG1-O 3.12Å; T260-V318 HydrophobicContact CG2-CG2 3.37Å; T260-V320 HydrophobicContact CG2-CG2 4.17Å; T260-A333 HydrophobicContact CG2-CB 3.99Å; T260-A334 CarbonylContact C-O 3.57Å; T260-A334 VanDerWaalsContact CA-O 3.32Å; T260-A334 WeakPolarHBondContact CA-O 3.46Å
261	R	87.9	Confident	85.6	Confident	166 Å²	166	49.8 Å²	49.8	63%	0.626	22%	0.22	S	C	*	.	S	Bend	trans	-82.2	-60.2	-177	-165.6	174.6	-173.8	159.4	3.3	111.9	A334 H336	R261-A334 PolarHBondContact N-O 3.19Å; R261-H336 HydrophobicContact CB-CB 4.18Å
262	E	86.7	Confident	86.1	Confident	152 Å²	152	48.8 Å²	48.8	71%	0.71	21%	0.212	S	C	*	.	S	Bend	trans	-147.1	115.9	-173.9	-76.3	170	-148.4	0	0	109.6
263	P	87.9	Confident	86.8	Confident	44 Å²	44	40.9 Å²	40.9	29%	0.286	18%	0.177	S	C	.	.	S	Bend	cis	-56.5	151.2	-14.4	26.5	-36.1	0	0	0	112.1	T260 E265 V320 A333	T260-P263 WeakPolarHBondContact CB-O 3.49Å; T260-P263 PolarHBondContact OG1-O 3.45Å; P263-E265 PolarHBondContact O-N 3.34Å; P263-V320 HydrophobicContact CB-CG1 4.42Å; P263-V320 HydrophobicContact CG-CB 3.97Å; P263-V320 HydrophobicContact CG-CG1 3.54Å; P263-A333 HydrophobicContact CG-CB 4.41Å
264	R	91.3	Very high	87.7	Confident	197 Å²	197	39.8 Å²	39.8	74%	0.743	17%	0.173	S	C	*	.			trans	-86.5	103.8	179.6	-175.4	178.2	-179.3	168.1	1.2	110.1	T260	T260-R264 WeakPolarHBondContact O-CA 3.49Å
265	E	93.8	Very high	88.5	Confident	40 Å²	40	38 Å²	38	19%	0.187	16%	0.162	C	C	.	.			trans	-124.4	157.5	173.6	-61	-60.3	169.6	0	0	111.9	E259 T260 P263 V320 R361 V362	E259-E265 WeakPolarHBondContact CA-O 3.34Å; T260-E265 PolarHBondContact N-O 2.82Å; T260-E265 WeakPolarHBondContact OG1-CA 3.4Å; T260-E265 WeakPolarHBondContact OG1-CB 3.23Å; T260-E265 PolarHBondContact OG1-N 3.23Å; T260-E265 PolarHBondContact OG1-O 2.91Å; T260-E265 VanDerWaalsContact OG1-O 3.12Å; P263-E265 PolarHBondContact O-N 3.34Å; E265-V320 HydrophobicContact CB-CG1 4.29Å; E265-V320 HydrophobicContact CG-CG1 3.35Å; E265-V320 HydrophobicContact CG-CG2 4.49Å; E265-R361 HydrophobicContact CG-CB 4.37Å; E265-R361 VanDerWaalsContact OE1-CD 3.25Å; E265-R361 WeakPolarHBondContact OE1-CD 3.34Å; E265-R361 IonicContact OE1-NE 3.56Å; E265-R361 PolarHBondContact OE1-NE 3.36Å; E265-V362 HydrophobicContact CB-CG2 3.88Å
266	R	93.1	Very high	88.8	Confident	101 Å²	101	38.3 Å²	38.3	38%	0.381	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.3	-176.7	-174.9	176.8	-164.8	-107.2	-3.4	110.5	V257 E259 L268 E342 N360	V257-R266 HydrophobicContact CG1-CG 3.86Å; E259-R266 HydrophobicContact CG-CG 4.16Å; E259-R266 IonicContact OE1-NE 3.67Å; E259-R266 PolarHBondContact OE1-NE 3.05Å; R266-L268 HydrophobicContact CG-CD1 4.12Å; R266-E342 IonicContact CZ-OE2 3.61Å; R266-E342 IonicContact NH1-OE1 2.72Å; R266-E342 IonicContact NH1-OE2 3.87Å; R266-E342 PolarHBondContact NH1-OE2 3.45Å; R266-E342 IonicContact NH2-OE2 3.73Å; R266-E342 PolarHBondContact NH2-OE2 3.05Å; R266-N360 WeakPolarHBondContact O-CB 3.5Å; R266-N360 PolarHBondContact O-ND2 3.22Å
267	L	93.9	Very high	88.9	Confident	1 Å²	1	37 Å²	37	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.1	-179.5	-178.4	65.3	0	0	0	111.4	F202 V257 I258 L269 L275 I359 V362	F202-L267 HydrophobicContact CD1-CD1 4.33Å; F202-L267 HydrophobicContact CE1-CD1 4.14Å; V257-L267 WeakPolarHBondContact CA-O 3.3Å; I258-L267 PolarHBondContact N-O 2.69Å; I258-L267 PolarHBondContact O-N 3.04Å; L267-L269 HydrophobicContact CD2-CD1 3.94Å; L267-L269 HydrophobicContact CD2-CD2 4.25Å; L267-L269 HydrophobicContact CG-CD2 4.18Å; L267-L275 HydrophobicContact CD2-CD1 4.21Å; L267-L275 HydrophobicContact CD2-CD2 3.46Å; L267-L275 VanDerWaalsContact CD2-CD2 3.46Å; L267-L275 HydrophobicContact CD2-CG 4.43Å; L267-I359 HydrophobicContact CD1-CB 3.79Å; L267-I359 HydrophobicContact CD1-CG2 3.51Å; L267-I359 WeakPolarHBondContact CD1-O 3.38Å; L267-V362 HydrophobicContact CB-CB 4.3Å; L267-V362 HydrophobicContact CB-CG2 4.04Å; L267-V362 HydrophobicContact CD2-CB 3.97Å; L267-V362 HydrophobicContact CD2-CG1 3.83Å
268	L	92	Very high	88.6	Confident	9 Å²	9	37.6 Å²	37.6	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.4	173.2	-84.2	71	0	0	0	110.1	F202 P203 F255 Y256 V257 R266 E342 A344	F202-L268 WeakPolarHBondContact CD1-O 3.46Å; P203-L268 WeakPolarHBondContact CD-O 3.37Å; P203-L268 HydrophobicContact CG-CB 3.73Å; P203-L268 HydrophobicContact CG-CD2 4.22Å; F255-L268 HydrophobicContact CB-CB 4.02Å; F255-L268 HydrophobicContact CB-CD2 4.28Å; F255-L268 HydrophobicContact CB-CG 4.22Å; F255-L268 HydrophobicContact CG-CB 4.39Å; Y256-L268 VanDerWaalsContact O-CA 3.28Å; Y256-L268 WeakPolarHBondContact O-CA 3.35Å; V257-L268 HydrophobicContact CG1-CD1 4.17Å; V257-L268 HydrophobicContact CG2-CD1 4.25Å; V257-L268 HydrophobicContact CG2-CG 4.12Å; R266-L268 HydrophobicContact CG-CD1 4.12Å; L268-E342 HydrophobicContact CD2-CB 4.06Å; L268-E342 HydrophobicContact CD2-CG 4.09Å; L268-A344 HydrophobicContact CD2-CB 4.47Å
269	L	90.1	Very high	87.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.9	179.5	73.8	-178.5	0	0	0	111.8	C201 F202 Y256 I258 L267 H273 L275 A309	C201-L269 WeakPolarHBondContact O-CA 3.49Å; F202-L269 HydrophobicContact CD1-CB 3.84Å; F202-L269 HydrophobicContact CE1-CB 3.81Å; F202-L269 HydrophobicContact CE1-CD1 4.35Å; Y256-L269 WeakPolarHBondContact CA-O 3.32Å; Y256-L269 WeakPolarHBondContact CB-O 3.38Å; Y256-L269 PolarHBondContact N-O 3.04Å; Y256-L269 PolarHBondContact O-N 3.26Å; I258-L269 HydrophobicContact CD1-CD2 3.9Å; I258-L269 HydrophobicContact CG1-CD2 4.38Å; L267-L269 HydrophobicContact CD2-CD1 3.94Å; L267-L269 HydrophobicContact CD2-CD2 4.25Å; L267-L269 HydrophobicContact CG-CD2 4.18Å; L269-H273 HydrophobicContact CB-CB 4.05Å; L269-H273 HydrophobicContact CD1-CB 3.78Å; L269-H273 HydrophobicContact CG-CB 4.02Å; L269-L275 HydrophobicContact CD1-CD1 3.63Å; L269-L275 HydrophobicContact CD1-CD2 3.82Å; L269-L275 HydrophobicContact CD1-CG 3.63Å; L269-L275 HydrophobicContact CD2-CD1 4.41Å; L269-A309 HydrophobicContact CD1-CB 3.87Å; L269-A309 HydrophobicContact CD2-CB 3.97Å; L269-A309 HydrophobicContact CG-CB 3.7Å
270	T	85.1	Confident	86.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.206	C	C	.	.			trans	-71.8	159	178	54.9	0	0	0	0	111.9	G199 G200 C201 F255 A272 H273	G199-T270 PolarHBondContact O-OG1 3.22Å; G200-T270 VanDerWaalsContact CA-OG1 3.26Å; G200-T270 WeakPolarHBondContact CA-OG1 3.39Å; C201-T270 HydrophobicContact CB-CG2 4.03Å; C201-T270 PolarHBondContact N-OG1 3.28Å; C201-T270 PolarHBondContact O-N 3.38Å; C201-T270 PolarHBondContact O-OG1 2.82Å; F255-T270 HydrophobicContact CD1-CG2 4.15Å; F255-T270 HydrophobicContact CE1-CG2 3.91Å; T270-A272 VanDerWaalsContact C-N 3.26Å; T270-A272 PolarHBondContact O-N 3.35Å; T270-A272 VanDerWaalsContact O-N 3.09Å; T270-H273 VanDerWaalsContact O-CB 3.3Å; T270-H273 WeakPolarHBondContact O-CB 3.48Å; T270-H273 PolarHBondContact O-N 3.2Å
271	A	78.2	Confident	84.3	Confident	6 Å²	6	51.1 Å²	51.1	5%	0.05	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-40.4	-176.7	0	0	0	0	0	115.2	Y256 H273 A309 S310 L458	Y256-A271 HydrophobicContact CD2-CB 4.09Å; Y256-A271 HydrophobicContact CE2-CB 3.41Å; Y256-A271 VanDerWaalsContact CE2-CB 3.41Å; A271-H273 VanDerWaalsContact C-N 3.34Å; A271-A309 PolarHBondContact O-N 2.77Å; A271-S310 PolarHBondContact O-N 3.25Å; A271-S310 VanDerWaalsContact O-N 3.08Å; A271-L458 HydrophobicContact CB-CD1 3.82Å
272	A	79.2	Confident	82.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.9	-173.9	0	0	0	0	0	114.1	T270 F308 A368 V369 H456	T270-A272 VanDerWaalsContact C-N 3.26Å; T270-A272 PolarHBondContact O-N 3.35Å; T270-A272 VanDerWaalsContact O-N 3.09Å; A272-F308 WeakPolarHBondContact O-CD1 3.34Å; A272-A368 WeakPolarHBondContact O-CB 3.33Å; A272-V369 PolarHBondContact O-N 3.15Å; A272-H456 HydrophobicContact CB-CB 4.11Å; A272-H456 WeakPolarHBondContact CB-ND1 3.13Å
273	H	87.3	Confident	80	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.8	-178.6	-150.5	113.4	0	0	0	110.7	G200 C201 F202 L269 T270 A271 F308 A309 S365	G200-H273 WeakPolarHBondContact CA-ND1 3.41Å; G200-H273 PolarHBondContact O-CE1 3.26Å; G200-H273 PolarHBondContact O-ND1 3.44Å; C201-H273 PolarHBondContact N-ND1 3.05Å; C201-H273 VanDerWaalsContact N-ND1 3.14Å; F202-H273 AromaticContact CD2-CE1 3.64Å; F202-H273 AromaticContact CE1-CE1 3.98Å; F202-H273 AromaticContact CE1-NE2 3.97Å; F202-H273 AromaticContact CE2-CE1 3.02Å; F202-H273 WeakPolarHBondContact CE2-CE1 3.21Å; F202-H273 AromaticContact CE2-ND1 3.9Å; F202-H273 AromaticContact CE2-NE2 3.21Å; F202-H273 WeakPolarHBondContact CE2-NE2 3.15Å; F202-H273 AromaticContact CZ-CD2 3.62Å; F202-H273 AromaticContact CZ-CE1 3.22Å; F202-H273 WeakPolarHBondContact CZ-CE1 3.38Å; F202-H273 AromaticContact CZ-ND1 3.83Å; F202-H273 AromaticContact CZ-NE2 3.03Å; F202-H273 WeakPolarHBondContact CZ-NE2 2.89Å; L269-H273 HydrophobicContact CB-CB 4.05Å; L269-H273 HydrophobicContact CD1-CB 3.78Å; L269-H273 HydrophobicContact CG-CB 4.02Å; T270-H273 VanDerWaalsContact O-CB 3.3Å; T270-H273 WeakPolarHBondContact O-CB 3.48Å; T270-H273 PolarHBondContact O-N 3.2Å; A271-H273 VanDerWaalsContact C-N 3.34Å; H273-F308 CarbonylContact O-C 3.58Å; H273-F308 WeakPolarHBondContact O-CA 3.21Å; H273-A309 PolarHBondContact O-N 2.89Å; H273-S365 PolarHBondContact NE2-O 2.89Å
274	L	87.1	Confident	77.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.8	-177.3	-67.3	171	0	0	0	113	A306 L307 F308 S365 Y367 I370	L274-A306 HydrophobicContact CB-CB 4.48Å; L274-A306 HydrophobicContact CD2-CB 4.34Å; L274-L307 WeakPolarHBondContact CA-O 3.41Å; L274-F308 HydrophobicContact CD2-CD1 3.46Å; L274-F308 VanDerWaalsContact CD2-CD1 3.46Å; L274-F308 HydrophobicContact CD2-CE1 3.49Å; L274-F308 VanDerWaalsContact CD2-CE1 3.49Å; L274-F308 HydrophobicContact CD2-CG 4.13Å; L274-F308 HydrophobicContact CD2-CZ 4.22Å; L274-F308 HydrophobicContact CG-CD1 4.27Å; L274-F308 HydrophobicContact CG-CE1 4.21Å; L274-S365 PolarHBondContact O-N 2.83Å; L274-Y367 WeakPolarHBondContact CD1-O 3.45Å; L274-I370 WeakPolarHBondContact CD1-O 3.43Å
275	L	89.6	Confident	74.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.5	172	-70.9	170.8	0	0	0	111.2	I258 L267 L269 A306 L307 V312 V362 A364	I258-L275 HydrophobicContact CD1-CD1 3.24Å; L267-L275 HydrophobicContact CD2-CD1 4.21Å; L267-L275 HydrophobicContact CD2-CD2 3.46Å; L267-L275 VanDerWaalsContact CD2-CD2 3.46Å; L267-L275 HydrophobicContact CD2-CG 4.43Å; L269-L275 HydrophobicContact CD1-CD1 3.63Å; L269-L275 HydrophobicContact CD1-CD2 3.82Å; L269-L275 HydrophobicContact CD1-CG 3.63Å; L269-L275 HydrophobicContact CD2-CD1 4.41Å; L275-A306 CarbonylContact O-C 3.49Å; L275-A306 WeakPolarHBondContact O-CA 3.46Å; L275-L307 PolarHBondContact N-O 3.23Å; L275-L307 PolarHBondContact O-N 3.08Å; L275-V312 HydrophobicContact CD1-CG2 4.23Å; L275-V362 HydrophobicContact CD2-CG1 4.47Å; L275-A364 HydrophobicContact CD2-CB 3.82Å
276	F	89.8	Confident	71.7	Confident	7 Å²	7	45.9 Å²	45.9	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.6	175.4	-59.4	-74.1	0	0	0	110	H304 A306 Y319 T356 L363 H373	F276-H304 HydrophobicContact CB-CB 4.45Å; F276-H304 HydrophobicContact CD1-CB 3.71Å; F276-H304 HydrophobicContact CE1-CB 4.33Å; F276-H304 HydrophobicContact CG-CB 4.4Å; F276-A306 HydrophobicContact CD1-CB 4.22Å; F276-A306 HydrophobicContact CE1-CB 4.32Å; F276-Y319 HydrophobicContact CB-CD2 3.96Å; F276-Y319 HydrophobicContact CB-CE2 4.38Å; F276-Y319 WeakPolarHBondContact O-CD2 3.26Å; F276-T356 HydrophobicContact CE2-CG2 3.81Å; F276-T356 HydrophobicContact CZ-CG2 3.79Å; F276-L363 HydrophobicContact CB-CD2 4.33Å; F276-L363 HydrophobicContact CD2-CD2 3.67Å; F276-L363 HydrophobicContact CD2-CG 3.67Å; F276-L363 HydrophobicContact CE2-CD2 4.25Å; F276-L363 HydrophobicContact CE2-CG 4.13Å; F276-L363 HydrophobicContact CG-CD2 4.25Å; F276-H373 HydrophobicContact CE1-CB 4.22Å; F276-H373 AromaticContact CZ-CG 3.97Å; F276-H373 AromaticContact CZ-ND1 3.77Å
277	V	86.8	Confident	68.6	Low	6 Å²	6	49.5 Å²	49.5	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.1	-179.5	-179.5	0	0	0	0	109.3	R305 L307 Q316 R317 V318	V277-R305 PolarHBondContact N-O 3.16Å; V277-L307 HydrophobicContact CB-CD1 4.09Å; V277-L307 HydrophobicContact CG1-CD1 4.36Å; V277-L307 HydrophobicContact CG2-CB 4.11Å; V277-L307 HydrophobicContact CG2-CD1 3.79Å; V277-L307 HydrophobicContact CG2-CG 4.34Å; V277-Q316 HydrophobicContact CG1-CB 4.13Å; V277-R317 CarbonylContact C-O 3.53Å; V277-R317 VanDerWaalsContact CA-O 3.29Å; V277-R317 WeakPolarHBondContact CA-O 3.39Å; V277-R317 WeakPolarHBondContact CG1-O 3.17Å; V277-V318 HydrophobicContact CG2-CG1 4.44Å
278	A	83.1	Confident	65.8	Low	13 Å²	13	54.9 Å²	54.9	11%	0.107	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	147.4	178.3	0	0	0	0	0	111.1	R317 Y319 P332	A278-R317 HydrophobicContact CB-CB 4.07Å; A278-R317 PolarHBondContact N-O 2.69Å; A278-Y319 WeakPolarHBondContact CA-OH 3.48Å; A278-Y319 HydrophobicContact CB-CE1 4.11Å; A278-Y319 HydrophobicContact CB-CE2 3.81Å; A278-Y319 WeakPolarHBondContact CB-OH 3.32Å; A278-P332 HydrophobicContact CB-CB 3.81Å
279	P	73.3	Confident	62.7	Low	79 Å²	79	63.5 Å²	63.5	51%	0.513	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-56.1	148.9	172.5	-20.7	30.7	0	0	0	112.1
280	H	63.4	Low	59.8	Low	124 Å²	124	67.9 Å²	67.9	57%	0.574	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-75.7	131.2	171.6	-152.8	67.7	0	0	0	108.7	D282	H280-D282 IonicContact CD2-OD2 3.86Å; H280-D282 IonicContact NE2-OD2 2.72Å; H280-D282 PolarHBondContact NE2-OD2 3.36Å; H280-D282 PolarHBondContact O-N 2.92Å; H280-D282 VanDerWaalsContact O-N 3.12Å
281	N	50.5	Low	57.2	Low	129 Å²	129	76.8 Å²	76.8	69%	0.69	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	8.2	-173.6	-86.4	4.4	0	0	0	114.6	S283	N281-S283 VanDerWaalsContact C-N 3.3Å; N281-S283 PolarHBondContact O-N 3.25Å
282	D	42.7	Very low	55	Low	128 Å²	128	81.8 Å²	81.8	68%	0.684	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	14.6	-178.5	-67.6	-13.4	0	0	0	113.9	H280	H280-D282 IonicContact CD2-OD2 3.86Å; H280-D282 IonicContact NE2-OD2 2.72Å; H280-D282 PolarHBondContact NE2-OD2 3.36Å; H280-D282 PolarHBondContact O-N 2.92Å; H280-D282 VanDerWaalsContact O-N 3.12Å
283	S	41.3	Very low	52.6	Low	82 Å²	82	85.8 Å²	85.8	57%	0.573	53%	0.532	S	S	*	.			trans	-123.9	59.7	-178.1	-50.3	0	0	0	0	112.1	N281	N281-S283 VanDerWaalsContact C-N 3.3Å; N281-S283 PolarHBondContact O-N 3.25Å
284	A	36.3	Very low	49.9	Very low	111 Å²	111	90 Å²	90	92%	0.917	57%	0.568	S	S	*	*	S	Bend	trans	-82	-0.2	147.9	0	0	0	0	0	111.9
285	A	33.5	Very low	47	Very low	101 Å²	101	93 Å²	93	84%	0.835	60%	0.599	S	S	*	*	S	Bend	trans	-155.6	40	-176.7	0	0	0	0	0	114.7
286	A	29	Very low	43.9	Very low	66 Å²	66	99 Å²	99	55%	0.545	64%	0.637	S	S	.	*			trans	-134.7	118.5	170.1	0	0	0	0	0	110.4
287	E	28.3	Very low	41.2	Very low	177 Å²	177	104.5 Å²	104.5	83%	0.827	67%	0.674	S	S	*	*			trans	-45.4	148.3	173.9	-71.3	-83.2	154	0	0	112.6	E289	E287-E289 PolarHBondContact O-N 3.36Å
288	P	35.5	Very low	38.4	Very low	114 Å²	114	114 Å²	114	74%	0.74	72%	0.715	S	S	*	*			trans	-71.1	103.5	178.4	28.9	-30.8	0	0	0	110.2	A290	P288-A290 PolarHBondContact O-N 2.77Å
289	E	26.6	Very low	35.8	Very low	191 Å²	191	122.4 Å²	122.4	89%	0.893	75%	0.752	S	S	*	*			trans	-62.8	100.4	161.2	-80.8	-78	160	0	0	108.5	E287 F291	E287-E289 PolarHBondContact O-N 3.36Å; E289-F291 PolarHBondContact O-N 3.49Å; E289-F291 VanDerWaalsContact O-N 3.09Å
290	A	28.5	Very low	33.7	Very low	91 Å²	91	122.1 Å²	122.1	75%	0.752	76%	0.763	S	S	*	*			trans	-67.5	100.6	-180	0	0	0	0	0	110.8	P288 S292	P288-A290 PolarHBondContact O-N 2.77Å; A290-S292 PolarHBondContact O-N 3.08Å
291	F	30.7	Very low	32.6	Very low	188 Å²	188	119.1 Å²	119.1	83%	0.825	76%	0.76	S	S	*	*			trans	-79.9	108.1	151.8	-133.3	-97.9	0	0	0	107.6	E289 G293	E289-F291 PolarHBondContact O-N 3.49Å; E289-F291 VanDerWaalsContact O-N 3.09Å; F291-G293 PolarHBondContact O-N 3.25Å
292	S	32.2	Very low	32.6	Very low	111 Å²	111	116 Å²	116	78%	0.776	74%	0.743	S	S	*	*	S	Bend	trans	-58	124.7	-173.6	49	0	0	0	0	113.4	A290	A290-S292 PolarHBondContact O-N 3.08Å
293	G	28.3	Very low	33	Very low	83 Å²	83	112.6 Å²	112.6	86%	0.856	74%	0.738	S	S	*	*	S	Bend	trans	166.2	-15.5	161.9	0	0	0	0	0	120.2	F291	F291-G293 PolarHBondContact O-N 3.25Å
294	A	31.3	Very low	33.9	Very low	90 Å²	90	110.3 Å²	110.3	74%	0.744	72%	0.718	S	S	*	*	S	Bend	trans	-139.3	143.1	-179.9	0	0	0	0	0	111.3
295	G	26.8	Very low	35.8	Very low	63 Å²	63	112.6 Å²	112.6	65%	0.649	70%	0.703	S	S	*	*			trans	-58.7	179.1	-176.8	0	0	0	0	0	114.4
296	P	24.9	Very low	38.1	Very low	125 Å²	125	108.2 Å²	108.2	81%	0.812	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-58.3	135	-171.1	25.7	-32.7	0	0	0	110.4	F298	P296-F298 PolarHBondContact O-N 3.29Å
297	P	31.4	Very low	40.7	Very low	123 Å²	123	105.8 Å²	105.8	80%	0.799	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-66.4	127.3	175.6	26.6	-29.9	0	0	0	108.5	E299	P297-E299 PolarHBondContact O-N 3.25Å
298	F	29.4	Very low	43.3	Very low	204 Å²	204	97.3 Å²	97.3	90%	0.895	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-65.3	118.7	173.6	-142.6	-97.2	0	0	0	108.1	P296 G300	P296-F298 PolarHBondContact O-N 3.29Å; F298-G300 PolarHBondContact O-N 3.25Å
299	E	27.6	Very low	45.6	Very low	191 Å²	191	91.9 Å²	91.9	89%	0.893	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	127.4	175.7	-76.5	179.9	135.1	0	0	110.8	P297	P297-E299 PolarHBondContact O-N 3.25Å
300	G	29.4	Very low	48.1	Very low	72 Å²	72	84.8 Å²	84.8	74%	0.742	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.2	-6.9	160.8	0	0	0	0	0	118.4	F298	F298-G300 PolarHBondContact O-N 3.25Å
301	A	40	Very low	50.6	Low	62 Å²	62	84.6 Å²	84.6	51%	0.512	52%	0.521	S	S	.	.	S	Bend	trans	-116.8	151.6	177.1	0	0	0	0	0	110	D232 G303	D232-A301 HydrophobicContact CB-CB 4.29Å; A301-G303 PolarHBondContact O-N 2.77Å; A301-G303 VanDerWaalsContact O-N 3.08Å
302	L	51.1	Low	53.2	Low	63 Å²	63	76 Å²	76	33%	0.33	48%	0.484	S	S	.	.			trans	-46.6	124.4	179.3	-88.7	145.3	0	0	0	110.2	D232 Q233 H304	D232-L302 WeakPolarHBondContact O-CB 3.39Å; D232-L302 PolarHBondContact O-N 2.77Å; Q233-L302 WeakPolarHBondContact O-CD1 3.38Å; L302-H304 HydrophobicContact CB-CB 4.39Å; L302-H304 WeakPolarHBondContact CB-CD2 3.26Å; L302-H304 VanDerWaalsContact CB-NE2 3.35Å; L302-H304 WeakPolarHBondContact CB-NE2 3.16Å; L302-H304 VanDerWaalsContact CD1-CE1 3.49Å; L302-H304 WeakPolarHBondContact CD1-CE1 3.38Å; L302-H304 WeakPolarHBondContact CD1-NE2 3.35Å; L302-H304 VanDerWaalsContact CD2-CE1 3.48Å; L302-H304 WeakPolarHBondContact CD2-CE1 3.43Å; L302-H304 PolarHBondContact O-N 3.18Å
303	G	50.1	Low	55.7	Low	56 Å²	56	79.1 Å²	79.1	58%	0.577	48%	0.479	S	S	*	.			trans	-67.7	50.7	167.4	0	0	0	0	0	111.1	A301 R305	A301-G303 PolarHBondContact O-N 2.77Å; A301-G303 VanDerWaalsContact O-N 3.08Å; G303-R305 VanDerWaalsContact C-N 3.3Å; G303-R305 PolarHBondContact O-N 2.94Å
304	H	60.6	Low	58.6	Low	35 Å²	35	79.1 Å²	79.1	16%	0.162	46%	0.463	C	S	.	.			trans	-68.9	87.1	177.4	-76.5	-39	0	0	0	108.7	F276 L302 A306 Y319	F276-H304 HydrophobicContact CB-CB 4.45Å; F276-H304 HydrophobicContact CD1-CB 3.71Å; F276-H304 HydrophobicContact CE1-CB 4.33Å; F276-H304 HydrophobicContact CG-CB 4.4Å; L302-H304 HydrophobicContact CB-CB 4.39Å; L302-H304 WeakPolarHBondContact CB-CD2 3.26Å; L302-H304 VanDerWaalsContact CB-NE2 3.35Å; L302-H304 WeakPolarHBondContact CB-NE2 3.16Å; L302-H304 VanDerWaalsContact CD1-CE1 3.49Å; L302-H304 WeakPolarHBondContact CD1-CE1 3.38Å; L302-H304 WeakPolarHBondContact CD1-NE2 3.35Å; L302-H304 VanDerWaalsContact CD2-CE1 3.48Å; L302-H304 WeakPolarHBondContact CD2-CE1 3.43Å; L302-H304 PolarHBondContact O-N 3.18Å; H304-A306 PolarHBondContact O-N 2.89Å; H304-Y319 AromaticContact CE1-CD2 3.87Å; H304-Y319 AromaticContact CE1-CE2 3.43Å; H304-Y319 VanDerWaalsContact CE1-CE2 3.43Å; H304-Y319 WeakPolarHBondContact CE1-CE2 2.88Å; H304-Y319 AromaticContact CE1-CZ 3.49Å; H304-Y319 VanDerWaalsContact CE1-CZ 3.49Å; H304-Y319 AromaticContact ND1-CD2 3.9Å; H304-Y319 AromaticContact ND1-CE2 3.18Å; H304-Y319 WeakPolarHBondContact ND1-CE2 3.45Å; H304-Y319 AromaticContact ND1-CZ 3.5Å
305	R	75.8	Confident	61.1	Low	158 Å²	158	77.1 Å²	77.1	60%	0.596	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	109.1	167.7	-167.2	171.4	71.4	-173.8	2.2	107.8	V277 G303	V277-R305 PolarHBondContact N-O 3.16Å; G303-R305 VanDerWaalsContact C-N 3.3Å; G303-R305 PolarHBondContact O-N 2.94Å
306	A	83.1	Confident	64.1	Low	9 Å²	9	76.3 Å²	76.3	7%	0.074	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135	169.6	0	0	0	0	0	108.8	L274 L275 F276 H304 H373	L274-A306 HydrophobicContact CB-CB 4.48Å; L274-A306 HydrophobicContact CD2-CB 4.34Å; L275-A306 CarbonylContact O-C 3.49Å; L275-A306 WeakPolarHBondContact O-CA 3.46Å; F276-A306 HydrophobicContact CD1-CB 4.22Å; F276-A306 HydrophobicContact CE1-CB 4.32Å; H304-A306 PolarHBondContact O-N 2.89Å; A306-H373 HydrophobicContact CB-CB 4.46Å
307	L	83.1	Confident	67.2	Low	15 Å²	15	73.9 Å²	73.9	8%	0.079	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.5	176.4	-78.6	172.2	0	0	0	109.2	L274 L275 V277	L274-L307 WeakPolarHBondContact CA-O 3.41Å; L275-L307 PolarHBondContact N-O 3.23Å; L275-L307 PolarHBondContact O-N 3.08Å; V277-L307 HydrophobicContact CB-CD1 4.09Å; V277-L307 HydrophobicContact CG1-CD1 4.36Å; V277-L307 HydrophobicContact CG2-CB 4.11Å; V277-L307 HydrophobicContact CG2-CD1 3.79Å; V277-L307 HydrophobicContact CG2-CG 4.34Å
308	F	82.1	Confident	70.1	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	141.9	170.5	-63	-63	0	0	0	110.9	A272 H273 L274 S310 R311 V312 V369 E371 H456	A272-F308 WeakPolarHBondContact O-CD1 3.34Å; H273-F308 CarbonylContact O-C 3.58Å; H273-F308 WeakPolarHBondContact O-CA 3.21Å; L274-F308 HydrophobicContact CD2-CD1 3.46Å; L274-F308 VanDerWaalsContact CD2-CD1 3.46Å; L274-F308 HydrophobicContact CD2-CE1 3.49Å; L274-F308 VanDerWaalsContact CD2-CE1 3.49Å; L274-F308 HydrophobicContact CD2-CG 4.13Å; L274-F308 HydrophobicContact CD2-CZ 4.22Å; L274-F308 HydrophobicContact CG-CD1 4.27Å; L274-F308 HydrophobicContact CG-CE1 4.21Å; F308-S310 PolarHBondContact O-N 2.91Å; F308-S310 VanDerWaalsContact O-N 3.12Å; F308-R311 HydrophobicContact CB-CG 4.37Å; F308-R311 WeakPolarHBondContact O-CA 3.41Å; F308-R311 WeakPolarHBondContact O-CB 3.46Å; F308-R311 PolarHBondContact O-N 3.5Å; F308-V312 PolarHBondContact O-N 2.88Å; F308-V369 WeakPolarHBondContact CZ-O 3.32Å; F308-E371 HydrophobicContact CE2-CB 3.76Å; F308-E371 HydrophobicContact CE2-CG 4.05Å; F308-E371 HydrophobicContact CZ-CB 3.83Å; F308-E371 HydrophobicContact CZ-CG 4.48Å; F308-H456 HydrophobicContact CD1-CB 3.93Å; F308-H456 AromaticContact CD1-CD2 3.79Å; F308-H456 HydrophobicContact CD2-CB 4.22Å; F308-H456 AromaticContact CD2-CD2 3.53Å; F308-H456 HydrophobicContact CE1-CB 3.62Å; F308-H456 HydrophobicContact CE2-CB 3.9Å; F308-H456 HydrophobicContact CG-CB 4.22Å; F308-H456 AromaticContact CG-CD2 3.34Å; F308-H456 WeakPolarHBondContact CG-CD2 3.41Å; F308-H456 HydrophobicContact CZ-CB 3.59Å
309	A	85.1	Confident	73.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-52.9	-35.9	178.1	0	0	0	0	0	112.5	L269 A271 H273 R311 V312	L269-A309 HydrophobicContact CD1-CB 3.87Å; L269-A309 HydrophobicContact CD2-CB 3.97Å; L269-A309 HydrophobicContact CG-CB 3.7Å; A271-A309 PolarHBondContact O-N 2.77Å; H273-A309 PolarHBondContact O-N 2.89Å; A309-R311 PolarHBondContact O-N 3.24Å; A309-V312 PolarHBondContact O-N 2.86Å
310	S	79.4	Confident	76.2	Confident	41 Å²	41	50.1 Å²	50.1	29%	0.287	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23.6	175.6	66.1	0	0	0	0	114.8	A271 F308 H456	A271-S310 PolarHBondContact O-N 3.25Å; A271-S310 VanDerWaalsContact O-N 3.08Å; F308-S310 PolarHBondContact O-N 2.91Å; F308-S310 VanDerWaalsContact O-N 3.12Å; S310-H456 PolarHBondContact OG-NE2 2.94Å
311	R	79.4	Confident	79.2	Confident	88 Å²	88	46.9 Å²	46.9	33%	0.332	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-96.4	-8.5	-179.8	-63.9	-175.3	-178.5	170.8	1.7	112.6	F308 A309 E371	F308-R311 HydrophobicContact CB-CG 4.37Å; F308-R311 WeakPolarHBondContact O-CA 3.41Å; F308-R311 WeakPolarHBondContact O-CB 3.46Å; F308-R311 PolarHBondContact O-N 3.5Å; A309-R311 PolarHBondContact O-N 3.24Å; R311-E371 IonicContact CZ-OE2 3.91Å; R311-E371 IonicContact NH1-OE1 2.76Å; R311-E371 PolarHBondContact NH1-OE1 3.22Å; R311-E371 IonicContact NH1-OE2 3.26Å; R311-E371 PolarHBondContact NH1-OE2 3.42Å
312	V	85.1	Confident	81.4	Confident	7 Å²	7	45 Å²	45	4%	0.042	24%	0.236	C	C	.	.			trans	-68.8	134.2	176.8	178.8	0	0	0	0	109.7	I258 L275 F308 A309 Q316 V335 V338	I258-V312 HydrophobicContact CD1-CB 4.1Å; I258-V312 HydrophobicContact CD1-CG1 4.1Å; I258-V312 HydrophobicContact CD1-CG2 4.24Å; L275-V312 HydrophobicContact CD1-CG2 4.23Å; F308-V312 PolarHBondContact O-N 2.88Å; A309-V312 PolarHBondContact O-N 2.86Å; V312-Q316 VanDerWaalsContact CA-OE1 3.3Å; V312-V335 HydrophobicContact CG1-CG1 4.33Å; V312-V335 HydrophobicContact CG1-CG2 4Å; V312-V338 HydrophobicContact CG1-CG2 4.23Å
313	R	85.8	Confident	82.8	Confident	177 Å²	177	46.7 Å²	46.7	67%	0.668	24%	0.242	S	C	*	.			trans	-125.1	150.3	-179.3	-62	-177.2	-175.4	-130.5	1.1	111.2	G315 Q316	R313-G315 PolarHBondContact O-N 2.96Å; R313-Q316 WeakPolarHBondContact O-CB 3.29Å; R313-Q316 PolarHBondContact O-N 2.81Å
314	P	88.1	Confident	83.7	Confident	83 Å²	83	53.5 Å²	53.5	54%	0.539	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	140.7	167.7	-26.5	35.7	0	0	0	111.9	Q316 V335 V338	P314-Q316 VanDerWaalsContact C-N 3.34Å; P314-V335 WeakPolarHBondContact CA-O 3.41Å; P314-V338 HydrophobicContact CG-CG2 4.44Å
315	G	84.7	Confident	83.9	Confident	48 Å²	48	59.5 Å²	59.5	50%	0.495	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-19.7	-175.8	0	0	0	0	0	115.1	R313 V335	R313-G315 PolarHBondContact O-N 2.96Å; G315-V335 PolarHBondContact N-O 2.85Å
316	Q	89.3	Confident	83.5	Confident	45 Å²	45	55.3 Å²	55.3	21%	0.21	29%	0.29	C	S	.	.			trans	-69.3	162.3	167.2	-67.4	-180	-27.4	0	0	110.7	V277 V312 R313 P314 V335	V277-Q316 HydrophobicContact CG1-CB 4.13Å; V312-Q316 VanDerWaalsContact CA-OE1 3.3Å; R313-Q316 WeakPolarHBondContact O-CB 3.29Å; R313-Q316 PolarHBondContact O-N 2.81Å; P314-Q316 VanDerWaalsContact C-N 3.34Å; Q316-V335 WeakPolarHBondContact O-CB 3.42Å; Q316-V335 WeakPolarHBondContact O-CG2 3.18Å; Q316-V335 PolarHBondContact O-N 3.34Å
317	R	90.7	Very high	83.2	Confident	74 Å²	74	58.4 Å²	58.4	28%	0.279	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.4	-178.2	-61.2	177.6	77.8	179	8.7	110.6	V277 A278 P332 A333	V277-R317 CarbonylContact C-O 3.53Å; V277-R317 VanDerWaalsContact CA-O 3.29Å; V277-R317 WeakPolarHBondContact CA-O 3.39Å; V277-R317 WeakPolarHBondContact CG1-O 3.17Å; A278-R317 HydrophobicContact CB-CB 4.07Å; A278-R317 PolarHBondContact N-O 2.69Å; R317-P332 HydrophobicContact CB-CB 4.26Å; R317-P332 PolarHBondContact NE-O 2.69Å; R317-P332 PolarHBondContact NH2-O 3.03Å; R317-A333 CarbonylContact C-O 3.53Å; R317-A333 VanDerWaalsContact CA-O 3.24Å; R317-A333 WeakPolarHBondContact CA-O 3.14Å
318	V	92.8	Very high	83.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	158.6	174.2	-65.2	0	0	0	0	109.9	T260 V277 V320 P332 A333 V335 V362	T260-V318 HydrophobicContact CG2-CG2 3.37Å; V277-V318 HydrophobicContact CG2-CG1 4.44Å; V318-V320 HydrophobicContact CG2-CG2 4.33Å; V318-P332 CarbonylContact O-C 3.51Å; V318-P332 WeakPolarHBondContact O-CA 3.33Å; V318-A333 PolarHBondContact N-O 3.03Å; V318-A333 PolarHBondContact O-N 3.1Å; V318-V335 HydrophobicContact CG1-CG2 3.81Å; V318-V335 HydrophobicContact CG2-CG2 4.08Å; V318-V362 HydrophobicContact CG2-CG1 4.33Å
319	Y	92.1	Very high	83.5	Confident	19 Å²	19	68.8 Å²	68.8	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128	-179.2	-68.8	-83.1	0	0	0	111.8	F276 A278 H304 L330 P332 L363	F276-Y319 HydrophobicContact CB-CD2 3.96Å; F276-Y319 HydrophobicContact CB-CE2 4.38Å; F276-Y319 WeakPolarHBondContact O-CD2 3.26Å; A278-Y319 WeakPolarHBondContact CA-OH 3.48Å; A278-Y319 HydrophobicContact CB-CE1 4.11Å; A278-Y319 HydrophobicContact CB-CE2 3.81Å; A278-Y319 WeakPolarHBondContact CB-OH 3.32Å; H304-Y319 AromaticContact CE1-CD2 3.87Å; H304-Y319 AromaticContact CE1-CE2 3.43Å; H304-Y319 VanDerWaalsContact CE1-CE2 3.43Å; H304-Y319 WeakPolarHBondContact CE1-CE2 2.88Å; H304-Y319 AromaticContact CE1-CZ 3.49Å; H304-Y319 VanDerWaalsContact CE1-CZ 3.49Å; H304-Y319 AromaticContact ND1-CD2 3.9Å; H304-Y319 AromaticContact ND1-CE2 3.18Å; H304-Y319 WeakPolarHBondContact ND1-CE2 3.45Å; H304-Y319 AromaticContact ND1-CZ 3.5Å; Y319-L330 HydrophobicContact CD1-CD2 3.86Å; Y319-L330 HydrophobicContact CD1-CG 3.98Å; Y319-L330 HydrophobicContact CG-CD2 4.01Å; Y319-L330 HydrophobicContact CG-CG 4.25Å; Y319-P332 HydrophobicContact CE1-CB 4.41Å; Y319-L363 PolarHBondContact O-N 3.28Å
320	V	93.4	Very high	83.7	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.1	-177.1	178.6	0	0	0	0	110.1	T260 P263 E265 V318 L331 A333 R361 V362	T260-V320 HydrophobicContact CG2-CG2 4.17Å; P263-V320 HydrophobicContact CB-CG1 4.42Å; P263-V320 HydrophobicContact CG-CB 3.97Å; P263-V320 HydrophobicContact CG-CG1 3.54Å; E265-V320 HydrophobicContact CB-CG1 4.29Å; E265-V320 HydrophobicContact CG-CG1 3.35Å; E265-V320 HydrophobicContact CG-CG2 4.49Å; V318-V320 HydrophobicContact CG2-CG2 4.33Å; V320-L331 PolarHBondContact N-O 2.86Å; V320-L331 PolarHBondContact O-N 3.37Å; V320-A333 HydrophobicContact CB-CB 4.12Å; V320-A333 HydrophobicContact CG2-CB 3.62Å; V320-R361 CarbonylContact C-O 3.57Å; V320-R361 WeakPolarHBondContact CA-O 3.44Å; V320-V362 HydrophobicContact CG2-CG2 4.18Å
321	V	91.5	Very high	84.2	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.024	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.1	172.4	168.1	0	0	0	0	111.7	L236 R328 R329 L330 L358 R361	L236-V321 HydrophobicContact CD1-CG1 4.22Å; L236-V321 HydrophobicContact CD1-CG2 3.67Å; L236-V321 HydrophobicContact CD2-CG2 3.69Å; L236-V321 HydrophobicContact CG-CG2 4.33Å; V321-R328 HydrophobicContact CG1-CB 4.14Å; V321-R328 HydrophobicContact CG1-CG 4.37Å; V321-R329 WeakPolarHBondContact CA-O 3.38Å; V321-L330 HydrophobicContact CG2-CD1 3.84Å; V321-L358 HydrophobicContact CB-CD2 3.98Å; V321-L358 HydrophobicContact CG2-CD2 3.08Å; V321-L358 HydrophobicContact CG2-CG 4.48Å; V321-R361 PolarHBondContact N-O 2.72Å; V321-R361 PolarHBondContact O-NE 2.91Å; V321-R361 PolarHBondContact O-NH2 3.36Å
322	A	85.3	Confident	84.7	Confident	22 Å²	22	69.7 Å²	69.7	18%	0.182	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.7	164.4	0	0	0	0	0	109.5	R329 L331	A322-R329 PolarHBondContact N-O 3.44Å; A322-R329 PolarHBondContact O-N 3.14Å; A322-L331 HydrophobicContact CB-CD1 3.65Å; A322-L331 HydrophobicContact CB-CG 4.39Å
323	E	81.9	Confident	85	Confident	99 Å²	99	69.4 Å²	69.4	46%	0.463	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120	173	-167.2	161.5	-136.3	0	0	106.7	R328	E323-R328 HydrophobicContact CB-CG 4.38Å; E323-R328 HydrophobicContact CG-CG 4.04Å; E323-R328 IonicContact OE1-CZ 2.79Å; E323-R328 IonicContact OE1-NE 3.43Å; E323-R328 PolarHBondContact OE1-NE 3.42Å; E323-R328 IonicContact OE1-NH2 3.91Å; E323-R328 PolarHBondContact OE1-NH2 3.38Å
324	R	69.2	Low	85.3	Confident	199 Å²	199	62.9 Å²	62.9	75%	0.751	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.1	179.9	-165.2	176.4	-176.4	173.6	2.7	108.3	G326 D327	R324-G326 PolarHBondContact O-N 2.71Å; R324-D327 PolarHBondContact N-O 2.92Å; R324-D327 PolarHBondContact O-N 3Å
325	D	64.9	Low	85.6	Confident	162 Å²	162	59.1 Å²	59.1	87%	0.866	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	36.2	-179.7	-56.1	-36.4	0	0	0	114.2	D327	D325-D327 PolarHBondContact O-N 3.27Å
326	G	67.4	Low	85.8	Confident	70 Å²	70	62.2 Å²	62.2	72%	0.722	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-4.6	-179.8	0	0	0	0	0	115.1	R324	R324-G326 PolarHBondContact O-N 2.71Å
327	D	75.8	Confident	85.7	Confident	74 Å²	74	61.1 Å²	61.1	40%	0.396	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129	174.5	-166.2	17	0	0	0	110.2	R324 D325 R329	R324-D327 PolarHBondContact N-O 2.92Å; R324-D327 PolarHBondContact O-N 3Å; D325-D327 PolarHBondContact O-N 3.27Å; D327-R329 IonicContact OD2-CZ 3.98Å; D327-R329 VanDerWaalsContact OD2-CZ 3.25Å; D327-R329 IonicContact OD2-NE 3.64Å; D327-R329 PolarHBondContact OD2-NE 3.05Å; D327-R329 IonicContact OD2-NH2 2.82Å; D327-R329 PolarHBondContact OD2-NH2 3.34Å
328	R	84.9	Confident	85.5	Confident	73 Å²	73	59.5 Å²	59.5	28%	0.275	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.9	177.8	-69.8	-178.1	-177.3	169.6	2.6	108.6	L236 Y238 V321 E323	L236-R328 HydrophobicContact CD1-CB 3.64Å; L236-R328 WeakPolarHBondContact CD1-O 3.44Å; Y238-R328 PolarHBondContact OH-NH1 3.45Å; V321-R328 HydrophobicContact CG1-CB 4.14Å; V321-R328 HydrophobicContact CG1-CG 4.37Å; E323-R328 HydrophobicContact CB-CG 4.38Å; E323-R328 HydrophobicContact CG-CG 4.04Å; E323-R328 IonicContact OE1-CZ 2.79Å; E323-R328 IonicContact OE1-NE 3.43Å; E323-R328 PolarHBondContact OE1-NE 3.42Å; E323-R328 IonicContact OE1-NH2 3.91Å; E323-R328 PolarHBondContact OE1-NH2 3.38Å
329	R	87.4	Confident	84.9	Confident	159 Å²	159	62.8 Å²	62.8	60%	0.6	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.2	178.9	-63.6	-172.3	-176.9	-173.6	2.2	111.2	V321 A322 D327	V321-R329 WeakPolarHBondContact CA-O 3.38Å; A322-R329 PolarHBondContact N-O 3.44Å; A322-R329 PolarHBondContact O-N 3.14Å; D327-R329 IonicContact OD2-CZ 3.98Å; D327-R329 VanDerWaalsContact OD2-CZ 3.25Å; D327-R329 IonicContact OD2-NE 3.64Å; D327-R329 PolarHBondContact OD2-NE 3.05Å; D327-R329 IonicContact OD2-NH2 2.82Å; D327-R329 PolarHBondContact OD2-NH2 3.34Å
330	L	89.4	Confident	83.6	Confident	26 Å²	26	64.1 Å²	64.1	14%	0.136	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.4	173.3	-164.4	72.4	0	0	0	109	A230 L236 Y319 V321 L363	A230-L330 HydrophobicContact CB-CD2 4.31Å; L236-L330 HydrophobicContact CD2-CB 4.32Å; L236-L330 HydrophobicContact CD2-CD1 4.31Å; Y319-L330 HydrophobicContact CD1-CD2 3.86Å; Y319-L330 HydrophobicContact CD1-CG 3.98Å; Y319-L330 HydrophobicContact CG-CD2 4.01Å; Y319-L330 HydrophobicContact CG-CG 4.25Å; V321-L330 HydrophobicContact CG2-CD1 3.84Å; L330-L363 HydrophobicContact CD1-CB 4.18Å; L330-L363 HydrophobicContact CD2-CD2 3.84Å
331	L	89.9	Confident	82.1	Confident	80 Å²	80	73.3 Å²	73.3	42%	0.419	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.3	-177.6	-62.4	178.9	0	0	0	111	V320 A322 A333	V320-L331 PolarHBondContact N-O 2.86Å; V320-L331 PolarHBondContact O-N 3.37Å; A322-L331 HydrophobicContact CB-CD1 3.65Å; A322-L331 HydrophobicContact CB-CG 4.39Å; L331-A333 PolarHBondContact O-N 3.48Å
332	P	90.2	Very high	80.7	Confident	42 Å²	42	76.2 Å²	76.2	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.3	175.5	27.9	-31.4	0	0	0	111.8	A278 R317 V318 Y319	A278-P332 HydrophobicContact CB-CB 3.81Å; R317-P332 HydrophobicContact CB-CB 4.26Å; R317-P332 PolarHBondContact NE-O 2.69Å; R317-P332 PolarHBondContact NH2-O 3.03Å; V318-P332 CarbonylContact O-C 3.51Å; V318-P332 WeakPolarHBondContact O-CA 3.33Å; Y319-P332 HydrophobicContact CE1-CB 4.41Å
333	A	91.2	Very high	80.1	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.008	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.5	179	0	0	0	0	0	111.5	T260 P263 R317 V318 V320 L331	T260-A333 HydrophobicContact CG2-CB 3.99Å; P263-A333 HydrophobicContact CG-CB 4.41Å; R317-A333 CarbonylContact C-O 3.53Å; R317-A333 VanDerWaalsContact CA-O 3.24Å; R317-A333 WeakPolarHBondContact CA-O 3.14Å; V318-A333 PolarHBondContact N-O 3.03Å; V318-A333 PolarHBondContact O-N 3.1Å; V320-A333 HydrophobicContact CB-CB 4.12Å; V320-A333 HydrophobicContact CG2-CB 3.62Å; L331-A333 PolarHBondContact O-N 3.48Å
334	A	92.3	Very high	79.8	Confident	41 Å²	41	77.5 Å²	77.5	34%	0.339	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.7	178.8	0	0	0	0	0	111.4	T260 R261 H336	T260-A334 CarbonylContact C-O 3.57Å; T260-A334 VanDerWaalsContact CA-O 3.32Å; T260-A334 WeakPolarHBondContact CA-O 3.46Å; R261-A334 PolarHBondContact N-O 3.19Å; A334-H336 PolarHBondContact O-N 2.92Å
335	V	92.4	Very high	80.5	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.024	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	115.8	172.3	178	0	0	0	0	108.2	I258 V312 P314 G315 Q316 V318 V338	I258-V335 HydrophobicContact CG2-CG1 4.06Å; I258-V335 HydrophobicContact CG2-CG2 4.13Å; V312-V335 HydrophobicContact CG1-CG1 4.33Å; V312-V335 HydrophobicContact CG1-CG2 4Å; P314-V335 WeakPolarHBondContact CA-O 3.41Å; G315-V335 PolarHBondContact N-O 2.85Å; Q316-V335 WeakPolarHBondContact O-CB 3.42Å; Q316-V335 WeakPolarHBondContact O-CG2 3.18Å; Q316-V335 PolarHBondContact O-N 3.34Å; V318-V335 HydrophobicContact CG1-CG2 3.81Å; V318-V335 HydrophobicContact CG2-CG2 4.08Å; V335-V338 HydrophobicContact CG1-CG2 3.59Å
336	H	90.8	Very high	81.4	Confident	113 Å²	113	63.8 Å²	63.8	52%	0.523	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-48.3	178.3	175.5	55.9	0	0	0	111.2	E259 R261 A334	E259-H336 PolarHBondContact O-N 3.27Å; R261-H336 HydrophobicContact CB-CB 4.18Å; A334-H336 PolarHBondContact O-N 2.92Å
337	S	87	Confident	82.3	Confident	21 Å²	21	60.5 Å²	60.5	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.5	-175.9	83.5	0	0	0	0	110.4	E259	E259-S337 WeakPolarHBondContact CB-OG 3.44Å; E259-S337 PolarHBondContact N-O 3.26Å; E259-S337 PolarHBondContact O-N 3.11Å; E259-S337 PolarHBondContact OE2-OG 3.33Å
338	V	85.4	Confident	82.9	Confident	41 Å²	41	57.3 Å²	57.3	25%	0.248	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.4	168.4	-175.8	0	0	0	0	106	Y256 V257 I258 V312 P314 V335	Y256-V338 HydrophobicContact CD1-CG1 4.17Å; V257-V338 WeakPolarHBondContact O-CA 3.23Å; I258-V338 HydrophobicContact CG1-CG1 4.24Å; I258-V338 HydrophobicContact CG1-CG2 4.32Å; V312-V338 HydrophobicContact CG1-CG2 4.23Å; P314-V338 HydrophobicContact CG-CG2 4.44Å; V335-V338 HydrophobicContact CG1-CG2 3.59Å
339	T	79.9	Confident	83.1	Confident	68 Å²	68	54.1 Å²	54.1	42%	0.417	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.5	179.8	64.4	0	0	0	0	110	V257	V257-T339 PolarHBondContact N-O 3.25Å; V257-T339 PolarHBondContact O-N 2.94Å
340	L	66.1	Low	83.3	Confident	48 Å²	48	46.5 Å²	46.5	25%	0.251	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	53.3	-165	-154.8	166.5	0	0	0	111.2	L59 V254 Y256	L59-L340 HydrophobicContact CB-CD1 4.47Å; L59-L340 HydrophobicContact CD1-CD1 3.46Å; L59-L340 VanDerWaalsContact CD1-CD1 3.46Å; L59-L340 HydrophobicContact CD1-CD2 3.3Å; L59-L340 HydrophobicContact CD1-CG 3.95Å; V254-L340 HydrophobicContact CG1-CD2 4Å; Y256-L340 HydrophobicContact CD1-CD1 4.36Å; Y256-L340 HydrophobicContact CD1-CG 4.2Å; Y256-L340 HydrophobicContact CD2-CG 4.13Å; Y256-L340 HydrophobicContact CE1-CD1 3.6Å; Y256-L340 HydrophobicContact CE1-CG 3.9Å; Y256-L340 HydrophobicContact CE2-CD1 3.9Å; Y256-L340 HydrophobicContact CE2-CD2 4.18Å; Y256-L340 HydrophobicContact CE2-CG 3.79Å; Y256-L340 HydrophobicContact CG-CG 4.31Å; Y256-L340 WeakPolarHBondContact OH-CD1 3.39Å
341	R	60.3	Low	83.3	Confident	192 Å²	192	45.3 Å²	45.3	73%	0.725	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-157.3	36.6	-159.6	-61.7	-166.4	-175.6	-132.3	3.4	115.8	R64	R64-R341 VanDerWaalsContact NH2-CZ 3.29Å
342	E	63.5	Low	83.4	Confident	65 Å²	65	41.5 Å²	41.5	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.5	166.1	-162.3	166.4	170.4	0	0	111.1	F255 V257 R266 L268	F255-E342 PolarHBondContact N-O 3.26Å; V257-E342 HydrophobicContact CG2-CB 3.97Å; R266-E342 IonicContact CZ-OE2 3.61Å; R266-E342 IonicContact NH1-OE1 2.72Å; R266-E342 IonicContact NH1-OE2 3.87Å; R266-E342 PolarHBondContact NH1-OE2 3.45Å; R266-E342 IonicContact NH2-OE2 3.73Å; R266-E342 PolarHBondContact NH2-OE2 3.05Å; L268-E342 HydrophobicContact CD2-CB 4.06Å; L268-E342 HydrophobicContact CD2-CG 4.09Å
343	E	72.6	Confident	83.3	Confident	137 Å²	137	41.1 Å²	41.1	64%	0.64	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.1	164.9	-71.9	-176	-169.4	0	0	108.2	K253 V254	K253-E343 WeakPolarHBondContact O-CA 3.05Å; V254-E343 HydrophobicContact CG2-CG 4.04Å
344	A	76	Confident	83.2	Confident	11 Å²	11	43.5 Å²	43.5	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153	173.5	0	0	0	0	0	110.2	P203 K253 F255 L268	P203-A344 HydrophobicContact CB-CB 3.53Å; P203-A344 HydrophobicContact CG-CB 4.39Å; K253-A344 PolarHBondContact N-O 3.41Å; K253-A344 PolarHBondContact O-N 3.13Å; K253-A344 VanDerWaalsContact O-N 3.13Å; F255-A344 HydrophobicContact CD2-CB 3.75Å; F255-A344 HydrophobicContact CE2-CB 3.75Å; L268-A344 HydrophobicContact CD2-CB 4.47Å
345	A	82.6	Confident	82.9	Confident	73 Å²	73	41.5 Å²	41.5	60%	0.603	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.1	-179.1	0	0	0	0	0	111	G204	G204-A345 PolarHBondContact N-O 2.63Å; G204-A345 VanDerWaalsContact N-O 3.15Å
346	G	83.3	Confident	82.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.1	157.4	176.6	0	0	0	0	0	114.1	D248 A251	D248-G346 CarbonylContact O-C 3.56Å; D248-G346 WeakPolarHBondContact O-CA 3.46Å; A251-G346 WeakPolarHBondContact O-CA 3.24Å; A251-G346 PolarHBondContact O-N 2.92Å
347	A	86.3	Confident	83.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	122.3	177.9	0	0	0	0	0	110.7	C201 R247 D248 K253	C201-A347 HydrophobicContact CB-CB 3.91Å; R247-A347 WeakPolarHBondContact CA-O 3.11Å; D248-A347 PolarHBondContact N-O 3.46Å; D248-A347 PolarHBondContact O-N 2.77Å; K253-A347 HydrophobicContact CD-CB 3.41Å; K253-A347 VanDerWaalsContact CD-CB 3.41Å; K253-A347 HydrophobicContact CG-CB 4.09Å; K253-A347 VanDerWaalsContact NZ-CB 3.29Å
348	Y	88.5	Confident	83.5	Confident	8 Å²	8	35.3 Å²	35.3	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	-171.5	-57.3	-94.4	0	0	0	110.3	C201 F202 G204 V218 K219 F244 D246 R247 D249 P350	C201-Y348 CarbonylContact C-O 3.54Å; C201-Y348 WeakPolarHBondContact CA-O 3.16Å; F202-Y348 PolarHBondContact N-O 2.89Å; F202-Y348 PolarHBondContact O-N 2.93Å; G204-Y348 VanDerWaalsContact CA-CD2 3.48Å; V218-Y348 HydrophobicContact CG1-CG 4.15Å; K219-Y348 HydrophobicContact CB-CD2 4.47Å; K219-Y348 HydrophobicContact CB-CE1 3.84Å; K219-Y348 HydrophobicContact CB-CE2 3.78Å; K219-Y348 VanDerWaalsContact CB-CZ 3.41Å; K219-Y348 WeakPolarHBondContact CB-OH 3.35Å; F244-Y348 HydrophobicContact CD1-CD1 4.28Å; F244-Y348 AromaticContact CE1-CD1 3.97Å; F244-Y348 HydrophobicContact CE1-CD1 3.97Å; F244-Y348 HydrophobicContact CE1-CG 4.31Å; F244-Y348 HydrophobicContact CZ-CD1 4.07Å; D246-Y348 CarbonylContact O-C 3.51Å; D246-Y348 WeakPolarHBondContact O-CA 3.48Å; R247-Y348 HydrophobicContact CG-CD1 3.91Å; R247-Y348 HydrophobicContact CG-CE1 3.79Å; D249-Y348 VanDerWaalsContact OD1-CE1 3.3Å; D249-Y348 WeakPolarHBondContact OD1-CE1 3.35Å; D249-Y348 VanDerWaalsContact OD1-CZ 3.31Å; D249-Y348 PolarHBondContact OD1-OH 2.97Å; Y348-P350 WeakPolarHBondContact O-CD 3.29Å
349	A	89.9	Confident	84	Confident	5 Å²	5	33.3 Å²	33.3	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	86.8	174.3	0	0	0	0	0	109	G200 F244 L245 D246	G200-A349 VanDerWaalsContact O-CB 3.29Å; G200-A349 WeakPolarHBondContact O-CB 3.49Å; F244-A349 CarbonylContact C-O 3.5Å; F244-A349 WeakPolarHBondContact CA-O 3.38Å; L245-A349 HydrophobicContact CB-CB 4.03Å; L245-A349 PolarHBondContact N-O 3.3Å; D246-A349 HydrophobicContact CB-CB 3.85Å; D246-A349 PolarHBondContact O-N 3.49Å
350	P	91.8	Very high	84.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.6	-176.2	29.3	-34.2	0	0	0	111.3	F202 L221 F241 F244 Y348 I357 C366	F202-P350 HydrophobicContact CD2-CG 4.03Å; F202-P350 HydrophobicContact CE2-CG 4.22Å; L221-P350 HydrophobicContact CD1-CB 4.41Å; F241-P350 HydrophobicContact CD2-CB 4.09Å; F241-P350 HydrophobicContact CE2-CB 3.67Å; F244-P350 HydrophobicContact CD1-CB 4.26Å; F244-P350 HydrophobicContact CE1-CB 4.12Å; Y348-P350 WeakPolarHBondContact O-CD 3.29Å; P350-I357 HydrophobicContact CB-CD1 4.01Å; P350-I357 HydrophobicContact CG-CD1 3.85Å; P350-C366 VanDerWaalsContact O-CB 3.26Å; P350-C366 WeakPolarHBondContact O-CB 3.5Å; P350-C366 PolarHBondContact O-SG 3.26Å
351	L	90.1	Very high	86	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.9	173.9	-178.4	68.2	0	0	0	110.3	L242 T243 L245 C366 Y367 F380 F383	L242-L351 HydrophobicContact CD1-CD2 4.26Å; L242-L351 HydrophobicContact CD1-CG 4.36Å; L242-L351 PolarHBondContact N-O 3.42Å; T243-L351 HydrophobicContact CG2-CD2 4.33Å; T243-L351 WeakPolarHBondContact O-CB 3.48Å; T243-L351 PolarHBondContact O-N 2.94Å; L245-L351 HydrophobicContact CD1-CD1 4.49Å; L245-L351 HydrophobicContact CD2-CB 4.09Å; L245-L351 HydrophobicContact CD2-CD1 4.4Å; L245-L351 HydrophobicContact CD2-CD2 3.89Å; L245-L351 HydrophobicContact CD2-CG 4.35Å; L245-L351 HydrophobicContact CG-CB 4.1Å; L351-C366 HydrophobicContact CD1-CB 4.21Å; L351-Y367 HydrophobicContact CD1-CE1 3.68Å; L351-F380 HydrophobicContact CD2-CD1 4.24Å; L351-F383 HydrophobicContact CD2-CD1 3.8Å; L351-F383 HydrophobicContact CD2-CE1 3.8Å
352	T	91.6	Very high	87.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	160.5	171.2	67	0	0	0	0	111.1	V227 D240 Q354 G355 T356 I357 C366	V227-T352 HydrophobicContact CG2-CG2 3.54Å; D240-T352 CarbonylContact O-C 3.52Å; D240-T352 WeakPolarHBondContact O-CA 3.27Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 PolarHBondContact O-N 2.7Å; T352-G355 PolarHBondContact O-N 3.05Å; T352-G355 PolarHBondContact OG1-N 2.69Å; T352-T356 PolarHBondContact OG1-N 2.86Å; T352-T356 PolarHBondContact OG1-O 3.32Å; T352-I357 HydrophobicContact CG2-CB 4.11Å; T352-I357 HydrophobicContact CG2-CD1 3.96Å; T352-I357 HydrophobicContact CG2-CG1 4.25Å; T352-C366 PolarHBondContact N-SG 3.21Å; T352-C366 PolarHBondContact OG1-SG 2.91Å; T352-C366 VanDerWaalsContact OG1-SG 3.41Å
353	A	88.3	Confident	89.1	Confident	34 Å²	34	20.6 Å²	20.6	28%	0.281	12%	0.116	S	C	.	.	S	Bend	trans	-59.1	-39.2	172.1	0	0	0	0	0	112.3	S239 D240 L242 G355 R384	S239-A353 PolarHBondContact OG-N 3.01Å; D240-A353 HydrophobicContact CB-CB 4.43Å; D240-A353 PolarHBondContact O-N 2.7Å; L242-A353 HydrophobicContact CD1-CB 4.43Å; L242-A353 HydrophobicContact CD2-CB 4.36Å; A353-G355 VanDerWaalsContact C-N 3.3Å; A353-G355 PolarHBondContact O-N 2.94Å; A353-R384 WeakPolarHBondContact O-CD 3.43Å; A353-R384 PolarHBondContact O-NE 3.27Å
354	Q	88.9	Confident	90.1	Very high	51 Å²	51	14 Å²	14	24%	0.238	9%	0.086	C	C	.	.	S	Bend	trans	-71.9	-23.7	177	-168.7	58.1	20.3	0	0	113	A229 L237 S239 T352 T356 H377	A229-Q354 HydrophobicContact CB-CB 4.23Å; A229-Q354 HydrophobicContact CB-CG 4.4Å; L237-Q354 HydrophobicContact CD1-CB 4.43Å; L237-Q354 HydrophobicContact CD1-CG 4.38Å; S239-Q354 PolarHBondContact OG-N 2.93Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 PolarHBondContact O-N 2.7Å; Q354-T356 PolarHBondContact O-N 3.32Å; Q354-H377 PolarHBondContact O-CE1 3.03Å
355	G	86.2	Confident	90.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	79.3	-2.7	-175.8	0	0	0	0	0	114.3	T352 A353 C366 H373	T352-G355 PolarHBondContact O-N 3.05Å; T352-G355 PolarHBondContact OG1-N 2.69Å; A353-G355 VanDerWaalsContact C-N 3.3Å; A353-G355 PolarHBondContact O-N 2.94Å; G355-C366 VanDerWaalsContact O-CB 3.31Å; G355-C366 WeakPolarHBondContact O-CB 3.48Å; G355-C366 PolarHBondContact O-N 2.89Å; G355-H373 PolarHBondContact O-CE1 3.26Å; G355-H373 VanDerWaalsContact O-CE1 3.3Å
356	T	92.7	Very high	91	Very high	6 Å²	6	10.1 Å²	10.1	4%	0.037	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	157.4	169.5	68.1	0	0	0	0	109.9	A229 A230 F276 T352 Q354 A364	A229-T356 WeakPolarHBondContact CB-O 3.48Å; A230-T356 PolarHBondContact N-OG1 3.07Å; A230-T356 VanDerWaalsContact N-OG1 3.15Å; A230-T356 PolarHBondContact O-OG1 3.43Å; F276-T356 HydrophobicContact CE2-CG2 3.81Å; F276-T356 HydrophobicContact CZ-CG2 3.79Å; T352-T356 PolarHBondContact OG1-N 2.86Å; T352-T356 PolarHBondContact OG1-O 3.32Å; Q354-T356 PolarHBondContact O-N 3.32Å; T356-A364 WeakPolarHBondContact CA-O 3.41Å
357	I	94.9	Very high	91	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.1	179.3	-170.3	165.6	0	0	0	110.4	F202 V208 V227 P350 T352 I359 A364	F202-I357 HydrophobicContact CE2-CG2 4.45Å; V208-I357 HydrophobicContact CG1-CD1 3.91Å; V208-I357 HydrophobicContact CG1-CG1 4.22Å; V227-I357 HydrophobicContact CG2-CD1 4.05Å; V227-I357 HydrophobicContact CG2-CG1 4.21Å; P350-I357 HydrophobicContact CB-CD1 4.01Å; P350-I357 HydrophobicContact CG-CD1 3.85Å; T352-I357 HydrophobicContact CG2-CB 4.11Å; T352-I357 HydrophobicContact CG2-CD1 3.96Å; T352-I357 HydrophobicContact CG2-CG1 4.25Å; I357-I359 HydrophobicContact CD1-CD1 4.12Å; I357-I359 HydrophobicContact CG1-CD1 4.27Å; I357-I359 HydrophobicContact CG1-CG1 4.43Å; I357-I359 HydrophobicContact CG2-CD1 4.45Å; I357-I359 HydrophobicContact CG2-CG1 4.03Å; I357-A364 PolarHBondContact N-O 3.11Å; I357-A364 PolarHBondContact O-N 2.9Å
358	L	95.2	Very high	90.4	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.8	173	-78.7	76.6	0	0	0	110.5	L228 A229 L236 V321 V362 L363	L228-L358 HydrophobicContact CB-CB 4.48Å; L228-L358 HydrophobicContact CD2-CD2 3.77Å; L228-L358 HydrophobicContact CG-CD1 4.38Å; L228-L358 HydrophobicContact CG-CD2 3.96Å; L228-L358 WeakPolarHBondContact O-CD1 3.43Å; L228-L358 PolarHBondContact O-N 3.34Å; A229-L358 VanDerWaalsContact CA-CD1 3.42Å; L236-L358 HydrophobicContact CD2-CD1 4.4Å; L236-L358 HydrophobicContact CD2-CD2 3.99Å; V321-L358 HydrophobicContact CB-CD2 3.98Å; V321-L358 HydrophobicContact CG2-CD2 3.08Å; V321-L358 HydrophobicContact CG2-CG 4.48Å; L358-V362 WeakPolarHBondContact CA-O 3.21Å; L358-L363 HydrophobicContact CD1-CD1 3.49Å; L358-L363 VanDerWaalsContact CD1-CD1 3.49Å; L358-L363 HydrophobicContact CG-CD1 4.21Å
359	I	95.4	Very high	89.2	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.1	179.5	-60.3	-77.9	0	0	0	107.9	F202 A206 T207 V208 V218 L267 I357 R361 V362	F202-I359 HydrophobicContact CD1-CB 4.25Å; F202-I359 HydrophobicContact CD1-CG1 4.12Å; F202-I359 HydrophobicContact CD1-CG2 3.82Å; F202-I359 HydrophobicContact CD2-CD1 4.02Å; F202-I359 HydrophobicContact CD2-CG1 4.02Å; F202-I359 HydrophobicContact CE1-CB 4.09Å; F202-I359 HydrophobicContact CE1-CG1 3.9Å; F202-I359 HydrophobicContact CE1-CG2 4.15Å; F202-I359 HydrophobicContact CE2-CD1 4.17Å; F202-I359 HydrophobicContact CE2-CG1 3.76Å; F202-I359 HydrophobicContact CG-CD1 4.26Å; F202-I359 HydrophobicContact CG-CG1 4.18Å; F202-I359 HydrophobicContact CG-CG2 4.21Å; F202-I359 HydrophobicContact CZ-CB 4.36Å; F202-I359 HydrophobicContact CZ-CG1 3.71Å; A206-I359 HydrophobicContact CB-CG2 3.72Å; T207-I359 WeakPolarHBondContact O-CA 3.48Å; V208-I359 HydrophobicContact CG1-CD1 3.52Å; V218-I359 HydrophobicContact CG2-CD1 3.57Å; L267-I359 HydrophobicContact CD1-CB 3.79Å; L267-I359 HydrophobicContact CD1-CG2 3.51Å; L267-I359 WeakPolarHBondContact CD1-O 3.38Å; I357-I359 HydrophobicContact CD1-CD1 4.12Å; I357-I359 HydrophobicContact CG1-CD1 4.27Å; I357-I359 HydrophobicContact CG1-CG1 4.43Å; I357-I359 HydrophobicContact CG2-CD1 4.45Å; I357-I359 HydrophobicContact CG2-CG1 4.03Å; I359-R361 PolarHBondContact O-N 3.49Å; I359-R361 VanDerWaalsContact O-N 3.12Å; I359-V362 PolarHBondContact N-O 3.18Å; I359-V362 PolarHBondContact O-N 3.15Å
360	N	94.6	Very high	87.8	Confident	34 Å²	34	10.3 Å²	10.3	18%	0.182	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	43.2	-172.7	-64.2	3	0	0	0	111.6	T207 R266 V362	T207-N360 PolarHBondContact N-OD1 3.49Å; T207-N360 PolarHBondContact O-N 3.47Å; T207-N360 PolarHBondContact OG1-OD1 2.75Å; R266-N360 WeakPolarHBondContact O-CB 3.5Å; R266-N360 PolarHBondContact O-ND2 3.22Å; N360-V362 PolarHBondContact O-N 3.26Å; N360-V362 VanDerWaalsContact O-N 3.09Å
361	R	93.3	Very high	86.3	Confident	65 Å²	65	12.4 Å²	12.4	25%	0.245	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	4.1	-179.3	-51	169.3	64.1	125.1	9	115.6	E265 V320 V321 I359	E265-R361 HydrophobicContact CG-CB 4.37Å; E265-R361 VanDerWaalsContact OE1-CD 3.25Å; E265-R361 WeakPolarHBondContact OE1-CD 3.34Å; E265-R361 IonicContact OE1-NE 3.56Å; E265-R361 PolarHBondContact OE1-NE 3.36Å; V320-R361 CarbonylContact C-O 3.57Å; V320-R361 WeakPolarHBondContact CA-O 3.44Å; V321-R361 PolarHBondContact N-O 2.72Å; V321-R361 PolarHBondContact O-NE 2.91Å; V321-R361 PolarHBondContact O-NH2 3.36Å; I359-R361 PolarHBondContact O-N 3.49Å; I359-R361 VanDerWaalsContact O-N 3.12Å
362	V	94.5	Very high	85.4	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.024	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.4	174.8	-172.5	0	0	0	0	109.8	E265 L267 L275 V318 V320 L358 I359 N360	E265-V362 HydrophobicContact CB-CG2 3.88Å; L267-V362 HydrophobicContact CB-CB 4.3Å; L267-V362 HydrophobicContact CB-CG2 4.04Å; L267-V362 HydrophobicContact CD2-CB 3.97Å; L267-V362 HydrophobicContact CD2-CG1 3.83Å; L275-V362 HydrophobicContact CD2-CG1 4.47Å; V318-V362 HydrophobicContact CG2-CG1 4.33Å; V320-V362 HydrophobicContact CG2-CG2 4.18Å; L358-V362 WeakPolarHBondContact CA-O 3.21Å; I359-V362 PolarHBondContact N-O 3.18Å; I359-V362 PolarHBondContact O-N 3.15Å; N360-V362 PolarHBondContact O-N 3.26Å; N360-V362 VanDerWaalsContact O-N 3.09Å
363	L	94.2	Very high	84.6	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.2	178.8	-177.2	70.8	0	0	0	110.9	A230 F276 Y319 L330 L358	A230-L363 HydrophobicContact CB-CD1 3.7Å; A230-L363 HydrophobicContact CB-CD2 4.09Å; F276-L363 HydrophobicContact CB-CD2 4.33Å; F276-L363 HydrophobicContact CD2-CD2 3.67Å; F276-L363 HydrophobicContact CD2-CG 3.67Å; F276-L363 HydrophobicContact CE2-CD2 4.25Å; F276-L363 HydrophobicContact CE2-CG 4.13Å; F276-L363 HydrophobicContact CG-CD2 4.25Å; Y319-L363 PolarHBondContact O-N 3.28Å; L330-L363 HydrophobicContact CD1-CB 4.18Å; L330-L363 HydrophobicContact CD2-CD2 3.84Å; L358-L363 HydrophobicContact CD1-CD1 3.49Å; L358-L363 VanDerWaalsContact CD1-CD1 3.49Å; L358-L363 HydrophobicContact CG-CD1 4.21Å
364	A	93.2	Very high	83.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.9	175.8	0	0	0	0	0	111.3	F202 L275 T356 I357	F202-A364 HydrophobicContact CE1-CB 4.23Å; F202-A364 HydrophobicContact CZ-CB 3.64Å; L275-A364 HydrophobicContact CD2-CB 3.82Å; T356-A364 WeakPolarHBondContact CA-O 3.41Å; I357-A364 PolarHBondContact N-O 3.11Å; I357-A364 PolarHBondContact O-N 2.9Å
365	S	90.7	Very high	83.2	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	141.8	172.4	157.8	0	0	0	0	109.4	H273 L274 Y367 H373	H273-S365 PolarHBondContact NE2-O 2.89Å; L274-S365 PolarHBondContact O-N 2.83Å; S365-Y367 PolarHBondContact O-N 3.46Å; S365-Y367 PolarHBondContact OG-N 2.86Å; S365-Y367 PolarHBondContact OG-O 2.84Å; S365-H373 PolarHBondContact OG-ND1 2.87Å; S365-H373 VanDerWaalsContact OG-ND1 3.08Å
366	C	87.6	Confident	82.6	Confident	2 Å²	2	23 Å²	23	1%	0.014	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-12.9	170.8	-68.8	0	0	0	0	113	P350 L351 T352 G355	P350-C366 VanDerWaalsContact O-CB 3.26Å; P350-C366 WeakPolarHBondContact O-CB 3.5Å; P350-C366 PolarHBondContact O-SG 3.26Å; L351-C366 HydrophobicContact CD1-CB 4.21Å; T352-C366 PolarHBondContact N-SG 3.21Å; T352-C366 PolarHBondContact OG1-SG 2.91Å; T352-C366 VanDerWaalsContact OG1-SG 3.41Å; G355-C366 VanDerWaalsContact O-CB 3.31Å; G355-C366 WeakPolarHBondContact O-CB 3.48Å; G355-C366 PolarHBondContact O-N 2.89Å
367	Y	82.5	Confident	82	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	156.3	-179.4	-47.8	-64.4	0	0	0	112.1	L245 L274 L351 S365 H373 A376 H377 F380 R384	L245-Y367 HydrophobicContact CD1-CD1 4.37Å; L274-Y367 WeakPolarHBondContact CD1-O 3.45Å; L351-Y367 HydrophobicContact CD1-CE1 3.68Å; S365-Y367 PolarHBondContact O-N 3.46Å; S365-Y367 PolarHBondContact OG-N 2.86Å; S365-Y367 PolarHBondContact OG-O 2.84Å; Y367-H373 AromaticContact CD2-CE1 3.77Å; Y367-H373 AromaticContact CD2-ND1 3.61Å; Y367-H373 AromaticContact CE2-CE1 3.79Å; Y367-A376 HydrophobicContact CD1-CB 4.08Å; Y367-A376 HydrophobicContact CD2-CB 3.86Å; Y367-A376 HydrophobicContact CG-CB 3.56Å; Y367-H377 HydrophobicContact CD2-CB 4.42Å; Y367-H377 VanDerWaalsContact CE2-CA 3.48Å; Y367-H377 HydrophobicContact CE2-CB 3.63Å; Y367-H377 AromaticContact CE2-ND1 3.64Å; Y367-H377 AromaticContact CZ-ND1 3.83Å; Y367-H377 PolarHBondContact OH-ND1 2.87Å; Y367-H377 VanDerWaalsContact OH-ND1 3.14Å; Y367-F380 AromaticContact CD1-CD2 3.91Å; Y367-F380 HydrophobicContact CD1-CD2 3.91Å; Y367-F380 AromaticContact CD1-CE2 4Å; Y367-F380 HydrophobicContact CD1-CE2 4Å; Y367-F380 HydrophobicContact CE1-CB 4.16Å; Y367-F380 AromaticContact CE1-CD2 3.48Å; Y367-F380 HydrophobicContact CE1-CD2 3.48Å; Y367-F380 VanDerWaalsContact CE1-CD2 3.48Å; Y367-F380 AromaticContact CE1-CE2 3.98Å; Y367-F380 HydrophobicContact CE1-CE2 3.98Å; Y367-F380 AromaticContact CE1-CG 3.84Å; Y367-F380 HydrophobicContact CE1-CG 3.84Å; Y367-R384 PolarHBondContact OH-NH1 3.22Å
368	A	75	Confident	81.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	-179.4	-178.5	0	0	0	0	0	109.9	A272 I370 Y443	A272-A368 WeakPolarHBondContact O-CB 3.33Å; A368-I370 PolarHBondContact O-N 3.23Å; A368-Y443 WeakPolarHBondContact O-CE1 3.26Å; A368-Y443 PolarHBondContact O-OH 3.3Å
369	V	62	Low	80.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.158	C	C	.	.	S	Bend	trans	69.3	-39.1	174.1	-173.4	0	0	0	0	114.5	A272 F308 Y443 L455 H456 M460	A272-V369 PolarHBondContact O-N 3.15Å; F308-V369 WeakPolarHBondContact CZ-O 3.32Å; V369-Y443 HydrophobicContact CB-CD1 4.05Å; V369-Y443 HydrophobicContact CB-CE1 3.85Å; V369-Y443 HydrophobicContact CG1-CD1 4.19Å; V369-Y443 HydrophobicContact CG1-CE1 4.49Å; V369-Y443 HydrophobicContact CG1-CG 4.4Å; V369-Y443 HydrophobicContact CG2-CD2 4.48Å; V369-Y443 HydrophobicContact CG2-CE1 4.25Å; V369-Y443 HydrophobicContact CG2-CE2 4.12Å; V369-L455 HydrophobicContact CG1-CD2 4.32Å; V369-L455 CarbonylContact O-C 3.32Å; V369-L455 VanDerWaalsContact O-CA 3.28Å; V369-L455 WeakPolarHBondContact O-CA 3.26Å; V369-H456 PolarHBondContact O-N 3.08Å; V369-M460 HydrophobicContact CG1-CG 4.4Å; V369-M460 HydrophobicContact CG1-SD 3.51Å; V369-M460 VanDerWaalsContact CG1-SD 3.51Å
370	I	60.6	Low	79.8	Confident	16 Å²	16	33.3 Å²	33.3	8%	0.082	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-103.8	126.8	174.7	-59.8	170.3	0	0	0	108.7	L274 A368 E372 Y443 L450 A454 L455	L274-I370 WeakPolarHBondContact CD1-O 3.43Å; A368-I370 PolarHBondContact O-N 3.23Å; I370-E372 HydrophobicContact CG2-CB 4.35Å; I370-E372 PolarHBondContact O-N 2.72Å; I370-Y443 HydrophobicContact CD1-CD1 4.18Å; I370-Y443 HydrophobicContact CD1-CE1 4.45Å; I370-Y443 HydrophobicContact CG1-CD1 4.38Å; I370-L450 HydrophobicContact CD1-CD1 4.27Å; I370-L450 HydrophobicContact CG1-CD1 4.39Å; I370-L450 HydrophobicContact CG2-CD1 3.97Å; I370-A454 WeakPolarHBondContact CA-O 2.93Å; I370-L455 HydrophobicContact CG1-CD2 3.75Å
371	E	60	Low	79.2	Confident	44 Å²	44	33.8 Å²	33.8	21%	0.206	17%	0.167	C	C	.	.	S	Bend	trans	-65.2	-26.8	-175.3	-165.5	159.4	-161.9	0	0	112.9	F308 R311 H373 A454	F308-E371 HydrophobicContact CE2-CB 3.76Å; F308-E371 HydrophobicContact CE2-CG 4.05Å; F308-E371 HydrophobicContact CZ-CB 3.83Å; F308-E371 HydrophobicContact CZ-CG 4.48Å; R311-E371 IonicContact CZ-OE2 3.91Å; R311-E371 IonicContact NH1-OE1 2.76Å; R311-E371 PolarHBondContact NH1-OE1 3.22Å; R311-E371 IonicContact NH1-OE2 3.26Å; R311-E371 PolarHBondContact NH1-OE2 3.42Å; E371-H373 PolarHBondContact O-N 3.07Å; E371-A454 PolarHBondContact N-O 2.67Å
372	E	71.4	Confident	78.6	Confident	104 Å²	104	34.6 Å²	34.6	49%	0.486	18%	0.181	S	C	.	.			trans	-90.3	97.5	-178.6	-76.1	-66.7	166.2	0	0	113.6	I370 G374 W375 A376	I370-E372 HydrophobicContact CG2-CB 4.35Å; I370-E372 PolarHBondContact O-N 2.72Å; E372-G374 VanDerWaalsContact C-N 3.28Å; E372-G374 PolarHBondContact O-N 2.85Å; E372-W375 HydrophobicContact CB-CB 4.15Å; E372-W375 HydrophobicContact CB-CG 4.3Å; E372-W375 PolarHBondContact O-N 2.66Å; E372-A376 PolarHBondContact O-N 2.94Å
373	H	74.6	Confident	77.9	Confident	22 Å²	22	36.8 Å²	36.8	10%	0.102	19%	0.19	C	C	.	.	H	α-helix	trans	-50.2	-44.8	175.3	174	82.2	0	0	0	112.7	F276 A306 G355 S365 Y367 E371 W375 A376 H377	F276-H373 HydrophobicContact CE1-CB 4.22Å; F276-H373 AromaticContact CZ-CG 3.97Å; F276-H373 AromaticContact CZ-ND1 3.77Å; A306-H373 HydrophobicContact CB-CB 4.46Å; G355-H373 PolarHBondContact O-CE1 3.26Å; G355-H373 VanDerWaalsContact O-CE1 3.3Å; S365-H373 PolarHBondContact OG-ND1 2.87Å; S365-H373 VanDerWaalsContact OG-ND1 3.08Å; Y367-H373 AromaticContact CD2-CE1 3.77Å; Y367-H373 AromaticContact CD2-ND1 3.61Å; Y367-H373 AromaticContact CE2-CE1 3.79Å; E371-H373 PolarHBondContact O-N 3.07Å; H373-W375 VanDerWaalsContact C-N 3.35Å; H373-W375 PolarHBondContact O-N 2.81Å; H373-A376 PolarHBondContact O-N 3.36Å; H373-H377 VanDerWaalsContact O-CB 3.29Å; H373-H377 WeakPolarHBondContact O-CB 3.21Å; H373-H377 PolarHBondContact O-N 2.93Å
374	G	73.3	Confident	77.4	Confident	32 Å²	32	38.4 Å²	38.4	33%	0.33	20%	0.196	S	C	.	.	H	α-helix	trans	-67.5	-31	-175.7	0	0	0	0	0	114.1	E372 R378	E372-G374 VanDerWaalsContact C-N 3.28Å; E372-G374 PolarHBondContact O-N 2.85Å; G374-R378 WeakPolarHBondContact O-CG 3.24Å; G374-R378 PolarHBondContact O-N 3.03Å; G374-R378 VanDerWaalsContact O-N 3.15Å; G374-R378 PolarHBondContact O-NE 3.46Å
375	W	76.3	Confident	76.9	Confident	146 Å²	146	43.5 Å²	43.5	55%	0.553	22%	0.223	S	C	*	.	H	α-helix	trans	-73.5	-45.7	174	-78.3	104.8	0	0	0	111.1	E372 H373 H377 R378 A379	E372-W375 HydrophobicContact CB-CB 4.15Å; E372-W375 HydrophobicContact CB-CG 4.3Å; E372-W375 PolarHBondContact O-N 2.66Å; H373-W375 VanDerWaalsContact C-N 3.35Å; H373-W375 PolarHBondContact O-N 2.81Å; W375-H377 VanDerWaalsContact C-N 3.32Å; W375-H377 PolarHBondContact O-N 2.91Å; W375-R378 PolarHBondContact O-N 3.2Å; W375-A379 PolarHBondContact O-N 2.99Å
376	A	73.7	Confident	76.5	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-45.6	174.4	0	0	0	0	0	110.9	Y367 E372 H373 R378 A379 F380	Y367-A376 HydrophobicContact CD1-CB 4.08Å; Y367-A376 HydrophobicContact CD2-CB 3.86Å; Y367-A376 HydrophobicContact CG-CB 3.56Å; E372-A376 PolarHBondContact O-N 2.94Å; H373-A376 PolarHBondContact O-N 3.36Å; A376-R378 VanDerWaalsContact C-N 3.35Å; A376-R378 PolarHBondContact O-N 3.45Å; A376-A379 WeakPolarHBondContact O-CB 3.44Å; A376-A379 PolarHBondContact O-N 2.92Å; A376-A379 VanDerWaalsContact O-N 3.16Å; A376-F380 WeakPolarHBondContact O-CD2 3.3Å; A376-F380 PolarHBondContact O-N 3.24Å
377	H	78.2	Confident	76.2	Confident	46 Å²	46	48.4 Å²	48.4	21%	0.213	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-43.7	178.3	-170.2	76.2	0	0	0	112.2	Q354 Y367 H373 W375 F380 A381 R384	Q354-H377 PolarHBondContact O-CE1 3.03Å; Y367-H377 HydrophobicContact CD2-CB 4.42Å; Y367-H377 VanDerWaalsContact CE2-CA 3.48Å; Y367-H377 HydrophobicContact CE2-CB 3.63Å; Y367-H377 AromaticContact CE2-ND1 3.64Å; Y367-H377 AromaticContact CZ-ND1 3.83Å; Y367-H377 PolarHBondContact OH-ND1 2.87Å; Y367-H377 VanDerWaalsContact OH-ND1 3.14Å; H373-H377 VanDerWaalsContact O-CB 3.29Å; H373-H377 WeakPolarHBondContact O-CB 3.21Å; H373-H377 PolarHBondContact O-N 2.93Å; W375-H377 VanDerWaalsContact C-N 3.32Å; W375-H377 PolarHBondContact O-N 2.91Å; H377-F380 PolarHBondContact O-N 3.43Å; H377-A381 PolarHBondContact O-N 2.84Å; H377-R384 PolarHBondContact CD2-NH2 2.86Å; H377-R384 PolarHBondContact CE1-NH1 2.81Å; H377-R384 PolarHBondContact CE1-NH2 2.9Å; H377-R384 PolarHBondContact ND1-NH1 2.75Å; H377-R384 PolarHBondContact NE2-NH2 2.76Å; H377-R384 VanDerWaalsContact O-CZ 3.26Å; H377-R384 PolarHBondContact O-NH1 3Å; H377-R384 PolarHBondContact O-NH2 3Å
378	R	81.1	Confident	76.1	Confident	136 Å²	136	51.3 Å²	51.3	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-38.8	175.8	-78.5	-177.7	-75.6	160.2	-6.5	112.8	G374 W375 A376 F380 A381	G374-R378 WeakPolarHBondContact O-CG 3.24Å; G374-R378 PolarHBondContact O-N 3.03Å; G374-R378 VanDerWaalsContact O-N 3.15Å; G374-R378 PolarHBondContact O-NE 3.46Å; W375-R378 PolarHBondContact O-N 3.2Å; A376-R378 VanDerWaalsContact C-N 3.35Å; A376-R378 PolarHBondContact O-N 3.45Å; R378-F380 PolarHBondContact O-N 3.18Å; R378-A381 WeakPolarHBondContact O-CB 3.45Å; R378-A381 PolarHBondContact O-N 3.18Å
379	A	78.6	Confident	76.4	Confident	37 Å²	37	55.9 Å²	55.9	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-32.2	178	0	0	0	0	0	112.5	W375 A376 P382 Y438 L442	W375-A379 PolarHBondContact O-N 2.99Å; A376-A379 WeakPolarHBondContact O-CB 3.44Å; A376-A379 PolarHBondContact O-N 2.92Å; A376-A379 VanDerWaalsContact O-N 3.16Å; A379-P382 WeakPolarHBondContact O-CD 3.25Å; A379-Y438 PolarHBondContact O-OH 2.58Å; A379-L442 HydrophobicContact CB-CD1 3.95Å; A379-L442 HydrophobicContact CB-CD2 4.18Å
380	F	81.5	Confident	77.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.018	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.4	176.2	-79	-92.9	0	0	0	114.6	L245 L351 Y367 A376 H377 R378 F383 R384 I435 Y438 L442	L245-F380 HydrophobicContact CD1-CE1 4.42Å; L245-F380 HydrophobicContact CD1-CZ 4.09Å; L245-F380 HydrophobicContact CD2-CD1 4.23Å; L245-F380 HydrophobicContact CD2-CE1 3.39Å; L245-F380 HydrophobicContact CD2-CZ 3.81Å; L351-F380 HydrophobicContact CD2-CD1 4.24Å; Y367-F380 AromaticContact CD1-CD2 3.91Å; Y367-F380 HydrophobicContact CD1-CD2 3.91Å; Y367-F380 AromaticContact CD1-CE2 4Å; Y367-F380 HydrophobicContact CD1-CE2 4Å; Y367-F380 HydrophobicContact CE1-CB 4.16Å; Y367-F380 AromaticContact CE1-CD2 3.48Å; Y367-F380 HydrophobicContact CE1-CD2 3.48Å; Y367-F380 VanDerWaalsContact CE1-CD2 3.48Å; Y367-F380 AromaticContact CE1-CE2 3.98Å; Y367-F380 HydrophobicContact CE1-CE2 3.98Å; Y367-F380 AromaticContact CE1-CG 3.84Å; Y367-F380 HydrophobicContact CE1-CG 3.84Å; A376-F380 WeakPolarHBondContact O-CD2 3.3Å; A376-F380 PolarHBondContact O-N 3.24Å; H377-F380 PolarHBondContact O-N 3.43Å; R378-F380 PolarHBondContact O-N 3.18Å; F380-F383 PolarHBondContact O-N 2.96Å; F380-R384 PolarHBondContact O-N 2.87Å; F380-R384 VanDerWaalsContact O-N 3.08Å; F380-I435 HydrophobicContact CE1-CD1 4.39Å; F380-Y438 AromaticContact CD1-CD1 3.93Å; F380-Y438 HydrophobicContact CD1-CD1 3.93Å; F380-Y438 AromaticContact CD1-CE1 3.64Å; F380-Y438 HydrophobicContact CD1-CE1 3.64Å; F380-Y438 AromaticContact CE1-CD1 3.58Å; F380-Y438 HydrophobicContact CE1-CD1 3.58Å; F380-Y438 AromaticContact CE1-CE1 3.75Å; F380-Y438 HydrophobicContact CE1-CE1 3.75Å; F380-Y438 HydrophobicContact CG-CE1 4.28Å; F380-Y438 HydrophobicContact CZ-CD1 4.3Å; F380-Y438 HydrophobicContact CZ-CE1 4.47Å; F380-L442 HydrophobicContact CD2-CD1 3.88Å; F380-L442 HydrophobicContact CE1-CD1 4.29Å; F380-L442 HydrophobicContact CE2-CD1 3.63Å; F380-L442 HydrophobicContact CG-CD1 4.34Å; F380-L442 HydrophobicContact CZ-CD1 3.85Å
381	A	81.2	Confident	78	Confident	43 Å²	43	63.3 Å²	63.3	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-58.3	-41.3	179.3	0	0	0	0	0	114.1	H377 R378 F383 R384 L385	H377-A381 PolarHBondContact O-N 2.84Å; R378-A381 WeakPolarHBondContact O-CB 3.45Å; R378-A381 PolarHBondContact O-N 3.18Å; A381-F383 VanDerWaalsContact C-N 3.32Å; A381-F383 PolarHBondContact O-N 2.88Å; A381-R384 PolarHBondContact O-N 2.83Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 PolarHBondContact O-N 3.09Å
382	P	81.1	Confident	78.7	Confident	83 Å²	83	65 Å²	65	54%	0.539	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-40.8	176.6	-23.5	34.8	0	0	0	112.6	A379 L385 A386	A379-P382 WeakPolarHBondContact O-CD 3.25Å; P382-L385 PolarHBondContact O-N 3.45Å; P382-A386 PolarHBondContact O-N 2.83Å
383	F	79.8	Confident	78.9	Confident	49 Å²	49	67 Å²	67	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-44.9	177.7	-177.3	-93.3	0	0	0	111.6	L242 T243 L351 F380 A381 L385 A386 H387 I435 Y438	L242-F383 HydrophobicContact CB-CE1 4.48Å; T243-F383 HydrophobicContact CG2-CE1 3.88Å; T243-F383 HydrophobicContact CG2-CZ 3.77Å; L351-F383 HydrophobicContact CD2-CD1 3.8Å; L351-F383 HydrophobicContact CD2-CE1 3.8Å; F380-F383 PolarHBondContact O-N 2.96Å; A381-F383 VanDerWaalsContact C-N 3.32Å; A381-F383 PolarHBondContact O-N 2.88Å; F383-L385 PolarHBondContact O-N 3.3Å; F383-A386 PolarHBondContact O-N 2.83Å; F383-H387 PolarHBondContact O-N 3.43Å; F383-H387 VanDerWaalsContact O-N 3.08Å; F383-I435 HydrophobicContact CD1-CD1 4.31Å; F383-I435 HydrophobicContact CD2-CD1 4.03Å; F383-I435 HydrophobicContact CE1-CD1 4Å; F383-I435 HydrophobicContact CE2-CD1 3.7Å; F383-I435 HydrophobicContact CE2-CG2 4.19Å; F383-I435 HydrophobicContact CG-CD1 4.33Å; F383-I435 HydrophobicContact CZ-CD1 3.69Å; F383-I435 HydrophobicContact CZ-CG2 4.35Å; F383-Y438 HydrophobicContact CB-CE1 4Å
384	R	83.8	Confident	78.1	Confident	36 Å²	36	69.4 Å²	69.4	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-62.8	-41.1	176.4	-68.5	-163.4	-63.6	-86.4	-8	112.2	L242 A353 Y367 H377 F380 A381 H387 A388	L242-R384 HydrophobicContact CD1-CG 3.84Å; A353-R384 WeakPolarHBondContact O-CD 3.43Å; A353-R384 PolarHBondContact O-NE 3.27Å; Y367-R384 PolarHBondContact OH-NH1 3.22Å; H377-R384 PolarHBondContact CD2-NH2 2.86Å; H377-R384 PolarHBondContact CE1-NH1 2.81Å; H377-R384 PolarHBondContact CE1-NH2 2.9Å; H377-R384 PolarHBondContact ND1-NH1 2.75Å; H377-R384 PolarHBondContact NE2-NH2 2.76Å; H377-R384 VanDerWaalsContact O-CZ 3.26Å; H377-R384 PolarHBondContact O-NH1 3Å; H377-R384 PolarHBondContact O-NH2 3Å; F380-R384 PolarHBondContact O-N 2.87Å; F380-R384 VanDerWaalsContact O-N 3.08Å; A381-R384 PolarHBondContact O-N 2.83Å; R384-H387 PolarHBondContact O-N 2.87Å; R384-A388 WeakPolarHBondContact O-CB 3.28Å; R384-A388 PolarHBondContact O-N 3.4Å
385	L	83	Confident	77.1	Confident	107 Å²	107	72.8 Å²	72.8	56%	0.56	42%	0.423	S	S	*	.	H	α-helix	trans	-61.8	-45.5	176.9	-179.8	62.7	0	0	0	111.3	A381 P382 F383 H387 A388 L389	A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 PolarHBondContact O-N 3.09Å; P382-L385 PolarHBondContact O-N 3.45Å; F383-L385 PolarHBondContact O-N 3.3Å; L385-H387 VanDerWaalsContact C-N 3.31Å; L385-H387 PolarHBondContact O-N 3.25Å; L385-A388 PolarHBondContact O-N 3.15Å; L385-L389 HydrophobicContact CD1-CD1 4.4Å; L385-L389 HydrophobicContact CD1-CG 4.35Å; L385-L389 HydrophobicContact CG-CD1 4.14Å; L385-L389 VanDerWaalsContact O-CG 3.3Å; L385-L389 WeakPolarHBondContact O-CG 3.35Å; L385-L389 PolarHBondContact O-N 3.12Å
386	A	80.6	Confident	75.8	Confident	48 Å²	48	70.1 Å²	70.1	40%	0.397	43%	0.432	S	S	.	.	H	α-helix	trans	-59.1	-42.6	176.5	0	0	0	0	0	111.8	P382 F383 L389 L390	P382-A386 PolarHBondContact O-N 2.83Å; F383-A386 PolarHBondContact O-N 2.83Å; A386-L389 PolarHBondContact O-N 3.01Å; A386-L390 WeakPolarHBondContact O-CB 3.36Å; A386-L390 WeakPolarHBondContact O-CG 3.48Å; A386-L390 PolarHBondContact O-N 3.41Å
387	H	81.1	Confident	74.1	Confident	58 Å²	58	81.4 Å²	81.4	27%	0.269	47%	0.473	S	S	.	.	H	α-helix	trans	-68.2	-37.9	178.1	-156.1	-74.4	0	0	0	112.7	L242 F383 R384 L385 L390 A391	L242-H387 HydrophobicContact CD2-CB 4.43Å; F383-H387 PolarHBondContact O-N 3.43Å; F383-H387 VanDerWaalsContact O-N 3.08Å; R384-H387 PolarHBondContact O-N 2.87Å; L385-H387 VanDerWaalsContact C-N 3.31Å; L385-H387 PolarHBondContact O-N 3.25Å; H387-L390 PolarHBondContact O-N 3.45Å; H387-A391 WeakPolarHBondContact O-CB 3.46Å; H387-A391 PolarHBondContact O-N 2.84Å
388	A	81.3	Confident	72.2	Confident	60 Å²	60	85 Å²	85	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-41.1	174.4	0	0	0	0	0	111.8	R384 L385 A391 A392	R384-A388 WeakPolarHBondContact O-CB 3.28Å; R384-A388 PolarHBondContact O-N 3.4Å; L385-A388 PolarHBondContact O-N 3.15Å; A388-A391 PolarHBondContact O-N 3.21Å; A388-A392 WeakPolarHBondContact O-CB 3.17Å; A388-A392 PolarHBondContact O-N 3.35Å
389	L	80.5	Confident	70	Confident	98 Å²	98	86.4 Å²	86.4	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-43.7	175.3	-70	172.2	0	0	0	111.7	L385 A386 A391 A392 L393	L385-L389 HydrophobicContact CD1-CD1 4.4Å; L385-L389 HydrophobicContact CD1-CG 4.35Å; L385-L389 HydrophobicContact CG-CD1 4.14Å; L385-L389 VanDerWaalsContact O-CG 3.3Å; L385-L389 WeakPolarHBondContact O-CG 3.35Å; L385-L389 PolarHBondContact O-N 3.12Å; A386-L389 PolarHBondContact O-N 3.01Å; L389-A391 PolarHBondContact O-N 3.2Å; L389-A392 PolarHBondContact O-N 3.29Å; L389-L393 WeakPolarHBondContact O-CB 3.47Å; L389-L393 VanDerWaalsContact O-CG 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.22Å; L389-L393 PolarHBondContact O-N 3.39Å
390	L	81.1	Confident	68.1	Low	116 Å²	116	96.4 Å²	96.4	61%	0.607	55%	0.546	S	S	*	.	H	α-helix	trans	-61.6	-43	175.7	-75.3	168.3	0	0	0	111.9	A386 H387 A392 L393 A394	A386-L390 WeakPolarHBondContact O-CB 3.36Å; A386-L390 WeakPolarHBondContact O-CG 3.48Å; A386-L390 PolarHBondContact O-N 3.41Å; H387-L390 PolarHBondContact O-N 3.45Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 2.82Å; L390-L393 PolarHBondContact O-N 2.8Å; L390-A394 PolarHBondContact O-N 3.2Å
391	A	76.3	Confident	65.7	Low	57 Å²	57	99.8 Å²	99.8	47%	0.471	58%	0.582	S	S	.	*	H	α-helix	trans	-63	-36.6	175.8	0	0	0	0	0	112.3	H387 A388 L389 A394	H387-A391 WeakPolarHBondContact O-CB 3.46Å; H387-A391 PolarHBondContact O-N 2.84Å; A388-A391 PolarHBondContact O-N 3.21Å; L389-A391 PolarHBondContact O-N 3.2Å; A391-A394 CarbonylContact O-C 3.55Å
392	A	74.9	Confident	63.4	Low	78 Å²	78	101.5 Å²	101.5	65%	0.645	60%	0.604	S	S	*	*	H	α-helix	trans	-70.4	-32.5	175.9	0	0	0	0	0	113.1	A388 L389 L390	A388-A392 WeakPolarHBondContact O-CB 3.17Å; A388-A392 PolarHBondContact O-N 3.35Å; L389-A392 PolarHBondContact O-N 3.29Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 2.82Å
393	L	74.1	Confident	61.4	Low	147 Å²	147	105 Å²	105	77%	0.77	62%	0.619	S	S	*	*	H	α-helix	trans	-84	-22.9	-179.2	-68.5	170.3	0	0	0	113.4	L389 L390	L389-L393 WeakPolarHBondContact O-CB 3.47Å; L389-L393 VanDerWaalsContact O-CG 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.22Å; L389-L393 PolarHBondContact O-N 3.39Å; L390-L393 PolarHBondContact O-N 2.8Å
394	A	58.8	Low	59.2	Low	72 Å²	72	108.2 Å²	108.2	60%	0.595	65%	0.647	S	S	*	*	S	Bend	trans	-131.4	72.5	177.4	0	0	0	0	0	110.6	L390 A391 A396	L390-A394 PolarHBondContact O-N 3.2Å; A391-A394 CarbonylContact O-C 3.55Å; A394-A396 PolarHBondContact O-N 2.66Å
395	P	52.5	Low	56.7	Low	104 Å²	104	110.4 Å²	110.4	68%	0.675	68%	0.681	S	S	*	*			trans	-60.6	113.4	171.7	24.6	-31.1	0	0	0	108.1	R397	P395-R397 PolarHBondContact O-N 3.12Å
396	A	48.9	Very low	54.1	Low	90 Å²	90	109.2 Å²	109.2	74%	0.744	70%	0.695	S	S	*	*			trans	-53.8	126.1	176.6	0	0	0	0	0	108.8	A394 T398	A394-A396 PolarHBondContact O-N 2.66Å; A396-T398 PolarHBondContact O-N 3.11Å
397	R	37.8	Very low	51.6	Low	240 Å²	240	110.6 Å²	110.6	91%	0.906	71%	0.714	S	S	*	*			trans	-55.7	103.8	167.5	-83.5	178.7	170.9	154.6	-3.3	107.5	P395 D399	P395-R397 PolarHBondContact O-N 3.12Å; R397-D399 PolarHBondContact O-N 3.42Å; R397-D399 VanDerWaalsContact O-N 3.1Å
398	T	38.3	Very low	49.2	Very low	123 Å²	123	114.3 Å²	114.3	76%	0.755	74%	0.735	S	S	*	*			trans	-67.1	103.1	163.3	48.8	0	0	0	0	106.7	A396 R400	A396-T398 PolarHBondContact O-N 3.11Å; T398-R400 PolarHBondContact O-N 2.77Å
399	D	34.8	Very low	46.9	Very low	165 Å²	165	122.1 Å²	122.1	88%	0.882	75%	0.752	S	S	*	*			trans	-60.5	107.9	164.6	-96.4	-21.9	0	0	0	107.7	R397	R397-D399 PolarHBondContact O-N 3.42Å; R397-D399 VanDerWaalsContact O-N 3.1Å
400	R	38.5	Very low	44.4	Very low	246 Å²	246	121.3 Å²	121.3	93%	0.928	77%	0.767	S	S	*	*			trans	-104	95.8	177.2	-155.7	-175.2	-158.9	172.7	5.7	106.2	T398	T398-R400 PolarHBondContact O-N 2.77Å
401	G	30.5	Very low	41.9	Very low	75 Å²	75	120 Å²	120	77%	0.773	78%	0.781	S	S	*	*			trans	-167.6	114.2	166.4	0	0	0	0	0	106.9
402	G	33	Very low	39.6	Very low	79 Å²	79	121.1 Å²	121.1	81%	0.814	80%	0.799	S	S	*	*			cis	106	85.9	40	0	0	0	0	0	107.2
403	D	39	Very low	37.4	Very low	157 Å²	157	121.2 Å²	121.2	84%	0.84	81%	0.807	S	S	*	*			trans	-36.3	138.9	174.2	-169.3	23.3	0	0	0	116.3
404	S	34.7	Very low	35.2	Very low	117 Å²	117	120.3 Å²	120.3	82%	0.818	81%	0.814	S	S	*	*			trans	177.1	134.9	136.1	29.4	0	0	0	0	112.4
405	G	30.4	Very low	33.9	Very low	81 Å²	81	128.4 Å²	128.4	84%	0.835	83%	0.829	S	S	*	*			trans	-85.8	-171.9	-167.1	0	0	0	0	0	118.3
406	G	29.3	Very low	32.9	Very low	83 Å²	83	129.8 Å²	129.8	86%	0.856	84%	0.835	S	S	*	*			trans	120.5	114.3	155.4	0	0	0	0	0	116.2
407	G	28.2	Very low	32.3	Very low	77 Å²	77	130.8 Å²	130.8	79%	0.794	83%	0.834	S	S	*	*				90	106.5	127.9	0	0	0	0	0	120.4
408	D	30.4	Very low	32.1	Very low	135 Å²	135	125.1 Å²	125.1	72%	0.722	83%	0.828	S	S	*	*				81.9	121.5	124.6	-135.9	29.4	0	0	0	122.7
409	R	33.1	Very low	32.2	Very low	224 Å²	224	125.4 Å²	125.4	85%	0.845	83%	0.832	S	S	*	*			trans	44.5	139.3	138.5	-76.2	169.9	-170	177.4	-1.3	124.2
410	G	28.4	Very low	31.9	Very low	81 Å²	81	122.2 Å²	122.2	84%	0.835	83%	0.828	S	S	*	*			trans	106.1	119.5	152.1	0	0	0	0	0	112.3
411	G	27.2	Very low	31.7	Very low	88 Å²	88	116.8 Å²	116.8	91%	0.907	83%	0.825	S	S	*	*			cis	106.1	107.7	41	0	0	0	0	0	108.2
412	G	28.1	Very low	31.8	Very low	82 Å²	82	117.1 Å²	117.1	85%	0.845	83%	0.828	S	S	*	*			trans	150.1	103.7	170.8	0	0	0	0	0	114.3
413	G	28.6	Very low	31.5	Very low	79 Å²	79	118.1 Å²	118.1	81%	0.814	83%	0.829	S	S	*	*			trans	-74.8	154.2	175.1	0	0	0	0	0	113.5
414	S	29.2	Very low	31.2	Very low	129 Å²	129	115.2 Å²	115.2	90%	0.902	83%	0.827	S	S	*	*			trans	-148.9	145.1	146.6	-103.8	0	0	0	0	112.6
415	R	30.7	Very low	30.7	Very low	242 Å²	242	117 Å²	117	91%	0.913	83%	0.828	S	S	*	*			trans	-64	141	-164.4	-72	157.8	167.9	166.7	-4.6	113.8
416	V	32.8	Very low	30.7	Very low	132 Å²	132	117.5 Å²	117.5	80%	0.8	82%	0.823	S	S	*	*			trans	-71.2	139.4	157	175.3	0	0	0	0	109.7
417	P	34.6	Very low	30.6	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	83%	0.827	S	S	*	*			trans	-110.2	147.1	147.8	32.6	-22.1	0	0	0	111.6
418	P	33.8	Very low	30.4	Very low	120 Å²	120	120.7 Å²	120.7	78%	0.779	83%	0.826	S	S	*	*			trans	-86.1	175	179.6	38	-35.1	0	0	0	112.6
419	P	42.1	Very low	30.2	Very low	129 Å²	129	119.6 Å²	119.6	84%	0.838	84%	0.836	S	S	*	*			trans	-102	168.9	-137.8	39.4	-36.6	0	0	0	115.4
420	A	27.3	Very low	29.9	Very low	98 Å²	98	111.7 Å²	111.7	81%	0.81	82%	0.824	S	S	*	*			trans	-136.7	152.1	160.1	0	0	0	0	0	110.5
421	P	35.4	Very low	30	Very low	132 Å²	132	112 Å²	112	86%	0.857	82%	0.819	S	S	*	*			trans	-97.3	157.1	-147.2	36.9	-33.2	0	0	0	113.7
422	G	31	Very low	30.8	Very low	82 Å²	82	111 Å²	111	85%	0.845	80%	0.796	S	S	*	*			trans	102.5	82.9	157.8	0	0	0	0	0	115.3
423	A	26.5	Very low	32.1	Very low	100 Å²	100	111.2 Å²	111.2	83%	0.826	79%	0.789	S	S	*	*			trans	-162.5	101.9	142.7	0	0	0	0	0	106.9	D425	A423-D425 PolarHBondContact O-N 3.15Å
424	A	32.7	Very low	33.5	Very low	97 Å²	97	108 Å²	108	80%	0.802	76%	0.755	S	S	*	*			trans	-64.6	119.7	161.9	0	0	0	0	0	107.2
425	D	24.5	Very low	35.4	Very low	155 Å²	155	102.9 Å²	102.9	83%	0.829	72%	0.718	S	S	*	*			trans	-165.6	126.4	138.5	-109.4	-24.7	0	0	0	113.9	A423	A423-D425 PolarHBondContact O-N 3.15Å
426	A	30.9	Very low	37.1	Very low	90 Å²	90	93.9 Å²	93.9	74%	0.744	69%	0.686	S	S	*	*			trans	53.3	73.5	136.4	0	0	0	0	0	119.7
427	T	27.1	Very low	38.7	Very low	152 Å²	152	95.7 Å²	95.7	93%	0.933	68%	0.679	S	S	*	*			trans	-132.9	89	146.8	56	0	0	0	0	110.6
428	G	24.7	Very low	39.9	Very low	75 Å²	75	92 Å²	92	77%	0.773	65%	0.651	S	S	*	*			trans	-150.4	59.1	172	0	0	0	0	0	109	G430	G428-G430 PolarHBondContact O-N 3.22Å
429	A	25.2	Very low	41.2	Very low	112 Å²	112	86.7 Å²	86.7	93%	0.926	62%	0.616	S	S	*	*			trans	-67.3	88	173.3	0	0	0	0	0	109.4
430	G	27.3	Very low	42.2	Very low	58 Å²	58	84.5 Å²	84.5	60%	0.598	59%	0.594	S	S	*	*			trans	34.4	94.3	153	0	0	0	0	0	117.7	G428 T432	G428-G430 PolarHBondContact O-N 3.22Å; G430-T432 PolarHBondContact O-N 3.06Å; G430-T432 VanDerWaalsContact O-N 3.14Å
431	A	31.2	Very low	43.9	Very low	89 Å²	89	83.4 Å²	83.4	74%	0.736	58%	0.575	S	S	*	*			trans	-55.2	116.7	139.4	0	0	0	0	0	106.6	A433	A431-A433 PolarHBondContact O-N 2.94Å
432	T	43.2	Very low	45.1	Very low	67 Å²	67	78.6 Å²	78.6	41%	0.411	54%	0.542	S	S	.	.			trans	-62.5	98.4	-179.3	42.3	0	0	0	0	109.2	G430	G430-T432 PolarHBondContact O-N 3.06Å; G430-T432 VanDerWaalsContact O-N 3.14Å
433	A	54.9	Low	46.8	Very low	86 Å²	86	76.2 Å²	76.2	71%	0.711	51%	0.508	S	S	*	.			trans	-60.6	133.4	172.8	0	0	0	0	0	108.8	A431	A431-A433 PolarHBondContact O-N 2.94Å
434	G	59	Low	48.4	Very low	10 Å²	10	75.6 Å²	75.6	10%	0.103	49%	0.487	C	S	.	.			trans	-61	160.7	179.2	0	0	0	0	0	112.3	F244 H436	F244-G434 CarbonylContact O-C 3.59Å; F244-G434 WeakPolarHBondContact O-CA 3.45Å; G434-H436 VanDerWaalsContact C-CD2 3.5Å; G434-H436 PolarHBondContact O-CD2 3.45Å; G434-H436 PolarHBondContact O-N 2.83Å
435	I	68.6	Low	49.7	Very low	23 Å²	23	74.2 Å²	74.2	12%	0.118	47%	0.466	C	S	.	.			trans	-86.3	46.8	-179.9	57.8	163.5	0	0	0	112.8	T243 F244 L245 F380 F383 W437 Y438	T243-I435 HydrophobicContact CG2-CD1 3.87Å; T243-I435 HydrophobicContact CG2-CG1 3.89Å; T243-I435 HydrophobicContact CG2-CG2 4.34Å; F244-I435 PolarHBondContact O-N 2.87Å; L245-I435 HydrophobicContact CD2-CD1 3.77Å; L245-I435 HydrophobicContact CD2-CG1 3.94Å; F380-I435 HydrophobicContact CE1-CD1 4.39Å; F383-I435 HydrophobicContact CD1-CD1 4.31Å; F383-I435 HydrophobicContact CD2-CD1 4.03Å; F383-I435 HydrophobicContact CE1-CD1 4Å; F383-I435 HydrophobicContact CE2-CD1 3.7Å; F383-I435 HydrophobicContact CE2-CG2 4.19Å; F383-I435 HydrophobicContact CG-CD1 4.33Å; F383-I435 HydrophobicContact CZ-CD1 3.69Å; F383-I435 HydrophobicContact CZ-CG2 4.35Å; I435-W437 PolarHBondContact O-N 2.89Å; I435-W437 VanDerWaalsContact O-N 3.11Å; I435-Y438 HydrophobicContact CD1-CD1 4.43Å; I435-Y438 PolarHBondContact O-N 2.97Å; I435-Y438 VanDerWaalsContact O-N 3.14Å
436	H	66.9	Low	51.1	Low	53 Å²	53	67.2 Å²	67.2	25%	0.245	43%	0.43	C	S	.	.	H	α-helix	trans	-55.8	-33.6	-171.8	-53.8	-97.4	0	0	0	113.7	D246 R247 G434 Y438 S439 Q440	D246-H436 VanDerWaalsContact CA-CE1 3.5Å; D246-H436 WeakPolarHBondContact CA-CE1 3.5Å; D246-H436 IonicContact OD1-CE1 2.7Å; D246-H436 PolarHBondContact OD1-CE1 3Å; D246-H436 IonicContact OD1-ND1 2.82Å; D246-H436 PolarHBondContact OD1-ND1 3.22Å; R247-H436 PolarHBondContact N-CE1 2.86Å; G434-H436 VanDerWaalsContact C-CD2 3.5Å; G434-H436 PolarHBondContact O-CD2 3.45Å; G434-H436 PolarHBondContact O-N 2.83Å; H436-Y438 PolarHBondContact O-N 3.05Å; H436-S439 PolarHBondContact O-OG 3.08Å; H436-Q440 VanDerWaalsContact O-CB 3.24Å; H436-Q440 WeakPolarHBondContact O-CB 3.47Å; H436-Q440 VanDerWaalsContact O-CD 3.3Å; H436-Q440 WeakPolarHBondContact O-CG 3.47Å; H436-Q440 PolarHBondContact O-N 3.19Å
437	W	66.3	Low	52.2	Low	169 Å²	169	65.7 Å²	65.7	64%	0.64	41%	0.412	S	S	*	.	H	α-helix	trans	-65.2	-38.1	-178.1	69.1	-93.3	0	0	0	112.4	I435 L441	I435-W437 PolarHBondContact O-N 2.89Å; I435-W437 VanDerWaalsContact O-N 3.11Å; W437-L441 WeakPolarHBondContact O-CB 3.4Å; W437-L441 PolarHBondContact O-N 2.99Å
438	Y	59	Low	53.4	Low	36 Å²	36	68.8 Å²	68.8	14%	0.141	41%	0.406	C	S	.	.	H	α-helix	trans	-75.7	-43.8	-174.9	-176.9	-109.8	0	0	0	110.9	A379 F380 F383 I435 H436 L441 L442	A379-Y438 PolarHBondContact O-OH 2.58Å; F380-Y438 AromaticContact CD1-CD1 3.93Å; F380-Y438 HydrophobicContact CD1-CD1 3.93Å; F380-Y438 AromaticContact CD1-CE1 3.64Å; F380-Y438 HydrophobicContact CD1-CE1 3.64Å; F380-Y438 AromaticContact CE1-CD1 3.58Å; F380-Y438 HydrophobicContact CE1-CD1 3.58Å; F380-Y438 AromaticContact CE1-CE1 3.75Å; F380-Y438 HydrophobicContact CE1-CE1 3.75Å; F380-Y438 HydrophobicContact CG-CE1 4.28Å; F380-Y438 HydrophobicContact CZ-CD1 4.3Å; F380-Y438 HydrophobicContact CZ-CE1 4.47Å; F383-Y438 HydrophobicContact CB-CE1 4Å; I435-Y438 HydrophobicContact CD1-CD1 4.43Å; I435-Y438 PolarHBondContact O-N 2.97Å; I435-Y438 VanDerWaalsContact O-N 3.14Å; H436-Y438 PolarHBondContact O-N 3.05Å; Y438-L441 PolarHBondContact O-N 3.39Å; Y438-L442 HydrophobicContact CD1-CD1 3.99Å; Y438-L442 HydrophobicContact CE1-CD1 3.5Å; Y438-L442 HydrophobicContact CE1-CG 4.36Å; Y438-L442 HydrophobicContact CE2-CD1 4.46Å; Y438-L442 WeakPolarHBondContact O-CG 3.39Å; Y438-L442 PolarHBondContact O-N 2.92Å
439	S	61.1	Low	54.7	Low	7 Å²	7	71.8 Å²	71.8	5%	0.049	40%	0.404	C	S	.	.	H	α-helix	trans	-62.5	-42.6	173.9	57	0	0	0	0	111.3	H436 L442 Y443	H436-S439 PolarHBondContact O-OG 3.08Å; S439-L442 PolarHBondContact O-N 2.64Å; S439-Y443 WeakPolarHBondContact O-CD2 3.24Å; S439-Y443 PolarHBondContact O-N 3.03Å
440	Q	63.3	Low	56.1	Low	83 Å²	83	69.2 Å²	69.2	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.9	-76	169.4	6.5	0	0	112.9	H436 L442 Y443 Q444	H436-Q440 VanDerWaalsContact O-CB 3.24Å; H436-Q440 WeakPolarHBondContact O-CB 3.47Å; H436-Q440 VanDerWaalsContact O-CD 3.3Å; H436-Q440 WeakPolarHBondContact O-CG 3.47Å; H436-Q440 PolarHBondContact O-N 3.19Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 2.62Å; Q440-Y443 PolarHBondContact O-N 3.24Å; Q440-Q444 WeakPolarHBondContact O-CG 3.4Å; Q440-Q444 PolarHBondContact O-N 3.41Å
441	L	62.7	Low	57.2	Low	76 Å²	76	71.8 Å²	71.8	40%	0.398	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-45.5	176.2	177.5	64.1	0	0	0	111.2	W437 Y438 Y443 Q444 I445	W437-L441 WeakPolarHBondContact O-CB 3.4Å; W437-L441 PolarHBondContact O-N 2.99Å; Y438-L441 PolarHBondContact O-N 3.39Å; L441-Y443 PolarHBondContact O-N 3.23Å; L441-Q444 PolarHBondContact O-N 3.26Å; L441-I445 HydrophobicContact CD1-CD1 4.12Å; L441-I445 HydrophobicContact CD1-CG1 4.45Å; L441-I445 HydrophobicContact CG-CD1 3.99Å; L441-I445 WeakPolarHBondContact O-CG1 3.4Å; L441-I445 PolarHBondContact O-N 2.71Å
442	L	61.9	Low	58.2	Low	31 Å²	31	71.7 Å²	71.7	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-40.2	177.7	-71.2	179.3	0	0	0	112.2	A379 F380 Y438 S439 Q440 I445 G446	A379-L442 HydrophobicContact CB-CD1 3.95Å; A379-L442 HydrophobicContact CB-CD2 4.18Å; F380-L442 HydrophobicContact CD2-CD1 3.88Å; F380-L442 HydrophobicContact CE1-CD1 4.29Å; F380-L442 HydrophobicContact CE2-CD1 3.63Å; F380-L442 HydrophobicContact CG-CD1 4.34Å; F380-L442 HydrophobicContact CZ-CD1 3.85Å; Y438-L442 HydrophobicContact CD1-CD1 3.99Å; Y438-L442 HydrophobicContact CE1-CD1 3.5Å; Y438-L442 HydrophobicContact CE1-CG 4.36Å; Y438-L442 HydrophobicContact CE2-CD1 4.46Å; Y438-L442 WeakPolarHBondContact O-CG 3.39Å; Y438-L442 PolarHBondContact O-N 2.92Å; S439-L442 PolarHBondContact O-N 2.64Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 2.62Å; L442-I445 PolarHBondContact O-N 3.47Å; L442-G446 PolarHBondContact O-N 3.21Å
443	Y	65.4	Low	58.5	Low	32 Å²	32	74.3 Å²	74.3	13%	0.125	38%	0.376	C	S	.	.	H	α-helix	trans	-66.1	-39.7	175.1	-63.3	-37.9	0	0	0	112	A368 V369 I370 S439 Q440 L441 G446 T447	A368-Y443 WeakPolarHBondContact O-CE1 3.26Å; A368-Y443 PolarHBondContact O-OH 3.3Å; V369-Y443 HydrophobicContact CB-CD1 4.05Å; V369-Y443 HydrophobicContact CB-CE1 3.85Å; V369-Y443 HydrophobicContact CG1-CD1 4.19Å; V369-Y443 HydrophobicContact CG1-CE1 4.49Å; V369-Y443 HydrophobicContact CG1-CG 4.4Å; V369-Y443 HydrophobicContact CG2-CD2 4.48Å; V369-Y443 HydrophobicContact CG2-CE1 4.25Å; V369-Y443 HydrophobicContact CG2-CE2 4.12Å; I370-Y443 HydrophobicContact CD1-CD1 4.18Å; I370-Y443 HydrophobicContact CD1-CE1 4.45Å; I370-Y443 HydrophobicContact CG1-CD1 4.38Å; S439-Y443 WeakPolarHBondContact O-CD2 3.24Å; S439-Y443 PolarHBondContact O-N 3.03Å; Q440-Y443 PolarHBondContact O-N 3.24Å; L441-Y443 PolarHBondContact O-N 3.23Å; Y443-G446 PolarHBondContact O-N 2.77Å; Y443-T447 WeakPolarHBondContact O-CG2 3.49Å; Y443-T447 PolarHBondContact O-N 3.39Å; Y443-T447 VanDerWaalsContact O-N 3.14Å
444	Q	60.3	Low	58.4	Low	86 Å²	86	71.5 Å²	71.5	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-46.9	173.7	-75.8	179.4	-6.4	0	0	111.6	Q440 L441 G446 T447	Q440-Q444 WeakPolarHBondContact O-CG 3.4Å; Q440-Q444 PolarHBondContact O-N 3.41Å; L441-Q444 PolarHBondContact O-N 3.26Å; Q444-G446 VanDerWaalsContact C-N 3.27Å; Q444-G446 PolarHBondContact O-N 3.29Å; Q444-T447 PolarHBondContact O-N 3.07Å; Q444-T447 VanDerWaalsContact O-N 3.11Å; Q444-T447 PolarHBondContact O-OG1 3.31Å
445	I	59.7	Low	58.2	Low	69 Å²	69	71.9 Å²	71.9	35%	0.354	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-39.7	176.1	-68.4	166.8	0	0	0	110.7	L441 L442 T447 W448 L449	L441-I445 HydrophobicContact CD1-CD1 4.12Å; L441-I445 HydrophobicContact CD1-CG1 4.45Å; L441-I445 HydrophobicContact CG-CD1 3.99Å; L441-I445 WeakPolarHBondContact O-CG1 3.4Å; L441-I445 PolarHBondContact O-N 2.71Å; L442-I445 PolarHBondContact O-N 3.47Å; I445-T447 VanDerWaalsContact C-N 3.26Å; I445-T447 PolarHBondContact O-N 3.33Å; I445-W448 PolarHBondContact O-N 2.81Å; I445-W448 VanDerWaalsContact O-N 3.09Å; I445-L449 HydrophobicContact CG2-CD1 3.66Å; I445-L449 PolarHBondContact O-N 3.49Å
446	G	54.9	Low	57.4	Low	7 Å²	7	71 Å²	71	7%	0.072	35%	0.347	C	S	.	.	H	α-helix	trans	-55.8	-37.8	174.4	0	0	0	0	0	113.3	L442 Y443 Q444 W448 L449 L450	L442-G446 PolarHBondContact O-N 3.21Å; Y443-G446 PolarHBondContact O-N 2.77Å; Q444-G446 VanDerWaalsContact C-N 3.27Å; Q444-G446 PolarHBondContact O-N 3.29Å; G446-W448 PolarHBondContact O-N 3.34Å; G446-L449 PolarHBondContact O-N 3.27Å; G446-L450 WeakPolarHBondContact O-CB 3.16Å; G446-L450 PolarHBondContact O-N 2.89Å
447	T	54.5	Low	56.7	Low	59 Å²	59	72.6 Å²	72.6	36%	0.362	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-24.6	177.6	66.7	0	0	0	0	114.3	Y443 Q444 I445 L455 M460	Y443-T447 WeakPolarHBondContact O-CG2 3.49Å; Y443-T447 PolarHBondContact O-N 3.39Å; Y443-T447 VanDerWaalsContact O-N 3.14Å; Q444-T447 PolarHBondContact O-N 3.07Å; Q444-T447 VanDerWaalsContact O-N 3.11Å; Q444-T447 PolarHBondContact O-OG1 3.31Å; I445-T447 VanDerWaalsContact C-N 3.26Å; I445-T447 PolarHBondContact O-N 3.33Å; T447-L455 HydrophobicContact CG2-CD1 4.04Å; T447-M460 HydrophobicContact CG2-CE 3.19Å; T447-M460 HydrophobicContact CG2-SD 4.23Å
448	W	51.1	Low	56.1	Low	217 Å²	217	65.4 Å²	65.4	82%	0.822	34%	0.337	S	S	*	.	H	α-helix	trans	-85.5	-24.1	179	-63.1	-9.4	0	0	0	112.4	I445 G446	I445-W448 PolarHBondContact O-N 2.81Å; I445-W448 VanDerWaalsContact O-N 3.09Å; G446-W448 PolarHBondContact O-N 3.34Å
449	L	52.5	Low	55.3	Low	137 Å²	137	64.3 Å²	64.3	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-110.3	-28.5	-168.4	-66.8	172.6	0	0	0	113.9	I445 G446	I445-L449 HydrophobicContact CG2-CD1 3.66Å; I445-L449 PolarHBondContact O-N 3.49Å; G446-L449 PolarHBondContact O-N 3.27Å
450	L	53.4	Low	54.9	Low	59 Å²	59	66.1 Å²	66.1	31%	0.309	35%	0.345	S	S	.	.	S	Bend	trans	-105.7	145.5	-173.9	-59.1	175.3	0	0	0	111.5	I370 G446 A454	I370-L450 HydrophobicContact CD1-CD1 4.27Å; I370-L450 HydrophobicContact CG1-CD1 4.39Å; I370-L450 HydrophobicContact CG2-CD1 3.97Å; G446-L450 WeakPolarHBondContact O-CB 3.16Å; G446-L450 PolarHBondContact O-N 2.89Å; L450-A454 HydrophobicContact CB-CB 4.47Å
451	D	51.5	Low	53.8	Low	112 Å²	112	64.4 Å²	64.4	60%	0.599	34%	0.344	S	S	*	.			trans	-62.4	146.3	173.6	-78.3	-32.5	0	0	0	110.5	R37 E453 A454	R37-D451 IonicContact NH2-OD1 2.67Å; D451-E453 PolarHBondContact O-N 3.28Å; D451-A454 WeakPolarHBondContact O-CB 3.41Å; D451-A454 PolarHBondContact O-N 3.43Å
452	S	51.5	Low	52.5	Low	86 Å²	86	65 Å²	65	60%	0.601	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57.7	-21.8	-175.2	60.1	0	0	0	0	114.5
453	E	50.3	Low	50.9	Low	122 Å²	122	71.6 Å²	71.6	57%	0.57	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-75.6	-25.3	178.9	-62.6	-167.8	173.7	0	0	113.2	D451 L455	D451-E453 PolarHBondContact O-N 3.28Å; E453-L455 PolarHBondContact O-N 3.06Å
454	A	52.7	Low	49	Very low	28 Å²	28	74.7 Å²	74.7	23%	0.231	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-77.7	-10.1	176.6	0	0	0	0	0	112.8	I370 E371 L450 D451	I370-A454 WeakPolarHBondContact CA-O 2.93Å; E371-A454 PolarHBondContact N-O 2.67Å; L450-A454 HydrophobicContact CB-CB 4.47Å; D451-A454 WeakPolarHBondContact O-CB 3.41Å; D451-A454 PolarHBondContact O-N 3.43Å
455	L	54.9	Low	47.3	Very low	17 Å²	17	79.2 Å²	79.2	9%	0.089	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-103.7	138.7	177.2	-65.5	171.1	0	0	0	110.4	V369 I370 T447 E453	V369-L455 HydrophobicContact CG1-CD2 4.32Å; V369-L455 CarbonylContact O-C 3.32Å; V369-L455 VanDerWaalsContact O-CA 3.28Å; V369-L455 WeakPolarHBondContact O-CA 3.26Å; I370-L455 HydrophobicContact CG1-CD2 3.75Å; T447-L455 HydrophobicContact CG2-CD1 4.04Å; E453-L455 PolarHBondContact O-N 3.06Å
456	H	50.8	Low	46.7	Very low	4 Å²	4	79.7 Å²	79.7	2%	0.019	45%	0.45	C	S	.	.			trans	-68	128.9	173.2	-167.2	-107.1	0	0	0	109.8	A272 F308 S310 V369 L458 G459	A272-H456 HydrophobicContact CB-CB 4.11Å; A272-H456 WeakPolarHBondContact CB-ND1 3.13Å; F308-H456 HydrophobicContact CD1-CB 3.93Å; F308-H456 AromaticContact CD1-CD2 3.79Å; F308-H456 HydrophobicContact CD2-CB 4.22Å; F308-H456 AromaticContact CD2-CD2 3.53Å; F308-H456 HydrophobicContact CE1-CB 3.62Å; F308-H456 HydrophobicContact CE2-CB 3.9Å; F308-H456 HydrophobicContact CG-CB 4.22Å; F308-H456 AromaticContact CG-CD2 3.34Å; F308-H456 WeakPolarHBondContact CG-CD2 3.41Å; F308-H456 HydrophobicContact CZ-CB 3.59Å; S310-H456 PolarHBondContact OG-NE2 2.94Å; V369-H456 PolarHBondContact O-N 3.08Å; H456-L458 VanDerWaalsContact CE1-CB 3.45Å; H456-L458 WeakPolarHBondContact CE1-CB 3.18Å; H456-L458 VanDerWaalsContact CE1-CD1 3.45Å; H456-L458 WeakPolarHBondContact CE1-CD1 3.34Å; H456-L458 WeakPolarHBondContact CE1-CG 3.35Å; H456-L458 VanDerWaalsContact ND1-CB 3.34Å; H456-L458 WeakPolarHBondContact ND1-CB 3.34Å; H456-L458 PolarHBondContact ND1-N 2.66Å; H456-L458 PolarHBondContact O-N 2.92Å; H456-G459 PolarHBondContact O-N 2.92Å
457	P	52.3	Low	46.2	Very low	88 Å²	88	83.5 Å²	83.5	57%	0.571	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.1	-178.2	-25.4	33	0	0	0	114.1
458	L	53.5	Low	45.8	Very low	18 Å²	18	84.9 Å²	84.9	9%	0.094	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-15.1	-176.7	-41	180	0	0	0	113.1	K189 A195 A271 H456 M460	K189-L458 HydrophobicContact CD-CD2 3.88Å; A195-L458 HydrophobicContact CB-CB 4.04Å; A195-L458 HydrophobicContact CB-CD1 3.48Å; A195-L458 VanDerWaalsContact CB-CD1 3.48Å; A195-L458 HydrophobicContact CB-CD2 3.89Å; A195-L458 HydrophobicContact CB-CG 3.99Å; A195-L458 CarbonylContact O-C 3.58Å; A195-L458 WeakPolarHBondContact O-CB 3.36Å; A271-L458 HydrophobicContact CB-CD1 3.82Å; H456-L458 VanDerWaalsContact CE1-CB 3.45Å; H456-L458 WeakPolarHBondContact CE1-CB 3.18Å; H456-L458 VanDerWaalsContact CE1-CD1 3.45Å; H456-L458 WeakPolarHBondContact CE1-CD1 3.34Å; H456-L458 WeakPolarHBondContact CE1-CG 3.35Å; H456-L458 VanDerWaalsContact ND1-CB 3.34Å; H456-L458 WeakPolarHBondContact ND1-CB 3.34Å; H456-L458 PolarHBondContact ND1-N 2.66Å; H456-L458 PolarHBondContact O-N 2.92Å; L458-M460 PolarHBondContact O-N 3.27Å
459	G	43.9	Very low	45.5	Very low	12 Å²	12	77.1 Å²	77.1	12%	0.124	46%	0.456	C	S	.	.	S	Bend	trans	-76.4	-0.9	-174.9	0	0	0	0	0	115.3	H456	H456-G459 PolarHBondContact O-N 2.92Å
460	M	51.5	Low	45	Very low	46 Å²	46	73.4 Å²	73.4	23%	0.227	44%	0.439	C	S	.	.			trans	-118.7	72.3	-169	-57.8	-57.4	-53.3	0	0	111.4	V369 T447 L458	V369-M460 HydrophobicContact CG1-CG 4.4Å; V369-M460 HydrophobicContact CG1-SD 3.51Å; V369-M460 VanDerWaalsContact CG1-SD 3.51Å; T447-M460 HydrophobicContact CG2-CE 3.19Å; T447-M460 HydrophobicContact CG2-SD 4.23Å; L458-M460 PolarHBondContact O-N 3.27Å
461	A	40.1	Very low	44.5	Very low	46 Å²	46	74.3 Å²	74.3	38%	0.38	45%	0.448	S	S	.	.			trans	-94	104.9	152.8	0	0	0	0	0	108.2	A196 K463	A196-A461 WeakPolarHBondContact O-CB 3.18Å; A196-A461 PolarHBondContact O-N 3.26Å; A461-K463 PolarHBondContact O-N 3.42Å
462	V	35.7	Very low	44	Very low	90 Å²	90	71.6 Å²	71.6	55%	0.545	44%	0.437	S	S	.	.			trans	-69.1	114.2	163.3	-179.9	0	0	0	0	105.9	S464	V462-S464 PolarHBondContact O-N 3.5Å
463	K	27.9	Very low	43.4	Very low	169 Å²	169	70.5 Å²	70.5	74%	0.735	43%	0.425	S	S	*	.			trans	-69.5	111.2	163.7	-70.4	-176.1	179.1	-178.4	0	106.1	A461 S465	A461-K463 PolarHBondContact O-N 3.42Å; K463-S465 PolarHBondContact O-N 3.24Å
464	S	25.3	Very low	42.8	Very low	96 Å²	96	66.3 Å²	66.3	67%	0.671	41%	0.413	S	S	*	.			trans	-65.5	123.3	163.3	-175.6	0	0	0	0	107.1	V462	V462-S464 PolarHBondContact O-N 3.5Å
465	S	25.1	Very low	41.9	Very low	181 Å²	181	69.7 Å²	69.7	100%	1.266	43%	0.429	S	S	*	.			trans	-54.6	0	162.8	40.4	0	0	0	0	112.3	K463	K463-S465 PolarHBondContact O-N 3.24Å

Retrieved 465 of 465 residues in 135.9 ms (Link to these results)

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