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Tumor necrosis factor ligand superfamily member 4

Cytokine that binds to TNFRSF4. Co-stimulates T-cell proliferation and cytokine production.

AlphaFold DB (P23510), UniProt , Accession A0A024R937, Species HUMAN (Homo sapiens, Human), Gene TNLG2B, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	44.4	Very low	238 Å²	238	173.7 Å²	173.7	100%	1.172	87%	0.871	S	S	*	*				0	140.8	0	-85.7	167	167.1	0	0	107.3
2	E	43.7	Very low	43.7	Very low	185 Å²	185	164.4 Å²	164.4	86%	0.864	85%	0.852	S	S	*	*			trans	66.1	94.4	175	-70.8	162.8	153.4	0	0	115.8
3	R	37.5	Very low	43.6	Very low	230 Å²	230	164.2 Å²	164.2	87%	0.868	85%	0.853	S	S	*	*				53.9	112.8	75.4	-136.4	-165.9	-78.9	-175.2	-2.4	109.5
4	V	48.9	Very low	43.5	Very low	147 Å²	147	160.2 Å²	160.2	89%	0.891	86%	0.856	S	S	*	*				-160.9	145.7	104.1	170.4	0	0	0	0	111.3
5	Q	50.2	Low	44.1	Very low	169 Å²	169	156.3 Å²	156.3	79%	0.79	85%	0.854	S	S	*	*			trans	-101	-164.1	-163.4	-149.5	-178.2	-0.2	0	0	110.2
6	P	43.2	Very low	44.8	Very low	114 Å²	114	160.6 Å²	160.6	74%	0.74	85%	0.854	S	S	*	*				-102.7	172.1	-107	38.1	-21.6	0	0	0	115.4	E8	P6-E8 PolarHBondContact O-N 3.23Å
7	L	47.8	Very low	45.3	Very low	178 Å²	178	157.1 Å²	157.1	93%	0.932	84%	0.842	S	S	*	*			trans	-69.3	93.7	-178.2	-169	82.8	0	0	0	113.1
8	E	43.8	Very low	45.9	Very low	191 Å²	191	160.1 Å²	160.1	89%	0.893	84%	0.84	S	S	*	*			trans	-147	106.7	153.3	-81.5	-155.3	163.1	0	0	110.2	P6	P6-E8 PolarHBondContact O-N 3.23Å
9	E	45.3	Very low	46.3	Very low	178 Å²	178	160.1 Å²	160.1	83%	0.832	83%	0.833	S	S	*	*			trans	-156.9	99.1	150.8	-157.1	165.8	-171.8	0	0	110.9
10	N	42.5	Very low	47	Very low	143 Å²	143	159 Å²	159	77%	0.765	82%	0.823	S	S	*	*			trans	48.7	156.4	130.2	-65.3	-46.5	0	0	0	123
11	V	45.1	Very low	47.7	Very low	138 Å²	138	160.1 Å²	160.1	84%	0.836	82%	0.817	S	S	*	*			trans	90.4	99.5	157.5	-160.6	0	0	0	0	112.8
12	G	35.5	Very low	49	Very low	62 Å²	62	153.8 Å²	153.8	64%	0.639	79%	0.788	S	S	*	*				108.5	130.3	57.9	0	0	0	0	0	108.7
13	N	43.1	Very low	50.4	Low	162 Å²	162	151.4 Å²	151.4	87%	0.866	78%	0.775	S	S	*	*			trans	80.3	82.3	170.5	-53.2	-34.7	0	0	0	117.8	A15	N13-A15 PolarHBondContact O-N 3.13Å
14	A	42	Very low	52.3	Low	108 Å²	108	146.3 Å²	146.3	89%	0.893	76%	0.764	S	S	*	*			trans	-57.6	118.3	158.6	0	0	0	0	0	110.5	R16	A14-R16 PolarHBondContact O-N 3.2Å; A14-R16 VanDerWaalsContact O-N 3.13Å
15	A	53.1	Low	53.8	Low	101 Å²	101	144.3 Å²	144.3	84%	0.835	75%	0.748	S	S	*	*			trans	-70.2	103.7	179	0	0	0	0	0	110.7	N13	N13-A15 PolarHBondContact O-N 3.13Å
16	R	54.4	Low	55.3	Low	226 Å²	226	141.9 Å²	141.9	85%	0.853	74%	0.74	S	S	*	*			trans	-51.7	140.4	167.1	-123.4	176.9	179.6	173.4	0.5	109.5	A14 R18	A14-R16 PolarHBondContact O-N 3.2Å; A14-R16 VanDerWaalsContact O-N 3.13Å; R16-R18 VanDerWaalsContact C-N 3.27Å; R16-R18 PolarHBondContact O-N 3.47Å
17	P	54.1	Low	57.3	Low	100 Å²	100	140.4 Å²	140.4	65%	0.649	73%	0.728	S	S	*	*			trans	-74.9	77.7	-172.3	31.4	-33.7	0	0	0	110.7	F19	P17-F19 PolarHBondContact O-N 3.03Å
18	R	55.1	Low	59	Low	211 Å²	211	134.1 Å²	134.1	80%	0.796	70%	0.702	S	S	*	*	H	α-helix	trans	-67.1	-21.4	171	-87.1	-178.9	170.4	165.4	-2.7	112	R16 N22	R16-R18 VanDerWaalsContact C-N 3.27Å; R16-R18 PolarHBondContact O-N 3.47Å; R18-N22 PolarHBondContact O-N 3.16Å
19	F	53.2	Low	61.1	Low	161 Å²	161	128.5 Å²	128.5	71%	0.706	68%	0.684	S	S	*	*	H	α-helix	trans	-73.7	-34.7	-171.1	-151.2	-101.4	0	0	0	113.7	P17	P17-F19 PolarHBondContact O-N 3.03Å
20	E	60.8	Low	63.2	Low	138 Å²	138	123.8 Å²	123.8	65%	0.645	67%	0.667	S	S	*	*	H	α-helix	trans	-75.4	-35.9	176.5	-68.3	-154.1	149.7	0	0	112.9	N22 K23 L24	E20-N22 VanDerWaalsContact C-N 3.3Å; E20-N22 PolarHBondContact O-N 3.37Å; E20-K23 PolarHBondContact O-N 3.42Å; E20-K23 VanDerWaalsContact O-N 3.16Å; E20-L24 PolarHBondContact O-N 3.4Å
21	R	61.4	Low	65.5	Low	183 Å²	183	122.3 Å²	122.3	69%	0.691	66%	0.658	S	S	*	*	H	α-helix	trans	-63.2	-37	179.6	-164.8	173.6	176.1	171	-2.1	112	L24 L25	R21-L24 PolarHBondContact O-N 2.73Å; R21-L25 HydrophobicContact CG-CD1 4.24Å; R21-L25 WeakPolarHBondContact O-CB 3.34Å; R21-L25 VanDerWaalsContact O-CG 3.25Å; R21-L25 WeakPolarHBondContact O-CG 3.31Å; R21-L25 PolarHBondContact O-N 3.28Å
22	N	67.8	Low	67.7	Low	105 Å²	105	122.2 Å²	122.2	56%	0.561	65%	0.648	S	S	*	*	H	α-helix	trans	-66.9	-37.3	175.8	-73.1	-0.6	0	0	0	112.2	R18 E20 L26	R18-N22 PolarHBondContact O-N 3.16Å; E20-N22 VanDerWaalsContact C-N 3.3Å; E20-N22 PolarHBondContact O-N 3.37Å; N22-L26 VanDerWaalsContact O-CB 3.3Å; N22-L26 WeakPolarHBondContact O-CB 3.42Å; N22-L26 PolarHBondContact O-N 2.98Å
23	K	73.9	Confident	70.4	Confident	135 Å²	135	121 Å²	121	59%	0.587	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-45.5	174.7	-74.1	-174	177.9	-178.2	0	111.8	E20 L25 L26 V27	E20-K23 PolarHBondContact O-N 3.42Å; E20-K23 VanDerWaalsContact O-N 3.16Å; K23-L25 PolarHBondContact O-N 3.44Å; K23-L26 PolarHBondContact O-N 3.35Å; K23-V27 WeakPolarHBondContact O-CG2 3.4Å; K23-V27 PolarHBondContact O-N 2.94Å
24	L	77.9	Confident	72.9	Confident	123 Å²	123	118.1 Å²	118.1	64%	0.644	62%	0.62	S	S	*	*	H	α-helix	trans	-61	-43	176.6	-97.2	127.4	0	0	0	112.4	E20 R21 L26 V27 A28	E20-L24 PolarHBondContact O-N 3.4Å; R21-L24 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 PolarHBondContact O-N 3.01Å; L24-V27 PolarHBondContact O-N 3.38Å; L24-A28 WeakPolarHBondContact O-CB 3.36Å; L24-A28 PolarHBondContact O-N 2.93Å
25	L	79.5	Confident	75.3	Confident	105 Å²	105	114.6 Å²	114.6	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-63.8	-37.9	175.5	-73.7	167.6	0	0	0	112	R21 K23 A28 S29	R21-L25 HydrophobicContact CG-CD1 4.24Å; R21-L25 WeakPolarHBondContact O-CB 3.34Å; R21-L25 VanDerWaalsContact O-CG 3.25Å; R21-L25 WeakPolarHBondContact O-CG 3.31Å; R21-L25 PolarHBondContact O-N 3.28Å; K23-L25 PolarHBondContact O-N 3.44Å; L25-A28 PolarHBondContact O-N 3.22Å; L25-S29 WeakPolarHBondContact O-CB 3.35Å; L25-S29 PolarHBondContact O-N 3Å
26	L	81.5	Confident	77.3	Confident	118 Å²	118	115.8 Å²	115.8	62%	0.618	59%	0.586	S	S	*	*	H	α-helix	trans	-68.5	-42.7	178.4	-161.3	138.6	0	0	0	111.4	N22 K23 L24 S29 V30	N22-L26 VanDerWaalsContact O-CB 3.3Å; N22-L26 WeakPolarHBondContact O-CB 3.42Å; N22-L26 PolarHBondContact O-N 2.98Å; K23-L26 PolarHBondContact O-N 3.35Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-N 2.94Å; L26-V30 HydrophobicContact CD2-CG2 4.42Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.46Å
27	V	85.1	Confident	79.2	Confident	83 Å²	83	110.4 Å²	110.4	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-61.8	-45.4	173.6	173.3	0	0	0	0	111.1	K23 L24 S29 V30 I31	K23-V27 WeakPolarHBondContact O-CG2 3.4Å; K23-V27 PolarHBondContact O-N 2.94Å; L24-V27 PolarHBondContact O-N 3.38Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.43Å; V27-V30 PolarHBondContact O-N 3.48Å; V27-I31 HydrophobicContact CG1-CD1 3.87Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.49Å
28	A	84.3	Confident	81	Confident	45 Å²	45	111 Å²	111	37%	0.372	57%	0.571	S	S	.	*	H	α-helix	trans	-61	-41.9	177.3	0	0	0	0	0	112.2	L24 L25 I31 Q32	L24-A28 WeakPolarHBondContact O-CB 3.36Å; L24-A28 PolarHBondContact O-N 2.93Å; L25-A28 PolarHBondContact O-N 3.22Å; A28-I31 PolarHBondContact O-N 2.97Å; A28-Q32 WeakPolarHBondContact O-CB 3.3Å; A28-Q32 WeakPolarHBondContact O-CG 3.25Å; A28-Q32 PolarHBondContact O-N 3.33Å
29	S	87	Confident	82.9	Confident	74 Å²	74	104.7 Å²	104.7	52%	0.517	56%	0.558	S	S	.	*	H	α-helix	trans	-63.5	-41.8	176.3	-177.1	0	0	0	0	112.2	L25 L26 V27 Q32 G33	L25-S29 WeakPolarHBondContact O-CB 3.35Å; L25-S29 PolarHBondContact O-N 3Å; L26-S29 PolarHBondContact O-N 2.94Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.43Å; S29-Q32 PolarHBondContact O-N 2.91Å; S29-G33 PolarHBondContact O-N 2.95Å
30	V	90	Very high	84.8	Confident	79 Å²	79	103.8 Å²	103.8	48%	0.479	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-45.2	175.9	170.7	0	0	0	0	111.1	L26 V27 G33 L34	L26-V30 HydrophobicContact CD2-CG2 4.42Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.46Å; V27-V30 PolarHBondContact O-N 3.48Å; V30-G33 PolarHBondContact O-N 3.39Å; V30-L34 HydrophobicContact CG1-CD1 3.81Å; V30-L34 PolarHBondContact O-N 3.31Å
31	I	91	Very high	86.2	Confident	111 Å²	111	100.2 Å²	100.2	57%	0.569	54%	0.542	S	S	*	.	H	α-helix	trans	-63.5	-43.8	177.9	-66.3	167.7	0	0	0	111	V27 A28 L34 G35	V27-I31 HydrophobicContact CG1-CD1 3.87Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.49Å; A28-I31 PolarHBondContact O-N 2.97Å; I31-L34 PolarHBondContact O-N 2.85Å; I31-G35 PolarHBondContact O-N 3.38Å
32	Q	91.8	Very high	87.6	Confident	136 Å²	136	98.4 Å²	98.4	64%	0.636	54%	0.536	S	S	*	.	H	α-helix	trans	-63.1	-40.9	175.8	-78.1	179.8	-30.2	0	0	112.1	A28 S29 G35 L36	A28-Q32 WeakPolarHBondContact O-CB 3.3Å; A28-Q32 WeakPolarHBondContact O-CG 3.25Å; A28-Q32 PolarHBondContact O-N 3.33Å; S29-Q32 PolarHBondContact O-N 2.91Å; Q32-G35 PolarHBondContact O-N 3.15Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 WeakPolarHBondContact O-CG 3.43Å; Q32-L36 PolarHBondContact O-N 3.37Å
33	G	91.9	Very high	88.5	Confident	38 Å²	38	98.3 Å²	98.3	39%	0.392	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175.8	0	0	0	0	0	112.5	S29 V30 L36 L37	S29-G33 PolarHBondContact O-N 2.95Å; V30-G33 PolarHBondContact O-N 3.39Å; G33-L36 PolarHBondContact O-N 2.94Å; G33-L37 WeakPolarHBondContact O-CB 3.5Å; G33-L37 PolarHBondContact O-N 3.45Å
34	L	94.5	Very high	89.2	Confident	101 Å²	101	94.6 Å²	94.6	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-42.4	173.7	-96.5	131.1	0	0	0	112.1	V30 I31 L37 L38	V30-L34 HydrophobicContact CG1-CD1 3.81Å; V30-L34 PolarHBondContact O-N 3.31Å; I31-L34 PolarHBondContact O-N 2.85Å; L34-L37 PolarHBondContact O-N 2.88Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.93Å
35	G	93	Very high	89.4	Confident	33 Å²	33	94.5 Å²	94.5	34%	0.34	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-43.8	176.1	0	0	0	0	0	112.8	I31 Q32 L38 C39	I31-G35 PolarHBondContact O-N 3.38Å; Q32-G35 PolarHBondContact O-N 3.15Å; G35-L38 PolarHBondContact O-N 2.9Å; G35-C39 PolarHBondContact O-N 3.32Å
36	L	94.5	Very high	89.3	Confident	127 Å²	127	94 Å²	94	67%	0.665	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-41.5	175.1	-79.2	166.3	0	0	0	111.9	Q32 G33 C39 F40	Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 WeakPolarHBondContact O-CG 3.43Å; Q32-L36 PolarHBondContact O-N 3.37Å; G33-L36 PolarHBondContact O-N 2.94Å; L36-C39 PolarHBondContact O-N 3.39Å; L36-F40 WeakPolarHBondContact O-CB 3.44Å; L36-F40 PolarHBondContact O-N 2.87Å
37	L	94.2	Very high	88.8	Confident	113 Å²	113	95.4 Å²	95.4	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-60.8	-46.1	175.7	-173.8	70.9	0	0	0	110.9	G33 L34 F40 T41	G33-L37 WeakPolarHBondContact O-CB 3.5Å; G33-L37 PolarHBondContact O-N 3.45Å; L34-L37 PolarHBondContact O-N 2.88Å; L37-F40 PolarHBondContact O-N 2.93Å; L37-T41 WeakPolarHBondContact O-CG2 3.4Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 2.93Å
38	L	93.8	Very high	87.7	Confident	113 Å²	113	95 Å²	95	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-61	-46.8	176.2	-73.1	171.1	0	0	0	111.6	L34 G35 F40 T41 Y42	L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.93Å; G35-L38 PolarHBondContact O-N 2.9Å; L38-F40 VanDerWaalsContact C-N 3.32Å; L38-F40 PolarHBondContact O-N 3.36Å; L38-T41 WeakPolarHBondContact CA-OG1 3.43Å; L38-T41 PolarHBondContact O-N 2.77Å; L38-T41 PolarHBondContact O-OG1 3.29Å; L38-Y42 WeakPolarHBondContact O-CB 3.45Å; L38-Y42 PolarHBondContact O-N 3.36Å
39	C	93.6	Very high	86.4	Confident	78 Å²	78	96 Å²	96	53%	0.527	53%	0.529	S	S	.	.	H	α-helix	trans	-57.6	-44	174.2	-81.5	0	0	0	0	112.2	G35 L36 Y42 I43	G35-C39 PolarHBondContact O-N 3.32Å; L36-C39 PolarHBondContact O-N 3.39Å; C39-Y42 PolarHBondContact O-N 2.9Å; C39-I43 VanDerWaalsContact O-CG1 3.28Å; C39-I43 WeakPolarHBondContact O-CG1 3.5Å; C39-I43 PolarHBondContact O-N 3.25Å
40	F	92.8	Very high	84.9	Confident	141 Å²	141	99 Å²	99	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-64.5	-44.3	179.3	-159.8	-93.6	0	0	0	111.3	L36 L37 L38 Y42 I43 C44	L36-F40 WeakPolarHBondContact O-CB 3.44Å; L36-F40 PolarHBondContact O-N 2.87Å; L37-F40 PolarHBondContact O-N 2.93Å; L38-F40 VanDerWaalsContact C-N 3.32Å; L38-F40 PolarHBondContact O-N 3.36Å; F40-Y42 VanDerWaalsContact C-N 3.34Å; F40-Y42 PolarHBondContact O-N 2.92Å; F40-I43 PolarHBondContact O-N 3.42Å; F40-C44 VanDerWaalsContact CE1-SG 3.57Å; F40-C44 WeakPolarHBondContact O-CB 3.28Å; F40-C44 PolarHBondContact O-N 2.85Å; F40-C44 PolarHBondContact O-SG 2.89Å
41	T	90.5	Very high	82.9	Confident	64 Å²	64	102.3 Å²	102.3	39%	0.393	55%	0.549	S	S	.	.	H	α-helix	trans	-62.7	-39.6	175.4	59	0	0	0	0	112.5	L37 L38 C44 L45	L37-T41 WeakPolarHBondContact O-CG2 3.4Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 2.93Å; L38-T41 WeakPolarHBondContact CA-OG1 3.43Å; L38-T41 PolarHBondContact O-N 2.77Å; L38-T41 PolarHBondContact O-OG1 3.29Å; T41-C44 PolarHBondContact O-N 3.38Å; T41-L45 WeakPolarHBondContact O-CB 3.41Å; T41-L45 WeakPolarHBondContact O-CD1 3.35Å; T41-L45 WeakPolarHBondContact O-CG 3.38Å; T41-L45 PolarHBondContact O-N 3.48Å
42	Y	90.7	Very high	80.9	Confident	144 Å²	144	101.3 Å²	101.3	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-45.4	176.3	-179.1	-93.4	0	0	0	111.7	L38 C39 F40 L45 H46	L38-Y42 WeakPolarHBondContact O-CB 3.45Å; L38-Y42 PolarHBondContact O-N 3.36Å; C39-Y42 PolarHBondContact O-N 2.9Å; F40-Y42 VanDerWaalsContact C-N 3.34Å; F40-Y42 PolarHBondContact O-N 2.92Å; Y42-L45 PolarHBondContact O-N 3.41Å; Y42-H46 AromaticContact CD1-CD2 3.96Å; Y42-H46 AromaticContact CD2-CD2 3.87Å; Y42-H46 AromaticContact CE1-CD2 3.5Å; Y42-H46 VanDerWaalsContact CE1-CD2 3.5Å; Y42-H46 WeakPolarHBondContact CE1-CD2 3.41Å; Y42-H46 AromaticContact CE2-CD2 3.4Å; Y42-H46 VanDerWaalsContact CE2-CD2 3.4Å; Y42-H46 WeakPolarHBondContact CE2-CD2 3.33Å; Y42-H46 AromaticContact CE2-NE2 3.41Å; Y42-H46 WeakPolarHBondContact CE2-NE2 3.16Å; Y42-H46 AromaticContact CZ-CD2 3.21Å; Y42-H46 AromaticContact CZ-NE2 3.25Å; Y42-H46 VanDerWaalsContact CZ-NE2 3.25Å; Y42-H46 WeakPolarHBondContact O-CB 3.38Å; Y42-H46 PolarHBondContact O-N 2.8Å; Y42-H46 PolarHBondContact OH-NE2 3.43Å; Y42-H46 VanDerWaalsContact OH-NE2 3.15Å
43	I	87.9	Confident	78.7	Confident	104 Å²	104	99.9 Å²	99.9	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-46.6	175.8	-67.3	165.5	0	0	0	110.2	C39 F40 L45 H46 F47	C39-I43 VanDerWaalsContact O-CG1 3.28Å; C39-I43 WeakPolarHBondContact O-CG1 3.5Å; C39-I43 PolarHBondContact O-N 3.25Å; F40-I43 PolarHBondContact O-N 3.42Å; I43-L45 PolarHBondContact O-N 2.86Å; I43-H46 PolarHBondContact O-N 3.34Å; I43-F47 WeakPolarHBondContact O-CB 3.37Å; I43-F47 PolarHBondContact O-N 3.48Å
44	C	87.4	Confident	76.5	Confident	56 Å²	56	103.4 Å²	103.4	38%	0.378	56%	0.559	S	S	.	*	H	α-helix	trans	-60.8	-45	177.5	-70.9	0	0	0	0	112	F40 T41 F47 S48	F40-C44 VanDerWaalsContact CE1-SG 3.57Å; F40-C44 WeakPolarHBondContact O-CB 3.28Å; F40-C44 PolarHBondContact O-N 2.85Å; F40-C44 PolarHBondContact O-SG 2.89Å; T41-C44 PolarHBondContact O-N 3.38Å; C44-F47 PolarHBondContact O-N 3.48Å; C44-S48 VanDerWaalsContact O-CB 3.3Å; C44-S48 WeakPolarHBondContact O-CB 3.46Å; C44-S48 PolarHBondContact O-N 3.12Å; C44-S48 PolarHBondContact O-OG 3.03Å; C44-S48 VanDerWaalsContact O-OG 3.06Å
45	L	83.4	Confident	74.3	Confident	122 Å²	122	109.6 Å²	109.6	64%	0.639	58%	0.575	S	S	*	*	H	α-helix	trans	-63.2	-44.6	177.2	-80.7	160.9	0	0	0	112	T41 Y42 I43 S48 A49	T41-L45 WeakPolarHBondContact O-CB 3.41Å; T41-L45 WeakPolarHBondContact O-CD1 3.35Å; T41-L45 WeakPolarHBondContact O-CG 3.38Å; T41-L45 PolarHBondContact O-N 3.48Å; Y42-L45 PolarHBondContact O-N 3.41Å; I43-L45 PolarHBondContact O-N 2.86Å; L45-S48 PolarHBondContact O-N 2.89Å; L45-A49 WeakPolarHBondContact O-CB 3.3Å; L45-A49 PolarHBondContact O-N 3.41Å
46	H	76.8	Confident	72.4	Confident	95 Å²	95	113.6 Å²	113.6	44%	0.44	58%	0.581	S	S	.	*	H	α-helix	trans	-69.6	-34.7	177.3	-95.5	-78.7	0	0	0	113.1	Y42 I43 A49 L50	Y42-H46 AromaticContact CD1-CD2 3.96Å; Y42-H46 AromaticContact CD2-CD2 3.87Å; Y42-H46 AromaticContact CE1-CD2 3.5Å; Y42-H46 VanDerWaalsContact CE1-CD2 3.5Å; Y42-H46 WeakPolarHBondContact CE1-CD2 3.41Å; Y42-H46 AromaticContact CE2-CD2 3.4Å; Y42-H46 VanDerWaalsContact CE2-CD2 3.4Å; Y42-H46 WeakPolarHBondContact CE2-CD2 3.33Å; Y42-H46 AromaticContact CE2-NE2 3.41Å; Y42-H46 WeakPolarHBondContact CE2-NE2 3.16Å; Y42-H46 AromaticContact CZ-CD2 3.21Å; Y42-H46 AromaticContact CZ-NE2 3.25Å; Y42-H46 VanDerWaalsContact CZ-NE2 3.25Å; Y42-H46 WeakPolarHBondContact O-CB 3.38Å; Y42-H46 PolarHBondContact O-N 2.8Å; Y42-H46 PolarHBondContact OH-NE2 3.43Å; Y42-H46 VanDerWaalsContact OH-NE2 3.15Å; I43-H46 PolarHBondContact O-N 3.34Å; H46-A49 PolarHBondContact O-N 3.27Å; H46-L50 PolarHBondContact O-N 3.46Å
47	F	71.1	Confident	70.8	Confident	146 Å²	146	110.8 Å²	110.8	64%	0.64	57%	0.57	S	S	*	*	H	α-helix	trans	-71.1	-38.1	176.2	-158.8	-92.5	0	0	0	111.3	I43 C44 L50 Q51	I43-F47 WeakPolarHBondContact O-CB 3.37Å; I43-F47 PolarHBondContact O-N 3.48Å; C44-F47 PolarHBondContact O-N 3.48Å; F47-L50 WeakPolarHBondContact O-CB 3.48Å; F47-L50 PolarHBondContact O-N 3.37Å; F47-Q51 PolarHBondContact O-N 2.86Å
48	S	61.1	Low	69.9	Low	74 Å²	74	114.2 Å²	114.2	52%	0.517	58%	0.575	S	S	.	*	H	α-helix	trans	-67.8	-33.9	170.6	-66.9	0	0	0	0	112.3	C44 L45 L50 Q51	C44-S48 VanDerWaalsContact O-CB 3.3Å; C44-S48 WeakPolarHBondContact O-CB 3.46Å; C44-S48 PolarHBondContact O-N 3.12Å; C44-S48 PolarHBondContact O-OG 3.03Å; C44-S48 VanDerWaalsContact O-OG 3.06Å; L45-S48 PolarHBondContact O-N 2.89Å; S48-L50 VanDerWaalsContact C-N 3.28Å; S48-L50 PolarHBondContact O-N 3.06Å; S48-Q51 WeakPolarHBondContact O-CB 3.45Å; S48-Q51 PolarHBondContact O-N 3.41Å; S48-Q51 VanDerWaalsContact O-N 3.12Å
49	A	57.8	Low	69.4	Low	66 Å²	66	113.3 Å²	113.3	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-68.3	-27	172.7	0	0	0	0	0	112.6	L45 H46 Q51	L45-A49 WeakPolarHBondContact O-CB 3.3Å; L45-A49 PolarHBondContact O-N 3.41Å; H46-A49 PolarHBondContact O-N 3.27Å; A49-Q51 PolarHBondContact O-N 3.31Å
50	L	54.5	Low	69.2	Low	137 Å²	137	109.9 Å²	109.9	72%	0.717	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.3	171.1	-109.1	103.1	0	0	0	113.5	H46 F47 S48 V52	H46-L50 PolarHBondContact O-N 3.46Å; F47-L50 WeakPolarHBondContact O-CB 3.48Å; F47-L50 PolarHBondContact O-N 3.37Å; S48-L50 VanDerWaalsContact C-N 3.28Å; S48-L50 PolarHBondContact O-N 3.06Å; L50-V52 PolarHBondContact O-N 3.49Å
51	Q	48.8	Very low	69.2	Low	149 Å²	149	105.7 Å²	105.7	70%	0.696	54%	0.535	S	S	*	.			trans	-81.2	52.5	166.3	-70.1	-178.8	-17	0	0	110.6	F47 S48 A49 S53	F47-Q51 PolarHBondContact O-N 2.86Å; S48-Q51 WeakPolarHBondContact O-CB 3.45Å; S48-Q51 PolarHBondContact O-N 3.41Å; S48-Q51 VanDerWaalsContact O-N 3.12Å; A49-Q51 PolarHBondContact O-N 3.31Å; Q51-S53 PolarHBondContact O-N 2.71Å
52	V	48.9	Very low	69.4	Low	90 Å²	90	102.9 Å²	102.9	55%	0.545	52%	0.517	S	S	.	.			trans	-60.9	114.6	151.3	-177.8	0	0	0	0	104.2	L50 H54	L50-V52 PolarHBondContact O-N 3.49Å; V52-H54 PolarHBondContact O-N 2.84Å
53	S	44.9	Very low	69.6	Low	107 Å²	107	99.8 Å²	99.8	75%	0.748	51%	0.507	S	S	*	.			trans	-57.3	88.4	169.6	179.4	0	0	0	0	106.9	Q51 R55	Q51-S53 PolarHBondContact O-N 2.71Å; S53-R55 PolarHBondContact O-N 3.34Å
54	H	46	Very low	70	Confident	111 Å²	111	94.8 Å²	94.8	51%	0.514	48%	0.481	S	S	.	.			trans	-73	68.1	171.6	-83.5	-50.5	0	0	0	106.7	V52 Y56	V52-H54 PolarHBondContact O-N 2.84Å; H54-Y56 HydrophobicContact CB-CD2 3.48Å; H54-Y56 VanDerWaalsContact CB-CD2 3.48Å; H54-Y56 HydrophobicContact CB-CE2 3.32Å; H54-Y56 HydrophobicContact CB-CG 4.19Å; H54-Y56 AromaticContact CD2-CE2 3.77Å; H54-Y56 AromaticContact CD2-CZ 3.79Å; H54-Y56 PolarHBondContact CD2-OH 3.37Å; H54-Y56 AromaticContact CE1-CE1 3.82Å; H54-Y56 AromaticContact CE1-CZ 3.38Å; H54-Y56 PolarHBondContact CE1-OH 2.76Å; H54-Y56 AromaticContact CG-CD2 3.9Å; H54-Y56 AromaticContact CG-CE2 3.25Å; H54-Y56 AromaticContact CG-CZ 3.36Å; H54-Y56 AromaticContact ND1-CE1 3.4Å; H54-Y56 WeakPolarHBondContact ND1-CE1 3.16Å; H54-Y56 AromaticContact ND1-CE2 3.5Å; H54-Y56 WeakPolarHBondContact ND1-CE2 3.24Å; H54-Y56 AromaticContact ND1-CZ 3.07Å; H54-Y56 PolarHBondContact ND1-OH 3.35Å; H54-Y56 AromaticContact NE2-CZ 3.79Å; H54-Y56 PolarHBondContact NE2-OH 3.06Å; H54-Y56 VanDerWaalsContact NE2-OH 3.11Å; H54-Y56 PolarHBondContact O-N 2.92Å
55	R	49.6	Very low	70.4	Confident	232 Å²	232	95.5 Å²	95.5	88%	0.875	48%	0.479	S	S	*	.			trans	-69.9	64.6	150.5	-146.1	179.4	-161.6	-173.9	4.1	105.4	S53	S53-R55 PolarHBondContact O-N 3.34Å
56	Y	51.4	Low	71	Confident	116 Å²	116	89.7 Å²	89.7	46%	0.455	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-52.7	127.1	171.6	-77.1	-67.1	0	0	0	105.2	H54 R58 P177	H54-Y56 HydrophobicContact CB-CD2 3.48Å; H54-Y56 VanDerWaalsContact CB-CD2 3.48Å; H54-Y56 HydrophobicContact CB-CE2 3.32Å; H54-Y56 HydrophobicContact CB-CG 4.19Å; H54-Y56 AromaticContact CD2-CE2 3.77Å; H54-Y56 AromaticContact CD2-CZ 3.79Å; H54-Y56 PolarHBondContact CD2-OH 3.37Å; H54-Y56 AromaticContact CE1-CE1 3.82Å; H54-Y56 AromaticContact CE1-CZ 3.38Å; H54-Y56 PolarHBondContact CE1-OH 2.76Å; H54-Y56 AromaticContact CG-CD2 3.9Å; H54-Y56 AromaticContact CG-CE2 3.25Å; H54-Y56 AromaticContact CG-CZ 3.36Å; H54-Y56 AromaticContact ND1-CE1 3.4Å; H54-Y56 WeakPolarHBondContact ND1-CE1 3.16Å; H54-Y56 AromaticContact ND1-CE2 3.5Å; H54-Y56 WeakPolarHBondContact ND1-CE2 3.24Å; H54-Y56 AromaticContact ND1-CZ 3.07Å; H54-Y56 PolarHBondContact ND1-OH 3.35Å; H54-Y56 AromaticContact NE2-CZ 3.79Å; H54-Y56 PolarHBondContact NE2-OH 3.06Å; H54-Y56 VanDerWaalsContact NE2-OH 3.11Å; H54-Y56 PolarHBondContact O-N 2.92Å; Y56-R58 PolarHBondContact O-N 2.75Å; Y56-P177 HydrophobicContact CD1-CB 3.91Å; Y56-P177 HydrophobicContact CD1-CG 4.49Å; Y56-P177 HydrophobicContact CE1-CB 4.24Å; Y56-P177 HydrophobicContact CE1-CG 4.39Å
57	P	61.6	Low	71.8	Confident	69 Å²	69	89.1 Å²	89.1	45%	0.448	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-49.6	133.8	167.4	19.9	-28.1	0	0	0	106.7	I59	P57-I59 PolarHBondContact O-N 2.8Å
58	R	74.8	Confident	72.9	Confident	184 Å²	184	87 Å²	87	69%	0.694	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-50.5	130.8	-173	-174.8	-163.4	-81.8	172.8	-5.2	107.5	Y56 Q60 I85	Y56-R58 PolarHBondContact O-N 2.75Å; R58-Q60 PolarHBondContact O-N 2.95Å; R58-I85 VanDerWaalsContact C-CD1 3.49Å; R58-I85 HydrophobicContact CB-CD1 3.48Å; R58-I85 VanDerWaalsContact CB-CD1 3.48Å; R58-I85 VanDerWaalsContact CD-CD1 3.43Å; R58-I85 HydrophobicContact CG-CD1 3.45Å; R58-I85 VanDerWaalsContact CG-CD1 3.45Å; R58-I85 HydrophobicContact CG-CG1 4.39Å; R58-I85 WeakPolarHBondContact O-CD1 3.02Å
59	I	82.9	Confident	74.4	Confident	95 Å²	95	86.1 Å²	86.1	49%	0.487	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-53.2	124.6	-171.8	-64.5	172.4	0	0	0	109.2	P57 S61 I85 I173	P57-I59 PolarHBondContact O-N 2.8Å; I59-S61 PolarHBondContact O-N 3.2Å; I59-S61 PolarHBondContact O-OG 3.11Å; I59-I85 VanDerWaalsContact O-CD1 3.31Å; I59-I85 WeakPolarHBondContact O-CD1 3.03Å; I59-I173 HydrophobicContact CG2-CG2 4.26Å
60	Q	89.8	Confident	76	Confident	6 Å²	6	87.1 Å²	87.1	3%	0.028	42%	0.421	C	S	.	.			trans	-61.9	109.4	174.6	-67.1	-71.7	-18	0	0	108.4	R58 I85 M86 C97 H174	R58-Q60 PolarHBondContact O-N 2.95Å; Q60-I85 VanDerWaalsContact NE2-CG2 3.25Å; Q60-I85 VanDerWaalsContact OE1-CG2 3.31Å; Q60-M86 HydrophobicContact CB-CG 4.02Å; Q60-M86 HydrophobicContact CB-SD 3.99Å; Q60-C97 HydrophobicContact CG-CB 4.3Å; Q60-C97 WeakPolarHBondContact CG-SG 3.42Å; Q60-H174 HydrophobicContact CB-CB 3.76Å; Q60-H174 VanDerWaalsContact O-CB 3.28Å; Q60-H174 WeakPolarHBondContact O-CB 3.34Å; Q60-H174 PolarHBondContact O-N 2.81Å
61	S	93.2	Very high	77.5	Confident	53 Å²	53	88.9 Å²	88.9	37%	0.371	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.3	175.6	56.4	0	0	0	0	110	I59 L172	I59-S61 PolarHBondContact O-N 3.2Å; I59-S61 PolarHBondContact O-OG 3.11Å; S61-L172 CarbonylContact C-O 3.56Å; S61-L172 WeakPolarHBondContact CA-O 3.28Å
62	I	95	Very high	79.3	Confident	5 Å²	5	90.8 Å²	90.8	3%	0.026	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.1	176.6	-150.7	176.9	0	0	0	109.9	V64 E84 M86 V88 V93 I171 L172	I62-V64 HydrophobicContact CD1-CG2 3.66Å; I62-V64 HydrophobicContact CG1-CG2 3.86Å; I62-V64 HydrophobicContact CG2-CG2 4.03Å; I62-E84 WeakPolarHBondContact CG1-OE2 3.44Å; I62-M86 HydrophobicContact CB-CB 3.84Å; I62-M86 HydrophobicContact CB-SD 4.21Å; I62-M86 HydrophobicContact CD1-CB 4.02Å; I62-M86 WeakPolarHBondContact CD1-O 3.37Å; I62-M86 HydrophobicContact CG1-CB 4.18Å; I62-M86 HydrophobicContact CG2-SD 4.39Å; I62-V88 HydrophobicContact CD1-CG2 3.83Å; I62-V93 HydrophobicContact CD1-CG1 4.3Å; I62-V93 HydrophobicContact CD1-CG2 4.35Å; I62-V93 HydrophobicContact CG2-CG1 3.76Å; I62-V93 HydrophobicContact CG2-CG2 4.09Å; I62-I171 WeakPolarHBondContact O-CA 3.33Å; I62-L172 HydrophobicContact CG2-CB 4.17Å; I62-L172 HydrophobicContact CG2-CD1 3.96Å; I62-L172 PolarHBondContact N-O 3.36Å; I62-L172 PolarHBondContact O-N 3.19Å; I62-L172 VanDerWaalsContact O-N 3.09Å
63	K	95.1	Very high	81.3	Confident	78 Å²	78	93.6 Å²	93.6	34%	0.339	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.1	166.5	173.6	174.4	168.5	155.9	0	107.9	E169 I171	K63-E169 WeakPolarHBondContact CE-OE2 3.49Å; K63-E169 HydrophobicContact CG-CG 4.47Å; K63-E169 IonicContact NZ-OE2 3.36Å; K63-E169 PolarHBondContact NZ-OE2 2.87Å; K63-I171 HydrophobicContact CB-CG1 4.19Å; K63-I171 HydrophobicContact CG-CG1 4.03Å
64	V	95.5	Very high	83.6	Confident	0 Å²	0	89 Å²	89	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.5	-177.3	177.5	0	0	0	0	108.9	I62 L77 T78 V88 V93 E169 L170	I62-V64 HydrophobicContact CD1-CG2 3.66Å; I62-V64 HydrophobicContact CG1-CG2 3.86Å; I62-V64 HydrophobicContact CG2-CG2 4.03Å; V64-L77 HydrophobicContact CG1-CB 3.54Å; V64-L77 HydrophobicContact CG1-CD1 4.33Å; V64-L77 HydrophobicContact CG1-CD2 3.88Å; V64-L77 HydrophobicContact CG1-CG 4.09Å; V64-T78 CarbonylContact C-O 3.53Å; V64-T78 WeakPolarHBondContact CA-O 3.43Å; V64-T78 WeakPolarHBondContact CG1-O 3.48Å; V64-V88 HydrophobicContact CG1-CG2 4.34Å; V64-V88 HydrophobicContact CG2-CG2 3.66Å; V64-V93 HydrophobicContact CG2-CG2 3.92Å; V64-E169 WeakPolarHBondContact O-CA 3.13Å; V64-L170 HydrophobicContact CB-CB 4.49Å; V64-L170 PolarHBondContact N-O 3.31Å; V64-L170 PolarHBondContact O-N 3.11Å
65	Q	96.7	Very high	86	Confident	71 Å²	71	83.9 Å²	83.9	33%	0.332	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	153.6	170.2	-64.8	-174.2	-51.4	0	0	110	L77 T78 G168	Q65-L77 WeakPolarHBondContact O-CA 3.41Å; Q65-T78 PolarHBondContact N-O 2.03Å; Q65-T78 PolarHBondContact O-N 3.48Å; Q65-T78 PolarHBondContact O-OG1 2.66Å; Q65-G168 WeakPolarHBondContact CA-O 3.29Å
66	F	96.3	Very high	88.2	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	113.9	174.6	60.2	-95.4	0	0	0	109.5	F75 I76 L77 L105 K106 F109 L151 V165 G168 L170	F66-F75 HydrophobicContact CB-CB 4.05Å; F66-F75 HydrophobicContact CD2-CB 4.12Å; F66-F75 HydrophobicContact CD2-CD1 4.34Å; F66-F75 HydrophobicContact CD2-CD2 4.49Å; F66-F75 HydrophobicContact CD2-CG 4.07Å; F66-F75 HydrophobicContact CG-CB 4.47Å; F66-I76 WeakPolarHBondContact CA-O 3.47Å; F66-L77 HydrophobicContact CB-CD2 3.78Å; F66-L77 HydrophobicContact CD1-CD2 4.2Å; F66-L77 HydrophobicContact CG-CD2 4.31Å; F66-L105 HydrophobicContact CE1-CD1 3.7Å; F66-L105 HydrophobicContact CZ-CD1 3.73Å; F66-K106 VanDerWaalsContact CZ-O 3.24Å; F66-K106 WeakPolarHBondContact CZ-O 3.31Å; F66-F109 HydrophobicContact CE2-CZ 4.44Å; F66-L151 HydrophobicContact CD1-CD2 4.07Å; F66-L151 HydrophobicContact CD2-CD2 3.78Å; F66-L151 HydrophobicContact CE1-CD2 3.95Å; F66-L151 HydrophobicContact CE2-CD2 3.68Å; F66-L151 HydrophobicContact CG-CD2 4Å; F66-L151 HydrophobicContact CZ-CD2 3.77Å; F66-V165 HydrophobicContact CD2-CG1 3.96Å; F66-V165 HydrophobicContact CE2-CG1 4.2Å; F66-V165 HydrophobicContact CE2-CG2 4.14Å; F66-V165 WeakPolarHBondContact O-CG1 3.41Å; F66-G168 VanDerWaalsContact CE1-C 3.46Å; F66-G168 VanDerWaalsContact CZ-CA 3.5Å; F66-G168 PolarHBondContact N-O 3.08Å; F66-G168 VanDerWaalsContact N-O 3.08Å; F66-L170 HydrophobicContact CD1-CB 4.49Å; F66-L170 HydrophobicContact CE1-CB 4.28Å
67	T	93.3	Very high	90.4	Very high	83 Å²	83	69.2 Å²	69.2	51%	0.509	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-43.3	-172	52.7	0	0	0	0	111.8
68	E	92.9	Very high	91.9	Very high	101 Å²	101	69 Å²	69	47%	0.472	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.8	176.3	-172.7	-172.1	-167.7	0	0	110.7	K70 F75 I76	E68-K70 WeakPolarHBondContact OE1-CE 3.28Å; E68-K70 IonicContact OE1-NZ 2.65Å; E68-K70 PolarHBondContact OE1-NZ 3.03Å; E68-K70 VanDerWaalsContact OE2-CE 3.3Å; E68-K70 WeakPolarHBondContact OE2-CE 3.4Å; E68-K70 IonicContact OE2-NZ 3.19Å; E68-K70 PolarHBondContact OE2-NZ 3.34Å; E68-F75 CarbonylContact O-C 3.55Å; E68-F75 VanDerWaalsContact O-CA 3.29Å; E68-F75 WeakPolarHBondContact O-CA 3.5Å; E68-I76 HydrophobicContact CB-CB 4.5Å; E68-I76 HydrophobicContact CB-CG1 4.48Å; E68-I76 PolarHBondContact O-N 3.39Å
69	Y	93.6	Very high	92.6	Very high	56 Å²	56	62.6 Å²	62.6	22%	0.22	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131	172.2	-174.9	-99.5	0	0	0	111.2	F75 L160 F163	Y69-F75 HydrophobicContact CD2-CD1 4.28Å; Y69-F75 AromaticContact CD2-CD2 3.83Å; Y69-F75 HydrophobicContact CD2-CD2 3.83Å; Y69-F75 HydrophobicContact CD2-CE1 4.32Å; Y69-F75 AromaticContact CD2-CE2 3.89Å; Y69-F75 HydrophobicContact CD2-CE2 3.89Å; Y69-F75 HydrophobicContact CD2-CG 4.03Å; Y69-F75 HydrophobicContact CD2-CZ 4.14Å; Y69-F75 HydrophobicContact CE2-CD2 4.44Å; Y69-F75 HydrophobicContact CE2-CE2 4.5Å; Y69-L160 HydrophobicContact CD1-CD2 4.37Å; Y69-L160 HydrophobicContact CE1-CD1 4.32Å; Y69-L160 HydrophobicContact CE1-CD2 3.88Å; Y69-F163 AromaticContact CD1-CD1 3.61Å; Y69-F163 HydrophobicContact CD1-CD1 3.61Å; Y69-F163 AromaticContact CD1-CE1 3.93Å; Y69-F163 HydrophobicContact CD1-CE1 3.93Å; Y69-F163 AromaticContact CD2-CD1 3.94Å; Y69-F163 HydrophobicContact CD2-CD1 3.94Å; Y69-F163 AromaticContact CD2-CE1 3.43Å; Y69-F163 HydrophobicContact CD2-CE1 3.43Å; Y69-F163 VanDerWaalsContact CD2-CE1 3.43Å; Y69-F163 AromaticContact CE1-CD1 3.94Å; Y69-F163 HydrophobicContact CE1-CD1 3.94Å; Y69-F163 HydrophobicContact CE1-CE1 4.04Å; Y69-F163 HydrophobicContact CE2-CD1 4.25Å; Y69-F163 AromaticContact CE2-CE1 3.56Å; Y69-F163 HydrophobicContact CE2-CE1 3.56Å; Y69-F163 AromaticContact CG-CD1 3.59Å; Y69-F163 HydrophobicContact CG-CD1 3.59Å; Y69-F163 AromaticContact CG-CE1 3.61Å; Y69-F163 HydrophobicContact CG-CE1 3.61Å; Y69-F163 AromaticContact CZ-CE1 3.86Å
70	K	91.5	Very high	92.1	Very high	86 Å²	86	63.3 Å²	63.3	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.5	173.2	-65.2	-170	-177.7	174.4	0	109.9	E68 E72 K73 G74 I76	E68-K70 WeakPolarHBondContact OE1-CE 3.28Å; E68-K70 IonicContact OE1-NZ 2.65Å; E68-K70 PolarHBondContact OE1-NZ 3.03Å; E68-K70 VanDerWaalsContact OE2-CE 3.3Å; E68-K70 WeakPolarHBondContact OE2-CE 3.4Å; E68-K70 IonicContact OE2-NZ 3.19Å; E68-K70 PolarHBondContact OE2-NZ 3.34Å; K70-E72 PolarHBondContact O-N 2.72Å; K70-K73 HydrophobicContact CB-CB 4.15Å; K70-K73 PolarHBondContact O-N 2.99Å; K70-G74 PolarHBondContact N-O 2.83Å; K70-G74 PolarHBondContact O-N 3.35Å; K70-I76 HydrophobicContact CB-CD1 4.37Å; K70-I76 HydrophobicContact CD-CD1 3.96Å; K70-I76 HydrophobicContact CD-CG1 4.04Å; K70-I76 HydrophobicContact CG-CD1 4.13Å; K70-I76 HydrophobicContact CG-CG1 4.07Å
71	K	85.8	Confident	91.2	Very high	175 Å²	175	69.6 Å²	69.6	76%	0.761	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-39.9	-175.2	-172.7	176.4	180	178.2	0	114.7	L160	K71-L160 HydrophobicContact CG-CD1 4.27Å
72	E	86.9	Confident	89.7	Confident	189 Å²	189	76.6 Å²	76.6	88%	0.883	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-14.6	-178.1	-63.7	-178.8	178.5	0	0	114.6	K70	K70-E72 PolarHBondContact O-N 2.72Å
73	K	91.3	Very high	88.3	Confident	148 Å²	148	83 Å²	83	64%	0.643	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-10.8	-173.9	-62.5	-173.2	178.1	-177.5	0	114.1	K70 I76 N91	K70-K73 HydrophobicContact CB-CB 4.15Å; K70-K73 PolarHBondContact O-N 2.99Å; K73-I76 HydrophobicContact CB-CD1 3.99Å; K73-I76 HydrophobicContact CD-CD1 4.46Å; K73-N91 PolarHBondContact O-ND2 2.82Å
74	G	93.7	Very high	87.3	Confident	12 Å²	12	80.7 Å²	80.7	12%	0.124	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-156.1	-170.9	0	0	0	0	0	112.3	K70	K70-G74 PolarHBondContact N-O 2.83Å; K70-G74 PolarHBondContact O-N 3.35Å
75	F	96	Very high	86.8	Confident	2 Å²	2	83 Å²	83	1%	0.009	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.3	173.5	-77.7	-76.1	0	0	0	111.5	F66 E68 Y69 N91 F109 V153 F163 V165	F66-F75 HydrophobicContact CB-CB 4.05Å; F66-F75 HydrophobicContact CD2-CB 4.12Å; F66-F75 HydrophobicContact CD2-CD1 4.34Å; F66-F75 HydrophobicContact CD2-CD2 4.49Å; F66-F75 HydrophobicContact CD2-CG 4.07Å; F66-F75 HydrophobicContact CG-CB 4.47Å; E68-F75 CarbonylContact O-C 3.55Å; E68-F75 VanDerWaalsContact O-CA 3.29Å; E68-F75 WeakPolarHBondContact O-CA 3.5Å; Y69-F75 HydrophobicContact CD2-CD1 4.28Å; Y69-F75 AromaticContact CD2-CD2 3.83Å; Y69-F75 HydrophobicContact CD2-CD2 3.83Å; Y69-F75 HydrophobicContact CD2-CE1 4.32Å; Y69-F75 AromaticContact CD2-CE2 3.89Å; Y69-F75 HydrophobicContact CD2-CE2 3.89Å; Y69-F75 HydrophobicContact CD2-CG 4.03Å; Y69-F75 HydrophobicContact CD2-CZ 4.14Å; Y69-F75 HydrophobicContact CE2-CD2 4.44Å; Y69-F75 HydrophobicContact CE2-CE2 4.5Å; F75-N91 PolarHBondContact O-ND2 2.9Å; F75-N91 PolarHBondContact O-OD1 2.82Å; F75-F109 HydrophobicContact CD2-CE1 4.47Å; F75-F109 HydrophobicContact CE2-CD1 4.1Å; F75-F109 AromaticContact CE2-CE1 3.7Å; F75-F109 HydrophobicContact CE2-CE1 3.7Å; F75-F109 HydrophobicContact CZ-CD1 4.19Å; F75-F109 HydrophobicContact CZ-CE1 4.11Å; F75-V153 HydrophobicContact CD2-CB 3.82Å; F75-V153 HydrophobicContact CD2-CG1 4.3Å; F75-V153 HydrophobicContact CD2-CG2 3.78Å; F75-V153 HydrophobicContact CE2-CB 3.96Å; F75-V153 HydrophobicContact CE2-CG1 3.92Å; F75-V153 HydrophobicContact CE2-CG2 4.17Å; F75-F163 AromaticContact CE2-CE1 3.77Å; F75-F163 HydrophobicContact CE2-CE1 3.77Å; F75-F163 HydrophobicContact CE2-CE2 4.49Å; F75-F163 AromaticContact CE2-CZ 3.57Å; F75-F163 HydrophobicContact CE2-CZ 3.57Å; F75-F163 HydrophobicContact CZ-CD1 4.42Å; F75-F163 AromaticContact CZ-CE1 3.72Å; F75-F163 HydrophobicContact CZ-CE1 3.72Å; F75-F163 HydrophobicContact CZ-CE2 4.21Å; F75-F163 AromaticContact CZ-CZ 3.61Å; F75-F163 HydrophobicContact CZ-CZ 3.61Å; F75-V165 HydrophobicContact CD1-CG1 3.84Å; F75-V165 HydrophobicContact CE1-CB 3.92Å; F75-V165 HydrophobicContact CE1-CG1 3.34Å; F75-V165 HydrophobicContact CZ-CB 3.87Å; F75-V165 HydrophobicContact CZ-CG1 3.79Å
76	I	96	Very high	86.6	Confident	31 Å²	31	79.7 Å²	79.7	16%	0.159	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.5	180	-53.4	-54.2	0	0	0	110.2	F66 E68 K70 K73 T78 N91	F66-I76 WeakPolarHBondContact CA-O 3.47Å; E68-I76 HydrophobicContact CB-CB 4.5Å; E68-I76 HydrophobicContact CB-CG1 4.48Å; E68-I76 PolarHBondContact O-N 3.39Å; K70-I76 HydrophobicContact CB-CD1 4.37Å; K70-I76 HydrophobicContact CD-CD1 3.96Å; K70-I76 HydrophobicContact CD-CG1 4.04Å; K70-I76 HydrophobicContact CG-CD1 4.13Å; K70-I76 HydrophobicContact CG-CG1 4.07Å; K73-I76 HydrophobicContact CB-CD1 3.99Å; K73-I76 HydrophobicContact CD-CD1 4.46Å; I76-T78 HydrophobicContact CG2-CG2 4.37Å; I76-N91 WeakPolarHBondContact CA-OD1 3.4Å
77	L	96.5	Very high	86.5	Confident	9 Å²	9	86.5 Å²	86.5	5%	0.047	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.1	175.2	-65.2	-163.9	0	0	0	110.1	V64 Q65 F66 V88 N91 L151	V64-L77 HydrophobicContact CG1-CB 3.54Å; V64-L77 HydrophobicContact CG1-CD1 4.33Å; V64-L77 HydrophobicContact CG1-CD2 3.88Å; V64-L77 HydrophobicContact CG1-CG 4.09Å; Q65-L77 WeakPolarHBondContact O-CA 3.41Å; F66-L77 HydrophobicContact CB-CD2 3.78Å; F66-L77 HydrophobicContact CD1-CD2 4.2Å; F66-L77 HydrophobicContact CG-CD2 4.31Å; L77-V88 HydrophobicContact CB-CG1 3.84Å; L77-N91 WeakPolarHBondContact CB-OD1 3.22Å; L77-N91 WeakPolarHBondContact CD1-O 3.3Å; L77-N91 PolarHBondContact N-OD1 2.81Å; L77-L151 HydrophobicContact CD2-CB 4.48Å
78	T	94.3	Very high	86.6	Confident	64 Å²	64	84.4 Å²	84.4	39%	0.393	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.7	175.7	57.3	0	0	0	0	110.6	V64 Q65 I76	V64-T78 CarbonylContact C-O 3.53Å; V64-T78 WeakPolarHBondContact CA-O 3.43Å; V64-T78 WeakPolarHBondContact CG1-O 3.48Å; Q65-T78 PolarHBondContact N-O 2.03Å; Q65-T78 PolarHBondContact O-N 3.48Å; Q65-T78 PolarHBondContact O-OG1 2.66Å; I76-T78 HydrophobicContact CG2-CG2 4.37Å
79	S	87.9	Confident	86.6	Confident	50 Å²	50	85.1 Å²	85.1	35%	0.35	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	149.1	169.1	51.1	0	0	0	0	110.3	E84	S79-E84 WeakPolarHBondContact CB-OE2 3.28Å
80	Q	73.7	Confident	86.7	Confident	111 Å²	111	89.1 Å²	89.1	52%	0.519	43%	0.432	S	S	.	.	S	Bend	trans	-84.2	-20	-176.8	-72.1	-169.5	-22.8	0	0	113.7
81	K	69.8	Low	86.9	Confident	138 Å²	138	86.7 Å²	86.7	60%	0.6	42%	0.424	S	S	*	.			trans	-128.8	136.7	-170.6	-57.7	179.6	178.4	-177.6	0	112	D83 E84	K81-D83 PolarHBondContact O-N 2.77Å; K81-E84 HydrophobicContact CB-CG 3.98Å; K81-E84 WeakPolarHBondContact CB-OE1 3.22Å; K81-E84 PolarHBondContact N-OE1 3.4Å
82	E	61.6	Low	87.4	Confident	200 Å²	200	78.7 Å²	78.7	94%	0.935	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.5	173.6	-68.9	177.2	169.5	0	0	112.2	E84	E82-E84 VanDerWaalsContact C-N 3.35Å; E82-E84 PolarHBondContact O-N 3.01Å
83	D	65.7	Low	87.9	Confident	138 Å²	138	69.7 Å²	69.7	74%	0.738	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	17.1	-177.3	-62.2	-35.2	0	0	0	114.2	K81	K81-D83 PolarHBondContact O-N 2.77Å
84	E	73.8	Confident	88.1	Confident	31 Å²	31	63.9 Å²	63.9	15%	0.145	32%	0.323	C	S	.	.			trans	-69.9	132.9	173.9	-87.4	166.4	-148.8	0	0	110.8	I62 S79 K81 E82	I62-E84 WeakPolarHBondContact CG1-OE2 3.44Å; S79-E84 WeakPolarHBondContact CB-OE2 3.28Å; K81-E84 HydrophobicContact CB-CG 3.98Å; K81-E84 WeakPolarHBondContact CB-OE1 3.22Å; K81-E84 PolarHBondContact N-OE1 3.4Å; E82-E84 VanDerWaalsContact C-N 3.35Å; E82-E84 PolarHBondContact O-N 3.01Å
85	I	86	Confident	88.3	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.246	32%	0.317	C	S	.	.	S	Bend	trans	-69.4	-41.7	-176.7	-46.2	170.6	0	0	0	110.3	R58 I59 Q60 N96	R58-I85 VanDerWaalsContact C-CD1 3.49Å; R58-I85 HydrophobicContact CB-CD1 3.48Å; R58-I85 VanDerWaalsContact CB-CD1 3.48Å; R58-I85 VanDerWaalsContact CD-CD1 3.43Å; R58-I85 HydrophobicContact CG-CD1 3.45Å; R58-I85 VanDerWaalsContact CG-CD1 3.45Å; R58-I85 HydrophobicContact CG-CG1 4.39Å; R58-I85 WeakPolarHBondContact O-CD1 3.02Å; I59-I85 VanDerWaalsContact O-CD1 3.31Å; I59-I85 WeakPolarHBondContact O-CD1 3.03Å; Q60-I85 VanDerWaalsContact NE2-CG2 3.25Å; Q60-I85 VanDerWaalsContact OE1-CG2 3.31Å; I85-N96 PolarHBondContact O-ND2 3.34Å
86	M	92.5	Very high	88.2	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.323	C	S	.	.	S	Bend	trans	-85.2	140.3	172.2	-66.3	-177.2	78.3	0	0	108.6	Q60 I62 V93 I95 Y101	Q60-M86 HydrophobicContact CB-CG 4.02Å; Q60-M86 HydrophobicContact CB-SD 3.99Å; I62-M86 HydrophobicContact CB-CB 3.84Å; I62-M86 HydrophobicContact CB-SD 4.21Å; I62-M86 HydrophobicContact CD1-CB 4.02Å; I62-M86 WeakPolarHBondContact CD1-O 3.37Å; I62-M86 HydrophobicContact CG1-CB 4.18Å; I62-M86 HydrophobicContact CG2-SD 4.39Å; M86-V93 HydrophobicContact CE-CG1 3.57Å; M86-I95 HydrophobicContact CE-CD1 3.66Å; M86-Y101 HydrophobicContact CE-CE1 3.95Å; M86-Y101 HydrophobicContact SD-CE1 4.27Å
87	K	93.3	Very high	88.1	Confident	144 Å²	144	62.9 Å²	62.9	63%	0.626	32%	0.316	S	S	*	.			trans	-114.3	147.3	-176.1	-64.2	-178.1	-179.2	175.9	0	111.1	I94	K87-I94 PolarHBondContact O-N 3.48Å
88	V	94.9	Very high	88.1	Confident	39 Å²	39	64.5 Å²	64.5	24%	0.236	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.3	163.2	-177.6	0	0	0	0	108.4	I62 V64 L77 S92 V93	I62-V88 HydrophobicContact CD1-CG2 3.83Å; V64-V88 HydrophobicContact CG1-CG2 4.34Å; V64-V88 HydrophobicContact CG2-CG2 3.66Å; L77-V88 HydrophobicContact CB-CG1 3.84Å; V88-S92 CarbonylContact C-O 3.45Å; V88-S92 VanDerWaalsContact CA-O 3.3Å; V88-S92 WeakPolarHBondContact CA-O 3.36Å; V88-V93 HydrophobicContact CG2-CG2 4.41Å
89	Q	94.5	Very high	88.2	Confident	115 Å²	115	62 Å²	62	54%	0.537	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.1	174.7	-171.5	-178.7	11.2	0	0	109.5	N91 S92 I94	Q89-N91 VanDerWaalsContact C-N 3.26Å; Q89-N91 PolarHBondContact O-N 2.89Å; Q89-S92 PolarHBondContact N-O 3.06Å; Q89-S92 PolarHBondContact O-N 3.2Å; Q89-S92 VanDerWaalsContact O-O 3.09Å; Q89-S92 PolarHBondContact O-OG 2.81Å; Q89-I94 HydrophobicContact CB-CD1 4.08Å; Q89-I94 HydrophobicContact CB-CG1 3.88Å
90	N	94.4	Very high	88.7	Confident	140 Å²	140	64.7 Å²	64.7	75%	0.749	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.6	179.9	-59.9	-29.2	0	0	0	113.6	S92	N90-S92 VanDerWaalsContact C-N 3.28Å; N90-S92 PolarHBondContact O-N 3.19Å
91	N	95.8	Very high	89.8	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.193	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	29.9	-177.4	-151.3	39	0	0	0	114.8	K73 F75 I76 L77 Q89	K73-N91 PolarHBondContact O-ND2 2.82Å; F75-N91 PolarHBondContact O-ND2 2.9Å; F75-N91 PolarHBondContact O-OD1 2.82Å; I76-N91 WeakPolarHBondContact CA-OD1 3.4Å; L77-N91 WeakPolarHBondContact CB-OD1 3.22Å; L77-N91 WeakPolarHBondContact CD1-O 3.3Å; L77-N91 PolarHBondContact N-OD1 2.81Å; Q89-N91 VanDerWaalsContact C-N 3.26Å; Q89-N91 PolarHBondContact O-N 2.89Å
92	S	97.2	Very high	91.2	Very high	7 Å²	7	55.1 Å²	55.1	5%	0.049	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.4	178.1	66.2	0	0	0	0	111.2	V88 Q89 N90 V149	V88-S92 CarbonylContact C-O 3.45Å; V88-S92 VanDerWaalsContact CA-O 3.3Å; V88-S92 WeakPolarHBondContact CA-O 3.36Å; Q89-S92 PolarHBondContact N-O 3.06Å; Q89-S92 PolarHBondContact O-N 3.2Å; Q89-S92 VanDerWaalsContact O-O 3.09Å; Q89-S92 PolarHBondContact O-OG 2.81Å; N90-S92 VanDerWaalsContact C-N 3.28Å; N90-S92 PolarHBondContact O-N 3.19Å; S92-V149 CarbonylContact C-O 3.57Å; S92-V149 WeakPolarHBondContact CA-O 3.49Å
93	V	96.9	Very high	92.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.9	171.4	175.2	0	0	0	0	108.8	I62 V64 M86 V88 K148 V149 L172	I62-V93 HydrophobicContact CD1-CG1 4.3Å; I62-V93 HydrophobicContact CD1-CG2 4.35Å; I62-V93 HydrophobicContact CG2-CG1 3.76Å; I62-V93 HydrophobicContact CG2-CG2 4.09Å; V64-V93 HydrophobicContact CG2-CG2 3.92Å; M86-V93 HydrophobicContact CE-CG1 3.57Å; V88-V93 HydrophobicContact CG2-CG2 4.41Å; V93-K148 CarbonylContact O-C 3.56Å; V93-K148 WeakPolarHBondContact O-CA 3.24Å; V93-V149 HydrophobicContact CB-CB 4.27Å; V93-V149 PolarHBondContact N-O 3.04Å; V93-V149 PolarHBondContact O-N 3.44Å; V93-L172 HydrophobicContact CG1-CD1 4.38Å; V93-L172 HydrophobicContact CG1-CD2 4.17Å; V93-L172 HydrophobicContact CG2-CD1 4.28Å
94	I	96.4	Very high	94.5	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.128	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.7	-179.4	-53.8	-54.1	0	0	0	110.4	K87 Q89 K148	K87-I94 PolarHBondContact O-N 3.48Å; Q89-I94 HydrophobicContact CB-CD1 4.08Å; Q89-I94 HydrophobicContact CB-CG1 3.88Å; I94-K148 HydrophobicContact CD1-CD 4.04Å; I94-K148 HydrophobicContact CD1-CG 3.85Å
95	I	96.7	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.			trans	-87.8	114.6	174.3	-56	-54.5	0	0	0	109.4	M86 C97 Y101 L143 T144 D147 V149 L172	M86-I95 HydrophobicContact CE-CD1 3.66Å; I95-C97 WeakPolarHBondContact CG2-O 3.48Å; I95-Y101 HydrophobicContact CD1-CE1 4.24Å; I95-Y101 HydrophobicContact CG2-CE2 3.93Å; I95-L143 HydrophobicContact CD1-CD1 3.67Å; I95-L143 HydrophobicContact CG1-CB 4.27Å; I95-L143 HydrophobicContact CG1-CD1 3.9Å; I95-L143 HydrophobicContact CG2-CB 4.02Å; I95-T144 WeakPolarHBondContact CG2-O 3.49Å; I95-D147 HydrophobicContact CB-CB 3.98Å; I95-D147 WeakPolarHBondContact CB-O 3.34Å; I95-D147 HydrophobicContact CG1-CB 3.79Å; I95-D147 WeakPolarHBondContact CG1-O 3.48Å; I95-D147 PolarHBondContact N-O 2.96Å; I95-V149 HydrophobicContact CD1-CG2 4.04Å; I95-V149 HydrophobicContact CG1-CG2 4.19Å; I95-L172 HydrophobicContact CD1-CD2 3.94Å
96	N	94.4	Very high	96.2	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.128	20%	0.199	C	C	.	.			trans	-93.9	-22.4	-178.7	-65.8	-28.2	0	0	0	112.9	I85 C181 V182	I85-N96 PolarHBondContact O-ND2 3.34Å; N96-C181 CarbonylContact O-C 3.52Å; N96-C181 VanDerWaalsContact O-CA 3.28Å; N96-C181 WeakPolarHBondContact O-CA 3.33Å; N96-V182 WeakPolarHBondContact CB-O 3.5Å; N96-V182 PolarHBondContact O-N 3.26Å
97	C	94.7	Very high	96.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-130.2	146.4	-173.5	-59.8	0	0	0	0	111.8	Q60 I95 Y101 F180 C181	Q60-C97 HydrophobicContact CG-CB 4.3Å; Q60-C97 WeakPolarHBondContact CG-SG 3.42Å; I95-C97 WeakPolarHBondContact CG2-O 3.48Å; C97-Y101 WeakPolarHBondContact O-CE2 3.49Å; C97-Y101 PolarHBondContact O-OH 3.01Å; C97-F180 CarbonylContact C-O 3.49Å; C97-F180 WeakPolarHBondContact CA-O 3.3Å; C97-C181 HydrophobicContact CB-CB 4.09Å; C97-C181 WeakPolarHBondContact CB-SG 3.4Å; C97-C181 WeakPolarHBondContact SG-CB 3.48Å; C97-C181 CovalentContact SG-SG 2.03Å; C97-C181 PolarHBondContact SG-SG 3.21Å
98	D	95.8	Very high	96.7	Very high	43 Å²	43	39.2 Å²	39.2	23%	0.23	19%	0.194	C	C	.	.			trans	-75	147.4	172.7	-65.2	-2.3	0	0	0	110.2	L143 T144 Y145 H174 E179 F180	D98-L143 WeakPolarHBondContact CA-O 3.43Å; D98-T144 VanDerWaalsContact OD1-CA 3.24Å; D98-T144 WeakPolarHBondContact OD1-CA 3.28Å; D98-Y145 PolarHBondContact OD1-N 3.37Å; D98-H174 PolarHBondContact O-NE2 2.98Å; D98-E179 WeakPolarHBondContact O-CB 2.8Å; D98-F180 HydrophobicContact CB-CB 4.45Å; D98-F180 PolarHBondContact N-O 3.41Å
99	G	96.1	Very high	96.8	Very high	12 Å²	12	38 Å²	38	12%	0.124	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.7	-167.4	169	0	0	0	0	0	113.6	Y101 S142 L143	G99-Y101 WeakPolarHBondContact O-CD2 3.41Å; G99-S142 WeakPolarHBondContact O-CA 3.16Å; G99-L143 PolarHBondContact N-O 3.01Å; G99-L143 PolarHBondContact O-N 3.46Å
100	F	97.9	Very high	96.8	Very high	105 Å²	105	34.5 Å²	34.5	46%	0.461	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137	175.8	-60.6	-65.7	0	0	0	110.7	V140 A141 Q175 N176	F100-V140 HydrophobicContact CB-CG1 3.91Å; F100-V140 HydrophobicContact CD1-CG1 4.2Å; F100-V140 HydrophobicContact CG-CG1 4.35Å; F100-A141 CarbonylContact C-O 3.52Å; F100-A141 WeakPolarHBondContact CA-O 3.49Å; F100-Q175 HydrophobicContact CB-CB 4.29Å; F100-Q175 WeakPolarHBondContact O-CB 3.3Å; F100-Q175 PolarHBondContact O-N 3.42Å; F100-N176 VanDerWaalsContact CB-OD1 3.31Å; F100-N176 WeakPolarHBondContact CB-OD1 2.92Å; F100-N176 VanDerWaalsContact CD2-OD1 3.28Å; F100-N176 WeakPolarHBondContact CD2-OD1 3.42Å; F100-N176 PolarHBondContact N-OD1 3.18Å
101	Y	97.9	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.3	174.9	-77.9	-98.5	0	0	0	109.2	M86 I95 C97 G99 V140 A141 L143 L172 I173 H174	M86-Y101 HydrophobicContact CE-CE1 3.95Å; M86-Y101 HydrophobicContact SD-CE1 4.27Å; I95-Y101 HydrophobicContact CD1-CE1 4.24Å; I95-Y101 HydrophobicContact CG2-CE2 3.93Å; C97-Y101 WeakPolarHBondContact O-CE2 3.49Å; C97-Y101 PolarHBondContact O-OH 3.01Å; G99-Y101 WeakPolarHBondContact O-CD2 3.41Å; Y101-V140 VanDerWaalsContact O-CA 3.29Å; Y101-V140 WeakPolarHBondContact O-CA 3.46Å; Y101-A141 PolarHBondContact N-O 3.45Å; Y101-A141 PolarHBondContact O-N 3.34Å; Y101-L143 HydrophobicContact CD2-CB 3.73Å; Y101-L143 HydrophobicContact CD2-CD1 3.82Å; Y101-L143 HydrophobicContact CD2-CG 3.98Å; Y101-L143 HydrophobicContact CE2-CB 4.01Å; Y101-L143 HydrophobicContact CE2-CD1 4.5Å; Y101-L143 HydrophobicContact CG-CD1 3.87Å; Y101-L143 HydrophobicContact CG-CG 4.43Å; Y101-L172 HydrophobicContact CD1-CB 4.27Å; Y101-I173 WeakPolarHBondContact CA-O 3.29Å; Y101-H174 HydrophobicContact CD1-CB 4.11Å; Y101-H174 HydrophobicContact CE1-CB 3.6Å; Y101-H174 AromaticContact CE2-CD2 3.57Å; Y101-H174 AromaticContact CZ-CD2 3.6Å; Y101-H174 AromaticContact CZ-CG 3.93Å
102	L	98.3	Very high	96.7	Very high	49 Å²	49	31 Å²	31	26%	0.257	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.5	164.1	-177.7	67.9	0	0	0	108	L138 V140 L172 I173 Q175	L102-L138 HydrophobicContact CD1-CD1 3.69Å; L102-L138 HydrophobicContact CD1-CD2 4.15Å; L102-L138 HydrophobicContact CD1-CG 3.81Å; L102-L138 HydrophobicContact CD2-CD1 4.37Å; L102-L138 HydrophobicContact CG-CD1 3.95Å; L102-V140 HydrophobicContact CD1-CG2 3.93Å; L102-L172 CarbonylContact O-C 3.56Å; L102-L172 WeakPolarHBondContact O-CA 3.49Å; L102-I173 HydrophobicContact CB-CB 4.42Å; L102-I173 PolarHBondContact N-O 3.04Å; L102-I173 PolarHBondContact O-N 3.47Å; L102-Q175 HydrophobicContact CB-CG 4.3Å
103	I	98.4	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.2	-175.5	-53.3	176.7	0	0	0	109.1	L117 L126 L138 M139 A141 L143 L170 I171 L172	I103-L117 HydrophobicContact CG2-CD2 3.61Å; I103-L126 HydrophobicContact CD1-CD1 3.67Å; I103-L138 CarbonylContact O-C 3.58Å; I103-L138 WeakPolarHBondContact O-CA 3.41Å; I103-M139 HydrophobicContact CB-CG 3.8Å; I103-M139 HydrophobicContact CG2-CG 4.41Å; I103-M139 PolarHBondContact N-O 2.8Å; I103-M139 PolarHBondContact O-N 2.92Å; I103-A141 HydrophobicContact CD1-CB 3.93Å; I103-L143 HydrophobicContact CD1-CD1 4.35Å; I103-L170 HydrophobicContact CG2-CD1 3.83Å; I103-I171 CarbonylContact C-O 3.6Å; I103-I171 VanDerWaalsContact CA-O 3.3Å; I103-I171 WeakPolarHBondContact CA-O 3.03Å; I103-L172 HydrophobicContact CG1-CG 4.2Å; I103-L172 HydrophobicContact CG2-CG 4.45Å
104	S	98.1	Very high	96.7	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.119	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.1	175	169	0	0	0	0	109.8	S137 L170 I171	S104-S137 WeakPolarHBondContact CA-O 3.36Å; S104-L170 CarbonylContact O-C 3.54Å; S104-L170 WeakPolarHBondContact O-CA 3.4Å; S104-I171 PolarHBondContact N-O 2.65Å; S104-I171 PolarHBondContact O-N 2.96Å
105	L	98.2	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	177.2	178.9	62.2	0	0	0	110.2	F66 I115 F127 V135 N136 S137 L151 E169 L170	F66-L105 HydrophobicContact CE1-CD1 3.7Å; F66-L105 HydrophobicContact CZ-CD1 3.73Å; L105-I115 HydrophobicContact CD2-CG2 4.08Å; L105-F127 HydrophobicContact CD2-CD1 4.33Å; L105-F127 HydrophobicContact CD2-CE1 4.21Å; L105-V135 HydrophobicContact CB-CG2 4.5Å; L105-V135 HydrophobicContact CD2-CG1 4.24Å; L105-V135 HydrophobicContact CD2-CG2 4Å; L105-V135 HydrophobicContact CG-CG1 3.87Å; L105-V135 HydrophobicContact CG-CG2 4.04Å; L105-N136 WeakPolarHBondContact O-CA 3.21Å; L105-S137 PolarHBondContact N-O 3.18Å; L105-S137 PolarHBondContact O-N 2.77Å; L105-L151 HydrophobicContact CD1-CD1 4.09Å; L105-L151 HydrophobicContact CD2-CD1 3.94Å; L105-E169 WeakPolarHBondContact CA-O 3.37Å; L105-L170 HydrophobicContact CD1-CB 4.39Å; L105-L170 HydrophobicContact CD1-CD1 4.38Å
106	K	97.9	Very high	96.8	Very high	78 Å²	78	32.2 Å²	32.2	34%	0.339	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.2	178.7	-67	177.1	-176.1	169.4	0	111.4	F66 V135 N136 G167 G168 E169	F66-K106 VanDerWaalsContact CZ-O 3.24Å; F66-K106 WeakPolarHBondContact CZ-O 3.31Å; K106-V135 CarbonylContact C-O 3.51Å; K106-V135 VanDerWaalsContact CA-O 3.26Å; K106-V135 WeakPolarHBondContact CA-O 3.31Å; K106-N136 WeakPolarHBondContact CE-OD1 3.47Å; K106-G167 CarbonylContact C-O 3.54Å; K106-G168 WeakPolarHBondContact O-CA 3.09Å; K106-E169 HydrophobicContact CB-CB 4.38Å; K106-E169 PolarHBondContact N-O 2.79Å; K106-E169 PolarHBondContact O-N 3.5Å
107	G	98	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	145.6	172.2	0	0	0	0	0	112.3	S134 V135	G107-S134 CarbonylContact O-C 3.53Å; G107-S134 WeakPolarHBondContact O-CA 3.39Å; G107-S134 WeakPolarHBondContact O-CB 3.38Å; G107-V135 PolarHBondContact N-O 2.88Å; G107-V135 PolarHBondContact O-N 3.38Å
108	Y	97.9	Very high	97.2	Very high	132 Å²	132	32.2 Å²	32.2	52%	0.518	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.5	176.6	-59.8	-93.6	0	0	0	108.7	V165 N166	Y108-V165 CarbonylContact O-C 3.59Å; Y108-V165 WeakPolarHBondContact O-CA 3.17Å; Y108-N166 PolarHBondContact N-O 2.9Å; Y108-N166 PolarHBondContact O-N 3.17Å
109	F	96.7	Very high	97.3	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.057	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.7	-173.3	-56.7	-89.6	0	0	0	110.4	F66 F75 Q111 V113 I115 R133 V135 V153 F163 V165	F66-F109 HydrophobicContact CE2-CZ 4.44Å; F75-F109 HydrophobicContact CD2-CE1 4.47Å; F75-F109 HydrophobicContact CE2-CD1 4.1Å; F75-F109 AromaticContact CE2-CE1 3.7Å; F75-F109 HydrophobicContact CE2-CE1 3.7Å; F75-F109 HydrophobicContact CZ-CD1 4.19Å; F75-F109 HydrophobicContact CZ-CE1 4.11Å; F109-Q111 WeakPolarHBondContact CB-O 3.36Å; F109-Q111 PolarHBondContact O-N 2.89Å; F109-V113 HydrophobicContact CB-CG1 4.25Å; F109-V113 HydrophobicContact CB-CG2 4.21Å; F109-V113 HydrophobicContact CD1-CG1 4.11Å; F109-V113 HydrophobicContact CD1-CG2 4.05Å; F109-V113 HydrophobicContact CD2-CG2 3.63Å; F109-V113 HydrophobicContact CE1-CG2 4.36Å; F109-V113 HydrophobicContact CE2-CG2 4.01Å; F109-V113 HydrophobicContact CG-CG1 4.17Å; F109-V113 HydrophobicContact CG-CG2 3.67Å; F109-V113 HydrophobicContact CZ-CG2 4.34Å; F109-I115 HydrophobicContact CD2-CD1 4.07Å; F109-I115 HydrophobicContact CE2-CD1 3.23Å; F109-I115 HydrophobicContact CE2-CG1 4.19Å; F109-I115 HydrophobicContact CZ-CD1 3.61Å; F109-I115 HydrophobicContact CZ-CG1 4.15Å; F109-R133 PolarHBondContact N-O 2.88Å; F109-V135 HydrophobicContact CE2-CG1 4.05Å; F109-V153 HydrophobicContact CD1-CG1 4.47Å; F109-V153 HydrophobicContact CE1-CG1 3.99Å; F109-V153 HydrophobicContact CE1-CG2 4.4Å; F109-F163 HydrophobicContact CD1-CE2 4.31Å; F109-F163 HydrophobicContact CD1-CZ 4.47Å; F109-V165 HydrophobicContact CD1-CB 3.9Å; F109-V165 HydrophobicContact CD1-CG2 3.82Å; F109-V165 HydrophobicContact CE1-CB 3.99Å; F109-V165 HydrophobicContact CE1-CG2 3.69Å; F109-V165 HydrophobicContact CE2-CG2 4.46Å; F109-V165 HydrophobicContact CG-CG2 4.29Å; F109-V165 HydrophobicContact CZ-CG2 4.04Å
110	S	94.8	Very high	97.3	Very high	42 Å²	42	35.7 Å²	35.7	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	-23.9	172.3	46.2	0	0	0	0	113.9	D162 H164	S110-D162 WeakPolarHBondContact CB-O 3.15Å; S110-D162 PolarHBondContact OG-O 2.85Å; S110-H164 VanDerWaalsContact CB-CE1 3.48Å; S110-H164 WeakPolarHBondContact CB-CE1 3.21Å; S110-H164 PolarHBondContact N-O 2.9Å; S110-H164 PolarHBondContact OG-N 2.85Å; S110-H164 PolarHBondContact OG-O 2.83Å
111	Q	93.9	Very high	96.9	Very high	23 Å²	23	38.8 Å²	38.8	11%	0.107	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	176.3	-177.9	65.7	-167.2	6.5	0	0	112.6	F109 T155 N157 F163	F109-Q111 WeakPolarHBondContact CB-O 3.36Å; F109-Q111 PolarHBondContact O-N 2.89Å; Q111-T155 VanDerWaalsContact NE2-CG2 3.29Å; Q111-T155 PolarHBondContact NE2-OG1 2.94Å; Q111-T155 VanDerWaalsContact NE2-OG1 3.17Å; Q111-N157 VanDerWaalsContact CB-ND2 3.33Å; Q111-N157 WeakPolarHBondContact CB-ND2 3.32Å; Q111-N157 VanDerWaalsContact CD-ND2 3.29Å; Q111-N157 PolarHBondContact OE1-ND2 2.81Å; Q111-F163 HydrophobicContact CG-CD2 3.61Å; Q111-F163 HydrophobicContact CG-CE2 3.86Å
112	E	95.8	Very high	96.6	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133	178.6	-171.6	169.9	115.7	0	0	111.2	K131 V132 T155	E112-K131 VanDerWaalsContact CG-CA 3.45Å; E112-K131 HydrophobicContact CG-CB 3.98Å; E112-K131 HydrophobicContact CG-CG 4.49Å; E112-K131 WeakPolarHBondContact OE1-CB 3.34Å; E112-K131 WeakPolarHBondContact OE1-CD 3.48Å; E112-K131 WeakPolarHBondContact OE1-CG 3.35Å; E112-V132 WeakPolarHBondContact CA-O 3.38Å; E112-T155 PolarHBondContact O-OG1 3.45Å
113	V	96.6	Very high	96.4	Very high	2 Å²	2	49 Å²	49	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.8	-175.9	-64.2	0	0	0	0	111.9	F109 I115 K131 V132 V153 T154 F163	F109-V113 HydrophobicContact CB-CG1 4.25Å; F109-V113 HydrophobicContact CB-CG2 4.21Å; F109-V113 HydrophobicContact CD1-CG1 4.11Å; F109-V113 HydrophobicContact CD1-CG2 4.05Å; F109-V113 HydrophobicContact CD2-CG2 3.63Å; F109-V113 HydrophobicContact CE1-CG2 4.36Å; F109-V113 HydrophobicContact CE2-CG2 4.01Å; F109-V113 HydrophobicContact CG-CG1 4.17Å; F109-V113 HydrophobicContact CG-CG2 3.67Å; F109-V113 HydrophobicContact CZ-CG2 4.34Å; V113-I115 HydrophobicContact CB-CG1 4.39Å; V113-I115 HydrophobicContact CG2-CD1 3.75Å; V113-I115 HydrophobicContact CG2-CG1 3.58Å; V113-K131 PolarHBondContact O-N 2.91Å; V113-K131 VanDerWaalsContact O-N 3.13Å; V113-V132 HydrophobicContact CG2-CG2 4.28Å; V113-V132 VanDerWaalsContact CG2-O 3.28Å; V113-V132 WeakPolarHBondContact CG2-O 3.39Å; V113-V132 PolarHBondContact N-O 2.85Å; V113-V132 PolarHBondContact O-N 2.79Å; V113-V153 HydrophobicContact CB-CG1 3.71Å; V113-V153 HydrophobicContact CG1-CG1 3.81Å; V113-V153 HydrophobicContact CG2-CG1 4.12Å; V113-T154 CarbonylContact C-O 3.57Å; V113-T154 VanDerWaalsContact CA-O 3.3Å; V113-T154 WeakPolarHBondContact CA-O 3.4Å; V113-F163 HydrophobicContact CG1-CE2 3.68Å; V113-F163 HydrophobicContact CG1-CZ 3.79Å
114	N	97.1	Very high	96.4	Very high	41 Å²	41	56.2 Å²	56.2	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.1	159.8	-54.4	-44.8	0	0	0	107.8	L129 K130 K131 V153 T154	N114-L129 CarbonylContact C-O 3.59Å; N114-L129 WeakPolarHBondContact CA-O 3.23Å; N114-K130 VanDerWaalsContact OD1-CA 3.23Å; N114-K130 WeakPolarHBondContact OD1-CA 3.38Å; N114-K131 PolarHBondContact OD1-N 3.26Å; N114-V153 WeakPolarHBondContact O-CA 3.33Å; N114-T154 PolarHBondContact N-O 2.91Å; N114-T154 PolarHBondContact O-N 2.85Å
115	I	97.3	Very high	96.3	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.5	-175.4	-54.4	167.1	0	0	0	107.4	L105 F109 V113 Q128 L129 V132 V135 L151 N152 V153	L105-I115 HydrophobicContact CD2-CG2 4.08Å; F109-I115 HydrophobicContact CD2-CD1 4.07Å; F109-I115 HydrophobicContact CE2-CD1 3.23Å; F109-I115 HydrophobicContact CE2-CG1 4.19Å; F109-I115 HydrophobicContact CZ-CD1 3.61Å; F109-I115 HydrophobicContact CZ-CG1 4.15Å; V113-I115 HydrophobicContact CB-CG1 4.39Å; V113-I115 HydrophobicContact CG2-CD1 3.75Å; V113-I115 HydrophobicContact CG2-CG1 3.58Å; I115-Q128 CarbonylContact O-C 3.58Å; I115-Q128 WeakPolarHBondContact O-CA 3.19Å; I115-L129 PolarHBondContact N-O 2.85Å; I115-L129 PolarHBondContact O-N 2.87Å; I115-V132 HydrophobicContact CD1-CG2 3.66Å; I115-V132 HydrophobicContact CG1-CG2 4.24Å; I115-V135 HydrophobicContact CD1-CB 3.93Å; I115-V135 HydrophobicContact CD1-CG1 4Å; I115-L151 HydrophobicContact CG2-CD1 3.86Å; I115-N152 CarbonylContact C-O 3.58Å; I115-N152 WeakPolarHBondContact CA-O 3.26Å; I115-V153 HydrophobicContact CG1-CG1 4.28Å; I115-V153 HydrophobicContact CG1-CG2 4.43Å; I115-V153 HydrophobicContact CG2-CG2 4.34Å
116	S	97.5	Very high	96.3	Very high	13 Å²	13	59.1 Å²	59.1	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.9	169.3	51.9	0	0	0	0	111.2	H118 F127 N152	S116-H118 VanDerWaalsContact CB-NE2 3.33Å; S116-H118 WeakPolarHBondContact CB-NE2 3.3Å; S116-H118 PolarHBondContact OG-NE2 3Å; S116-F127 CarbonylContact C-O 3.38Å; S116-F127 WeakPolarHBondContact CA-O 3.3Å; S116-N152 PolarHBondContact N-O 2.74Å; S116-N152 PolarHBondContact O-N 2.98Å
117	L	98.2	Very high	96.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.9	175.7	-167.1	74.4	0	0	0	108.4	I103 P125 L126 F127 V149 L151 L170	I103-L117 HydrophobicContact CG2-CD2 3.61Å; L117-P125 CarbonylContact O-C 3.59Å; L117-P125 WeakPolarHBondContact O-CA 3.03Å; L117-P125 WeakPolarHBondContact O-CB 3.37Å; L117-L126 HydrophobicContact CD2-CD1 4.36Å; L117-L126 PolarHBondContact O-N 2.86Å; L117-F127 HydrophobicContact CB-CB 4.35Å; L117-F127 PolarHBondContact N-O 2.98Å; L117-F127 PolarHBondContact O-N 2.84Å; L117-V149 HydrophobicContact CD1-CG1 3.85Å; L117-V149 HydrophobicContact CD2-CG1 4.14Å; L117-V149 HydrophobicContact CG-CG1 3.95Å; L117-L151 HydrophobicContact CD1-CB 4.46Å; L117-L151 HydrophobicContact CD1-CD1 4.08Å; L117-L170 HydrophobicContact CD1-CD1 4.19Å; L117-L170 HydrophobicContact CD1-CD2 4.05Å; L117-L170 HydrophobicContact CD2-CD1 4.23Å
118	H	98.2	Very high	96.1	Very high	25 Å²	25	61.8 Å²	61.8	12%	0.116	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	158.8	-172.8	-66.9	-108.1	0	0	0	110.1	S116 V149 Y150	S116-H118 VanDerWaalsContact CB-NE2 3.33Å; S116-H118 WeakPolarHBondContact CB-NE2 3.3Å; S116-H118 PolarHBondContact OG-NE2 3Å; H118-V149 CarbonylContact O-C 3.5Å; H118-V149 WeakPolarHBondContact O-CA 3.34Å; H118-Y150 HydrophobicContact CB-CD1 3.92Å; H118-Y150 HydrophobicContact CB-CD2 3.94Å; H118-Y150 HydrophobicContact CB-CE1 3.4Å; H118-Y150 VanDerWaalsContact CB-CE1 3.4Å; H118-Y150 HydrophobicContact CB-CE2 3.41Å; H118-Y150 VanDerWaalsContact CB-CE2 3.41Å; H118-Y150 HydrophobicContact CB-CG 4.17Å; H118-Y150 WeakPolarHBondContact CB-OH 3.36Å; H118-Y150 AromaticContact CD2-CE2 3.74Å; H118-Y150 AromaticContact CG-CE2 3.51Å; H118-Y150 AromaticContact CG-CZ 3.49Å; H118-Y150 VanDerWaalsContact CG-CZ 3.49Å; H118-Y150 PolarHBondContact N-O 3.01Å; H118-Y150 AromaticContact ND1-CZ 3.94Å; H118-Y150 PolarHBondContact ND1-OH 2.94Å; H118-Y150 PolarHBondContact O-N 3.24Å
119	Y	97.9	Very high	96.1	Very high	50 Å²	50	58 Å²	58	20%	0.196	28%	0.284	C	S	.	.	S	Bend	trans	-124.5	-25.7	175.5	67.8	-78.5	0	0	0	113.1	E123 E124 L126 L143 K148	Y119-E123 HydrophobicContact CE1-CB 4.05Å; Y119-E123 HydrophobicContact CE2-CB 4.44Å; Y119-E123 HydrophobicContact CE2-CG 4.37Å; Y119-E124 WeakPolarHBondContact CE1-O 3.38Å; Y119-L126 HydrophobicContact CD1-CD2 3.41Å; Y119-L126 VanDerWaalsContact CD1-CD2 3.41Å; Y119-L126 HydrophobicContact CD1-CG 3.71Å; Y119-L126 HydrophobicContact CE1-CD2 3.89Å; Y119-L126 HydrophobicContact CG-CD2 4.1Å; Y119-L126 HydrophobicContact CG-CG 4.38Å; Y119-L143 HydrophobicContact CD2-CD2 4.38Å; Y119-L143 HydrophobicContact CG-CD2 4.16Å; Y119-K148 CarbonylContact C-O 3.59Å; Y119-K148 WeakPolarHBondContact CA-O 3.32Å; Y119-K148 CarbonylContact O-C 3.57Å; Y119-K148 PolarHBondContact O-N 2.9Å; Y119-K148 VanDerWaalsContact O-O 3.05Å
120	Q	95.9	Very high	96.1	Very high	78 Å²	78	64.2 Å²	64.2	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-136.9	157.1	171.1	-73.4	-175	22.7	0	0	109.9	E123 D147 Y150	Q120-E123 HydrophobicContact CB-CB 4.12Å; Q120-E123 HydrophobicContact CB-CG 3.82Å; Q120-D147 WeakPolarHBondContact CG-OD1 3.33Å; Q120-D147 PolarHBondContact NE2-OD1 2.84Å; Q120-Y150 PolarHBondContact O-OH 3.13Å
121	K	89.8	Confident	96.1	Very high	170 Å²	170	68.8 Å²	68.8	74%	0.739	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	139.6	168.3	-67.1	-173.9	176.4	-172.5	0	107.7	E123	K121-E123 PolarHBondContact O-N 3.09Å
122	D	91.4	Very high	96.3	Very high	168 Å²	168	69.2 Å²	69.2	90%	0.898	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	0.9	177.4	-43.5	-50.5	0	0	0	116.1
123	E	95.7	Very high	96.4	Very high	95 Å²	95	73.2 Å²	73.2	44%	0.444	34%	0.341	S	S	.	.	S	Bend	trans	-94.9	160.8	169.9	-70.7	-64.1	159.3	0	0	111.7	Y119 Q120 K121	Y119-E123 HydrophobicContact CE1-CB 4.05Å; Y119-E123 HydrophobicContact CE2-CB 4.44Å; Y119-E123 HydrophobicContact CE2-CG 4.37Å; Q120-E123 HydrophobicContact CB-CB 4.12Å; Q120-E123 HydrophobicContact CB-CG 3.82Å; K121-E123 PolarHBondContact O-N 3.09Å
124	E	96.7	Very high	96.4	Very high	151 Å²	151	75.9 Å²	75.9	71%	0.706	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-63.2	141.3	173.3	-70.5	-63.3	138.8	0	0	110.7	Y119	Y119-E124 WeakPolarHBondContact CE1-O 3.38Å
125	P	97.6	Very high	96.5	Very high	30 Å²	30	74.1 Å²	74.1	20%	0.195	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.9	146	179.5	27.8	-34.1	0	0	0	111	L117 F127 Q128	L117-P125 CarbonylContact O-C 3.59Å; L117-P125 WeakPolarHBondContact O-CA 3.03Å; L117-P125 WeakPolarHBondContact O-CB 3.37Å; P125-F127 PolarHBondContact O-N 2.89Å; P125-Q128 HydrophobicContact CG-CB 4.11Å
126	L	97.5	Very high	96.5	Very high	48 Å²	48	79.2 Å²	79.2	25%	0.251	38%	0.378	S	S	.	.	S	Bend	trans	-57.6	-31.2	170.5	-62.1	179.9	0	0	0	111.7	I103 L117 Y119 M139 A141 L143	I103-L126 HydrophobicContact CD1-CD1 3.67Å; L117-L126 HydrophobicContact CD2-CD1 4.36Å; L117-L126 PolarHBondContact O-N 2.86Å; Y119-L126 HydrophobicContact CD1-CD2 3.41Å; Y119-L126 VanDerWaalsContact CD1-CD2 3.41Å; Y119-L126 HydrophobicContact CD1-CG 3.71Å; Y119-L126 HydrophobicContact CE1-CD2 3.89Å; Y119-L126 HydrophobicContact CG-CD2 4.1Å; Y119-L126 HydrophobicContact CG-CG 4.38Å; L126-M139 HydrophobicContact CB-SD 4.16Å; L126-A141 HydrophobicContact CD1-CB 4.14Å; L126-A141 HydrophobicContact CD2-CB 3.76Å; L126-L143 HydrophobicContact CD1-CD2 4.25Å; L126-L143 HydrophobicContact CD2-CD2 4.38Å
127	F	94.2	Very high	96.5	Very high	36 Å²	36	80 Å²	80	16%	0.158	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	142.1	-176.7	170	-97.3	0	0	0	110.6	L105 S116 L117 P125 L129 V135 S137 M139	L105-F127 HydrophobicContact CD2-CD1 4.33Å; L105-F127 HydrophobicContact CD2-CE1 4.21Å; S116-F127 CarbonylContact C-O 3.38Å; S116-F127 WeakPolarHBondContact CA-O 3.3Å; L117-F127 HydrophobicContact CB-CB 4.35Å; L117-F127 PolarHBondContact N-O 2.98Å; L117-F127 PolarHBondContact O-N 2.84Å; P125-F127 PolarHBondContact O-N 2.89Å; F127-L129 HydrophobicContact CE1-CB 4.42Å; F127-L129 HydrophobicContact CE1-CD1 3.77Å; F127-L129 HydrophobicContact CE1-CG 3.67Å; F127-L129 HydrophobicContact CE2-CD1 4.19Å; F127-L129 HydrophobicContact CE2-CD2 4.29Å; F127-L129 HydrophobicContact CE2-CG 3.94Å; F127-L129 HydrophobicContact CZ-CB 4.45Å; F127-L129 HydrophobicContact CZ-CD1 3.25Å; F127-L129 HydrophobicContact CZ-CD2 4.08Å; F127-L129 HydrophobicContact CZ-CG 3.28Å; F127-V135 HydrophobicContact CE1-CG2 3.78Å; F127-V135 HydrophobicContact CZ-CG2 3.78Å; F127-S137 WeakPolarHBondContact CZ-OG 3.36Å; F127-M139 HydrophobicContact CB-CE 3.37Å; F127-M139 HydrophobicContact CB-SD 3.81Å; F127-M139 HydrophobicContact CD1-CE 4.33Å; F127-M139 HydrophobicContact CD2-CE 3.72Å; F127-M139 HydrophobicContact CE2-CE 4.48Å; F127-M139 HydrophobicContact CG-CE 3.58Å
128	Q	97.2	Very high	96.5	Very high	98 Å²	98	85.8 Å²	85.8	46%	0.458	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	132.8	175.9	-173.4	174.8	9	0	0	111	I115 P125 K130	I115-Q128 CarbonylContact O-C 3.58Å; I115-Q128 WeakPolarHBondContact O-CA 3.19Å; P125-Q128 HydrophobicContact CG-CB 4.11Å; Q128-K130 VanDerWaalsContact NE2-CE 3.34Å
129	L	97.7	Very high	96.5	Very high	52 Å²	52	86.1 Å²	86.1	27%	0.272	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.6	167.8	-69.4	178.2	0	0	0	109.6	N114 I115 F127 V132 V135	N114-L129 CarbonylContact C-O 3.59Å; N114-L129 WeakPolarHBondContact CA-O 3.23Å; I115-L129 PolarHBondContact N-O 2.85Å; I115-L129 PolarHBondContact O-N 2.87Å; F127-L129 HydrophobicContact CE1-CB 4.42Å; F127-L129 HydrophobicContact CE1-CD1 3.77Å; F127-L129 HydrophobicContact CE1-CG 3.67Å; F127-L129 HydrophobicContact CE2-CD1 4.19Å; F127-L129 HydrophobicContact CE2-CD2 4.29Å; F127-L129 HydrophobicContact CE2-CG 3.94Å; F127-L129 HydrophobicContact CZ-CB 4.45Å; F127-L129 HydrophobicContact CZ-CD1 3.25Å; F127-L129 HydrophobicContact CZ-CD2 4.08Å; F127-L129 HydrophobicContact CZ-CG 3.28Å; L129-V132 HydrophobicContact CB-CG1 4.02Å; L129-V132 HydrophobicContact CB-CG2 3.9Å; L129-V132 HydrophobicContact CD1-CG1 4.25Å; L129-V132 HydrophobicContact CD1-CG2 4.25Å; L129-V135 HydrophobicContact CD1-CB 4.43Å; L129-V135 HydrophobicContact CD1-CG2 4.08Å
130	K	96.9	Very high	96.5	Very high	144 Å²	144	88.1 Å²	88.1	63%	0.626	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.4	176.5	-64.3	-179.2	-178.9	177.3	0	109.2	N114 Q128 V132	N114-K130 VanDerWaalsContact OD1-CA 3.23Å; N114-K130 WeakPolarHBondContact OD1-CA 3.38Å; Q128-K130 VanDerWaalsContact NE2-CE 3.34Å; K130-V132 PolarHBondContact O-N 2.84Å
131	K	96	Very high	96.6	Very high	139 Å²	139	85 Å²	85	60%	0.604	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.7	50.1	173.3	-60.4	-166.2	173.1	-168	0	114.1	E112 V113 N114	E112-K131 VanDerWaalsContact CG-CA 3.45Å; E112-K131 HydrophobicContact CG-CB 3.98Å; E112-K131 HydrophobicContact CG-CG 4.49Å; E112-K131 WeakPolarHBondContact OE1-CB 3.34Å; E112-K131 WeakPolarHBondContact OE1-CD 3.48Å; E112-K131 WeakPolarHBondContact OE1-CG 3.35Å; V113-K131 PolarHBondContact O-N 2.91Å; V113-K131 VanDerWaalsContact O-N 3.13Å; N114-K131 PolarHBondContact OD1-N 3.26Å
132	V	97.3	Very high	97	Very high	31 Å²	31	80.7 Å²	80.7	19%	0.188	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	154	179.2	-63.4	0	0	0	0	111.5	E112 V113 I115 L129 K130	E112-V132 WeakPolarHBondContact CA-O 3.38Å; V113-V132 HydrophobicContact CG2-CG2 4.28Å; V113-V132 VanDerWaalsContact CG2-O 3.28Å; V113-V132 WeakPolarHBondContact CG2-O 3.39Å; V113-V132 PolarHBondContact N-O 2.85Å; V113-V132 PolarHBondContact O-N 2.79Å; I115-V132 HydrophobicContact CD1-CG2 3.66Å; I115-V132 HydrophobicContact CG1-CG2 4.24Å; L129-V132 HydrophobicContact CB-CG1 4.02Å; L129-V132 HydrophobicContact CB-CG2 3.9Å; L129-V132 HydrophobicContact CD1-CG1 4.25Å; L129-V132 HydrophobicContact CD1-CG2 4.25Å; K130-V132 PolarHBondContact O-N 2.84Å
133	R	96.9	Very high	97.3	Very high	165 Å²	165	72.7 Å²	72.7	62%	0.623	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	-7	170.9	-68.5	-168.7	176.9	-154.7	-0.8	113.3	F109	F109-R133 PolarHBondContact N-O 2.88Å
134	S	97.8	Very high	97.3	Very high	57 Å²	57	71 Å²	71	40%	0.399	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.5	176.4	60.2	0	0	0	0	111	G107	G107-S134 CarbonylContact O-C 3.53Å; G107-S134 WeakPolarHBondContact O-CA 3.39Å; G107-S134 WeakPolarHBondContact O-CB 3.38Å
135	V	98.1	Very high	97.3	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.7	170.4	62.4	0	0	0	0	108.3	L105 K106 G107 F109 I115 F127 L129	L105-V135 HydrophobicContact CB-CG2 4.5Å; L105-V135 HydrophobicContact CD2-CG1 4.24Å; L105-V135 HydrophobicContact CD2-CG2 4Å; L105-V135 HydrophobicContact CG-CG1 3.87Å; L105-V135 HydrophobicContact CG-CG2 4.04Å; K106-V135 CarbonylContact C-O 3.51Å; K106-V135 VanDerWaalsContact CA-O 3.26Å; K106-V135 WeakPolarHBondContact CA-O 3.31Å; G107-V135 PolarHBondContact N-O 2.88Å; G107-V135 PolarHBondContact O-N 3.38Å; F109-V135 HydrophobicContact CE2-CG1 4.05Å; I115-V135 HydrophobicContact CD1-CB 3.93Å; I115-V135 HydrophobicContact CD1-CG1 4Å; F127-V135 HydrophobicContact CE1-CG2 3.78Å; F127-V135 HydrophobicContact CZ-CG2 3.78Å; L129-V135 HydrophobicContact CD1-CB 4.43Å; L129-V135 HydrophobicContact CD1-CG2 4.08Å
136	N	98	Very high	97.2	Very high	109 Å²	109	73.8 Å²	73.8	58%	0.583	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	91.3	168.5	-179.1	15	0	0	0	106.3	L105 K106	L105-N136 WeakPolarHBondContact O-CA 3.21Å; K106-N136 WeakPolarHBondContact CE-OD1 3.47Å
137	S	97.7	Very high	97.2	Very high	30 Å²	30	71.7 Å²	71.7	21%	0.21	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.2	-170.5	-60.5	0	0	0	0	110.5	S104 L105 F127	S104-S137 WeakPolarHBondContact CA-O 3.36Å; L105-S137 PolarHBondContact N-O 3.18Å; L105-S137 PolarHBondContact O-N 2.77Å; F127-S137 WeakPolarHBondContact CZ-OG 3.36Å
138	L	98.3	Very high	97.4	Very high	121 Å²	121	74.6 Å²	74.6	63%	0.634	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.1	175.5	-169.9	70.8	0	0	0	107.6	L102 I103	L102-L138 HydrophobicContact CD1-CD1 3.69Å; L102-L138 HydrophobicContact CD1-CD2 4.15Å; L102-L138 HydrophobicContact CD1-CG 3.81Å; L102-L138 HydrophobicContact CD2-CD1 4.37Å; L102-L138 HydrophobicContact CG-CD1 3.95Å; I103-L138 CarbonylContact O-C 3.58Å; I103-L138 WeakPolarHBondContact O-CA 3.41Å
139	M	98	Very high	97.4	Very high	32 Å²	32	70 Å²	70	16%	0.158	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.3	180	70	-167.2	72.9	0	0	110.8	I103 L126 F127	I103-M139 HydrophobicContact CB-CG 3.8Å; I103-M139 HydrophobicContact CG2-CG 4.41Å; I103-M139 PolarHBondContact N-O 2.8Å; I103-M139 PolarHBondContact O-N 2.92Å; L126-M139 HydrophobicContact CB-SD 4.16Å; F127-M139 HydrophobicContact CB-CE 3.37Å; F127-M139 HydrophobicContact CB-SD 3.81Å; F127-M139 HydrophobicContact CD1-CE 4.33Å; F127-M139 HydrophobicContact CD2-CE 3.72Å; F127-M139 HydrophobicContact CE2-CE 4.48Å; F127-M139 HydrophobicContact CG-CE 3.58Å
140	V	98.2	Very high	97.4	Very high	93 Å²	93	70.2 Å²	70.2	56%	0.564	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.8	169.9	178.8	0	0	0	0	108.2	F100 Y101 L102	F100-V140 HydrophobicContact CB-CG1 3.91Å; F100-V140 HydrophobicContact CD1-CG1 4.2Å; F100-V140 HydrophobicContact CG-CG1 4.35Å; Y101-V140 VanDerWaalsContact O-CA 3.29Å; Y101-V140 WeakPolarHBondContact O-CA 3.46Å; L102-V140 HydrophobicContact CD1-CG2 3.93Å
141	A	98.1	Very high	97.4	Very high	12 Å²	12	63.9 Å²	63.9	10%	0.099	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.5	175.8	0	0	0	0	0	110.1	F100 Y101 I103 L126 L143	F100-A141 CarbonylContact C-O 3.52Å; F100-A141 WeakPolarHBondContact CA-O 3.49Å; Y101-A141 PolarHBondContact N-O 3.45Å; Y101-A141 PolarHBondContact O-N 3.34Å; I103-A141 HydrophobicContact CD1-CB 3.93Å; L126-A141 HydrophobicContact CD1-CB 4.14Å; L126-A141 HydrophobicContact CD2-CB 3.76Å; A141-L143 HydrophobicContact CB-CD2 4.17Å; A141-L143 HydrophobicContact CB-CG 4.33Å
142	S	97.4	Very high	97.4	Very high	79 Å²	79	60.6 Å²	60.6	55%	0.552	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.7	166.3	-175.1	0	0	0	0	107.7	G99	G99-S142 WeakPolarHBondContact O-CA 3.16Å
143	L	97.8	Very high	97.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.7	178	-54.9	177.2	0	0	0	109.2	I95 D98 G99 Y101 I103 Y119 L126 A141 D147 V149 L172	I95-L143 HydrophobicContact CD1-CD1 3.67Å; I95-L143 HydrophobicContact CG1-CB 4.27Å; I95-L143 HydrophobicContact CG1-CD1 3.9Å; I95-L143 HydrophobicContact CG2-CB 4.02Å; D98-L143 WeakPolarHBondContact CA-O 3.43Å; G99-L143 PolarHBondContact N-O 3.01Å; G99-L143 PolarHBondContact O-N 3.46Å; Y101-L143 HydrophobicContact CD2-CB 3.73Å; Y101-L143 HydrophobicContact CD2-CD1 3.82Å; Y101-L143 HydrophobicContact CD2-CG 3.98Å; Y101-L143 HydrophobicContact CE2-CB 4.01Å; Y101-L143 HydrophobicContact CE2-CD1 4.5Å; Y101-L143 HydrophobicContact CG-CD1 3.87Å; Y101-L143 HydrophobicContact CG-CG 4.43Å; I103-L143 HydrophobicContact CD1-CD1 4.35Å; Y119-L143 HydrophobicContact CD2-CD2 4.38Å; Y119-L143 HydrophobicContact CG-CD2 4.16Å; L126-L143 HydrophobicContact CD1-CD2 4.25Å; L126-L143 HydrophobicContact CD2-CD2 4.38Å; A141-L143 HydrophobicContact CB-CD2 4.17Å; A141-L143 HydrophobicContact CB-CG 4.33Å; L143-D147 VanDerWaalsContact CA-OD2 3.3Å; L143-D147 WeakPolarHBondContact CA-OD2 3.38Å; L143-D147 HydrophobicContact CB-CB 4.49Å; L143-V149 HydrophobicContact CD1-CG2 3.79Å; L143-L172 HydrophobicContact CD1-CD2 4.45Å
144	T	96.7	Very high	97.2	Very high	61 Å²	61	54.1 Å²	54.1	37%	0.374	29%	0.289	S	S	.	.			trans	-129.4	160.6	-179	59.4	0	0	0	0	111.2	I95 D98 K146 D147	I95-T144 WeakPolarHBondContact CG2-O 3.49Å; D98-T144 VanDerWaalsContact OD1-CA 3.24Å; D98-T144 WeakPolarHBondContact OD1-CA 3.28Å; T144-K146 PolarHBondContact O-N 3.4Å; T144-D147 PolarHBondContact N-OD2 2.83Å; T144-D147 VanDerWaalsContact O-CB 3.22Å; T144-D147 WeakPolarHBondContact O-CB 3.3Å; T144-D147 VanDerWaalsContact O-CG 3.25Å; T144-D147 PolarHBondContact O-N 2.84Å; T144-D147 PolarHBondContact OG1-OD2 2.87Å
145	Y	95.6	Very high	97	Very high	89 Å²	89	52.5 Å²	52.5	35%	0.349	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	133	172.1	169.8	-115.1	0	0	0	110.5	D98 F180 V182	D98-Y145 PolarHBondContact OD1-N 3.37Å; Y145-F180 HydrophobicContact CD1-CE1 4.07Å; Y145-F180 HydrophobicContact CG-CE1 4.12Å; Y145-V182 HydrophobicContact CD1-CG2 3.97Å; Y145-V182 HydrophobicContact CD2-CB 3.84Å; Y145-V182 HydrophobicContact CD2-CG2 3.71Å; Y145-V182 HydrophobicContact CE1-CG2 3.91Å; Y145-V182 HydrophobicContact CE2-CB 3.6Å; Y145-V182 HydrophobicContact CE2-CG1 4.01Å; Y145-V182 HydrophobicContact CE2-CG2 3.65Å; Y145-V182 HydrophobicContact CG-CB 4.5Å; Y145-V182 HydrophobicContact CG-CG2 3.88Å
146	K	95.7	Very high	96.3	Very high	150 Å²	150	58.4 Å²	58.4	65%	0.652	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-11.3	-171.9	-55.7	173.4	178.2	175.1	0	115.7	T144	T144-K146 PolarHBondContact O-N 3.4Å
147	D	97.8	Very high	95.3	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	30%	0.3	C	S	.	.			trans	-61.7	144.8	168.7	-68.9	-17.1	0	0	0	110.5	I95 Q120 L143 T144	I95-D147 HydrophobicContact CB-CB 3.98Å; I95-D147 WeakPolarHBondContact CB-O 3.34Å; I95-D147 HydrophobicContact CG1-CB 3.79Å; I95-D147 WeakPolarHBondContact CG1-O 3.48Å; I95-D147 PolarHBondContact N-O 2.96Å; Q120-D147 WeakPolarHBondContact CG-OD1 3.33Å; Q120-D147 PolarHBondContact NE2-OD1 2.84Å; L143-D147 VanDerWaalsContact CA-OD2 3.3Å; L143-D147 WeakPolarHBondContact CA-OD2 3.38Å; L143-D147 HydrophobicContact CB-CB 4.49Å; T144-D147 PolarHBondContact N-OD2 2.83Å; T144-D147 VanDerWaalsContact O-CB 3.22Å; T144-D147 WeakPolarHBondContact O-CB 3.3Å; T144-D147 VanDerWaalsContact O-CG 3.25Å; T144-D147 PolarHBondContact O-N 2.84Å; T144-D147 PolarHBondContact OG1-OD2 2.87Å
148	K	97.9	Very high	94.1	Very high	98 Å²	98	62.7 Å²	62.7	43%	0.426	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	106.3	-179.3	-62.1	-174.5	-174.8	174.6	0	108.6	V93 I94 Y119 Y150	V93-K148 CarbonylContact O-C 3.56Å; V93-K148 WeakPolarHBondContact O-CA 3.24Å; I94-K148 HydrophobicContact CD1-CD 4.04Å; I94-K148 HydrophobicContact CD1-CG 3.85Å; Y119-K148 CarbonylContact C-O 3.59Å; Y119-K148 WeakPolarHBondContact CA-O 3.32Å; Y119-K148 CarbonylContact O-C 3.57Å; Y119-K148 PolarHBondContact O-N 2.9Å; Y119-K148 VanDerWaalsContact O-O 3.05Å; K148-Y150 WeakPolarHBondContact O-CD1 3.4Å; K148-Y150 PolarHBondContact O-N 2.85Å
149	V	98	Very high	93.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.4	-178.2	180	0	0	0	0	110	S92 V93 I95 L117 H118 L143 L170 L172	S92-V149 CarbonylContact C-O 3.57Å; S92-V149 WeakPolarHBondContact CA-O 3.49Å; V93-V149 HydrophobicContact CB-CB 4.27Å; V93-V149 PolarHBondContact N-O 3.04Å; V93-V149 PolarHBondContact O-N 3.44Å; I95-V149 HydrophobicContact CD1-CG2 4.04Å; I95-V149 HydrophobicContact CG1-CG2 4.19Å; L117-V149 HydrophobicContact CD1-CG1 3.85Å; L117-V149 HydrophobicContact CD2-CG1 4.14Å; L117-V149 HydrophobicContact CG-CG1 3.95Å; H118-V149 CarbonylContact O-C 3.5Å; H118-V149 WeakPolarHBondContact O-CA 3.34Å; L143-V149 HydrophobicContact CD1-CG2 3.79Å; V149-L170 HydrophobicContact CG1-CD2 4.38Å; V149-L172 HydrophobicContact CB-CD2 3.95Å; V149-L172 HydrophobicContact CG1-CD2 4.13Å; V149-L172 HydrophobicContact CG2-CD2 3.77Å
150	Y	97.4	Very high	92.6	Very high	58 Å²	58	61 Å²	61	23%	0.227	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.6	179.9	65.7	-92	0	0	0	112.1	H118 Q120 K148	H118-Y150 HydrophobicContact CB-CD1 3.92Å; H118-Y150 HydrophobicContact CB-CD2 3.94Å; H118-Y150 HydrophobicContact CB-CE1 3.4Å; H118-Y150 VanDerWaalsContact CB-CE1 3.4Å; H118-Y150 HydrophobicContact CB-CE2 3.41Å; H118-Y150 VanDerWaalsContact CB-CE2 3.41Å; H118-Y150 HydrophobicContact CB-CG 4.17Å; H118-Y150 WeakPolarHBondContact CB-OH 3.36Å; H118-Y150 AromaticContact CD2-CE2 3.74Å; H118-Y150 AromaticContact CG-CE2 3.51Å; H118-Y150 AromaticContact CG-CZ 3.49Å; H118-Y150 VanDerWaalsContact CG-CZ 3.49Å; H118-Y150 PolarHBondContact N-O 3.01Å; H118-Y150 AromaticContact ND1-CZ 3.94Å; H118-Y150 PolarHBondContact ND1-OH 2.94Å; H118-Y150 PolarHBondContact O-N 3.24Å; Q120-Y150 PolarHBondContact O-OH 3.13Å; K148-Y150 WeakPolarHBondContact O-CD1 3.4Å; K148-Y150 PolarHBondContact O-N 2.85Å
151	L	97.3	Very high	91.8	Very high	11 Å²	11	63.8 Å²	63.8	6%	0.058	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.2	179.4	-173.1	70.7	0	0	0	109.5	F66 L77 L105 I115 L117 V153	F66-L151 HydrophobicContact CD1-CD2 4.07Å; F66-L151 HydrophobicContact CD2-CD2 3.78Å; F66-L151 HydrophobicContact CE1-CD2 3.95Å; F66-L151 HydrophobicContact CE2-CD2 3.68Å; F66-L151 HydrophobicContact CG-CD2 4Å; F66-L151 HydrophobicContact CZ-CD2 3.77Å; L77-L151 HydrophobicContact CD2-CB 4.48Å; L105-L151 HydrophobicContact CD1-CD1 4.09Å; L105-L151 HydrophobicContact CD2-CD1 3.94Å; I115-L151 HydrophobicContact CG2-CD1 3.86Å; L117-L151 HydrophobicContact CD1-CB 4.46Å; L117-L151 HydrophobicContact CD1-CD1 4.08Å; L151-V153 HydrophobicContact CD1-CG2 4.34Å; L151-V153 HydrophobicContact CD2-CG2 3.81Å; L151-V153 HydrophobicContact CG-CG2 3.8Å
152	N	96.2	Very high	91	Very high	70 Å²	70	69.1 Å²	69.1	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.5	170.7	-177.7	9.4	0	0	0	109.2	I115 S116	I115-N152 CarbonylContact C-O 3.58Å; I115-N152 WeakPolarHBondContact CA-O 3.26Å; S116-N152 PolarHBondContact N-O 2.74Å; S116-N152 PolarHBondContact O-N 2.98Å
153	V	95.9	Very high	90.8	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.3	177.3	-171.5	0	0	0	0	109.1	F75 F109 V113 N114 I115 L151 F163	F75-V153 HydrophobicContact CD2-CB 3.82Å; F75-V153 HydrophobicContact CD2-CG1 4.3Å; F75-V153 HydrophobicContact CD2-CG2 3.78Å; F75-V153 HydrophobicContact CE2-CB 3.96Å; F75-V153 HydrophobicContact CE2-CG1 3.92Å; F75-V153 HydrophobicContact CE2-CG2 4.17Å; F109-V153 HydrophobicContact CD1-CG1 4.47Å; F109-V153 HydrophobicContact CE1-CG1 3.99Å; F109-V153 HydrophobicContact CE1-CG2 4.4Å; V113-V153 HydrophobicContact CB-CG1 3.71Å; V113-V153 HydrophobicContact CG1-CG1 3.81Å; V113-V153 HydrophobicContact CG2-CG1 4.12Å; N114-V153 WeakPolarHBondContact O-CA 3.33Å; I115-V153 HydrophobicContact CG1-CG1 4.28Å; I115-V153 HydrophobicContact CG1-CG2 4.43Å; I115-V153 HydrophobicContact CG2-CG2 4.34Å; L151-V153 HydrophobicContact CD1-CG2 4.34Å; L151-V153 HydrophobicContact CD2-CG2 3.81Å; L151-V153 HydrophobicContact CG-CG2 3.8Å; V153-F163 HydrophobicContact CG1-CZ 4.28Å
154	T	94.2	Very high	90.6	Very high	57 Å²	57	70.2 Å²	70.2	35%	0.35	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.4	176.2	63.8	0	0	0	0	109.9	V113 N114	V113-T154 CarbonylContact C-O 3.57Å; V113-T154 VanDerWaalsContact CA-O 3.3Å; V113-T154 WeakPolarHBondContact CA-O 3.4Å; N114-T154 PolarHBondContact N-O 2.91Å; N114-T154 PolarHBondContact O-N 2.85Å
155	T	92.3	Very high	90.6	Very high	24 Å²	24	67.6 Å²	67.6	15%	0.147	35%	0.349	C	S	.	.			trans	-134	141.5	174.9	-172.4	0	0	0	0	108.6	Q111 E112 L160 F163	Q111-T155 VanDerWaalsContact NE2-CG2 3.29Å; Q111-T155 PolarHBondContact NE2-OG1 2.94Å; Q111-T155 VanDerWaalsContact NE2-OG1 3.17Å; E112-T155 PolarHBondContact O-OG1 3.45Å; T155-L160 HydrophobicContact CG2-CD2 4.1Å; T155-F163 HydrophobicContact CG2-CE1 4.42Å; T155-F163 HydrophobicContact CG2-CZ 4.49Å
156	D	84.4	Confident	90.7	Very high	127 Å²	127	68 Å²	68	68%	0.679	36%	0.357	S	S	*	.			trans	-84.1	-5.3	177.9	-62.8	-23.6	0	0	0	111.6
157	N	76.4	Confident	90.7	Very high	78 Å²	78	63.5 Å²	63.5	42%	0.417	35%	0.353	S	S	.	.			trans	-72.9	134.7	-176.6	-77	-4.7	0	0	0	111.7	Q111 S159	Q111-N157 VanDerWaalsContact CB-ND2 3.33Å; Q111-N157 WeakPolarHBondContact CB-ND2 3.32Å; Q111-N157 VanDerWaalsContact CD-ND2 3.29Å; Q111-N157 PolarHBondContact OE1-ND2 2.81Å; N157-S159 VanDerWaalsContact C-N 3.31Å; N157-S159 PolarHBondContact O-N 2.87Å
158	T	72.8	Confident	90.7	Very high	152 Å²	152	63.5 Å²	63.5	93%	0.933	35%	0.354	S	S	*	.	S	Bend	trans	-69.5	-27.7	178.8	41.2	0	0	0	0	113.2
159	S	80.5	Confident	90.7	Very high	55 Å²	55	60.2 Å²	60.2	39%	0.385	34%	0.34	S	S	.	.			trans	-92.1	122.3	178	-175.7	0	0	0	0	110.9	N157 D161	N157-S159 VanDerWaalsContact C-N 3.31Å; N157-S159 PolarHBondContact O-N 2.87Å; S159-D161 PolarHBondContact OG-N 2.94Å
160	L	85.1	Confident	90.6	Very high	61 Å²	61	60.2 Å²	60.2	32%	0.319	34%	0.34	S	S	.	.			trans	-101.7	-5.2	168.7	-66.5	175.6	0	0	0	112	Y69 K71 T155 D162 F163	Y69-L160 HydrophobicContact CD1-CD2 4.37Å; Y69-L160 HydrophobicContact CE1-CD1 4.32Å; Y69-L160 HydrophobicContact CE1-CD2 3.88Å; K71-L160 HydrophobicContact CG-CD1 4.27Å; T155-L160 HydrophobicContact CG2-CD2 4.1Å; L160-D162 PolarHBondContact O-N 2.99Å; L160-F163 HydrophobicContact CD2-CB 4.23Å; L160-F163 HydrophobicContact CD2-CD1 4.03Å; L160-F163 HydrophobicContact CD2-CG 4.41Å; L160-F163 PolarHBondContact O-N 3.32Å; L160-F163 VanDerWaalsContact O-N 3.08Å
161	D	80.1	Confident	90.6	Very high	152 Å²	152	59.3 Å²	59.3	81%	0.813	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.7	-170.5	-66.6	-12.1	0	0	0	112	S159	S159-D161 PolarHBondContact OG-N 2.94Å
162	D	82.3	Confident	90.6	Very high	125 Å²	125	58.8 Å²	58.8	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	12.7	176.4	-69	-38.6	0	0	0	113.1	S110 L160 H164	S110-D162 WeakPolarHBondContact CB-O 3.15Å; S110-D162 PolarHBondContact OG-O 2.85Å; L160-D162 PolarHBondContact O-N 2.99Å; D162-H164 PolarHBondContact O-N 2.81Å; D162-H164 PolarHBondContact O-ND1 2.86Å
163	F	91.9	Very high	90.5	Very high	16 Å²	16	58.2 Å²	58.2	7%	0.07	33%	0.333	C	S	.	.			trans	-77.5	99.9	-176.3	-176.2	-133.2	0	0	0	111.9	Y69 F75 F109 Q111 V113 V153 T155 L160	Y69-F163 AromaticContact CD1-CD1 3.61Å; Y69-F163 HydrophobicContact CD1-CD1 3.61Å; Y69-F163 AromaticContact CD1-CE1 3.93Å; Y69-F163 HydrophobicContact CD1-CE1 3.93Å; Y69-F163 AromaticContact CD2-CD1 3.94Å; Y69-F163 HydrophobicContact CD2-CD1 3.94Å; Y69-F163 AromaticContact CD2-CE1 3.43Å; Y69-F163 HydrophobicContact CD2-CE1 3.43Å; Y69-F163 VanDerWaalsContact CD2-CE1 3.43Å; Y69-F163 AromaticContact CE1-CD1 3.94Å; Y69-F163 HydrophobicContact CE1-CD1 3.94Å; Y69-F163 HydrophobicContact CE1-CE1 4.04Å; Y69-F163 HydrophobicContact CE2-CD1 4.25Å; Y69-F163 AromaticContact CE2-CE1 3.56Å; Y69-F163 HydrophobicContact CE2-CE1 3.56Å; Y69-F163 AromaticContact CG-CD1 3.59Å; Y69-F163 HydrophobicContact CG-CD1 3.59Å; Y69-F163 AromaticContact CG-CE1 3.61Å; Y69-F163 HydrophobicContact CG-CE1 3.61Å; Y69-F163 AromaticContact CZ-CE1 3.86Å; F75-F163 AromaticContact CE2-CE1 3.77Å; F75-F163 HydrophobicContact CE2-CE1 3.77Å; F75-F163 HydrophobicContact CE2-CE2 4.49Å; F75-F163 AromaticContact CE2-CZ 3.57Å; F75-F163 HydrophobicContact CE2-CZ 3.57Å; F75-F163 HydrophobicContact CZ-CD1 4.42Å; F75-F163 AromaticContact CZ-CE1 3.72Å; F75-F163 HydrophobicContact CZ-CE1 3.72Å; F75-F163 HydrophobicContact CZ-CE2 4.21Å; F75-F163 AromaticContact CZ-CZ 3.61Å; F75-F163 HydrophobicContact CZ-CZ 3.61Å; F109-F163 HydrophobicContact CD1-CE2 4.31Å; F109-F163 HydrophobicContact CD1-CZ 4.47Å; Q111-F163 HydrophobicContact CG-CD2 3.61Å; Q111-F163 HydrophobicContact CG-CE2 3.86Å; V113-F163 HydrophobicContact CG1-CE2 3.68Å; V113-F163 HydrophobicContact CG1-CZ 3.79Å; V153-F163 HydrophobicContact CG1-CZ 4.28Å; T155-F163 HydrophobicContact CG2-CE1 4.42Å; T155-F163 HydrophobicContact CG2-CZ 4.49Å; L160-F163 HydrophobicContact CD2-CB 4.23Å; L160-F163 HydrophobicContact CD2-CD1 4.03Å; L160-F163 HydrophobicContact CD2-CG 4.41Å; L160-F163 PolarHBondContact O-N 3.32Å; L160-F163 VanDerWaalsContact O-N 3.08Å
164	H	94	Very high	90.5	Very high	85 Å²	85	58.6 Å²	58.6	39%	0.394	33%	0.334	S	S	.	.			trans	-132	164.1	176.4	65.4	-82.7	0	0	0	112.4	S110 D162	S110-H164 VanDerWaalsContact CB-CE1 3.48Å; S110-H164 WeakPolarHBondContact CB-CE1 3.21Å; S110-H164 PolarHBondContact N-O 2.9Å; S110-H164 PolarHBondContact OG-N 2.85Å; S110-H164 PolarHBondContact OG-O 2.83Å; D162-H164 PolarHBondContact O-N 2.81Å; D162-H164 PolarHBondContact O-ND1 2.86Å
165	V	96.9	Very high	90.6	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131	171.1	65.1	0	0	0	0	109.7	F66 F75 Y108 F109	F66-V165 HydrophobicContact CD2-CG1 3.96Å; F66-V165 HydrophobicContact CE2-CG1 4.2Å; F66-V165 HydrophobicContact CE2-CG2 4.14Å; F66-V165 WeakPolarHBondContact O-CG1 3.41Å; F75-V165 HydrophobicContact CD1-CG1 3.84Å; F75-V165 HydrophobicContact CE1-CB 3.92Å; F75-V165 HydrophobicContact CE1-CG1 3.34Å; F75-V165 HydrophobicContact CZ-CB 3.87Å; F75-V165 HydrophobicContact CZ-CG1 3.79Å; Y108-V165 CarbonylContact O-C 3.59Å; Y108-V165 WeakPolarHBondContact O-CA 3.17Å; F109-V165 HydrophobicContact CD1-CB 3.9Å; F109-V165 HydrophobicContact CD1-CG2 3.82Å; F109-V165 HydrophobicContact CE1-CB 3.99Å; F109-V165 HydrophobicContact CE1-CG2 3.69Å; F109-V165 HydrophobicContact CE2-CG2 4.46Å; F109-V165 HydrophobicContact CG-CG2 4.29Å; F109-V165 HydrophobicContact CZ-CG2 4.04Å
166	N	97	Very high	90.5	Very high	97 Å²	97	61.3 Å²	61.3	52%	0.519	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.5	171.5	-69.3	-42.5	0	0	0	109.5	Y108 G168	Y108-N166 PolarHBondContact N-O 2.9Å; Y108-N166 PolarHBondContact O-N 3.17Å; N166-G168 VanDerWaalsContact C-N 3.26Å; N166-G168 PolarHBondContact O-N 2.9Å
167	G	96.2	Very high	90.3	Very high	56 Å²	56	58.4 Å²	58.4	58%	0.577	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	63.2	28.6	178.3	0	0	0	0	0	114.5	K106 E169	K106-G167 CarbonylContact C-O 3.54Å; G167-E169 PolarHBondContact O-N 2.88Å; G167-E169 VanDerWaalsContact O-N 3.11Å
168	G	97.4	Very high	90.5	Very high	3 Å²	3	58 Å²	58	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	107.5	174.5	0	0	0	0	0	110.9	Q65 F66 K106 N166	Q65-G168 WeakPolarHBondContact CA-O 3.29Å; F66-G168 VanDerWaalsContact CE1-C 3.46Å; F66-G168 VanDerWaalsContact CZ-CA 3.5Å; F66-G168 PolarHBondContact N-O 3.08Å; F66-G168 VanDerWaalsContact N-O 3.08Å; K106-G168 WeakPolarHBondContact O-CA 3.09Å; N166-G168 VanDerWaalsContact C-N 3.26Å; N166-G168 PolarHBondContact O-N 2.9Å
169	E	97.6	Very high	91.1	Very high	30 Å²	30	55.8 Å²	55.8	14%	0.14	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.6	-174.4	179.5	-179	89	0	0	110.7	K63 V64 L105 K106 G167 I171	K63-E169 WeakPolarHBondContact CE-OE2 3.49Å; K63-E169 HydrophobicContact CG-CG 4.47Å; K63-E169 IonicContact NZ-OE2 3.36Å; K63-E169 PolarHBondContact NZ-OE2 2.87Å; V64-E169 WeakPolarHBondContact O-CA 3.13Å; L105-E169 WeakPolarHBondContact CA-O 3.37Å; K106-E169 HydrophobicContact CB-CB 4.38Å; K106-E169 PolarHBondContact N-O 2.79Å; K106-E169 PolarHBondContact O-N 3.5Å; G167-E169 PolarHBondContact O-N 2.88Å; G167-E169 VanDerWaalsContact O-N 3.11Å; E169-I171 HydrophobicContact CG-CD1 4.12Å; E169-I171 HydrophobicContact CG-CG1 4Å; E169-I171 WeakPolarHBondContact OE1-CD1 3.34Å
170	L	97.6	Very high	91.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.2	172.3	174.2	61.8	0	0	0	108.6	V64 F66 I103 S104 L105 L117 V149 L172	V64-L170 HydrophobicContact CB-CB 4.49Å; V64-L170 PolarHBondContact N-O 3.31Å; V64-L170 PolarHBondContact O-N 3.11Å; F66-L170 HydrophobicContact CD1-CB 4.49Å; F66-L170 HydrophobicContact CE1-CB 4.28Å; I103-L170 HydrophobicContact CG2-CD1 3.83Å; S104-L170 CarbonylContact O-C 3.54Å; S104-L170 WeakPolarHBondContact O-CA 3.4Å; L105-L170 HydrophobicContact CD1-CB 4.39Å; L105-L170 HydrophobicContact CD1-CD1 4.38Å; L117-L170 HydrophobicContact CD1-CD1 4.19Å; L117-L170 HydrophobicContact CD1-CD2 4.05Å; L117-L170 HydrophobicContact CD2-CD1 4.23Å; V149-L170 HydrophobicContact CG1-CD2 4.38Å; L170-L172 HydrophobicContact CD1-CD1 3.88Å; L170-L172 HydrophobicContact CD2-CD1 4Å; L170-L172 HydrophobicContact CG-CD1 3.63Å
171	I	96.6	Very high	91.8	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.195	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.1	178.2	-64	168.8	0	0	0	108.5	I62 K63 I103 S104 E169 I173	I62-I171 WeakPolarHBondContact O-CA 3.33Å; K63-I171 HydrophobicContact CB-CG1 4.19Å; K63-I171 HydrophobicContact CG-CG1 4.03Å; I103-I171 CarbonylContact C-O 3.6Å; I103-I171 VanDerWaalsContact CA-O 3.3Å; I103-I171 WeakPolarHBondContact CA-O 3.03Å; S104-I171 PolarHBondContact N-O 2.65Å; S104-I171 PolarHBondContact O-N 2.96Å; E169-I171 HydrophobicContact CG-CD1 4.12Å; E169-I171 HydrophobicContact CG-CG1 4Å; E169-I171 WeakPolarHBondContact OE1-CD1 3.34Å; I171-I173 HydrophobicContact CG2-CD1 3.97Å; I171-I173 HydrophobicContact CG2-CG1 3.79Å
172	L	97	Very high	92.3	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134	169.7	-65.8	79.8	0	0	0	108.7	S61 I62 V93 I95 Y101 L102 I103 L143 V149 L170	S61-L172 CarbonylContact C-O 3.56Å; S61-L172 WeakPolarHBondContact CA-O 3.28Å; I62-L172 HydrophobicContact CG2-CB 4.17Å; I62-L172 HydrophobicContact CG2-CD1 3.96Å; I62-L172 PolarHBondContact N-O 3.36Å; I62-L172 PolarHBondContact O-N 3.19Å; I62-L172 VanDerWaalsContact O-N 3.09Å; V93-L172 HydrophobicContact CG1-CD1 4.38Å; V93-L172 HydrophobicContact CG1-CD2 4.17Å; V93-L172 HydrophobicContact CG2-CD1 4.28Å; I95-L172 HydrophobicContact CD1-CD2 3.94Å; Y101-L172 HydrophobicContact CD1-CB 4.27Å; L102-L172 CarbonylContact O-C 3.56Å; L102-L172 WeakPolarHBondContact O-CA 3.49Å; I103-L172 HydrophobicContact CG1-CG 4.2Å; I103-L172 HydrophobicContact CG2-CG 4.45Å; L143-L172 HydrophobicContact CD1-CD2 4.45Å; V149-L172 HydrophobicContact CB-CD2 3.95Å; V149-L172 HydrophobicContact CG1-CD2 4.13Å; V149-L172 HydrophobicContact CG2-CD2 3.77Å; L170-L172 HydrophobicContact CD1-CD1 3.88Å; L170-L172 HydrophobicContact CD2-CD1 4Å; L170-L172 HydrophobicContact CG-CD1 3.63Å
173	I	95.5	Very high	92.3	Very high	58 Å²	58	55.2 Å²	55.2	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	116.2	178.1	-52.4	172.2	0	0	0	108.7	I59 Y101 L102 I171 Q175	I59-I173 HydrophobicContact CG2-CG2 4.26Å; Y101-I173 WeakPolarHBondContact CA-O 3.29Å; L102-I173 HydrophobicContact CB-CB 4.42Å; L102-I173 PolarHBondContact N-O 3.04Å; L102-I173 PolarHBondContact O-N 3.47Å; I171-I173 HydrophobicContact CG2-CD1 3.97Å; I171-I173 HydrophobicContact CG2-CG1 3.79Å; I173-Q175 PolarHBondContact O-NE2 2.98Å
174	H	95.5	Very high	92.3	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.051	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134	174.5	-175.6	-137.2	0	0	0	111.3	Q60 D98 Y101 N176	Q60-H174 HydrophobicContact CB-CB 3.76Å; Q60-H174 VanDerWaalsContact O-CB 3.28Å; Q60-H174 WeakPolarHBondContact O-CB 3.34Å; Q60-H174 PolarHBondContact O-N 2.81Å; D98-H174 PolarHBondContact O-NE2 2.98Å; Y101-H174 HydrophobicContact CD1-CB 4.11Å; Y101-H174 HydrophobicContact CE1-CB 3.6Å; Y101-H174 AromaticContact CE2-CD2 3.57Å; Y101-H174 AromaticContact CZ-CD2 3.6Å; Y101-H174 AromaticContact CZ-CG 3.93Å; H174-N176 VanDerWaalsContact CE1-C 3.45Å; H174-N176 PolarHBondContact CE1-O 3.22Å; H174-N176 PolarHBondContact NE2-O 2.89Å
175	Q	95.1	Very high	92.2	Very high	93 Å²	93	55.7 Å²	55.7	44%	0.435	33%	0.325	S	S	.	.			trans	-106.5	-6.7	-174	-57.2	-59.2	-61.8	0	0	113.4	F100 L102 I173 P177	F100-Q175 HydrophobicContact CB-CB 4.29Å; F100-Q175 WeakPolarHBondContact O-CB 3.3Å; F100-Q175 PolarHBondContact O-N 3.42Å; L102-Q175 HydrophobicContact CB-CG 4.3Å; I173-Q175 PolarHBondContact O-NE2 2.98Å; Q175-P177 VanDerWaalsContact O-CD 3.3Å; Q175-P177 WeakPolarHBondContact O-CD 3.17Å
176	N	91.3	Very high	91.9	Very high	45 Å²	45	58.5 Å²	58.5	24%	0.241	34%	0.341	C	S	.	.			trans	-121.5	70.8	-173.1	-61.8	91.9	0	0	0	111.9	F100 H174 G178 E179	F100-N176 VanDerWaalsContact CB-OD1 3.31Å; F100-N176 WeakPolarHBondContact CB-OD1 2.92Å; F100-N176 VanDerWaalsContact CD2-OD1 3.28Å; F100-N176 WeakPolarHBondContact CD2-OD1 3.42Å; F100-N176 PolarHBondContact N-OD1 3.18Å; H174-N176 VanDerWaalsContact CE1-C 3.45Å; H174-N176 PolarHBondContact CE1-O 3.22Å; H174-N176 PolarHBondContact NE2-O 2.89Å; N176-G178 PolarHBondContact O-N 3Å; N176-E179 HydrophobicContact CB-CG 3.66Å; N176-E179 PolarHBondContact O-N 2.82Å
177	P	80.7	Confident	91.6	Very high	66 Å²	66	56.2 Å²	56.2	43%	0.429	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.4	176.9	27.4	-34.3	0	0	0	110.7	Y56 Q175	Y56-P177 HydrophobicContact CD1-CB 3.91Å; Y56-P177 HydrophobicContact CD1-CG 4.49Å; Y56-P177 HydrophobicContact CE1-CB 4.24Å; Y56-P177 HydrophobicContact CE1-CG 4.39Å; Q175-P177 VanDerWaalsContact O-CD 3.3Å; Q175-P177 WeakPolarHBondContact O-CD 3.17Å
178	G	80.2	Confident	91.3	Very high	70 Å²	70	56.3 Å²	56.3	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	-8.4	179.9	0	0	0	0	0	115	N176	N176-G178 PolarHBondContact O-N 3Å
179	E	84.8	Confident	90.9	Very high	105 Å²	105	59.8 Å²	59.8	49%	0.491	33%	0.334	S	S	.	.	S	Bend	trans	-67.1	168.4	169.6	-74.1	-62.4	161.9	0	0	112.8	D98 N176 C181	D98-E179 WeakPolarHBondContact O-CB 2.8Å; N176-E179 HydrophobicContact CB-CG 3.66Å; N176-E179 PolarHBondContact O-N 2.82Å; E179-C181 PolarHBondContact O-N 3.08Å; E179-C181 PolarHBondContact O-SG 2.83Å; E179-C181 VanDerWaalsContact O-SG 3.39Å
180	F	89.9	Confident	90.4	Very high	114 Å²	114	61.9 Å²	61.9	50%	0.5	35%	0.347	S	S	.	.			trans	-53.8	130.7	179	176.6	-100.8	0	0	0	111.2	C97 D98 Y145 V182	C97-F180 CarbonylContact C-O 3.49Å; C97-F180 WeakPolarHBondContact CA-O 3.3Å; D98-F180 HydrophobicContact CB-CB 4.45Å; D98-F180 PolarHBondContact N-O 3.41Å; Y145-F180 HydrophobicContact CD1-CE1 4.07Å; Y145-F180 HydrophobicContact CG-CE1 4.12Å; F180-V182 HydrophobicContact CE1-CG2 3.74Å; F180-V182 HydrophobicContact CZ-CG2 3.65Å
181	C	90.8	Very high	89.9	Confident	41 Å²	41	66.7 Å²	66.7	28%	0.277	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-139.3	142.7	-179.5	-69.1	0	0	0	0	111.1	N96 C97 E179 L183	N96-C181 CarbonylContact O-C 3.52Å; N96-C181 VanDerWaalsContact O-CA 3.28Å; N96-C181 WeakPolarHBondContact O-CA 3.33Å; C97-C181 HydrophobicContact CB-CB 4.09Å; C97-C181 WeakPolarHBondContact CB-SG 3.4Å; C97-C181 WeakPolarHBondContact SG-CB 3.48Å; C97-C181 CovalentContact SG-SG 2.03Å; C97-C181 PolarHBondContact SG-SG 3.21Å; E179-C181 PolarHBondContact O-N 3.08Å; E179-C181 PolarHBondContact O-SG 2.83Å; E179-C181 VanDerWaalsContact O-SG 3.39Å; C181-L183 HydrophobicContact CB-CD2 4.34Å; C181-L183 HydrophobicContact CB-CG 4.32Å
182	V	89.4	Confident	89.3	Confident	54 Å²	54	69.1 Å²	69.1	33%	0.327	39%	0.389	S	S	.	.			trans	-112.4	105.8	165.8	-176.2	0	0	0	0	107.8	N96 Y145 F180	N96-V182 WeakPolarHBondContact CB-O 3.5Å; N96-V182 PolarHBondContact O-N 3.26Å; Y145-V182 HydrophobicContact CD1-CG2 3.97Å; Y145-V182 HydrophobicContact CD2-CB 3.84Å; Y145-V182 HydrophobicContact CD2-CG2 3.71Å; Y145-V182 HydrophobicContact CE1-CG2 3.91Å; Y145-V182 HydrophobicContact CE2-CB 3.6Å; Y145-V182 HydrophobicContact CE2-CG1 4.01Å; Y145-V182 HydrophobicContact CE2-CG2 3.65Å; Y145-V182 HydrophobicContact CG-CB 4.5Å; Y145-V182 HydrophobicContact CG-CG2 3.88Å; F180-V182 HydrophobicContact CE1-CG2 3.74Å; F180-V182 HydrophobicContact CZ-CG2 3.65Å
183	L	82	Confident	88.7	Confident	172 Å²	172	75.4 Å²	75.4	90%	0.901	42%	0.424	S	S	*	.			trans	-100.1	0	-177.7	-59	-179.3	0	0	0	112.1	C181	C181-L183 HydrophobicContact CB-CD2 4.34Å; C181-L183 HydrophobicContact CB-CG 4.32Å

Retrieved 183 of 183 residues in 34.4 ms (Link to these results)

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