A0A096MF27_POEFO Loading...

NADH-cytochrome b5 reductase

AlphaFold DB , UniProt , Accession A0A096MF27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 305 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	A	51.2	Low	56.2	Low	161 Å²	161	109.3 Å²	109.3	100%	1.331	66%	0.66	S	S	*	*				0	101.6	0	0	0	0	0	0	107.3
2	M	46.6	Very low	56.9	Low	192 Å²	192	109.3 Å²	109.3	95%	0.946	65%	0.652	S	S	*	*			trans	-98.9	133	173.9	-90.4	171.8	68	0	0	108	S4	M2-S4 PolarHBondContact O-N 3.39Å
3	D	48.3	Very low	57.7	Low	119 Å²	119	105.2 Å²	105.2	64%	0.636	64%	0.638	S	S	*	*			trans	-51.9	110.5	-171	-108.1	-43.8	0	0	0	113.7	T5	D3-T5 PolarHBondContact O-N 3.21Å; D3-T5 PolarHBondContact OD1-OG1 3Å
4	S	54.6	Low	58.6	Low	86 Å²	86	103.6 Å²	103.6	60%	0.601	63%	0.629	S	S	*	*	H	α-helix	trans	-75.4	-4.2	168.9	55	0	0	0	0	112.9	M2 T7	M2-S4 PolarHBondContact O-N 3.39Å; S4-T7 WeakPolarHBondContact CA-OG1 3.18Å; S4-T7 PolarHBondContact O-OG1 3.32Å
5	T	56.1	Low	59.2	Low	95 Å²	95	100.2 Å²	100.2	58%	0.583	61%	0.611	S	S	*	*	H	α-helix	trans	-84.5	-29.4	-178.1	51.7	0	0	0	0	112.7	D3 P9	D3-T5 PolarHBondContact O-N 3.21Å; D3-T5 PolarHBondContact OD1-OG1 3Å; T5-P9 WeakPolarHBondContact O-CD 3.47Å; T5-P9 WeakPolarHBondContact O-CG 3.41Å
6	L	52.1	Low	60	Low	120 Å²	120	99.6 Å²	99.6	63%	0.628	61%	0.607	S	S	*	*	H	α-helix	trans	-89.2	-26	179.9	-158.2	74.4	0	0	0	113	P9 V10	L6-P9 WeakPolarHBondContact O-CD 3.24Å; L6-P9 WeakPolarHBondContact O-CG 3.46Å; L6-V10 HydrophobicContact CG-CG2 4.48Å; L6-V10 WeakPolarHBondContact O-CG2 3.07Å; L6-V10 PolarHBondContact O-N 3.1Å
7	T	56.2	Low	61	Low	81 Å²	81	98.8 Å²	98.8	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-69.7	-39.3	-177.3	34.5	0	0	0	0	112.6	S4 V11	S4-T7 WeakPolarHBondContact CA-OG1 3.18Å; S4-T7 PolarHBondContact O-OG1 3.32Å; T7-V11 WeakPolarHBondContact O-CB 3.23Å; T7-V11 WeakPolarHBondContact O-CG2 3.5Å; T7-V11 PolarHBondContact O-N 2.82Å
8	I	57.9	Low	61.8	Low	109 Å²	109	97.4 Å²	97.4	56%	0.559	59%	0.593	S	S	*	*	H	α-helix	trans	-64.1	-50.8	179.1	-60.4	174.7	0	0	0	112.9	V10 V11 L12	I8-V10 VanDerWaalsContact C-N 3.35Å; I8-V10 PolarHBondContact O-N 3.11Å; I8-V11 PolarHBondContact O-N 3.4Å; I8-L12 HydrophobicContact CG2-CD1 4.02Å; I8-L12 WeakPolarHBondContact O-CG 3.23Å; I8-L12 PolarHBondContact O-N 2.86Å
9	P	60.1	Low	62.3	Low	68 Å²	68	98.2 Å²	98.2	44%	0.442	59%	0.593	S	S	.	*	H	α-helix	trans	-67.5	-32.6	179.5	22.5	-31	0	0	0	113	T5 L6 A13	T5-P9 WeakPolarHBondContact O-CD 3.47Å; T5-P9 WeakPolarHBondContact O-CG 3.41Å; L6-P9 WeakPolarHBondContact O-CD 3.24Å; L6-P9 WeakPolarHBondContact O-CG 3.46Å; P9-A13 WeakPolarHBondContact O-CB 3.23Å; P9-A13 PolarHBondContact O-N 2.69Å
10	V	66.4	Low	62.7	Low	79 Å²	79	96.6 Å²	96.6	48%	0.479	58%	0.583	S	S	.	*	H	α-helix	trans	-68.4	-42.7	175.8	173.6	0	0	0	0	111.1	L6 I8 A13 V14	L6-V10 HydrophobicContact CG-CG2 4.48Å; L6-V10 WeakPolarHBondContact O-CG2 3.07Å; L6-V10 PolarHBondContact O-N 3.1Å; I8-V10 VanDerWaalsContact C-N 3.35Å; I8-V10 PolarHBondContact O-N 3.11Å; V10-A13 PolarHBondContact O-N 2.8Å; V10-V14 HydrophobicContact CG1-CG2 4.44Å; V10-V14 WeakPolarHBondContact O-CB 3.33Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.31Å; V10-V14 PolarHBondContact O-N 2.67Å
11	V	68.6	Low	63.1	Low	92 Å²	92	96.6 Å²	96.6	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-64.4	-41.1	176.5	171.2	0	0	0	0	111.1	T7 I8 S15	T7-V11 WeakPolarHBondContact O-CB 3.23Å; T7-V11 WeakPolarHBondContact O-CG2 3.5Å; T7-V11 PolarHBondContact O-N 2.82Å; I8-V11 PolarHBondContact O-N 3.4Å; V11-S15 WeakPolarHBondContact O-CB 3.37Å; V11-S15 PolarHBondContact O-N 3.47Å; V11-S15 PolarHBondContact O-OG 2.85Å
12	L	65	Low	63.9	Low	109 Å²	109	93 Å²	93	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-43.5	175.8	-75.1	167.9	0	0	0	112.2	I8 S15 V16	I8-L12 HydrophobicContact CG2-CD1 4.02Å; I8-L12 WeakPolarHBondContact O-CG 3.23Å; I8-L12 PolarHBondContact O-N 2.86Å; L12-S15 PolarHBondContact O-N 2.82Å; L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 2.89Å
13	A	66.6	Low	65	Low	56 Å²	56	92 Å²	92	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-44.1	178.3	0	0	0	0	0	112.2	P9 V10 S15 V16 V17	P9-A13 WeakPolarHBondContact O-CB 3.23Å; P9-A13 PolarHBondContact O-N 2.69Å; V10-A13 PolarHBondContact O-N 2.8Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.8Å; A13-V16 PolarHBondContact O-N 3.36Å; A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 3.09Å
14	V	70.6	Confident	65.7	Low	84 Å²	84	92.8 Å²	92.8	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-40	176.2	173.6	0	0	0	0	110.8	V10 V17 V18	V10-V14 HydrophobicContact CG1-CG2 4.44Å; V10-V14 WeakPolarHBondContact O-CB 3.33Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.31Å; V10-V14 PolarHBondContact O-N 2.67Å; V14-V17 PolarHBondContact O-N 3.49Å; V14-V18 HydrophobicContact CG1-CG2 4.25Å; V14-V18 WeakPolarHBondContact O-CB 3.46Å; V14-V18 VanDerWaalsContact O-CG2 3.24Å; V14-V18 WeakPolarHBondContact O-CG2 3.19Å; V14-V18 PolarHBondContact O-N 3.23Å
15	S	67.9	Low	66.1	Low	52 Å²	52	95.1 Å²	95.1	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-43.6	177.9	-56.5	0	0	0	0	112	V11 L12 A13 V18 I19	V11-S15 WeakPolarHBondContact O-CB 3.37Å; V11-S15 PolarHBondContact O-N 3.47Å; V11-S15 PolarHBondContact O-OG 2.85Å; L12-S15 PolarHBondContact O-N 2.82Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.8Å; S15-V18 PolarHBondContact O-N 2.85Å; S15-I19 WeakPolarHBondContact O-CB 3.16Å; S15-I19 WeakPolarHBondContact O-CD1 3.44Å; S15-I19 WeakPolarHBondContact O-CG1 3.23Å; S15-I19 PolarHBondContact O-N 3.44Å
16	V	72.6	Confident	66.3	Low	91 Å²	91	96.9 Å²	96.9	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-65.5	-41.2	177.1	173.1	0	0	0	0	111	L12 A13 I19 T20	L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 2.89Å; A13-V16 PolarHBondContact O-N 3.36Å; V16-I19 PolarHBondContact O-N 2.87Å; V16-T20 VanDerWaalsContact O-CB 3.28Å; V16-T20 WeakPolarHBondContact O-CB 3.28Å; V16-T20 PolarHBondContact O-N 2.79Å; V16-T20 PolarHBondContact O-OG1 2.99Å
17	V	76.5	Confident	66.2	Low	86 Å²	86	92.9 Å²	92.9	52%	0.521	52%	0.52	S	S	.	.	H	α-helix	trans	-64.8	-42.3	177	171.2	0	0	0	0	111.2	A13 V14 T20 L21	A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 3.09Å; V14-V17 PolarHBondContact O-N 3.49Å; V17-T20 PolarHBondContact O-N 3.43Å; V17-L21 HydrophobicContact CG1-CD1 3.82Å; V17-L21 WeakPolarHBondContact O-CB 3.37Å; V17-L21 PolarHBondContact O-N 3.31Å
18	V	74.8	Confident	65.7	Low	73 Å²	73	94.4 Å²	94.4	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-67.5	-41.3	177.4	171.9	0	0	0	0	111.5	V14 S15 T20 L21 L22	V14-V18 HydrophobicContact CG1-CG2 4.25Å; V14-V18 WeakPolarHBondContact O-CB 3.46Å; V14-V18 VanDerWaalsContact O-CG2 3.24Å; V14-V18 WeakPolarHBondContact O-CG2 3.19Å; V14-V18 PolarHBondContact O-N 3.23Å; S15-V18 PolarHBondContact O-N 2.85Å; V18-T20 VanDerWaalsContact C-N 3.34Å; V18-L21 PolarHBondContact O-N 3.31Å; V18-L22 HydrophobicContact CG1-CD1 3.82Å; V18-L22 VanDerWaalsContact O-CB 3.28Å; V18-L22 WeakPolarHBondContact O-CB 3.24Å; V18-L22 WeakPolarHBondContact O-CG 3.44Å; V18-L22 PolarHBondContact O-N 2.82Å
19	I	72.5	Confident	64.9	Low	113 Å²	113	94.3 Å²	94.3	58%	0.579	53%	0.534	S	S	*	.	H	α-helix	trans	-66.2	-38.5	175.3	-69.4	165.4	0	0	0	110.6	S15 V16 L22 Y23	S15-I19 WeakPolarHBondContact O-CB 3.16Å; S15-I19 WeakPolarHBondContact O-CD1 3.44Å; S15-I19 WeakPolarHBondContact O-CG1 3.23Å; S15-I19 PolarHBondContact O-N 3.44Å; V16-I19 PolarHBondContact O-N 2.87Å; I19-L22 PolarHBondContact O-N 3.4Å; I19-Y23 WeakPolarHBondContact O-CB 3.27Å; I19-Y23 PolarHBondContact O-N 3.39Å
20	T	69.6	Low	63.8	Low	65 Å²	65	97.4 Å²	97.4	40%	0.399	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-42.1	177.2	-52	0	0	0	0	110.7	V16 V17 V18 Y23 F24	V16-T20 VanDerWaalsContact O-CB 3.28Å; V16-T20 WeakPolarHBondContact O-CB 3.28Å; V16-T20 PolarHBondContact O-N 2.79Å; V16-T20 PolarHBondContact O-OG1 2.99Å; V17-T20 PolarHBondContact O-N 3.43Å; V18-T20 VanDerWaalsContact C-N 3.34Å; T20-Y23 CarbonylContact O-C 3.59Å; T20-Y23 PolarHBondContact O-N 3.47Å; T20-F24 HydrophobicContact CG2-CD2 3.91Å; T20-F24 HydrophobicContact CG2-CE2 4Å; T20-F24 WeakPolarHBondContact O-CD2 3.34Å; T20-F24 PolarHBondContact O-N 2.65Å
21	L	70.9	Confident	62.4	Low	97 Å²	97	101.6 Å²	101.6	51%	0.508	57%	0.566	S	S	.	*	H	α-helix	trans	-63.5	-42.9	172.8	-86.7	158.3	0	0	0	111.8	V17 V18 Y23 F24 L25	V17-L21 HydrophobicContact CG1-CD1 3.82Å; V17-L21 WeakPolarHBondContact O-CB 3.37Å; V17-L21 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 3.31Å; L21-Y23 VanDerWaalsContact C-N 3.32Å; L21-F24 PolarHBondContact O-N 2.96Å; L21-L25 VanDerWaalsContact O-CB 3.23Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CD1 3.02Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.34Å
22	L	68.1	Low	61	Low	85 Å²	85	100.6 Å²	100.6	45%	0.445	58%	0.575	S	S	.	*	H	α-helix	trans	-64.2	-37.8	173	-81.6	163	0	0	0	111.3	V18 I19 L25 L26	V18-L22 HydrophobicContact CG1-CD1 3.82Å; V18-L22 VanDerWaalsContact O-CB 3.28Å; V18-L22 WeakPolarHBondContact O-CB 3.24Å; V18-L22 WeakPolarHBondContact O-CG 3.44Å; V18-L22 PolarHBondContact O-N 2.82Å; I19-L22 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 2.9Å; L22-L26 HydrophobicContact CB-CD1 4.3Å; L22-L26 HydrophobicContact CD2-CD1 4.17Å; L22-L26 WeakPolarHBondContact O-CA 3.32Å; L22-L26 WeakPolarHBondContact O-CB 3.38Å; L22-L26 WeakPolarHBondContact O-CD1 3.2Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.02Å
23	Y	69.3	Low	60	Low	172 Å²	172	104.8 Å²	104.8	68%	0.675	59%	0.588	S	S	*	*	H	α-helix	trans	-67.7	-34.3	174.3	-172.9	-91.2	0	0	0	111.8	I19 T20 L21 G27	I19-Y23 WeakPolarHBondContact O-CB 3.27Å; I19-Y23 PolarHBondContact O-N 3.39Å; T20-Y23 CarbonylContact O-C 3.59Å; T20-Y23 PolarHBondContact O-N 3.47Å; L21-Y23 VanDerWaalsContact C-N 3.32Å; Y23-G27 WeakPolarHBondContact O-CA 3.16Å; Y23-G27 PolarHBondContact O-N 3.39Å
24	F	64.2	Low	59.3	Low	135 Å²	135	105.1 Å²	105.1	59%	0.592	60%	0.597	S	S	*	*	H	α-helix	trans	-77.6	-31.6	172.9	-90.1	-81.3	0	0	0	113	T20 L21	T20-F24 HydrophobicContact CG2-CD2 3.91Å; T20-F24 HydrophobicContact CG2-CE2 4Å; T20-F24 WeakPolarHBondContact O-CD2 3.34Å; T20-F24 PolarHBondContact O-N 2.65Å; L21-F24 PolarHBondContact O-N 2.96Å
25	L	62	Low	59.2	Low	136 Å²	136	108.7 Å²	108.7	71%	0.712	61%	0.606	S	S	*	*	H	α-helix	trans	-76.8	-34.5	176.2	-73.3	165.6	0	0	0	112.2	L21 L22	L21-L25 VanDerWaalsContact O-CB 3.23Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CD1 3.02Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.34Å; L22-L25 PolarHBondContact O-N 2.9Å
26	L	61.3	Low	59.9	Low	132 Å²	132	106.8 Å²	106.8	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-94.6	-30	178.4	-64.7	163.8	0	0	0	112.4	L22	L22-L26 HydrophobicContact CB-CD1 4.3Å; L22-L26 HydrophobicContact CD2-CD1 4.17Å; L22-L26 WeakPolarHBondContact O-CA 3.32Å; L22-L26 WeakPolarHBondContact O-CB 3.38Å; L22-L26 WeakPolarHBondContact O-CD1 3.2Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.02Å
27	G	49.6	Very low	61.1	Low	36 Å²	36	105.2 Å²	105.2	37%	0.371	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.3	6.2	-174.2	0	0	0	0	0	115.6	Y23	Y23-G27 WeakPolarHBondContact O-CA 3.16Å; Y23-G27 PolarHBondContact O-N 3.39Å
28	N	44.5	Very low	62.1	Low	113 Å²	113	103.6 Å²	103.6	60%	0.604	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	15.4	173.3	-103.5	9.7	0	0	0	114.6
29	S	42.9	Very low	63.2	Low	107 Å²	107	100.3 Å²	100.3	75%	0.748	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	31.5	172.7	-176.5	0	0	0	0	113.6
30	T	35.8	Very low	64.4	Low	132 Å²	132	95.3 Å²	95.3	81%	0.81	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	32.4	156.8	61.4	0	0	0	0	110.9	G32	T30-G32 PolarHBondContact O-N 3.45Å
31	E	36.8	Very low	65.7	Low	167 Å²	167	99.8 Å²	99.8	78%	0.78	55%	0.545	S	S	*	.	S	Bend	trans	-61.3	114.7	151.3	-79.6	-171.3	153	0	0	106.7	K33	E31-K33 PolarHBondContact O-N 3.38Å; E31-K33 VanDerWaalsContact O-N 3.13Å
32	G	39.2	Very low	66.8	Low	71 Å²	71	97.9 Å²	97.9	73%	0.732	54%	0.535	S	S	*	.			trans	-48.9	124.2	-176.9	0	0	0	0	0	109.6	T30 G34	T30-G32 PolarHBondContact O-N 3.45Å; G32-G34 PolarHBondContact O-N 2.97Å
33	K	44.2	Very low	68.1	Low	197 Å²	197	96.9 Å²	96.9	86%	0.857	53%	0.534	S	S	*	.			trans	-43.2	107.6	172	-77	-175.8	177.3	-179.7	0	107.2	E31 K35	E31-K33 PolarHBondContact O-N 3.38Å; E31-K33 VanDerWaalsContact O-N 3.13Å; K33-K35 PolarHBondContact O-N 2.94Å; K33-K35 VanDerWaalsContact O-N 3.14Å
34	G	51.4	Low	69.2	Low	63 Å²	63	93.4 Å²	93.4	65%	0.649	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-52.3	126.1	178.7	0	0	0	0	0	107.3	G32 G36	G32-G34 PolarHBondContact O-N 2.97Å; G34-G36 PolarHBondContact O-N 3.35Å; G34-G36 VanDerWaalsContact O-N 3.14Å
35	K	69.5	Low	70.8	Confident	160 Å²	160	90.7 Å²	90.7	70%	0.696	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-53.5	126.8	175.5	-74.5	-171.7	175.3	-166.8	0	107.1	K33 I74	K33-K35 PolarHBondContact O-N 2.94Å; K33-K35 VanDerWaalsContact O-N 3.14Å; K35-I74 HydrophobicContact CB-CD1 3.9Å; K35-I74 HydrophobicContact CD-CD1 4.08Å; K35-I74 HydrophobicContact CG-CD1 4.29Å
36	G	83	Confident	72.5	Confident	12 Å²	12	88.8 Å²	88.8	12%	0.124	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-56.7	168.9	177.6	0	0	0	0	0	111.9	G34 V38 S72	G34-G36 PolarHBondContact O-N 3.35Å; G34-G36 VanDerWaalsContact O-N 3.14Å; G36-V38 PolarHBondContact O-N 3.34Å; G36-S72 VanDerWaalsContact CA-O 3.29Å; G36-S72 WeakPolarHBondContact CA-O 3.4Å
37	P	96.3	Very high	74.3	Confident	58 Å²	58	84.5 Å²	84.5	38%	0.377	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-53.2	136.8	178.3	22.9	-34.3	0	0	0	111.6	S72 H73 I74	P37-S72 WeakPolarHBondContact CD-O 3.41Å; P37-H73 HydrophobicContact CG-CB 4.49Å; P37-H73 VanDerWaalsContact CG-CE1 3.43Å; P37-H73 WeakPolarHBondContact CG-CE1 3.44Å; P37-H73 WeakPolarHBondContact CG-ND1 3.36Å; P37-H73 CarbonylContact O-C 3.19Å; P37-H73 WeakPolarHBondContact O-CA 3.27Å; P37-H73 WeakPolarHBondContact O-CB 3.37Å; P37-H73 PolarHBondContact O-CD2 3.34Å; P37-I74 PolarHBondContact O-N 2.92Å
38	V	97.8	Very high	76.6	Confident	52 Å²	52	86.2 Å²	86.2	32%	0.315	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-86	132	-176	169.5	0	0	0	0	110.6	G36 K41 I74	G36-V38 PolarHBondContact O-N 3.34Å; V38-K41 WeakPolarHBondContact O-CE 3.2Å; V38-K41 WeakPolarHBondContact O-CG 3.28Å; V38-I74 HydrophobicContact CG2-CD1 3.98Å; V38-I74 HydrophobicContact CG2-CG1 4.01Å
39	T	98.3	Very high	79.2	Confident	4 Å²	4	81 Å²	81	3%	0.025	46%	0.461	C	S	.	.	S	Bend	trans	-74.7	-55.5	176.5	-55	0	0	0	0	111.4	K41 Y47 L49 L68 P69 I74	T39-K41 VanDerWaalsContact C-N 3.34Å; T39-K41 PolarHBondContact O-N 2.55Å; T39-Y47 HydrophobicContact CG2-CD1 4.36Å; T39-Y47 HydrophobicContact CG2-CG 4.39Å; T39-Y47 WeakPolarHBondContact O-CE1 3.08Å; T39-L49 HydrophobicContact CG2-CD2 4.25Å; T39-L68 HydrophobicContact CG2-CD2 4.34Å; T39-P69 HydrophobicContact CG2-CG 4.02Å; T39-P69 VanDerWaalsContact OG1-CD 3.31Å; T39-P69 WeakPolarHBondContact OG1-CD 3.39Å; T39-I74 WeakPolarHBondContact CB-O 3.44Å; T39-I74 PolarHBondContact N-O 2.85Å; T39-I74 PolarHBondContact OG1-O 2.81Å
40	L	97.8	Very high	81.9	Confident	7 Å²	7	78.2 Å²	78.2	4%	0.037	44%	0.44	C	S	.	.			trans	-81.9	72.4	-176	-62.9	-179.9	0	0	0	112	Y47 L75 V83 G148	L40-Y47 HydrophobicContact CD2-CD2 3.59Å; L40-Y47 HydrophobicContact CD2-CE2 3.96Å; L40-Y47 HydrophobicContact CD2-CG 4.36Å; L40-L75 WeakPolarHBondContact CB-O 3Å; L40-L75 HydrophobicContact CD1-CD1 3.82Å; L40-L75 HydrophobicContact CD1-CD2 4.36Å; L40-L75 HydrophobicContact CD1-CG 3.75Å; L40-L75 HydrophobicContact CD2-CD1 4.48Å; L40-L75 HydrophobicContact CG-CD1 3.89Å; L40-L75 HydrophobicContact CG-CG 4.19Å; L40-L75 WeakPolarHBondContact CG-O 3.09Å; L40-L75 PolarHBondContact N-O 2.75Å; L40-V83 HydrophobicContact CD1-CG1 3.65Å; L40-G148 WeakPolarHBondContact CB-O 3.49Å
41	K	96.1	Very high	84.9	Confident	159 Å²	159	71.9 Å²	71.9	69%	0.691	40%	0.401	S	S	*	.			trans	-76.1	-33.5	-178.4	-61.5	-178.3	-178.8	177.6	0	113.2	V38 T39 Y47	V38-K41 WeakPolarHBondContact O-CE 3.2Å; V38-K41 WeakPolarHBondContact O-CG 3.28Å; T39-K41 VanDerWaalsContact C-N 3.34Å; T39-K41 PolarHBondContact O-N 2.55Å; K41-Y47 PolarHBondContact N-OH 3.45Å; K41-Y47 VanDerWaalsContact N-OH 3.13Å
42	D	95.3	Very high	87.8	Confident	57 Å²	57	67.9 Å²	67.9	31%	0.305	38%	0.384	S	S	.	.			trans	-131.5	122.5	-178.9	-175.2	-36.6	0	0	0	110.1	T44 I45 Y47	D42-T44 PolarHBondContact O-N 3.27Å; D42-T44 VanDerWaalsContact O-N 3.12Å; D42-T44 WeakPolarHBondContact OD1-CA 3.46Å; D42-T44 WeakPolarHBondContact OD1-CB 3.3Å; D42-T44 PolarHBondContact OD1-N 3.31Å; D42-T44 PolarHBondContact OD1-OG1 3.39Å; D42-I45 HydrophobicContact CB-CB 4.08Å; D42-I45 HydrophobicContact CB-CD1 3.66Å; D42-I45 HydrophobicContact CB-CG1 3.73Å; D42-I45 PolarHBondContact O-N 2.61Å; D42-Y47 PolarHBondContact N-OH 3.48Å; D42-Y47 VanDerWaalsContact N-OH 3.07Å
43	P	94	Very high	90.7	Very high	64 Å²	64	67.2 Å²	67.2	42%	0.416	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-7.3	-177.4	31.1	-37	0	0	0	115	R147 G148	P43-R147 WeakPolarHBondContact O-CD 3.35Å; P43-R147 WeakPolarHBondContact O-CG 3.39Å; P43-G148 VanDerWaalsContact CA-O 3.27Å; P43-G148 WeakPolarHBondContact CA-O 3.28Å
44	T	94.2	Very high	93.3	Very high	99 Å²	99	61.3 Å²	61.3	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-24.6	176.8	72.9	0	0	0	0	112.7	D42 R147	D42-T44 PolarHBondContact O-N 3.27Å; D42-T44 VanDerWaalsContact O-N 3.12Å; D42-T44 WeakPolarHBondContact OD1-CA 3.46Å; D42-T44 WeakPolarHBondContact OD1-CB 3.3Å; D42-T44 PolarHBondContact OD1-N 3.31Å; D42-T44 PolarHBondContact OD1-OG1 3.39Å; T44-R147 WeakPolarHBondContact O-CD 3.44Å
45	I	97.5	Very high	95.4	Very high	79 Å²	79	62.6 Å²	62.6	41%	0.405	33%	0.332	S	S	.	.	S	Bend	trans	-79.1	145.7	-178.9	-63.6	-178.5	0	0	0	110.5	D42 Y47 R147	D42-I45 HydrophobicContact CB-CB 4.08Å; D42-I45 HydrophobicContact CB-CD1 3.66Å; D42-I45 HydrophobicContact CB-CG1 3.73Å; D42-I45 PolarHBondContact O-N 2.61Å; I45-Y47 HydrophobicContact CB-CE2 4.03Å; I45-Y47 HydrophobicContact CG2-CD2 4.48Å; I45-Y47 HydrophobicContact CG2-CE1 4.2Å; I45-Y47 HydrophobicContact CG2-CE2 4Å; I45-R147 WeakPolarHBondContact O-CG 3.46Å
46	K	98.1	Very high	96.6	Very high	95 Å²	95	61.6 Å²	61.6	41%	0.413	33%	0.33	S	S	.	.			trans	-97.8	133.2	173	-65.6	178.1	171	-162.7	0	110.1	S86 D145 F146	K46-S86 WeakPolarHBondContact CE-OG 3.32Å; K46-S86 PolarHBondContact NZ-OG 3.43Å; K46-S86 VanDerWaalsContact NZ-OG 3.07Å; K46-D145 HydrophobicContact CB-CB 4.15Å; K46-D145 HydrophobicContact CD-CB 4.1Å; K46-D145 WeakPolarHBondContact CD-OD2 3.33Å; K46-D145 HydrophobicContact CG-CB 4.38Å; K46-D145 IonicContact NZ-OD2 3.49Å; K46-D145 PolarHBondContact NZ-OD2 3.14Å; K46-F146 CarbonylContact C-O 3.58Å; K46-F146 WeakPolarHBondContact CA-O 3.35Å
47	Y	98.5	Very high	96.9	Very high	43 Å²	43	64.8 Å²	64.8	17%	0.169	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.4	177.9	-59.5	-88.9	0	0	0	107.9	T39 L40 K41 D42 I45 L49 F146	T39-Y47 HydrophobicContact CG2-CD1 4.36Å; T39-Y47 HydrophobicContact CG2-CG 4.39Å; T39-Y47 WeakPolarHBondContact O-CE1 3.08Å; L40-Y47 HydrophobicContact CD2-CD2 3.59Å; L40-Y47 HydrophobicContact CD2-CE2 3.96Å; L40-Y47 HydrophobicContact CD2-CG 4.36Å; K41-Y47 PolarHBondContact N-OH 3.45Å; K41-Y47 VanDerWaalsContact N-OH 3.13Å; D42-Y47 PolarHBondContact N-OH 3.48Å; D42-Y47 VanDerWaalsContact N-OH 3.07Å; I45-Y47 HydrophobicContact CB-CE2 4.03Å; I45-Y47 HydrophobicContact CG2-CD2 4.48Å; I45-Y47 HydrophobicContact CG2-CE1 4.2Å; I45-Y47 HydrophobicContact CG2-CE2 4Å; Y47-L49 PolarHBondContact O-N 3.25Å; Y47-F146 PolarHBondContact N-O 3.14Å; Y47-F146 PolarHBondContact O-N 3.13Å
48	S	98.4	Very high	96.5	Very high	72 Å²	72	63.8 Å²	63.8	50%	0.503	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.3	178.8	-153	0	0	0	0	109.1	S143	S48-S143 WeakPolarHBondContact OG-CB 3.43Å
49	L	98.8	Very high	96.1	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.7	-176.9	-56.8	-174.2	0	0	0	110.4	T39 Y47 F66 L68 V110 S143 I144 F146	T39-L49 HydrophobicContact CG2-CD2 4.25Å; Y47-L49 PolarHBondContact O-N 3.25Å; L49-F66 HydrophobicContact CB-CB 3.99Å; L49-L68 HydrophobicContact CD1-CD2 3.94Å; L49-V110 HydrophobicContact CD1-CG1 4.02Å; L49-S143 VanDerWaalsContact O-CA 3.28Å; L49-S143 WeakPolarHBondContact O-CA 3.38Å; L49-I144 PolarHBondContact N-O 3.12Å; L49-I144 PolarHBondContact O-N 3.43Å; L49-I144 VanDerWaalsContact O-N 3.08Å; L49-F146 HydrophobicContact CB-CD2 3.85Å; L49-F146 HydrophobicContact CB-CE2 3.94Å; L49-F146 HydrophobicContact CD1-CB 4.15Å; L49-F146 HydrophobicContact CD1-CD1 4.04Å; L49-F146 HydrophobicContact CD1-CD2 3.63Å; L49-F146 HydrophobicContact CD1-CE1 4.35Å; L49-F146 HydrophobicContact CD1-CE2 3.96Å; L49-F146 HydrophobicContact CD1-CG 3.68Å; L49-F146 HydrophobicContact CD1-CZ 4.31Å; L49-F146 HydrophobicContact CG-CB 4.41Å; L49-F146 HydrophobicContact CG-CD2 3.78Å; L49-F146 HydrophobicContact CG-CE2 4.28Å; L49-F146 HydrophobicContact CG-CG 4.17Å
50	P	98.8	Very high	95.8	Very high	47 Å²	47	67.9 Å²	67.9	31%	0.305	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.7	-179.7	30.8	-35.1	0	0	0	111.3	I52 F66 G67 D142 S143	P50-I52 HydrophobicContact CG-CG2 4.31Å; P50-I52 PolarHBondContact O-N 3.2Å; P50-F66 CarbonylContact O-C 3.52Å; P50-F66 WeakPolarHBondContact O-CA 3.45Å; P50-G67 PolarHBondContact O-N 2.87Å; P50-D142 CarbonylContact C-O 3.51Å; P50-D142 WeakPolarHBondContact CA-O 3.3Å; P50-S143 WeakPolarHBondContact CA-OG 3.31Å
51	L	98.9	Very high	95.5	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	113	167.9	179.3	66.5	0	0	0	108.6	S53 K54 F64 F66 M138 I140 G141 D142	L51-S53 VanDerWaalsContact CD1-O 3.24Å; L51-S53 WeakPolarHBondContact CD1-O 3.34Å; L51-K54 HydrophobicContact CD2-CB 4.48Å; L51-K54 HydrophobicContact CD2-CD 4.49Å; L51-F64 HydrophobicContact CD1-CB 3.94Å; L51-F64 HydrophobicContact CD1-CD1 3.88Å; L51-F64 HydrophobicContact CD1-CG 4.43Å; L51-F64 HydrophobicContact CD2-CD1 4.35Å; L51-F66 HydrophobicContact CB-CD1 4.12Å; L51-F66 HydrophobicContact CB-CE1 3.92Å; L51-F66 HydrophobicContact CD1-CD1 4.39Å; L51-F66 HydrophobicContact CD1-CE1 4.01Å; L51-F66 HydrophobicContact CD1-CE2 4.42Å; L51-F66 HydrophobicContact CD1-CZ 4.04Å; L51-M138 HydrophobicContact CB-CE 4.11Å; L51-M138 HydrophobicContact CD2-CB 3.75Å; L51-I140 HydrophobicContact CD2-CD1 4.23Å; L51-I140 HydrophobicContact CG-CD1 4.06Å; L51-G141 PolarHBondContact O-N 2.86Å; L51-D142 WeakPolarHBondContact CB-O 3.45Å; L51-D142 PolarHBondContact N-O 2.96Å
52	I	98.7	Very high	95.5	Very high	83 Å²	83	60.9 Å²	60.9	43%	0.426	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-19.8	-177.9	61.8	169.8	0	0	0	112.7	P50 R65 F109	P50-I52 HydrophobicContact CG-CG2 4.31Å; P50-I52 PolarHBondContact O-N 3.2Å; I52-R65 HydrophobicContact CD1-CG 3.92Å; I52-R65 HydrophobicContact CG1-CB 4.23Å; I52-R65 HydrophobicContact CG1-CG 3.77Å; I52-R65 VanDerWaalsContact CG1-O 3.31Å; I52-R65 WeakPolarHBondContact CG1-O 3.5Å; I52-R65 PolarHBondContact N-O 3.2Å; I52-F109 HydrophobicContact CD1-CB 4.42Å
53	S	98.6	Very high	95.6	Very high	56 Å²	56	60.7 Å²	60.7	39%	0.392	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.2	172.8	-177.4	0	0	0	0	111.7	L51 R65	L51-S53 VanDerWaalsContact CD1-O 3.24Å; L51-S53 WeakPolarHBondContact CD1-O 3.34Å; S53-R65 PolarHBondContact N-O 3.26Å; S53-R65 PolarHBondContact O-N 3.3Å
54	K	98.4	Very high	95.8	Very high	74 Å²	74	57.7 Å²	57.7	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	118.2	176.8	-178.3	167.1	58.2	179.7	0	108.5	L51 K62 K63 F64 D136 M138 I140	L51-K54 HydrophobicContact CD2-CB 4.48Å; L51-K54 HydrophobicContact CD2-CD 4.49Å; K54-K62 HydrophobicContact CG-CD 4.47Å; K54-K63 WeakPolarHBondContact CA-O 3.21Å; K54-F64 HydrophobicContact CD-CD1 3.99Å; K54-F64 HydrophobicContact CD-CE1 3.45Å; K54-F64 VanDerWaalsContact CD-CE1 3.45Å; K54-F64 HydrophobicContact CD-CZ 4.24Å; K54-F64 HydrophobicContact CG-CD1 4.08Å; K54-F64 HydrophobicContact CG-CE1 3.89Å; K54-D136 PolarHBondContact NZ-O 2.89Å; K54-M138 PolarHBondContact NZ-O 3.39Å; K54-I140 HydrophobicContact CB-CD1 4.17Å
55	Q	96.8	Very high	96.1	Very high	89 Å²	89	56.5 Å²	56.5	42%	0.416	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130	-176.8	-178.9	-176	0.2	0	0	110	I57 K62 K63	Q55-I57 HydrophobicContact CG-CD1 4.13Å; Q55-K62 CarbonylContact O-C 3.51Å; Q55-K62 VanDerWaalsContact O-CA 3.23Å; Q55-K62 WeakPolarHBondContact O-CA 3.39Å; Q55-K62 WeakPolarHBondContact O-CB 3.35Å; Q55-K63 HydrophobicContact CB-CB 4.39Å; Q55-K63 PolarHBondContact N-O 3.28Å; Q55-K63 PolarHBondContact O-N 3.36Å
56	E	94.8	Very high	96.1	Very high	140 Å²	140	52.7 Å²	52.7	65%	0.654	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.6	168.4	-75.5	179.6	173.7	0	0	110.4	K62	E56-K62 HydrophobicContact CG-CD 4.08Å; E56-K62 HydrophobicContact CG-CG 4.19Å; E56-K62 IonicContact OE1-NZ 3.1Å; E56-K62 PolarHBondContact OE1-NZ 3.23Å; E56-K62 VanDerWaalsContact OE1-NZ 3.1Å
57	I	88.9	Confident	96.1	Very high	78 Å²	78	48.5 Å²	48.5	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-40.7	178.8	-56.4	-59.8	0	0	0	109.9	Q55 T61 K63	Q55-I57 HydrophobicContact CG-CD1 4.13Å; I57-T61 HydrophobicContact CB-CG2 4.03Å; I57-T61 WeakPolarHBondContact CB-O 3.42Å; I57-T61 HydrophobicContact CG2-CG2 4.33Å; I57-T61 PolarHBondContact N-O 3.44Å; I57-K63 HydrophobicContact CD1-CB 4Å; I57-K63 HydrophobicContact CG1-CB 4.03Å
58	S	87.3	Confident	96.2	Very high	38 Å²	38	47.2 Å²	47.2	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-176.7	173.4	81	0	0	0	0	109.8	D60 T61	S58-D60 PolarHBondContact O-N 2.99Å; S58-D60 PolarHBondContact OG-N 3.04Å; S58-D60 PolarHBondContact OG-OD1 3.3Å; S58-T61 PolarHBondContact N-O 3.06Å; S58-T61 VanDerWaalsContact N-O 3.11Å; S58-T61 PolarHBondContact O-N 2.75Å; S58-T61 VanDerWaalsContact OG-CB 3.28Å; S58-T61 WeakPolarHBondContact OG-CB 3.34Å; S58-T61 PolarHBondContact OG-N 3.34Å; S58-T61 PolarHBondContact OG-OG1 3.28Å
59	H	89	Confident	96.2	Very high	126 Å²	126	47.7 Å²	47.7	58%	0.583	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-26.4	178.1	74.4	-68.1	0	0	0	114.7
60	D	92.1	Very high	96.1	Very high	16 Å²	16	49.6 Å²	49.6	9%	0.086	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138	17.4	-178.7	71.4	-1.3	0	0	0	112.9	S58 K115 I116 Y118	S58-D60 PolarHBondContact O-N 2.99Å; S58-D60 PolarHBondContact OG-N 3.04Å; S58-D60 PolarHBondContact OG-OD1 3.3Å; D60-K115 VanDerWaalsContact CG-CE 3.42Å; D60-K115 CarbonylContact O-C 3.45Å; D60-K115 VanDerWaalsContact O-CA 3.3Å; D60-K115 WeakPolarHBondContact O-CA 3.47Å; D60-K115 WeakPolarHBondContact OD2-CE 3.42Å; D60-K115 IonicContact OD2-NZ 3.46Å; D60-K115 PolarHBondContact OD2-NZ 3.43Å; D60-I116 PolarHBondContact O-N 2.68Å; D60-Y118 HydrophobicContact CB-CD2 4.45Å; D60-Y118 HydrophobicContact CB-CE2 4.14Å
61	T	92.4	Very high	96	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.3	-179.9	-60.9	0	0	0	0	110.1	I57 S58 V113 V114 L221	I57-T61 HydrophobicContact CB-CG2 4.03Å; I57-T61 WeakPolarHBondContact CB-O 3.42Å; I57-T61 HydrophobicContact CG2-CG2 4.33Å; I57-T61 PolarHBondContact N-O 3.44Å; S58-T61 PolarHBondContact N-O 3.06Å; S58-T61 VanDerWaalsContact N-O 3.11Å; S58-T61 PolarHBondContact O-N 2.75Å; S58-T61 VanDerWaalsContact OG-CB 3.28Å; S58-T61 WeakPolarHBondContact OG-CB 3.34Å; S58-T61 PolarHBondContact OG-N 3.34Å; S58-T61 PolarHBondContact OG-OG1 3.28Å; T61-V113 HydrophobicContact CG2-CG1 3.68Å; T61-V114 WeakPolarHBondContact CA-O 3.15Å; T61-L221 HydrophobicContact CG2-CD2 3.45Å; T61-L221 VanDerWaalsContact CG2-CD2 3.45Å; T61-L221 WeakPolarHBondContact OG1-CD2 3.11Å
62	K	96.1	Very high	95.9	Very high	18 Å²	18	58.6 Å²	58.6	8%	0.078	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147	178.5	-54.9	-169.1	-174.1	-165.4	0	111	K54 Q55 E56 F64 V114 I116 D136	K54-K62 HydrophobicContact CG-CD 4.47Å; Q55-K62 CarbonylContact O-C 3.51Å; Q55-K62 VanDerWaalsContact O-CA 3.23Å; Q55-K62 WeakPolarHBondContact O-CA 3.39Å; Q55-K62 WeakPolarHBondContact O-CB 3.35Å; E56-K62 HydrophobicContact CG-CD 4.08Å; E56-K62 HydrophobicContact CG-CG 4.19Å; E56-K62 IonicContact OE1-NZ 3.1Å; E56-K62 PolarHBondContact OE1-NZ 3.23Å; E56-K62 VanDerWaalsContact OE1-NZ 3.1Å; K62-F64 HydrophobicContact CB-CD2 4.29Å; K62-F64 HydrophobicContact CB-CE2 3.59Å; K62-F64 HydrophobicContact CB-CZ 3.85Å; K62-F64 HydrophobicContact CD-CZ 4.39Å; K62-V114 PolarHBondContact N-O 3.16Å; K62-V114 PolarHBondContact O-N 3.27Å; K62-I116 HydrophobicContact CD-CG1 4.49Å; K62-I116 HydrophobicContact CG-CG1 4.27Å; K62-D136 VanDerWaalsContact CD-OD1 3.23Å; K62-D136 WeakPolarHBondContact CD-OD1 3.38Å; K62-D136 WeakPolarHBondContact CE-OD1 3.45Å; K62-D136 IonicContact NZ-OD1 2.67Å; K62-D136 PolarHBondContact NZ-OD1 3.45Å; K62-D136 IonicContact NZ-OD2 3.63Å
63	K	97.3	Very high	95.9	Very high	53 Å²	53	56 Å²	56	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.6	168.1	-174.9	179.1	66.2	-179.3	0	108.5	K54 Q55 I57 D111 L112 V113	K54-K63 WeakPolarHBondContact CA-O 3.21Å; Q55-K63 HydrophobicContact CB-CB 4.39Å; Q55-K63 PolarHBondContact N-O 3.28Å; Q55-K63 PolarHBondContact O-N 3.36Å; I57-K63 HydrophobicContact CD1-CB 4Å; I57-K63 HydrophobicContact CG1-CB 4.03Å; K63-D111 HydrophobicContact CD-CB 4.4Å; K63-D111 HydrophobicContact CG-CB 4.36Å; K63-L112 CarbonylContact C-O 3.53Å; K63-L112 WeakPolarHBondContact CA-O 3.46Å; K63-V113 HydrophobicContact CB-CG2 4.14Å; K63-V113 HydrophobicContact CG-CG2 4.05Å
64	F	98.8	Very high	95.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.1	177.2	-61.6	-94.5	0	0	0	108.6	L51 K54 K62 F66 D111 L112 V114 I116 L135	L51-F64 HydrophobicContact CD1-CB 3.94Å; L51-F64 HydrophobicContact CD1-CD1 3.88Å; L51-F64 HydrophobicContact CD1-CG 4.43Å; L51-F64 HydrophobicContact CD2-CD1 4.35Å; K54-F64 HydrophobicContact CD-CD1 3.99Å; K54-F64 HydrophobicContact CD-CE1 3.45Å; K54-F64 VanDerWaalsContact CD-CE1 3.45Å; K54-F64 HydrophobicContact CD-CZ 4.24Å; K54-F64 HydrophobicContact CG-CD1 4.08Å; K54-F64 HydrophobicContact CG-CE1 3.89Å; K62-F64 HydrophobicContact CB-CD2 4.29Å; K62-F64 HydrophobicContact CB-CE2 3.59Å; K62-F64 HydrophobicContact CB-CZ 3.85Å; K62-F64 HydrophobicContact CD-CZ 4.39Å; F64-F66 HydrophobicContact CB-CD2 4.35Å; F64-F66 HydrophobicContact CB-CE2 3.51Å; F64-F66 HydrophobicContact CB-CZ 3.97Å; F64-D111 WeakPolarHBondContact O-CA 3.19Å; F64-L112 PolarHBondContact N-O 2.81Å; F64-L112 PolarHBondContact O-N 3.29Å; F64-V114 HydrophobicContact CD2-CB 4.09Å; F64-V114 HydrophobicContact CD2-CG2 4Å; F64-V114 HydrophobicContact CE2-CB 3.87Å; F64-V114 HydrophobicContact CE2-CG2 4.25Å; F64-I116 HydrophobicContact CE2-CD1 4.06Å; F64-I116 HydrophobicContact CZ-CD1 4.04Å; F64-L135 HydrophobicContact CE1-CB 3.98Å; F64-L135 WeakPolarHBondContact CE1-O 3.16Å; F64-L135 HydrophobicContact CE2-CB 4.35Å; F64-L135 HydrophobicContact CZ-CB 3.89Å
65	R	98.9	Very high	95.9	Very high	74 Å²	74	50.1 Å²	50.1	28%	0.279	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.4	175.1	-176.2	166.9	-73.2	-164.3	-7.3	109.7	I52 S53 F109 V110 D111	I52-R65 HydrophobicContact CD1-CG 3.92Å; I52-R65 HydrophobicContact CG1-CB 4.23Å; I52-R65 HydrophobicContact CG1-CG 3.77Å; I52-R65 VanDerWaalsContact CG1-O 3.31Å; I52-R65 WeakPolarHBondContact CG1-O 3.5Å; I52-R65 PolarHBondContact N-O 3.2Å; S53-R65 PolarHBondContact N-O 3.26Å; S53-R65 PolarHBondContact O-N 3.3Å; R65-F109 HydrophobicContact CG-CB 3.7Å; R65-F109 HydrophobicContact CG-CD2 3.94Å; R65-F109 HydrophobicContact CG-CG 4.03Å; R65-F109 VanDerWaalsContact CZ-CE2 3.43Å; R65-F109 VanDerWaalsContact NE-CD2 3.34Å; R65-V110 WeakPolarHBondContact CA-O 3.47Å; R65-D111 WeakPolarHBondContact CA-OD1 3.44Å; R65-D111 WeakPolarHBondContact CB-OD1 3.47Å; R65-D111 WeakPolarHBondContact CG-OD1 3.32Å; R65-D111 IonicContact CZ-OD1 3.61Å; R65-D111 IonicContact CZ-OD2 3.53Å; R65-D111 IonicContact NE-OD1 2.67Å; R65-D111 PolarHBondContact NE-OD1 2.67Å; R65-D111 IonicContact NE-OD2 2.77Å; R65-D111 PolarHBondContact NE-OD2 3.28Å; R65-D111 IonicContact NH2-OD1 2.75Å; R65-D111 IonicContact NH2-OD2 3.6Å; R65-D111 PolarHBondContact NH2-OD2 3.02Å
66	F	98.9	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.6	175.5	-58.6	-95.1	0	0	0	110.5	L49 P50 L51 F64 F109 V110 L112 L135 M138 I144 F146	L49-F66 HydrophobicContact CB-CB 3.99Å; P50-F66 CarbonylContact O-C 3.52Å; P50-F66 WeakPolarHBondContact O-CA 3.45Å; L51-F66 HydrophobicContact CB-CD1 4.12Å; L51-F66 HydrophobicContact CB-CE1 3.92Å; L51-F66 HydrophobicContact CD1-CD1 4.39Å; L51-F66 HydrophobicContact CD1-CE1 4.01Å; L51-F66 HydrophobicContact CD1-CE2 4.42Å; L51-F66 HydrophobicContact CD1-CZ 4.04Å; F64-F66 HydrophobicContact CB-CD2 4.35Å; F64-F66 HydrophobicContact CB-CE2 3.51Å; F64-F66 HydrophobicContact CB-CZ 3.97Å; F66-F109 CarbonylContact O-C 3.55Å; F66-F109 WeakPolarHBondContact O-CA 3.38Å; F66-F109 WeakPolarHBondContact O-CB 3.36Å; F66-V110 HydrophobicContact CB-CG1 3.82Å; F66-V110 PolarHBondContact N-O 3.07Å; F66-V110 PolarHBondContact O-N 2.89Å; F66-L112 HydrophobicContact CD2-CD1 4.47Å; F66-L112 HydrophobicContact CD2-CG 4.48Å; F66-L112 HydrophobicContact CE2-CD1 3.92Å; F66-L112 HydrophobicContact CE2-CG 4.22Å; F66-L135 HydrophobicContact CZ-CD2 4.05Å; F66-M138 HydrophobicContact CE1-CE 4.1Å; F66-M138 HydrophobicContact CE1-SD 4.47Å; F66-I144 HydrophobicContact CD1-CG2 4Å; F66-I144 HydrophobicContact CE1-CG2 3.42Å; F66-I144 VanDerWaalsContact CE1-CG2 3.42Å; F66-I144 HydrophobicContact CZ-CG2 3.94Å; F66-F146 HydrophobicContact CB-CE2 4.2Å; F66-F146 HydrophobicContact CB-CZ 4.14Å; F66-F146 AromaticContact CD1-CE2 3.92Å; F66-F146 HydrophobicContact CD1-CE2 3.92Å; F66-F146 HydrophobicContact CD1-CZ 4.29Å; F66-F146 HydrophobicContact CD2-CE2 4.04Å; F66-F146 AromaticContact CD2-CZ 3.55Å; F66-F146 HydrophobicContact CD2-CZ 3.55Å; F66-F146 HydrophobicContact CE1-CE2 4.3Å; F66-F146 HydrophobicContact CE2-CE2 4.39Å; F66-F146 AromaticContact CE2-CZ 3.97Å; F66-F146 HydrophobicContact CE2-CZ 3.97Å; F66-F146 AromaticContact CG-CE2 3.78Å; F66-F146 HydrophobicContact CG-CE2 3.78Å; F66-F146 AromaticContact CG-CZ 3.73Å; F66-F146 HydrophobicContact CG-CZ 3.73Å
67	G	98.8	Very high	96.1	Very high	7 Å²	7	40.2 Å²	40.2	7%	0.072	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.5	176.3	0	0	0	0	0	111.3	P50	P50-G67 PolarHBondContact O-N 2.87Å
68	L	98.8	Very high	96.5	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.079	21%	0.208	C	C	.	.			trans	-85.1	169.3	169.3	-60.6	-178.5	0	0	0	110.2	T39 L49 S70 H73 I74 L75 G108 V110	T39-L68 HydrophobicContact CG2-CD2 4.34Å; L49-L68 HydrophobicContact CD1-CD2 3.94Å; L68-S70 PolarHBondContact O-N 3.33Å; L68-H73 HydrophobicContact CB-CB 3.75Å; L68-H73 HydrophobicContact CD1-CB 4.22Å; L68-H73 VanDerWaalsContact CD1-O 3.3Å; L68-H73 WeakPolarHBondContact CD1-O 3.28Å; L68-I74 VanDerWaalsContact CD1-C 3.46Å; L68-L75 HydrophobicContact CD2-CD1 4.03Å; L68-G108 PolarHBondContact N-O 3.31Å; L68-V110 HydrophobicContact CD2-CB 4.39Å; L68-V110 HydrophobicContact CD2-CG1 4.14Å
69	P	98.3	Very high	97	Very high	83 Å²	83	38 Å²	38	54%	0.539	20%	0.203	S	C	.	.	S	Bend	trans	-58.6	-22.6	-173.8	-26.9	35.4	0	0	0	115.6	T39	T39-P69 HydrophobicContact CG2-CG 4.02Å; T39-P69 VanDerWaalsContact OG1-CD 3.31Å; T39-P69 WeakPolarHBondContact OG1-CD 3.39Å
70	S	97.9	Very high	97.4	Very high	44 Å²	44	32 Å²	32	31%	0.308	18%	0.176	S	C	.	.	S	Bend	trans	-151.3	165.4	166.6	72.4	0	0	0	0	110.2	L68 S72 H73 G108	L68-S70 PolarHBondContact O-N 3.33Å; S70-S72 PolarHBondContact O-N 2.89Å; S70-S72 VanDerWaalsContact O-N 3.11Å; S70-S72 PolarHBondContact OG-N 3.1Å; S70-S72 PolarHBondContact OG-OG 3.27Å; S70-H73 PolarHBondContact N-ND1 3.3Å; S70-H73 WeakPolarHBondContact O-CB 3.23Å; S70-H73 PolarHBondContact O-N 3.29Å; S70-H73 PolarHBondContact OG-N 3.43Å; S70-H73 PolarHBondContact OG-ND1 3.17Å; S70-G108 WeakPolarHBondContact O-CA 3.37Å
71	E	96.8	Very high	97.7	Very high	179 Å²	179	32.3 Å²	32.3	84%	0.836	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.1	176.3	-63.4	-175.9	169.3	0	0	113.7	Q107 G108	E71-Q107 CarbonylContact O-C 3.56Å; E71-Q107 VanDerWaalsContact O-CB 3.27Å; E71-Q107 WeakPolarHBondContact O-CB 3.41Å; E71-G108 WeakPolarHBondContact O-CA 3.35Å; E71-G108 PolarHBondContact O-N 3.09Å; E71-G108 VanDerWaalsContact O-N 3.14Å
72	S	97.1	Very high	98	Very high	56 Å²	56	33 Å²	33	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.1	176.6	58.3	0	0	0	0	113.9	G36 P37 S70	G36-S72 VanDerWaalsContact CA-O 3.29Å; G36-S72 WeakPolarHBondContact CA-O 3.4Å; P37-S72 WeakPolarHBondContact CD-O 3.41Å; S70-S72 PolarHBondContact O-N 2.89Å; S70-S72 VanDerWaalsContact O-N 3.11Å; S70-S72 PolarHBondContact OG-N 3.1Å; S70-S72 PolarHBondContact OG-OG 3.27Å
73	H	98.3	Very high	98.2	Very high	28 Å²	28	32.1 Å²	32.1	13%	0.13	18%	0.176	C	C	.	.			trans	-67.3	148.4	179.3	-87.4	73	0	0	0	111.3	P37 L68 S70 Q107 G108	P37-H73 HydrophobicContact CG-CB 4.49Å; P37-H73 VanDerWaalsContact CG-CE1 3.43Å; P37-H73 WeakPolarHBondContact CG-CE1 3.44Å; P37-H73 WeakPolarHBondContact CG-ND1 3.36Å; P37-H73 CarbonylContact O-C 3.19Å; P37-H73 WeakPolarHBondContact O-CA 3.27Å; P37-H73 WeakPolarHBondContact O-CB 3.37Å; P37-H73 PolarHBondContact O-CD2 3.34Å; L68-H73 HydrophobicContact CB-CB 3.75Å; L68-H73 HydrophobicContact CD1-CB 4.22Å; L68-H73 VanDerWaalsContact CD1-O 3.3Å; L68-H73 WeakPolarHBondContact CD1-O 3.28Å; S70-H73 PolarHBondContact N-ND1 3.3Å; S70-H73 WeakPolarHBondContact O-CB 3.23Å; S70-H73 PolarHBondContact O-N 3.29Å; S70-H73 PolarHBondContact OG-N 3.43Å; S70-H73 PolarHBondContact OG-ND1 3.17Å; H73-Q107 CarbonylContact O-C 3.5Å; H73-Q107 WeakPolarHBondContact O-CA 3.43Å; H73-G108 PolarHBondContact O-N 2.95Å
74	I	98.3	Very high	98.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-108.3	163.2	161.6	61.3	168.7	0	0	0	109.2	K35 P37 V38 T39 L68 D104 Q107	K35-I74 HydrophobicContact CB-CD1 3.9Å; K35-I74 HydrophobicContact CD-CD1 4.08Å; K35-I74 HydrophobicContact CG-CD1 4.29Å; P37-I74 PolarHBondContact O-N 2.92Å; V38-I74 HydrophobicContact CG2-CD1 3.98Å; V38-I74 HydrophobicContact CG2-CG1 4.01Å; T39-I74 WeakPolarHBondContact CB-O 3.44Å; T39-I74 PolarHBondContact N-O 2.85Å; T39-I74 PolarHBondContact OG1-O 2.81Å; L68-I74 VanDerWaalsContact CD1-C 3.46Å; I74-D104 HydrophobicContact CB-CB 4.4Å; I74-D104 HydrophobicContact CD1-CB 3.92Å; I74-D104 WeakPolarHBondContact CG2-O 3.42Å; I74-Q107 HydrophobicContact CG2-CG 4.13Å
75	L	98.3	Very high	98.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	18%	0.175	C	C	.	.			trans	-67.5	-43.1	178.3	-174.2	64.6	0	0	0	111	L40 L68 L77 V83 P100 V110	L40-L75 WeakPolarHBondContact CB-O 3Å; L40-L75 HydrophobicContact CD1-CD1 3.82Å; L40-L75 HydrophobicContact CD1-CD2 4.36Å; L40-L75 HydrophobicContact CD1-CG 3.75Å; L40-L75 HydrophobicContact CD2-CD1 4.48Å; L40-L75 HydrophobicContact CG-CD1 3.89Å; L40-L75 HydrophobicContact CG-CG 4.19Å; L40-L75 WeakPolarHBondContact CG-O 3.09Å; L40-L75 PolarHBondContact N-O 2.75Å; L68-L75 HydrophobicContact CD2-CD1 4.03Å; L75-L77 HydrophobicContact CD2-CB 3.83Å; L75-L77 HydrophobicContact CD2-CD2 4.04Å; L75-L77 HydrophobicContact CG-CB 4.22Å; L75-V83 HydrophobicContact CD2-CG1 4.26Å; L75-P100 HydrophobicContact CD2-CG 3.84Å; L75-V110 HydrophobicContact CD1-CB 4.36Å; L75-V110 HydrophobicContact CD1-CG1 4.44Å; L75-V110 HydrophobicContact CD1-CG2 4.49Å; L75-V110 HydrophobicContact CD2-CB 4.27Å; L75-V110 HydrophobicContact CD2-CG2 3.68Å
76	G	97.7	Very high	98.2	Very high	11 Å²	11	29 Å²	29	11%	0.113	16%	0.164	C	C	.	.			trans	82.3	46.6	-172.9	0	0	0	0	0	112	P78 D104	G76-P78 WeakPolarHBondContact O-CD 3.37Å; G76-D104 WeakPolarHBondContact CA-OD1 3.42Å; G76-D104 WeakPolarHBondContact CA-OD2 3.28Å; G76-D104 PolarHBondContact N-OD1 2.76Å
77	L	98.1	Very high	98.1	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.058	17%	0.168	C	C	.	.			trans	-109.8	107.5	-177.8	-176	65.4	0	0	0	110.8	L75 V79 Q81 V83 P100 D104 P149	L75-L77 HydrophobicContact CD2-CB 3.83Å; L75-L77 HydrophobicContact CD2-CD2 4.04Å; L75-L77 HydrophobicContact CG-CB 4.22Å; L77-V79 PolarHBondContact O-N 3.46Å; L77-Q81 HydrophobicContact CD1-CB 3.77Å; L77-V83 HydrophobicContact CD1-CG1 4.34Å; L77-P100 HydrophobicContact CD2-CB 4.42Å; L77-P100 HydrophobicContact CD2-CG 3.59Å; L77-D104 PolarHBondContact N-OD1 3.26Å; L77-D104 VanDerWaalsContact N-OD1 3.13Å; L77-D104 PolarHBondContact N-OD2 2.64Å; L77-P149 HydrophobicContact CD1-CB 3.54Å
78	P	97.8	Very high	98	Very high	44 Å²	44	36.9 Å²	36.9	29%	0.286	20%	0.198	S	C	.	.			trans	-56.6	137.5	172.4	-25.8	36	0	0	0	111.9	G76 G80 Q81 P149 I154	G76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-G80 PolarHBondContact O-N 2.89Å; P78-Q81 HydrophobicContact CB-CG 4.41Å; P78-Q81 VanDerWaalsContact CG-OE1 3.23Å; P78-Q81 WeakPolarHBondContact O-CB 3.47Å; P78-Q81 PolarHBondContact O-N 2.87Å; P78-P149 HydrophobicContact CG-CG 4.48Å; P78-I154 HydrophobicContact CB-CD1 4.3Å; P78-I154 HydrophobicContact CB-CG1 4.21Å; P78-I154 HydrophobicContact CB-CG2 3.93Å
79	V	98.3	Very high	97.8	Very high	25 Å²	25	37.3 Å²	37.3	15%	0.152	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.3	178.6	177.3	0	0	0	0	109.5	L77 I154 Y155 Q193 L194 R197	L77-V79 PolarHBondContact O-N 3.46Å; V79-I154 CarbonylContact O-C 3.59Å; V79-I154 VanDerWaalsContact O-CA 3.31Å; V79-I154 WeakPolarHBondContact O-CA 3.2Å; V79-Y155 HydrophobicContact CG1-CD1 4.32Å; V79-Y155 PolarHBondContact O-N 2.77Å; V79-Q193 HydrophobicContact CG1-CG 4.18Å; V79-L194 HydrophobicContact CG1-CD2 3.98Å; V79-R197 HydrophobicContact CB-CG 4.4Å; V79-R197 HydrophobicContact CG1-CB 3.9Å; V79-R197 HydrophobicContact CG1-CG 4.19Å; V79-R197 HydrophobicContact CG2-CB 4.03Å; V79-R197 HydrophobicContact CG2-CG 3.88Å
80	G	97.3	Very high	97.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	-7.1	-170.8	0	0	0	0	0	114.2	P78 L153 Y305	P78-G80 PolarHBondContact O-N 2.89Å; G80-L153 CarbonylContact C-O 3.53Å; G80-L153 VanDerWaalsContact O-O 3.08Å; G80-Y305 WeakPolarHBondContact O-CE1 3.35Å
81	Q	98.4	Very high	97.2	Very high	22 Å²	22	43.5 Å²	43.5	10%	0.103	23%	0.232	C	C	.	.			trans	-106.7	165.7	176.5	-65.7	-167.2	-51.5	0	0	112.4	L77 P78 P149 N150 G151 I154	L77-Q81 HydrophobicContact CD1-CB 3.77Å; P78-Q81 HydrophobicContact CB-CG 4.41Å; P78-Q81 VanDerWaalsContact CG-OE1 3.23Å; P78-Q81 WeakPolarHBondContact O-CB 3.47Å; P78-Q81 PolarHBondContact O-N 2.87Å; Q81-P149 HydrophobicContact CB-CB 4.34Å; Q81-N150 CarbonylContact C-O 3.53Å; Q81-N150 WeakPolarHBondContact CA-O 3.33Å; Q81-N150 VanDerWaalsContact CB-O 3.23Å; Q81-N150 WeakPolarHBondContact CB-O 3.28Å; Q81-G151 PolarHBondContact NE2-O 2.79Å; Q81-I154 HydrophobicContact CG-CG1 4.02Å
82	H	98.6	Very high	97.1	Very high	15 Å²	15	40 Å²	40	7%	0.069	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	170.3	179	58.9	-99.5	0	0	0	111.3	Y84 Y98 T99 N150	H82-Y84 AromaticContact CD2-CE2 3.99Å; H82-Y84 AromaticContact NE2-CE2 3.58Å; H82-Y84 AromaticContact NE2-CZ 3.43Å; H82-Y84 PolarHBondContact NE2-OH 3.14Å; H82-Y98 WeakPolarHBondContact CB-O 3.45Å; H82-T99 WeakPolarHBondContact CB-OG1 3.36Å; H82-N150 PolarHBondContact N-O 2.89Å; H82-N150 PolarHBondContact ND1-O 3.26Å; H82-N150 PolarHBondContact O-N 2.77Å
83	V	98.7	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	157.4	168.8	-62.5	0	0	0	0	110.1	L40 L75 L77 P97 Y98 P100 F146 R147	L40-V83 HydrophobicContact CD1-CG1 3.65Å; L75-V83 HydrophobicContact CD2-CG1 4.26Å; L77-V83 HydrophobicContact CD1-CG1 4.34Å; V83-P97 CarbonylContact O-C 3.49Å; V83-P97 VanDerWaalsContact O-CA 3.27Å; V83-P97 WeakPolarHBondContact O-CA 3.49Å; V83-Y98 WeakPolarHBondContact CG2-O 3.5Å; V83-Y98 PolarHBondContact N-O 2.81Å; V83-Y98 PolarHBondContact O-N 3.45Å; V83-P100 HydrophobicContact CG2-CG 4.33Å; V83-F146 HydrophobicContact CB-CD1 4.2Å; V83-F146 HydrophobicContact CG1-CD1 4.41Å; V83-F146 HydrophobicContact CG2-CD1 3.8Å; V83-F146 HydrophobicContact CG2-CE1 3.99Å; V83-R147 CarbonylContact C-O 3.55Å
84	Y	98.7	Very high	97.1	Very high	55 Å²	55	41.5 Å²	41.5	22%	0.216	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.1	165	-72.3	-79.8	0	0	0	109.5	H82 V95 R96 P97 F146 R147 N150	H82-Y84 AromaticContact CD2-CE2 3.99Å; H82-Y84 AromaticContact NE2-CE2 3.58Å; H82-Y84 AromaticContact NE2-CZ 3.43Å; H82-Y84 PolarHBondContact NE2-OH 3.14Å; Y84-V95 HydrophobicContact CD1-CG1 3.72Å; Y84-V95 HydrophobicContact CG-CG1 4.1Å; Y84-R96 WeakPolarHBondContact CA-O 3.34Å; Y84-P97 HydrophobicContact CD1-CB 4.16Å; Y84-P97 HydrophobicContact CE1-CB 3.87Å; Y84-P97 HydrophobicContact CE1-CG 4.36Å; Y84-F146 CarbonylContact O-C 3.6Å; Y84-F146 WeakPolarHBondContact O-CA 3.33Å; Y84-R147 PolarHBondContact N-O 2.87Å; Y84-R147 PolarHBondContact O-N 3.03Å; Y84-N150 HydrophobicContact CD2-CB 4.11Å; Y84-N150 HydrophobicContact CE2-CB 3.59Å
85	L	98.8	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139	162.4	-58.7	-173.8	0	0	0	109.5	V95 R96 Y98 L112 M131 L135 I144 D145 F146	L85-V95 VanDerWaalsContact O-CA 3.28Å; L85-V95 WeakPolarHBondContact O-CA 3.39Å; L85-R96 PolarHBondContact N-O 3.39Å; L85-R96 PolarHBondContact O-N 2.75Å; L85-Y98 HydrophobicContact CB-CD2 4.12Å; L85-Y98 HydrophobicContact CB-CE2 4.09Å; L85-Y98 HydrophobicContact CD1-CD2 3.56Å; L85-Y98 HydrophobicContact CD1-CE2 3.62Å; L85-Y98 HydrophobicContact CD1-CG 4.33Å; L85-Y98 HydrophobicContact CG-CD2 3.59Å; L85-Y98 HydrophobicContact CG-CE2 3.93Å; L85-L112 HydrophobicContact CD1-CD1 3.63Å; L85-L112 HydrophobicContact CD2-CD1 4.36Å; L85-L112 HydrophobicContact CG-CD1 4.33Å; L85-M131 HydrophobicContact CB-CE 4.21Å; L85-M131 HydrophobicContact CB-SD 4.38Å; L85-L135 HydrophobicContact CD1-CD1 4.09Å; L85-L135 HydrophobicContact CD1-CD2 3.98Å; L85-I144 HydrophobicContact CB-CD1 3.93Å; L85-I144 HydrophobicContact CB-CG1 4.48Å; L85-I144 HydrophobicContact CD1-CD1 4.07Å; L85-I144 HydrophobicContact CD2-CG2 4.3Å; L85-I144 HydrophobicContact CG-CD1 4.46Å; L85-D145 VanDerWaalsContact CA-O 3.32Å; L85-D145 WeakPolarHBondContact CA-O 3.32Å; L85-F146 HydrophobicContact CD2-CD1 3.7Å; L85-F146 HydrophobicContact CD2-CD2 3.56Å; L85-F146 HydrophobicContact CD2-CE1 3.62Å; L85-F146 HydrophobicContact CD2-CE2 3.49Å; L85-F146 VanDerWaalsContact CD2-CE2 3.49Å; L85-F146 HydrophobicContact CD2-CG 3.66Å; L85-F146 HydrophobicContact CD2-CZ 3.51Å
86	S	98.4	Very high	97.1	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.4	172.1	73.1	0	0	0	0	112.5	K46 V94 D145	K46-S86 WeakPolarHBondContact CE-OG 3.32Å; K46-S86 PolarHBondContact NZ-OG 3.43Å; K46-S86 VanDerWaalsContact NZ-OG 3.07Å; S86-V94 WeakPolarHBondContact CA-O 3.45Å; S86-D145 PolarHBondContact N-O 2.81Å; S86-D145 WeakPolarHBondContact OG-CB 3.43Å
87	A	97.6	Very high	97.2	Very high	9 Å²	9	51.3 Å²	51.3	7%	0.074	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.2	178.8	0	0	0	0	0	110.8	V94 M131 Y134 I144	A87-V94 PolarHBondContact N-O 3.25Å; A87-V94 PolarHBondContact O-N 3.11Å; A87-M131 HydrophobicContact CB-CE 4.06Å; A87-M131 HydrophobicContact CB-SD 4.3Å; A87-Y134 HydrophobicContact CB-CD1 3.79Å; A87-Y134 HydrophobicContact CB-CD2 4.4Å; A87-Y134 HydrophobicContact CB-CE1 3.43Å; A87-Y134 VanDerWaalsContact CB-CE1 3.43Å; A87-Y134 HydrophobicContact CB-CE2 4.09Å; A87-Y134 HydrophobicContact CB-CG 4.26Å; A87-I144 HydrophobicContact CB-CD1 4.21Å; A87-I144 HydrophobicContact CB-CG1 4.4Å
88	K	96.5	Very high	97.2	Very high	163 Å²	163	52.7 Å²	52.7	71%	0.709	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	112.3	169.3	-70.8	-174.6	-179.1	179.4	0	109.3	N92	K88-N92 CarbonylContact C-O 3.52Å; K88-N92 WeakPolarHBondContact CA-O 3.37Å
89	V	94.1	Very high	97.2	Very high	23 Å²	23	51.2 Å²	51.2	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.5	176.6	-175.1	0	0	0	0	108.2	G91 N92 V94 Q130 Y134	V89-G91 PolarHBondContact O-N 2.96Å; V89-N92 PolarHBondContact N-O 2.71Å; V89-N92 PolarHBondContact O-N 3.31Å; V89-V94 HydrophobicContact CB-CG2 3.8Å; V89-V94 HydrophobicContact CG2-CB 4.13Å; V89-V94 HydrophobicContact CG2-CG2 3.8Å; V89-Q130 HydrophobicContact CG1-CB 4.44Å; V89-Y134 HydrophobicContact CG2-CD2 3.87Å; V89-Y134 HydrophobicContact CG2-CG 4.05Å
90	K	90.9	Very high	97.2	Very high	193 Å²	193	50 Å²	50	84%	0.839	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	44.6	-175.5	-57.7	178.8	179.7	179.2	0	112.4	N92	K90-N92 PolarHBondContact O-N 2.93Å
91	G	92.4	Very high	97.2	Very high	65 Å²	65	50.8 Å²	50.8	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-16.4	-179.4	0	0	0	0	0	115.8	V89	V89-G91 PolarHBondContact O-N 2.96Å
92	N	95.4	Very high	97.1	Very high	106 Å²	106	50.1 Å²	50.1	57%	0.567	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.4	-178.6	-66.7	-55.7	0	0	0	112	K88 V89 K90 V94	K88-N92 CarbonylContact C-O 3.52Å; K88-N92 WeakPolarHBondContact CA-O 3.37Å; V89-N92 PolarHBondContact N-O 2.71Å; V89-N92 PolarHBondContact O-N 3.31Å; K90-N92 PolarHBondContact O-N 2.93Å; N92-V94 PolarHBondContact O-N 2.74Å
93	L	97.5	Very high	97	Very high	111 Å²	111	51.6 Å²	51.6	58%	0.581	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.8	172.4	-178.9	65.4	0	0	0	109.9	V95	L93-V95 HydrophobicContact CD1-CG2 4.41Å; L93-V95 HydrophobicContact CD2-CG2 4.27Å; L93-V95 HydrophobicContact CG-CG2 4.01Å
94	V	98.3	Very high	96.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.6	174.5	-177.2	0	0	0	0	108.3	S86 A87 V89 N92 R96 Q130 M131	S86-V94 WeakPolarHBondContact CA-O 3.45Å; A87-V94 PolarHBondContact N-O 3.25Å; A87-V94 PolarHBondContact O-N 3.11Å; V89-V94 HydrophobicContact CB-CG2 3.8Å; V89-V94 HydrophobicContact CG2-CB 4.13Å; V89-V94 HydrophobicContact CG2-CG2 3.8Å; N92-V94 PolarHBondContact O-N 2.74Å; V94-R96 HydrophobicContact CG1-CG 4.23Å; V94-Q130 HydrophobicContact CG1-CB 4.22Å; V94-Q130 HydrophobicContact CG2-CB 4.22Å; V94-M131 HydrophobicContact CB-CE 4.24Å; V94-M131 HydrophobicContact CG1-CB 4.09Å; V94-M131 HydrophobicContact CG1-CE 4.07Å; V94-M131 WeakPolarHBondContact O-CE 3.48Å
95	V	98.3	Very high	96.5	Very high	47 Å²	47	57.2 Å²	57.2	29%	0.285	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.4	177.4	-172.2	0	0	0	0	109.1	Y84 L85 L93	Y84-V95 HydrophobicContact CD1-CG1 3.72Å; Y84-V95 HydrophobicContact CG-CG1 4.1Å; L85-V95 VanDerWaalsContact O-CA 3.28Å; L85-V95 WeakPolarHBondContact O-CA 3.39Å; L93-V95 HydrophobicContact CD1-CG2 4.41Å; L93-V95 HydrophobicContact CD2-CG2 4.27Å; L93-V95 HydrophobicContact CG-CG2 4.01Å
96	R	98.3	Very high	96.4	Very high	109 Å²	109	59.9 Å²	59.9	41%	0.411	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.7	-179.7	-67.9	-63.5	-179.3	-87	-1.2	111.9	Y84 L85 V94 Y98 M131	Y84-R96 WeakPolarHBondContact CA-O 3.34Å; L85-R96 PolarHBondContact N-O 3.39Å; L85-R96 PolarHBondContact O-N 2.75Å; V94-R96 HydrophobicContact CG1-CG 4.23Å; R96-Y98 HydrophobicContact CB-CD2 4.46Å; R96-Y98 HydrophobicContact CB-CE2 3.73Å; R96-Y98 WeakPolarHBondContact O-CD2 3.35Å; R96-M131 HydrophobicContact CB-CB 4.24Å; R96-M131 HydrophobicContact CB-CG 4.17Å; R96-M131 HydrophobicContact CG-CB 3.72Å; R96-M131 HydrophobicContact CG-CG 4.19Å
97	P	98.3	Very high	96.4	Very high	69 Å²	69	64 Å²	64	45%	0.448	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.4	174.5	32.7	-33.8	0	0	0	110.9	V83 Y84	V83-P97 CarbonylContact O-C 3.49Å; V83-P97 VanDerWaalsContact O-CA 3.27Å; V83-P97 WeakPolarHBondContact O-CA 3.49Å; Y84-P97 HydrophobicContact CD1-CB 4.16Å; Y84-P97 HydrophobicContact CE1-CB 3.87Å; Y84-P97 HydrophobicContact CE1-CG 4.36Å
98	Y	98.6	Very high	96.4	Very high	39 Å²	39	64.3 Å²	64.3	15%	0.153	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.7	169.7	-66.9	-87.8	0	0	0	108.9	H82 V83 L85 R96 P100 L112 V114 M131 L135	H82-Y98 WeakPolarHBondContact CB-O 3.45Å; V83-Y98 WeakPolarHBondContact CG2-O 3.5Å; V83-Y98 PolarHBondContact N-O 2.81Å; V83-Y98 PolarHBondContact O-N 3.45Å; L85-Y98 HydrophobicContact CB-CD2 4.12Å; L85-Y98 HydrophobicContact CB-CE2 4.09Å; L85-Y98 HydrophobicContact CD1-CD2 3.56Å; L85-Y98 HydrophobicContact CD1-CE2 3.62Å; L85-Y98 HydrophobicContact CD1-CG 4.33Å; L85-Y98 HydrophobicContact CG-CD2 3.59Å; L85-Y98 HydrophobicContact CG-CE2 3.93Å; R96-Y98 HydrophobicContact CB-CD2 4.46Å; R96-Y98 HydrophobicContact CB-CE2 3.73Å; R96-Y98 WeakPolarHBondContact O-CD2 3.35Å; Y98-P100 WeakPolarHBondContact O-CD 3.31Å; Y98-L112 HydrophobicContact CG-CD1 4.33Å; Y98-V114 HydrophobicContact CD1-CG2 3.88Å; Y98-V114 HydrophobicContact CE1-CB 4.4Å; Y98-V114 HydrophobicContact CE1-CG1 3.85Å; Y98-V114 HydrophobicContact CE1-CG2 3.71Å; Y98-M131 HydrophobicContact CE2-CG 3.86Å; Y98-M131 WeakPolarHBondContact OH-CG 2.72Å; Y98-L135 HydrophobicContact CE1-CD1 4.4Å; Y98-L135 HydrophobicContact CE2-CD1 4.43Å
99	T	98.6	Very high	96.5	Very high	14 Å²	14	58.2 Å²	58.2	9%	0.086	31%	0.312	C	S	.	.			trans	-90.7	116	167.2	-56.4	0	0	0	0	108.4	H82 T189 Q193	H82-T99 WeakPolarHBondContact CB-OG1 3.36Å; T99-T189 WeakPolarHBondContact O-CB 3.32Å; T99-T189 PolarHBondContact O-OG1 3.02Å; T99-Q193 HydrophobicContact CG2-CB 4.27Å
100	P	98.1	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.			trans	-57	149.3	173.3	-24.3	35	0	0	0	112.7	L75 L77 V83 Y98 V110 D111 L112	L75-P100 HydrophobicContact CD2-CG 3.84Å; L77-P100 HydrophobicContact CD2-CB 4.42Å; L77-P100 HydrophobicContact CD2-CG 3.59Å; V83-P100 HydrophobicContact CG2-CG 4.33Å; Y98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-V110 HydrophobicContact CB-CG2 3.66Å; P100-V110 HydrophobicContact CG-CG2 3.73Å; P100-D111 CarbonylContact C-O 3.56Å; P100-D111 WeakPolarHBondContact CA-O 3.42Å; P100-L112 HydrophobicContact CB-CD2 3.93Å; P100-L112 HydrophobicContact CG-CD2 3.78Å
101	V	96.1	Very high	97.1	Very high	16 Å²	16	48.4 Å²	48.4	10%	0.097	27%	0.268	C	S	.	.	S	Bend	trans	-93.6	-14.4	170	-62.6	0	0	0	0	111.4	D111 V113 T189 R196 L222	V101-D111 HydrophobicContact CG2-CB 3.75Å; V101-D111 WeakPolarHBondContact CG2-O 3.3Å; V101-D111 PolarHBondContact N-O 3.37Å; V101-V113 HydrophobicContact CB-CG2 4.49Å; V101-V113 HydrophobicContact CG1-CB 4.15Å; V101-V113 HydrophobicContact CG1-CG2 4.05Å; V101-V113 HydrophobicContact CG2-CG2 3.7Å; V101-T189 HydrophobicContact CG1-CG2 3.88Å; V101-R196 PolarHBondContact O-NH1 2.84Å; V101-L222 HydrophobicContact CG1-CD1 4.23Å
102	S	96.7	Very high	97.4	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.063	24%	0.236	C	C	.	.	S	Bend	trans	-78.4	169.6	164.3	62.2	0	0	0	0	111.3	D106 V110 D111	S102-D106 WeakPolarHBondContact CA-OD2 3.25Å; S102-D106 WeakPolarHBondContact CB-OD2 3.45Å; S102-V110 WeakPolarHBondContact OG-CA 3.48Å; S102-D111 PolarHBondContact OG-N 2.81Å
103	S	95.9	Very high	97.4	Very high	45 Å²	45	41 Å²	41	32%	0.315	21%	0.213	S	C	.	.			trans	-130.8	177.7	179.3	74.9	0	0	0	0	111.7	E105 D106	S103-E105 PolarHBondContact O-N 3.04Å; S103-E105 WeakPolarHBondContact OG-CB 3.33Å; S103-E105 PolarHBondContact OG-N 2.84Å; S103-E105 VanDerWaalsContact OG-N 3.13Å; S103-D106 PolarHBondContact N-OD2 2.81Å; S103-D106 WeakPolarHBondContact O-CB 3.45Å; S103-D106 PolarHBondContact O-N 2.82Å; S103-D106 PolarHBondContact OG-OD2 3.48Å
104	D	95.8	Very high	97.4	Very high	36 Å²	36	35.9 Å²	35.9	19%	0.193	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	1.4	171.9	-75.4	-7.6	0	0	0	113.2	I74 G76 L77 D106	I74-D104 HydrophobicContact CB-CB 4.4Å; I74-D104 HydrophobicContact CD1-CB 3.92Å; I74-D104 WeakPolarHBondContact CG2-O 3.42Å; G76-D104 WeakPolarHBondContact CA-OD1 3.42Å; G76-D104 WeakPolarHBondContact CA-OD2 3.28Å; G76-D104 PolarHBondContact N-OD1 2.76Å; L77-D104 PolarHBondContact N-OD1 3.26Å; L77-D104 VanDerWaalsContact N-OD1 3.13Å; L77-D104 PolarHBondContact N-OD2 2.64Å; D104-D106 VanDerWaalsContact C-N 3.35Å
105	E	93	Very high	97.2	Very high	138 Å²	138	36.7 Å²	36.7	65%	0.645	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.2	165.9	-59.3	176.2	-173.8	0	0	111.4	S103	S103-E105 PolarHBondContact O-N 3.04Å; S103-E105 WeakPolarHBondContact OG-CB 3.33Å; S103-E105 PolarHBondContact OG-N 2.84Å; S103-E105 VanDerWaalsContact OG-N 3.13Å
106	D	95.9	Very high	97.1	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.294	18%	0.177	S	C	.	.	S	Bend	trans	-89.2	127.3	176.3	-57.7	-71.1	0	0	0	110.1	S102 S103 D104 F109	S102-D106 WeakPolarHBondContact CA-OD2 3.25Å; S102-D106 WeakPolarHBondContact CB-OD2 3.45Å; S103-D106 PolarHBondContact N-OD2 2.81Å; S103-D106 WeakPolarHBondContact O-CB 3.45Å; S103-D106 PolarHBondContact O-N 2.82Å; S103-D106 PolarHBondContact OG-OD2 3.48Å; D104-D106 VanDerWaalsContact C-N 3.35Å; D106-F109 HydrophobicContact CB-CE1 4.16Å; D106-F109 HydrophobicContact CB-CE2 4.12Å; D106-F109 HydrophobicContact CB-CZ 3.72Å
107	Q	97.4	Very high	97	Very high	95 Å²	95	34.8 Å²	34.8	44%	0.444	18%	0.179	S	C	.	.			trans	-105.9	145.1	179.9	-59.8	-175.4	-11.9	0	0	111.2	E71 H73 I74 F109	E71-Q107 CarbonylContact O-C 3.56Å; E71-Q107 VanDerWaalsContact O-CB 3.27Å; E71-Q107 WeakPolarHBondContact O-CB 3.41Å; H73-Q107 CarbonylContact O-C 3.5Å; H73-Q107 WeakPolarHBondContact O-CA 3.43Å; I74-Q107 HydrophobicContact CG2-CG 4.13Å; Q107-F109 VanDerWaalsContact C-N 3.26Å; Q107-F109 VanDerWaalsContact O-CD1 3.23Å; Q107-F109 WeakPolarHBondContact O-CD1 3.44Å; Q107-F109 PolarHBondContact O-N 3.49Å
108	G	98.3	Very high	96.9	Very high	14 Å²	14	35.1 Å²	35.1	14%	0.144	17%	0.171	C	C	.	.	S	Bend	trans	82.5	-11.4	172.5	0	0	0	0	0	115.7	L68 S70 E71 H73	L68-G108 PolarHBondContact N-O 3.31Å; S70-G108 WeakPolarHBondContact O-CA 3.37Å; E71-G108 WeakPolarHBondContact O-CA 3.35Å; E71-G108 PolarHBondContact O-N 3.09Å; E71-G108 VanDerWaalsContact O-N 3.14Å; H73-G108 PolarHBondContact O-N 2.95Å
109	F	98.7	Very high	96.8	Very high	35 Å²	35	40.7 Å²	40.7	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	164.5	-179	69.8	-89	0	0	0	114.4	I52 R65 F66 D106 Q107	I52-F109 HydrophobicContact CD1-CB 4.42Å; R65-F109 HydrophobicContact CG-CB 3.7Å; R65-F109 HydrophobicContact CG-CD2 3.94Å; R65-F109 HydrophobicContact CG-CG 4.03Å; R65-F109 VanDerWaalsContact CZ-CE2 3.43Å; R65-F109 VanDerWaalsContact NE-CD2 3.34Å; F66-F109 CarbonylContact O-C 3.55Å; F66-F109 WeakPolarHBondContact O-CA 3.38Å; F66-F109 WeakPolarHBondContact O-CB 3.36Å; D106-F109 HydrophobicContact CB-CE1 4.16Å; D106-F109 HydrophobicContact CB-CE2 4.12Å; D106-F109 HydrophobicContact CB-CZ 3.72Å; Q107-F109 VanDerWaalsContact C-N 3.26Å; Q107-F109 VanDerWaalsContact O-CD1 3.23Å; Q107-F109 WeakPolarHBondContact O-CD1 3.44Å; Q107-F109 PolarHBondContact O-N 3.49Å
110	V	98.8	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.1	165.6	56.5	0	0	0	0	110.3	L49 R65 F66 L68 L75 P100 S102 L112 F146	L49-V110 HydrophobicContact CD1-CG1 4.02Å; R65-V110 WeakPolarHBondContact CA-O 3.47Å; F66-V110 HydrophobicContact CB-CG1 3.82Å; F66-V110 PolarHBondContact N-O 3.07Å; F66-V110 PolarHBondContact O-N 2.89Å; L68-V110 HydrophobicContact CD2-CB 4.39Å; L68-V110 HydrophobicContact CD2-CG1 4.14Å; L75-V110 HydrophobicContact CD1-CB 4.36Å; L75-V110 HydrophobicContact CD1-CG1 4.44Å; L75-V110 HydrophobicContact CD1-CG2 4.49Å; L75-V110 HydrophobicContact CD2-CB 4.27Å; L75-V110 HydrophobicContact CD2-CG2 3.68Å; P100-V110 HydrophobicContact CB-CG2 3.66Å; P100-V110 HydrophobicContact CG-CG2 3.73Å; S102-V110 WeakPolarHBondContact OG-CA 3.48Å; V110-L112 HydrophobicContact CG2-CD2 4.36Å; V110-F146 HydrophobicContact CG1-CE1 3.83Å; V110-F146 HydrophobicContact CG1-CZ 3.98Å; V110-F146 HydrophobicContact CG2-CE1 4.42Å
111	D	98.6	Very high	96.4	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129	177.9	-79.2	-11.4	0	0	0	111.6	K63 F64 R65 P100 V101 S102	K63-D111 HydrophobicContact CD-CB 4.4Å; K63-D111 HydrophobicContact CG-CB 4.36Å; F64-D111 WeakPolarHBondContact O-CA 3.19Å; R65-D111 WeakPolarHBondContact CA-OD1 3.44Å; R65-D111 WeakPolarHBondContact CB-OD1 3.47Å; R65-D111 WeakPolarHBondContact CG-OD1 3.32Å; R65-D111 IonicContact CZ-OD1 3.61Å; R65-D111 IonicContact CZ-OD2 3.53Å; R65-D111 IonicContact NE-OD1 2.67Å; R65-D111 PolarHBondContact NE-OD1 2.67Å; R65-D111 IonicContact NE-OD2 2.77Å; R65-D111 PolarHBondContact NE-OD2 3.28Å; R65-D111 IonicContact NH2-OD1 2.75Å; R65-D111 IonicContact NH2-OD2 3.6Å; R65-D111 PolarHBondContact NH2-OD2 3.02Å; P100-D111 CarbonylContact C-O 3.56Å; P100-D111 WeakPolarHBondContact CA-O 3.42Å; V101-D111 HydrophobicContact CG2-CB 3.75Å; V101-D111 WeakPolarHBondContact CG2-O 3.3Å; V101-D111 PolarHBondContact N-O 3.37Å; S102-D111 PolarHBondContact OG-N 2.81Å
112	L	98.4	Very high	96	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.6	170.6	-55.1	-174.2	0	0	0	109.7	K63 F64 F66 L85 Y98 P100 V110 V114 F146	K63-L112 CarbonylContact C-O 3.53Å; K63-L112 WeakPolarHBondContact CA-O 3.46Å; F64-L112 PolarHBondContact N-O 2.81Å; F64-L112 PolarHBondContact O-N 3.29Å; F66-L112 HydrophobicContact CD2-CD1 4.47Å; F66-L112 HydrophobicContact CD2-CG 4.48Å; F66-L112 HydrophobicContact CE2-CD1 3.92Å; F66-L112 HydrophobicContact CE2-CG 4.22Å; L85-L112 HydrophobicContact CD1-CD1 3.63Å; L85-L112 HydrophobicContact CD2-CD1 4.36Å; L85-L112 HydrophobicContact CG-CD1 4.33Å; Y98-L112 HydrophobicContact CG-CD1 4.33Å; P100-L112 HydrophobicContact CB-CD2 3.93Å; P100-L112 HydrophobicContact CG-CD2 3.78Å; V110-L112 HydrophobicContact CG2-CD2 4.36Å; L112-V114 HydrophobicContact CB-CG2 4.03Å; L112-F146 HydrophobicContact CD1-CE1 4.2Å; L112-F146 HydrophobicContact CD1-CZ 4.01Å
113	V	96.5	Very high	95.7	Very high	12 Å²	12	56.1 Å²	56.1	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.6	169.7	172.8	0	0	0	0	108.1	T61 K63 V101 L222	T61-V113 HydrophobicContact CG2-CG1 3.68Å; K63-V113 HydrophobicContact CB-CG2 4.14Å; K63-V113 HydrophobicContact CG-CG2 4.05Å; V101-V113 HydrophobicContact CB-CG2 4.49Å; V101-V113 HydrophobicContact CG1-CB 4.15Å; V101-V113 HydrophobicContact CG1-CG2 4.05Å; V101-V113 HydrophobicContact CG2-CG2 3.7Å; V113-L222 HydrophobicContact CG1-CD2 4.32Å; V113-L222 HydrophobicContact CG2-CD2 4.19Å
114	V	96.4	Very high	95.4	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.6	-169.6	-177.1	0	0	0	0	109.8	T61 K62 F64 Y98 L112 I116 L135	T61-V114 WeakPolarHBondContact CA-O 3.15Å; K62-V114 PolarHBondContact N-O 3.16Å; K62-V114 PolarHBondContact O-N 3.27Å; F64-V114 HydrophobicContact CD2-CB 4.09Å; F64-V114 HydrophobicContact CD2-CG2 4Å; F64-V114 HydrophobicContact CE2-CB 3.87Å; F64-V114 HydrophobicContact CE2-CG2 4.25Å; Y98-V114 HydrophobicContact CD1-CG2 3.88Å; Y98-V114 HydrophobicContact CE1-CB 4.4Å; Y98-V114 HydrophobicContact CE1-CG1 3.85Å; Y98-V114 HydrophobicContact CE1-CG2 3.71Å; L112-V114 HydrophobicContact CB-CG2 4.03Å; V114-I116 HydrophobicContact CG1-CD1 4.15Å; V114-L135 HydrophobicContact CG1-CD1 4.18Å; V114-L135 HydrophobicContact CG2-CD1 4.1Å
115	K	95.1	Very high	95.3	Very high	20 Å²	20	65.7 Å²	65.7	9%	0.087	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.8	166.5	-168.4	173.2	-168.8	169	0	109.8	D60 Y117 S132 T186 D219	D60-K115 VanDerWaalsContact CG-CE 3.42Å; D60-K115 CarbonylContact O-C 3.45Å; D60-K115 VanDerWaalsContact O-CA 3.3Å; D60-K115 WeakPolarHBondContact O-CA 3.47Å; D60-K115 WeakPolarHBondContact OD2-CE 3.42Å; D60-K115 IonicContact OD2-NZ 3.46Å; D60-K115 PolarHBondContact OD2-NZ 3.43Å; K115-Y117 HydrophobicContact CD-CE1 4.24Å; K115-S132 WeakPolarHBondContact O-CB 3.4Å; K115-T186 HydrophobicContact CB-CG2 3.47Å; K115-T186 VanDerWaalsContact CB-CG2 3.47Å; K115-D219 IonicContact NZ-OD1 3.43Å; K115-D219 PolarHBondContact NZ-OD1 2.97Å
116	I	96.9	Very high	95.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	33%	0.331	C	S	.	.			trans	-90.7	107.6	-179.4	-44.2	-54.3	0	0	0	109.2	D60 K62 F64 V114 Y118 Q133 D136	D60-I116 PolarHBondContact O-N 2.68Å; K62-I116 HydrophobicContact CD-CG1 4.49Å; K62-I116 HydrophobicContact CG-CG1 4.27Å; F64-I116 HydrophobicContact CE2-CD1 4.06Å; F64-I116 HydrophobicContact CZ-CD1 4.04Å; V114-I116 HydrophobicContact CG1-CD1 4.15Å; I116-Y118 HydrophobicContact CB-CD2 4.42Å; I116-Y118 HydrophobicContact CB-CE1 4.22Å; I116-Y118 HydrophobicContact CB-CE2 3.86Å; I116-Y118 HydrophobicContact CG2-CD1 3.86Å; I116-Y118 HydrophobicContact CG2-CD2 4.33Å; I116-Y118 HydrophobicContact CG2-CE1 3.42Å; I116-Y118 VanDerWaalsContact CG2-CE1 3.42Å; I116-Y118 HydrophobicContact CG2-CE2 3.95Å; I116-Y118 HydrophobicContact CG2-CG 4.28Å; I116-Y118 VanDerWaalsContact CG2-CZ 3.45Å; I116-Y118 PolarHBondContact O-N 2.89Å; I116-Y118 VanDerWaalsContact O-N 3.14Å; I116-Q133 HydrophobicContact CG2-CG 4.3Å; I116-D136 HydrophobicContact CD1-CB 4.14Å; I116-D136 HydrophobicContact CG1-CB 4.37Å; I116-D136 HydrophobicContact CG2-CB 3.99Å
117	Y	95.4	Very high	95.3	Very high	114 Å²	114	66.3 Å²	66.3	45%	0.447	35%	0.35	S	S	.	.			trans	-81.3	91.6	173.1	-60.5	-76.2	0	0	0	109.7	K115 G128 G129 S132 Q133	K115-Y117 HydrophobicContact CD-CE1 4.24Å; Y117-G128 CarbonylContact O-C 3.56Å; Y117-G128 VanDerWaalsContact O-CA 3.3Å; Y117-G128 WeakPolarHBondContact O-CA 3.2Å; Y117-G129 PolarHBondContact O-N 3.25Å; Y117-S132 PolarHBondContact N-OG 3.14Å; Y117-Q133 WeakPolarHBondContact O-CG 3.43Å; Y117-Q133 PolarHBondContact O-NE2 2.91Å
118	Y	96.7	Very high	95.3	Very high	75 Å²	75	62.9 Å²	62.9	29%	0.294	34%	0.34	S	S	.	.			trans	-69.2	141.8	-179.9	-67.9	-67.9	0	0	0	112.8	D60 I116 T121 D136	D60-Y118 HydrophobicContact CB-CD2 4.45Å; D60-Y118 HydrophobicContact CB-CE2 4.14Å; I116-Y118 HydrophobicContact CB-CD2 4.42Å; I116-Y118 HydrophobicContact CB-CE1 4.22Å; I116-Y118 HydrophobicContact CB-CE2 3.86Å; I116-Y118 HydrophobicContact CG2-CD1 3.86Å; I116-Y118 HydrophobicContact CG2-CD2 4.33Å; I116-Y118 HydrophobicContact CG2-CE1 3.42Å; I116-Y118 VanDerWaalsContact CG2-CE1 3.42Å; I116-Y118 HydrophobicContact CG2-CE2 3.95Å; I116-Y118 HydrophobicContact CG2-CG 4.28Å; I116-Y118 VanDerWaalsContact CG2-CZ 3.45Å; I116-Y118 PolarHBondContact O-N 2.89Å; I116-Y118 VanDerWaalsContact O-N 3.14Å; Y118-T121 WeakPolarHBondContact O-CB 3.35Å; Y118-T121 PolarHBondContact O-OG1 2.8Å; Y118-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y118-D136 PolarHBondContact OH-OD2 3.37Å
119	K	96.4	Very high	95.2	Very high	156 Å²	156	63 Å²	63	68%	0.678	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	149.5	168.7	67.4	178.4	-177.2	177.2	0	111.3	T121 P126 Q133	K119-T121 PolarHBondContact O-N 3.03Å; K119-P126 CarbonylContact C-O 3.49Å; K119-P126 WeakPolarHBondContact CA-O 3.3Å; K119-P126 WeakPolarHBondContact CB-O 3.4Å; K119-Q133 VanDerWaalsContact N-OE1 3.08Å
120	G	95.4	Very high	95.2	Very high	70 Å²	70	65.9 Å²	65.9	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	5.2	177.8	0	0	0	0	0	115.6	P126	G120-P126 PolarHBondContact N-O 3.1Å
121	T	91.6	Very high	95.2	Very high	108 Å²	108	66 Å²	66	66%	0.663	36%	0.356	S	S	*	.	S	Bend	trans	-91.8	-41.7	-177.8	-56.1	0	0	0	0	112.7	Y118 K119	Y118-T121 WeakPolarHBondContact O-CB 3.35Å; Y118-T121 PolarHBondContact O-OG1 2.8Å; K119-T121 PolarHBondContact O-N 3.03Å
122	H	87.9	Confident	95.1	Very high	74 Å²	74	65.8 Å²	65.8	34%	0.343	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-111.3	128.3	-176.3	-168.4	-74	0	0	0	111.1	N124 Y125	H122-N124 VanDerWaalsContact C-N 3.31Å; H122-N124 PolarHBondContact ND1-N 3.25Å; H122-N124 VanDerWaalsContact ND1-N 3.11Å; H122-N124 PolarHBondContact O-N 3.05Å; H122-Y125 HydrophobicContact CB-CD2 4.37Å; H122-Y125 AromaticContact CE1-CD2 3.79Å; H122-Y125 AromaticContact CE1-CE2 3.97Å; H122-Y125 AromaticContact CG-CD2 3.82Å; H122-Y125 AromaticContact ND1-CD2 3.36Å; H122-Y125 WeakPolarHBondContact ND1-CD2 3.39Å; H122-Y125 CarbonylContact O-C 3.39Å; H122-Y125 PolarHBondContact O-N 3.49Å
123	P	89.8	Confident	95.1	Very high	112 Å²	112	67.4 Å²	67.4	73%	0.727	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-37.2	-174.1	23.1	-33.7	0	0	0	113	Y125	P123-Y125 VanDerWaalsContact C-N 3.3Å; P123-Y125 PolarHBondContact O-N 3.32Å
124	N	90.8	Very high	95.2	Very high	121 Å²	121	70.4 Å²	70.4	65%	0.647	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.1	178.3	-55.6	-18.4	0	0	0	113.8	H122	H122-N124 VanDerWaalsContact C-N 3.31Å; H122-N124 PolarHBondContact ND1-N 3.25Å; H122-N124 VanDerWaalsContact ND1-N 3.11Å; H122-N124 PolarHBondContact O-N 3.05Å
125	Y	92.3	Very high	95.3	Very high	160 Å²	160	70.1 Å²	70.1	63%	0.627	37%	0.372	S	S	*	.	B	Isolated β-bridge	trans	-137.5	63.5	-176.4	-55	-67.3	0	0	0	110.4	H122 P123 D127 G128	H122-Y125 HydrophobicContact CB-CD2 4.37Å; H122-Y125 AromaticContact CE1-CD2 3.79Å; H122-Y125 AromaticContact CE1-CE2 3.97Å; H122-Y125 AromaticContact CG-CD2 3.82Å; H122-Y125 AromaticContact ND1-CD2 3.36Å; H122-Y125 WeakPolarHBondContact ND1-CD2 3.39Å; H122-Y125 CarbonylContact O-C 3.39Å; H122-Y125 PolarHBondContact O-N 3.49Å; P123-Y125 VanDerWaalsContact C-N 3.3Å; P123-Y125 PolarHBondContact O-N 3.32Å; Y125-D127 PolarHBondContact O-N 3.42Å; Y125-G128 PolarHBondContact O-N 3.02Å; Y125-G128 VanDerWaalsContact O-N 3.07Å
126	P	94.9	Very high	95.5	Very high	78 Å²	78	70.2 Å²	70.2	51%	0.506	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.9	-170.9	25.4	-35.2	0	0	0	113.3	K119 G120 G128	K119-P126 CarbonylContact C-O 3.49Å; K119-P126 WeakPolarHBondContact CA-O 3.3Å; K119-P126 WeakPolarHBondContact CB-O 3.4Å; G120-P126 PolarHBondContact N-O 3.1Å; P126-G128 VanDerWaalsContact C-N 3.32Å; P126-G128 PolarHBondContact O-N 3.45Å
127	D	95.9	Very high	95.5	Very high	128 Å²	128	76.4 Å²	76.4	68%	0.684	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.8	179	-68	-47.9	0	0	0	114.2	Y125 Q133	Y125-D127 PolarHBondContact O-N 3.42Å; D127-Q133 PolarHBondContact O-NE2 2.88Å
128	G	96.3	Very high	95.7	Very high	23 Å²	23	71.2 Å²	71.2	24%	0.237	39%	0.386	C	S	.	.			trans	66.3	-163.4	-174.1	0	0	0	0	0	113.8	Y117 Y125 P126	Y117-G128 CarbonylContact O-C 3.56Å; Y117-G128 VanDerWaalsContact O-CA 3.3Å; Y117-G128 WeakPolarHBondContact O-CA 3.2Å; Y125-G128 PolarHBondContact O-N 3.02Å; Y125-G128 VanDerWaalsContact O-N 3.07Å; P126-G128 VanDerWaalsContact C-N 3.32Å; P126-G128 PolarHBondContact O-N 3.45Å
129	G	96.7	Very high	95.7	Very high	16 Å²	16	70.2 Å²	70.2	17%	0.165	39%	0.393	C	S	.	.			trans	-88.4	123.7	-178.4	0	0	0	0	0	111.9	Y117 S132 Q133	Y117-G129 PolarHBondContact O-N 3.25Å; G129-S132 PolarHBondContact O-OG 3.03Å; G129-Q133 VanDerWaalsContact O-CB 3.28Å; G129-Q133 WeakPolarHBondContact O-CB 3.31Å; G129-Q133 VanDerWaalsContact O-CG 3.31Å; G129-Q133 WeakPolarHBondContact O-CG 3.39Å; G129-Q133 PolarHBondContact O-N 3.44Å; G129-Q133 VanDerWaalsContact O-N 3.1Å; G129-Q133 PolarHBondContact O-NE2 3.32Å
130	Q	97.8	Very high	95.8	Very high	96 Å²	96	67.8 Å²	67.8	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-55.7	-179	-67.7	178.1	-34	0	0	112.5	V89 V94 Y134	V89-Q130 HydrophobicContact CG1-CB 4.44Å; V94-Q130 HydrophobicContact CG1-CB 4.22Å; V94-Q130 HydrophobicContact CG2-CB 4.22Å; Q130-Y134 WeakPolarHBondContact O-CB 3.49Å; Q130-Y134 PolarHBondContact O-N 2.72Å
131	M	98.3	Very high	96	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.02	38%	0.377	C	S	.	.	H	α-helix	trans	-72.6	-38.8	-177	-176.3	62.1	76.6	0	0	112.1	L85 A87 V94 R96 Y98 Y134 L135 I144	L85-M131 HydrophobicContact CB-CE 4.21Å; L85-M131 HydrophobicContact CB-SD 4.38Å; A87-M131 HydrophobicContact CB-CE 4.06Å; A87-M131 HydrophobicContact CB-SD 4.3Å; V94-M131 HydrophobicContact CB-CE 4.24Å; V94-M131 HydrophobicContact CG1-CB 4.09Å; V94-M131 HydrophobicContact CG1-CE 4.07Å; V94-M131 WeakPolarHBondContact O-CE 3.48Å; R96-M131 HydrophobicContact CB-CB 4.24Å; R96-M131 HydrophobicContact CB-CG 4.17Å; R96-M131 HydrophobicContact CG-CB 3.72Å; R96-M131 HydrophobicContact CG-CG 4.19Å; Y98-M131 HydrophobicContact CE2-CG 3.86Å; Y98-M131 WeakPolarHBondContact OH-CG 2.72Å; M131-Y134 WeakPolarHBondContact O-CB 3.29Å; M131-Y134 PolarHBondContact O-N 2.68Å; M131-Y134 HydrophobicContact SD-CD1 4.18Å; M131-L135 HydrophobicContact CG-CD1 4.31Å; M131-L135 HydrophobicContact CG-CG 4.47Å; M131-L135 WeakPolarHBondContact O-CG 3.36Å; M131-L135 PolarHBondContact O-N 2.7Å; M131-L135 HydrophobicContact SD-CG 4.46Å; M131-I144 HydrophobicContact SD-CD1 3.86Å
132	S	97.9	Very high	96.3	Very high	5 Å²	5	65.3 Å²	65.3	4%	0.035	36%	0.364	C	S	.	.	H	α-helix	trans	-66.1	-42.9	-178.8	62	0	0	0	0	111.7	K115 Y117 G129 Y134 L135 D136	K115-S132 WeakPolarHBondContact O-CB 3.4Å; Y117-S132 PolarHBondContact N-OG 3.14Å; G129-S132 PolarHBondContact O-OG 3.03Å; S132-Y134 VanDerWaalsContact C-N 3.34Å; S132-L135 PolarHBondContact O-N 3.3Å; S132-D136 PolarHBondContact O-N 3.47Å
133	Q	98.3	Very high	96.8	Very high	36 Å²	36	64.3 Å²	64.3	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-70.3	-31.4	173.9	-68.7	175.8	101.5	0	0	111.8	I116 Y117 K119 D127 G129 D136 N137	I116-Q133 HydrophobicContact CG2-CG 4.3Å; Y117-Q133 WeakPolarHBondContact O-CG 3.43Å; Y117-Q133 PolarHBondContact O-NE2 2.91Å; K119-Q133 VanDerWaalsContact N-OE1 3.08Å; D127-Q133 PolarHBondContact O-NE2 2.88Å; G129-Q133 VanDerWaalsContact O-CB 3.28Å; G129-Q133 WeakPolarHBondContact O-CB 3.31Å; G129-Q133 VanDerWaalsContact O-CG 3.31Å; G129-Q133 WeakPolarHBondContact O-CG 3.39Å; G129-Q133 PolarHBondContact O-N 3.44Å; G129-Q133 VanDerWaalsContact O-N 3.1Å; G129-Q133 PolarHBondContact O-NE2 3.32Å; Q133-D136 PolarHBondContact O-N 2.98Å; Q133-N137 PolarHBondContact O-N 3.43Å; Q133-N137 VanDerWaalsContact O-N 3.16Å; Q133-N137 PolarHBondContact O-ND2 2.95Å
134	Y	98.4	Very high	97.3	Very high	75 Å²	75	59.1 Å²	59.1	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-49.9	171.6	178	-91.1	0	0	0	111.1	A87 V89 Q130 M131 S132 D136 N137 M138 I144	A87-Y134 HydrophobicContact CB-CD1 3.79Å; A87-Y134 HydrophobicContact CB-CD2 4.4Å; A87-Y134 HydrophobicContact CB-CE1 3.43Å; A87-Y134 VanDerWaalsContact CB-CE1 3.43Å; A87-Y134 HydrophobicContact CB-CE2 4.09Å; A87-Y134 HydrophobicContact CB-CG 4.26Å; V89-Y134 HydrophobicContact CG2-CD2 3.87Å; V89-Y134 HydrophobicContact CG2-CG 4.05Å; Q130-Y134 WeakPolarHBondContact O-CB 3.49Å; Q130-Y134 PolarHBondContact O-N 2.72Å; M131-Y134 WeakPolarHBondContact O-CB 3.29Å; M131-Y134 PolarHBondContact O-N 2.68Å; M131-Y134 HydrophobicContact SD-CD1 4.18Å; S132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-D136 VanDerWaalsContact C-N 3.34Å; Y134-D136 PolarHBondContact O-N 2.61Å; Y134-N137 PolarHBondContact O-N 3Å; Y134-M138 HydrophobicContact CD1-CG 4.44Å; Y134-M138 HydrophobicContact CD1-SD 4.38Å; Y134-M138 HydrophobicContact CE1-CG 4.16Å; Y134-M138 HydrophobicContact CE1-SD 4.02Å; Y134-M138 PolarHBondContact O-N 3.4Å; Y134-I144 HydrophobicContact CD1-CD1 4.14Å; Y134-I144 HydrophobicContact CE1-CD1 3.89Å; Y134-I144 HydrophobicContact CE1-CG1 4.41Å
135	L	98.4	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-45.4	176.1	-70.9	171.2	0	0	0	111.7	F64 F66 L85 Y98 V114 M131 S132 N137 M138 I144	F64-L135 HydrophobicContact CE1-CB 3.98Å; F64-L135 WeakPolarHBondContact CE1-O 3.16Å; F64-L135 HydrophobicContact CE2-CB 4.35Å; F64-L135 HydrophobicContact CZ-CB 3.89Å; F66-L135 HydrophobicContact CZ-CD2 4.05Å; L85-L135 HydrophobicContact CD1-CD1 4.09Å; L85-L135 HydrophobicContact CD1-CD2 3.98Å; Y98-L135 HydrophobicContact CE1-CD1 4.4Å; Y98-L135 HydrophobicContact CE2-CD1 4.43Å; V114-L135 HydrophobicContact CG1-CD1 4.18Å; V114-L135 HydrophobicContact CG2-CD1 4.1Å; M131-L135 HydrophobicContact CG-CD1 4.31Å; M131-L135 HydrophobicContact CG-CG 4.47Å; M131-L135 WeakPolarHBondContact O-CG 3.36Å; M131-L135 PolarHBondContact O-N 2.7Å; M131-L135 HydrophobicContact SD-CG 4.46Å; S132-L135 PolarHBondContact O-N 3.3Å; L135-N137 PolarHBondContact O-N 2.99Å; L135-M138 HydrophobicContact CD2-SD 3.78Å; L135-M138 WeakPolarHBondContact O-CB 3.17Å; L135-M138 PolarHBondContact O-N 3.08Å; L135-M138 VanDerWaalsContact O-N 3.1Å; L135-I144 HydrophobicContact CD2-CD1 3.82Å
136	D	98.3	Very high	97.9	Very high	21 Å²	21	48 Å²	48	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-37.8	-179.9	-163.6	20.3	0	0	0	112.7	K54 K62 I116 Y118 S132 Q133 Y134 M138	K54-D136 PolarHBondContact NZ-O 2.89Å; K62-D136 VanDerWaalsContact CD-OD1 3.23Å; K62-D136 WeakPolarHBondContact CD-OD1 3.38Å; K62-D136 WeakPolarHBondContact CE-OD1 3.45Å; K62-D136 IonicContact NZ-OD1 2.67Å; K62-D136 PolarHBondContact NZ-OD1 3.45Å; K62-D136 IonicContact NZ-OD2 3.63Å; I116-D136 HydrophobicContact CD1-CB 4.14Å; I116-D136 HydrophobicContact CG1-CB 4.37Å; I116-D136 HydrophobicContact CG2-CB 3.99Å; Y118-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y118-D136 PolarHBondContact OH-OD2 3.37Å; S132-D136 PolarHBondContact O-N 3.47Å; Q133-D136 PolarHBondContact O-N 2.98Å; Y134-D136 VanDerWaalsContact C-N 3.34Å; Y134-D136 PolarHBondContact O-N 2.61Å; D136-M138 VanDerWaalsContact C-N 3.34Å; D136-M138 PolarHBondContact O-N 2.78Å
137	N	98.1	Very high	98.1	Very high	133 Å²	133	48.5 Å²	48.5	71%	0.711	28%	0.275	S	S	*	.	H	α-helix	trans	-79.5	-9.2	179.7	-70.3	-46.7	0	0	0	114.5	Q133 Y134 L135 A139	Q133-N137 PolarHBondContact O-N 3.43Å; Q133-N137 VanDerWaalsContact O-N 3.16Å; Q133-N137 PolarHBondContact O-ND2 2.95Å; Y134-N137 PolarHBondContact O-N 3Å; L135-N137 PolarHBondContact O-N 2.99Å; N137-A139 PolarHBondContact O-N 3.13Å
138	M	98.4	Very high	98.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.02	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.1	134.2	177	-70.5	179.6	69	0	0	111.1	L51 K54 F66 Y134 L135 D136 D142 I144	L51-M138 HydrophobicContact CB-CE 4.11Å; L51-M138 HydrophobicContact CD2-CB 3.75Å; K54-M138 PolarHBondContact NZ-O 3.39Å; F66-M138 HydrophobicContact CE1-CE 4.1Å; F66-M138 HydrophobicContact CE1-SD 4.47Å; Y134-M138 HydrophobicContact CD1-CG 4.44Å; Y134-M138 HydrophobicContact CD1-SD 4.38Å; Y134-M138 HydrophobicContact CE1-CG 4.16Å; Y134-M138 HydrophobicContact CE1-SD 4.02Å; Y134-M138 PolarHBondContact O-N 3.4Å; L135-M138 HydrophobicContact CD2-SD 3.78Å; L135-M138 WeakPolarHBondContact O-CB 3.17Å; L135-M138 PolarHBondContact O-N 3.08Å; L135-M138 VanDerWaalsContact O-N 3.1Å; D136-M138 VanDerWaalsContact C-N 3.34Å; D136-M138 PolarHBondContact O-N 2.78Å; M138-D142 HydrophobicContact CB-CB 4.21Å; M138-D142 HydrophobicContact CE-CB 3.69Å; M138-D142 WeakPolarHBondContact CE-O 3.34Å; M138-D142 HydrophobicContact CG-CB 4.46Å; M138-I144 HydrophobicContact CE-CB 4.07Å; M138-I144 HydrophobicContact CE-CG2 4.37Å; M138-I144 HydrophobicContact SD-CB 4.32Å
139	A	98.4	Very high	98.2	Very high	54 Å²	54	42.6 Å²	42.6	45%	0.446	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-79.4	158	168.1	0	0	0	0	0	110.8	N137 G141 D142	N137-A139 PolarHBondContact O-N 3.13Å; A139-G141 PolarHBondContact O-N 3.2Å; A139-D142 PolarHBondContact N-OD2 3.04Å; A139-D142 WeakPolarHBondContact O-CB 3.2Å; A139-D142 PolarHBondContact O-N 2.96Å; A139-D142 VanDerWaalsContact O-N 3.09Å
140	I	98.7	Very high	98.3	Very high	106 Å²	106	43.1 Å²	43.1	54%	0.544	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.8	168.5	-58.7	-56.3	0	0	0	108.3	L51 K54	L51-I140 HydrophobicContact CD2-CD1 4.23Å; L51-I140 HydrophobicContact CG-CD1 4.06Å; K54-I140 HydrophobicContact CB-CD1 4.17Å
141	G	98.5	Very high	98.2	Very high	50 Å²	50	39.7 Å²	39.7	52%	0.515	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	-23.1	-173	0	0	0	0	0	114.2	L51 A139	L51-G141 PolarHBondContact O-N 2.86Å; A139-G141 PolarHBondContact O-N 3.2Å
142	D	98.6	Very high	98.2	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	24%	0.24	S	C	.	.			trans	-63.8	143.2	174.5	-71.6	-15	0	0	0	110.3	P50 L51 M138 A139	P50-D142 CarbonylContact C-O 3.51Å; P50-D142 WeakPolarHBondContact CA-O 3.3Å; L51-D142 WeakPolarHBondContact CB-O 3.45Å; L51-D142 PolarHBondContact N-O 2.96Å; M138-D142 HydrophobicContact CB-CB 4.21Å; M138-D142 HydrophobicContact CE-CB 3.69Å; M138-D142 WeakPolarHBondContact CE-O 3.34Å; M138-D142 HydrophobicContact CG-CB 4.46Å; A139-D142 PolarHBondContact N-OD2 3.04Å; A139-D142 WeakPolarHBondContact O-CB 3.2Å; A139-D142 PolarHBondContact O-N 2.96Å; A139-D142 VanDerWaalsContact O-N 3.09Å
143	S	98.5	Very high	98.2	Very high	53 Å²	53	41.6 Å²	41.6	37%	0.371	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.2	-180	-60.1	0	0	0	0	112.6	S48 L49 P50	S48-S143 WeakPolarHBondContact OG-CB 3.43Å; L49-S143 VanDerWaalsContact O-CA 3.28Å; L49-S143 WeakPolarHBondContact O-CA 3.38Å; P50-S143 WeakPolarHBondContact CA-OG 3.31Å
144	I	98.7	Very high	98.3	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.7	172.8	-167	170.1	0	0	0	110.5	L49 F66 L85 A87 M131 Y134 L135 M138 F146	L49-I144 PolarHBondContact N-O 3.12Å; L49-I144 PolarHBondContact O-N 3.43Å; L49-I144 VanDerWaalsContact O-N 3.08Å; F66-I144 HydrophobicContact CD1-CG2 4Å; F66-I144 HydrophobicContact CE1-CG2 3.42Å; F66-I144 VanDerWaalsContact CE1-CG2 3.42Å; F66-I144 HydrophobicContact CZ-CG2 3.94Å; L85-I144 HydrophobicContact CB-CD1 3.93Å; L85-I144 HydrophobicContact CB-CG1 4.48Å; L85-I144 HydrophobicContact CD1-CD1 4.07Å; L85-I144 HydrophobicContact CD2-CG2 4.3Å; L85-I144 HydrophobicContact CG-CD1 4.46Å; A87-I144 HydrophobicContact CB-CD1 4.21Å; A87-I144 HydrophobicContact CB-CG1 4.4Å; M131-I144 HydrophobicContact SD-CD1 3.86Å; Y134-I144 HydrophobicContact CD1-CD1 4.14Å; Y134-I144 HydrophobicContact CE1-CD1 3.89Å; Y134-I144 HydrophobicContact CE1-CG1 4.41Å; L135-I144 HydrophobicContact CD2-CD1 3.82Å; M138-I144 HydrophobicContact CE-CB 4.07Å; M138-I144 HydrophobicContact CE-CG2 4.37Å; M138-I144 HydrophobicContact SD-CB 4.32Å; I144-F146 HydrophobicContact CG2-CD2 4.03Å; I144-F146 HydrophobicContact CG2-CE2 3.56Å; I144-F146 PolarHBondContact O-N 2.77Å
145	D	98.7	Very high	98.3	Very high	46 Å²	46	39 Å²	39	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.7	-179.6	-68.9	-19.8	0	0	0	111.3	K46 L85 S86	K46-D145 HydrophobicContact CB-CB 4.15Å; K46-D145 HydrophobicContact CD-CB 4.1Å; K46-D145 WeakPolarHBondContact CD-OD2 3.33Å; K46-D145 HydrophobicContact CG-CB 4.38Å; K46-D145 IonicContact NZ-OD2 3.49Å; K46-D145 PolarHBondContact NZ-OD2 3.14Å; L85-D145 VanDerWaalsContact CA-O 3.32Å; L85-D145 WeakPolarHBondContact CA-O 3.32Å; S86-D145 PolarHBondContact N-O 2.81Å; S86-D145 WeakPolarHBondContact OG-CB 3.43Å
146	F	98.8	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.8	167	-78.1	-114.5	0	0	0	110.4	K46 Y47 L49 F66 V83 Y84 L85 V110 L112 I144	K46-F146 CarbonylContact C-O 3.58Å; K46-F146 WeakPolarHBondContact CA-O 3.35Å; Y47-F146 PolarHBondContact N-O 3.14Å; Y47-F146 PolarHBondContact O-N 3.13Å; L49-F146 HydrophobicContact CB-CD2 3.85Å; L49-F146 HydrophobicContact CB-CE2 3.94Å; L49-F146 HydrophobicContact CD1-CB 4.15Å; L49-F146 HydrophobicContact CD1-CD1 4.04Å; L49-F146 HydrophobicContact CD1-CD2 3.63Å; L49-F146 HydrophobicContact CD1-CE1 4.35Å; L49-F146 HydrophobicContact CD1-CE2 3.96Å; L49-F146 HydrophobicContact CD1-CG 3.68Å; L49-F146 HydrophobicContact CD1-CZ 4.31Å; L49-F146 HydrophobicContact CG-CB 4.41Å; L49-F146 HydrophobicContact CG-CD2 3.78Å; L49-F146 HydrophobicContact CG-CE2 4.28Å; L49-F146 HydrophobicContact CG-CG 4.17Å; F66-F146 HydrophobicContact CB-CE2 4.2Å; F66-F146 HydrophobicContact CB-CZ 4.14Å; F66-F146 AromaticContact CD1-CE2 3.92Å; F66-F146 HydrophobicContact CD1-CE2 3.92Å; F66-F146 HydrophobicContact CD1-CZ 4.29Å; F66-F146 HydrophobicContact CD2-CE2 4.04Å; F66-F146 AromaticContact CD2-CZ 3.55Å; F66-F146 HydrophobicContact CD2-CZ 3.55Å; F66-F146 HydrophobicContact CE1-CE2 4.3Å; F66-F146 HydrophobicContact CE2-CE2 4.39Å; F66-F146 AromaticContact CE2-CZ 3.97Å; F66-F146 HydrophobicContact CE2-CZ 3.97Å; F66-F146 AromaticContact CG-CE2 3.78Å; F66-F146 HydrophobicContact CG-CE2 3.78Å; F66-F146 AromaticContact CG-CZ 3.73Å; F66-F146 HydrophobicContact CG-CZ 3.73Å; V83-F146 HydrophobicContact CB-CD1 4.2Å; V83-F146 HydrophobicContact CG1-CD1 4.41Å; V83-F146 HydrophobicContact CG2-CD1 3.8Å; V83-F146 HydrophobicContact CG2-CE1 3.99Å; Y84-F146 CarbonylContact O-C 3.6Å; Y84-F146 WeakPolarHBondContact O-CA 3.33Å; L85-F146 HydrophobicContact CD2-CD1 3.7Å; L85-F146 HydrophobicContact CD2-CD2 3.56Å; L85-F146 HydrophobicContact CD2-CE1 3.62Å; L85-F146 HydrophobicContact CD2-CE2 3.49Å; L85-F146 VanDerWaalsContact CD2-CE2 3.49Å; L85-F146 HydrophobicContact CD2-CG 3.66Å; L85-F146 HydrophobicContact CD2-CZ 3.51Å; V110-F146 HydrophobicContact CG1-CE1 3.83Å; V110-F146 HydrophobicContact CG1-CZ 3.98Å; V110-F146 HydrophobicContact CG2-CE1 4.42Å; L112-F146 HydrophobicContact CD1-CE1 4.2Å; L112-F146 HydrophobicContact CD1-CZ 4.01Å; I144-F146 HydrophobicContact CG2-CD2 4.03Å; I144-F146 HydrophobicContact CG2-CE2 3.56Å; I144-F146 PolarHBondContact O-N 2.77Å
147	R	98.4	Very high	98.2	Very high	89 Å²	89	44.7 Å²	44.7	34%	0.336	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	131.5	170.5	-179.9	174.3	68.2	160.5	3.7	110.8	P43 T44 I45 V83 Y84	P43-R147 WeakPolarHBondContact O-CD 3.35Å; P43-R147 WeakPolarHBondContact O-CG 3.39Å; T44-R147 WeakPolarHBondContact O-CD 3.44Å; I45-R147 WeakPolarHBondContact O-CG 3.46Å; V83-R147 CarbonylContact C-O 3.55Å; Y84-R147 PolarHBondContact N-O 2.87Å; Y84-R147 PolarHBondContact O-N 3.03Å
148	G	97.4	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-173.3	-178.8	0	0	0	0	0	111.6	L40 P43	L40-G148 WeakPolarHBondContact CB-O 3.49Å; P43-G148 VanDerWaalsContact CA-O 3.27Å; P43-G148 WeakPolarHBondContact CA-O 3.28Å
149	P	97.3	Very high	98.2	Very high	28 Å²	28	43.4 Å²	43.4	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.8	153.4	2.5	33.9	-38.5	0	0	0	112.8	L77 P78 Q81	L77-P149 HydrophobicContact CD1-CB 3.54Å; P78-P149 HydrophobicContact CG-CG 4.48Å; Q81-P149 HydrophobicContact CB-CB 4.34Å
150	N	97.6	Very high	98.2	Very high	26 Å²	26	44 Å²	44	14%	0.139	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.3	175.5	-91.8	-95.8	0	0	0	111.3	Q81 H82 Y84	Q81-N150 CarbonylContact C-O 3.53Å; Q81-N150 WeakPolarHBondContact CA-O 3.33Å; Q81-N150 VanDerWaalsContact CB-O 3.23Å; Q81-N150 WeakPolarHBondContact CB-O 3.28Å; H82-N150 PolarHBondContact N-O 2.89Å; H82-N150 PolarHBondContact ND1-O 3.26Å; H82-N150 PolarHBondContact O-N 2.77Å; Y84-N150 HydrophobicContact CD2-CB 4.11Å; Y84-N150 HydrophobicContact CE2-CB 3.59Å
151	G	97.1	Very high	98.2	Very high	24 Å²	24	39 Å²	39	25%	0.247	21%	0.212	C	C	.	.			trans	144	154.5	179.5	0	0	0	0	0	110.6	Q81	Q81-G151 PolarHBondContact NE2-O 2.79Å
152	L	98	Very high	98.2	Very high	49 Å²	49	37 Å²	37	26%	0.257	19%	0.191	S	C	.	.	S	Bend	trans	-96	-10.9	-176.3	-60.5	-179.7	0	0	0	113	I163 R164 K167 F303	L152-I163 CarbonylContact O-C 3.55Å; L152-I163 WeakPolarHBondContact O-CA 3.35Å; L152-R164 HydrophobicContact CB-CB 4.25Å; L152-R164 HydrophobicContact CD2-CB 4.06Å; L152-R164 PolarHBondContact O-N 3.2Å; L152-K167 HydrophobicContact CD2-CG 3.98Å; L152-F303 HydrophobicContact CB-CE2 3.83Å; L152-F303 HydrophobicContact CB-CZ 4.03Å
153	L	98.5	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.1	180	-179.2	155.9	0	0	0	109.7	G80 F161 S162 I163 L194 L274 V276 F303	G80-L153 CarbonylContact C-O 3.53Å; G80-L153 VanDerWaalsContact O-O 3.08Å; L153-F161 HydrophobicContact CD1-CD1 4.03Å; L153-F161 HydrophobicContact CD1-CE1 4.42Å; L153-F161 HydrophobicContact CD2-CD1 3.86Å; L153-F161 HydrophobicContact CD2-CE1 4.09Å; L153-F161 HydrophobicContact CG-CD1 4.01Å; L153-S162 WeakPolarHBondContact CA-O 3.43Å; L153-I163 HydrophobicContact CB-CG1 4.43Å; L153-I163 HydrophobicContact CD1-CD1 4.1Å; L153-I163 HydrophobicContact CD1-CG1 4.2Å; L153-I163 HydrophobicContact CG-CG1 4.08Å; L153-L194 HydrophobicContact CD2-CD2 4.43Å; L153-L274 HydrophobicContact CD1-CD2 4.28Å; L153-V276 HydrophobicContact CD1-CG1 4.07Å; L153-F303 HydrophobicContact CB-CD1 4.14Å; L153-F303 HydrophobicContact CB-CD2 4.38Å; L153-F303 HydrophobicContact CB-CE1 3.7Å; L153-F303 HydrophobicContact CB-CE2 3.97Å; L153-F303 HydrophobicContact CB-CG 4.46Å; L153-F303 HydrophobicContact CB-CZ 3.61Å; L153-F303 HydrophobicContact CD1-CB 4.25Å; L153-F303 HydrophobicContact CD1-CD1 3.6Å; L153-F303 HydrophobicContact CD1-CD2 4.36Å; L153-F303 HydrophobicContact CD1-CE1 4.02Å; L153-F303 HydrophobicContact CD1-CG 3.8Å
154	I	98.6	Very high	98.1	Very high	47 Å²	47	36.4 Å²	36.4	24%	0.241	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.5	169.2	-60.2	172.6	0	0	0	108.8	P78 V79 Q81 K156 F161 S162	P78-I154 HydrophobicContact CB-CD1 4.3Å; P78-I154 HydrophobicContact CB-CG1 4.21Å; P78-I154 HydrophobicContact CB-CG2 3.93Å; V79-I154 CarbonylContact O-C 3.59Å; V79-I154 VanDerWaalsContact O-CA 3.31Å; V79-I154 WeakPolarHBondContact O-CA 3.2Å; Q81-I154 HydrophobicContact CG-CG1 4.02Å; I154-K156 HydrophobicContact CG2-CG 4.41Å; I154-F161 WeakPolarHBondContact O-CA 3.41Å; I154-S162 PolarHBondContact N-O 2.78Å; I154-S162 PolarHBondContact O-N 3.47Å
155	Y	98.6	Very high	97.9	Very high	10 Å²	10	40.5 Å²	40.5	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.1	168.7	-172.6	-122.1	0	0	0	110.2	V79 K158 G159 M160 F161 L194 R197 I198 D204 T206	V79-Y155 HydrophobicContact CG1-CD1 4.32Å; V79-Y155 PolarHBondContact O-N 2.77Å; Y155-K158 PolarHBondContact OH-N 3.41Å; Y155-K158 VanDerWaalsContact OH-N 3.14Å; Y155-G159 PolarHBondContact OH-N 2.86Å; Y155-M160 WeakPolarHBondContact CD2-O 3.38Å; Y155-F161 AromaticContact CD2-CD1 3.93Å; Y155-F161 HydrophobicContact CD2-CD1 3.93Å; Y155-F161 AromaticContact CD2-CD2 3.81Å; Y155-F161 HydrophobicContact CD2-CD2 3.81Å; Y155-F161 AromaticContact CD2-CE1 3.55Å; Y155-F161 HydrophobicContact CD2-CE1 3.55Å; Y155-F161 AromaticContact CD2-CE2 3.44Å; Y155-F161 HydrophobicContact CD2-CE2 3.44Å; Y155-F161 VanDerWaalsContact CD2-CE2 3.44Å; Y155-F161 HydrophobicContact CD2-CG 4.06Å; Y155-F161 AromaticContact CD2-CZ 3.28Å; Y155-F161 HydrophobicContact CD2-CZ 3.28Å; Y155-F161 AromaticContact CE2-CD2 3.98Å; Y155-F161 HydrophobicContact CE2-CD2 3.98Å; Y155-F161 HydrophobicContact CE2-CE1 4.32Å; Y155-F161 AromaticContact CE2-CE2 3.4Å; Y155-F161 HydrophobicContact CE2-CE2 3.4Å; Y155-F161 VanDerWaalsContact CE2-CE2 3.4Å; Y155-F161 AromaticContact CE2-CZ 3.59Å; Y155-F161 HydrophobicContact CE2-CZ 3.59Å; Y155-F161 HydrophobicContact CG-CE1 4.23Å; Y155-F161 HydrophobicContact CG-CZ 4.21Å; Y155-L194 HydrophobicContact CG-CD2 4.04Å; Y155-R197 HydrophobicContact CD1-CB 4.31Å; Y155-R197 HydrophobicContact CD1-CG 3.75Å; Y155-R197 HydrophobicContact CE1-CG 4.03Å; Y155-I198 HydrophobicContact CD1-CG1 4.37Å; Y155-I198 HydrophobicContact CE1-CD1 4.37Å; Y155-I198 HydrophobicContact CE1-CG1 3.51Å; Y155-I198 HydrophobicContact CE2-CG1 4.49Å; Y155-D204 PolarHBondContact OH-OD1 2.8Å; Y155-D204 PolarHBondContact OH-OD2 3.11Å; Y155-T206 PolarHBondContact OH-OG1 3.27Å
156	K	98	Very high	97.6	Very high	135 Å²	135	41.7 Å²	41.7	59%	0.587	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	-1.5	-178.9	-70	-171.4	158.1	-175.1	0	113.2	I154 M160	I154-K156 HydrophobicContact CG2-CG 4.41Å; K156-M160 HydrophobicContact CB-CB 3.97Å; K156-M160 PolarHBondContact N-O 3.27Å
157	G	97.8	Very high	97.3	Very high	6 Å²	6	48.8 Å²	48.8	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94	158.6	-176.4	0	0	0	0	0	113.1	G159 M160	G157-G159 VanDerWaalsContact C-N 3.25Å; G157-G159 PolarHBondContact O-N 3.47Å; G157-M160 VanDerWaalsContact O-CB 3.29Å; G157-M160 WeakPolarHBondContact O-CB 3.49Å; G157-M160 PolarHBondContact O-N 3.18Å
158	K	98.2	Very high	97.1	Very high	109 Å²	109	54 Å²	54	47%	0.474	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	40.4	173.9	-56.4	-177.7	-178	-179.3	0	113.6	Y155 M160 K175 D201 D204	Y155-K158 PolarHBondContact OH-N 3.41Å; Y155-K158 VanDerWaalsContact OH-N 3.14Å; K158-M160 VanDerWaalsContact C-N 3.27Å; K158-M160 PolarHBondContact O-N 2.99Å; K158-K175 VanDerWaalsContact O-CE 3.29Å; K158-K175 WeakPolarHBondContact O-CE 3.49Å; K158-D201 WeakPolarHBondContact CE-OD2 3.44Å; K158-D204 VanDerWaalsContact CA-CG 3.48Å; K158-D204 WeakPolarHBondContact CA-OD1 3.37Å; K158-D204 WeakPolarHBondContact CA-OD2 3.19Å; K158-D204 HydrophobicContact CG-CB 4.38Å; K158-D204 PolarHBondContact N-OD2 3.49Å
159	G	98.3	Very high	97	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	0.9	179.3	0	0	0	0	0	114.5	Y155 G157 F161 K175 F176 T206	Y155-G159 PolarHBondContact OH-N 2.86Å; G157-G159 VanDerWaalsContact C-N 3.25Å; G157-G159 PolarHBondContact O-N 3.47Å; G159-F161 WeakPolarHBondContact O-CD2 3.49Å; G159-K175 CarbonylContact O-C 3.51Å; G159-K175 VanDerWaalsContact O-CA 3.31Å; G159-K175 WeakPolarHBondContact O-CA 3.41Å; G159-F176 VanDerWaalsContact CA-O 3.23Å; G159-F176 WeakPolarHBondContact CA-O 3.35Å; G159-F176 PolarHBondContact O-N 3.1Å; G159-T206 WeakPolarHBondContact CA-OG1 3.25Å; G159-T206 PolarHBondContact N-OG1 2.89Å
160	M	98.6	Very high	96.9	Very high	66 Å²	66	62 Å²	62	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.7	-178.3	-62.3	-64.6	-71.2	0	0	110.8	Y155 K156 G157 K158 V173 K175	Y155-M160 WeakPolarHBondContact CD2-O 3.38Å; K156-M160 HydrophobicContact CB-CB 3.97Å; K156-M160 PolarHBondContact N-O 3.27Å; G157-M160 VanDerWaalsContact O-CB 3.29Å; G157-M160 WeakPolarHBondContact O-CB 3.49Å; G157-M160 PolarHBondContact O-N 3.18Å; K158-M160 VanDerWaalsContact C-N 3.27Å; K158-M160 PolarHBondContact O-N 2.99Å; M160-V173 HydrophobicContact CE-CG1 3.46Å; M160-V173 VanDerWaalsContact CE-CG1 3.46Å; M160-K175 HydrophobicContact SD-CB 3.56Å; M160-K175 VanDerWaalsContact SD-CB 3.56Å; M160-K175 HydrophobicContact SD-CD 3.97Å; M160-K175 HydrophobicContact SD-CG 3.74Å
161	F	98.6	Very high	96.9	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139	174.8	-72.5	-99.6	0	0	0	110	L153 I154 Y155 G159 I163 V173 Q174 F176 V179 L194 L274	L153-F161 HydrophobicContact CD1-CD1 4.03Å; L153-F161 HydrophobicContact CD1-CE1 4.42Å; L153-F161 HydrophobicContact CD2-CD1 3.86Å; L153-F161 HydrophobicContact CD2-CE1 4.09Å; L153-F161 HydrophobicContact CG-CD1 4.01Å; I154-F161 WeakPolarHBondContact O-CA 3.41Å; Y155-F161 AromaticContact CD2-CD1 3.93Å; Y155-F161 HydrophobicContact CD2-CD1 3.93Å; Y155-F161 AromaticContact CD2-CD2 3.81Å; Y155-F161 HydrophobicContact CD2-CD2 3.81Å; Y155-F161 AromaticContact CD2-CE1 3.55Å; Y155-F161 HydrophobicContact CD2-CE1 3.55Å; Y155-F161 AromaticContact CD2-CE2 3.44Å; Y155-F161 HydrophobicContact CD2-CE2 3.44Å; Y155-F161 VanDerWaalsContact CD2-CE2 3.44Å; Y155-F161 HydrophobicContact CD2-CG 4.06Å; Y155-F161 AromaticContact CD2-CZ 3.28Å; Y155-F161 HydrophobicContact CD2-CZ 3.28Å; Y155-F161 AromaticContact CE2-CD2 3.98Å; Y155-F161 HydrophobicContact CE2-CD2 3.98Å; Y155-F161 HydrophobicContact CE2-CE1 4.32Å; Y155-F161 AromaticContact CE2-CE2 3.4Å; Y155-F161 HydrophobicContact CE2-CE2 3.4Å; Y155-F161 VanDerWaalsContact CE2-CE2 3.4Å; Y155-F161 AromaticContact CE2-CZ 3.59Å; Y155-F161 HydrophobicContact CE2-CZ 3.59Å; Y155-F161 HydrophobicContact CG-CE1 4.23Å; Y155-F161 HydrophobicContact CG-CZ 4.21Å; G159-F161 WeakPolarHBondContact O-CD2 3.49Å; F161-I163 HydrophobicContact CB-CD1 4.13Å; F161-I163 HydrophobicContact CB-CG1 4.11Å; F161-V173 CarbonylContact O-C 3.56Å; F161-V173 VanDerWaalsContact O-CA 3.25Å; F161-V173 WeakPolarHBondContact O-CA 3.12Å; F161-Q174 PolarHBondContact N-O 3.33Å; F161-Q174 PolarHBondContact O-N 3.37Å; F161-F176 HydrophobicContact CB-CD2 4.12Å; F161-F176 HydrophobicContact CB-CE2 4.15Å; F161-F176 HydrophobicContact CD2-CB 4.42Å; F161-F176 AromaticContact CD2-CD2 3.66Å; F161-F176 HydrophobicContact CD2-CD2 3.66Å; F161-F176 HydrophobicContact CD2-CE2 4.48Å; F161-F176 HydrophobicContact CE2-CB 4.5Å; F161-F176 HydrophobicContact CE2-CD2 4.42Å; F161-F176 HydrophobicContact CG-CD2 4.13Å; F161-V179 HydrophobicContact CE2-CG2 3.84Å; F161-V179 HydrophobicContact CZ-CG2 3.65Å; F161-L194 HydrophobicContact CE1-CD1 4.44Å; F161-L194 HydrophobicContact CE1-CD2 3.82Å; F161-L194 HydrophobicContact CZ-CD2 4.3Å; F161-L274 HydrophobicContact CD1-CD2 3.61Å; F161-L274 HydrophobicContact CD2-CD2 4.12Å; F161-L274 HydrophobicContact CE1-CD2 3.71Å; F161-L274 HydrophobicContact CE2-CD2 4.19Å; F161-L274 HydrophobicContact CG-CD2 3.83Å; F161-L274 HydrophobicContact CZ-CD2 4Å
162	S	98.3	Very high	96.8	Very high	9 Å²	9	66 Å²	66	6%	0.063	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.8	173.4	168.6	0	0	0	0	107.6	L153 I154 P171 V172	L153-S162 WeakPolarHBondContact CA-O 3.43Å; I154-S162 PolarHBondContact N-O 2.78Å; I154-S162 PolarHBondContact O-N 3.47Å; S162-P171 VanDerWaalsContact OG-CB 3.25Å; S162-P171 WeakPolarHBondContact OG-CB 3.33Å; S162-V172 WeakPolarHBondContact CA-O 3.19Å
163	I	98.1	Very high	96.8	Very high	32 Å²	32	66.9 Å²	66.9	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.8	-171.3	-54.9	176.5	0	0	0	110	L152 L153 F161 P171 V172 F176 L274 F303	L152-I163 CarbonylContact O-C 3.55Å; L152-I163 WeakPolarHBondContact O-CA 3.35Å; L153-I163 HydrophobicContact CB-CG1 4.43Å; L153-I163 HydrophobicContact CD1-CD1 4.1Å; L153-I163 HydrophobicContact CD1-CG1 4.2Å; L153-I163 HydrophobicContact CG-CG1 4.08Å; F161-I163 HydrophobicContact CB-CD1 4.13Å; F161-I163 HydrophobicContact CB-CG1 4.11Å; I163-P171 CarbonylContact O-C 3.52Å; I163-P171 WeakPolarHBondContact O-CA 3.38Å; I163-V172 PolarHBondContact N-O 2.72Å; I163-V172 PolarHBondContact O-N 2.77Å; I163-F176 HydrophobicContact CD1-CE2 4.46Å; I163-L274 HydrophobicContact CD1-CD1 3.93Å; I163-L274 HydrophobicContact CD1-CD2 4.21Å; I163-F303 HydrophobicContact CG2-CD2 3.77Å; I163-F303 HydrophobicContact CG2-CE2 4.09Å
164	R	96.8	Very high	96.7	Very high	83 Å²	83	70.1 Å²	70.1	31%	0.313	36%	0.355	S	S	.	.			trans	-98.6	138.6	171.9	-62.9	-178.5	-178.9	-98.7	1.1	109.8	L152 N166 T169 E170 P171	L152-R164 HydrophobicContact CB-CB 4.25Å; L152-R164 HydrophobicContact CD2-CB 4.06Å; L152-R164 PolarHBondContact O-N 3.2Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 WeakPolarHBondContact CB-O 3.28Å; R164-T169 WeakPolarHBondContact CD-O 3.48Å; R164-T169 PolarHBondContact NH1-O 2.99Å; R164-E170 IonicContact NH1-OE2 3.97Å; R164-P171 HydrophobicContact CG-CB 3.78Å
165	A	93.7	Very high	96.7	Very high	89 Å²	89	74 Å²	74	74%	0.736	37%	0.37	S	S	*	.	S	Bend	trans	-67.7	-34.8	171.5	0	0	0	0	0	111.6	T169	A165-T169 PolarHBondContact N-OG1 3.12Å
166	N	94	Very high	96.7	Very high	72 Å²	72	73.6 Å²	73.6	39%	0.385	37%	0.369	S	S	.	.	S	Bend	trans	-155.5	177	171.5	63	68.1	0	0	0	111.1	R164 K168 T169	R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 WeakPolarHBondContact CB-O 3.28Å; N166-K168 PolarHBondContact O-N 3.21Å; N166-K168 VanDerWaalsContact O-N 3.07Å; N166-K168 WeakPolarHBondContact OD1-CA 3.46Å; N166-K168 WeakPolarHBondContact OD1-CB 3.4Å; N166-K168 PolarHBondContact OD1-N 3.21Å; N166-T169 PolarHBondContact N-OG1 3.04Å; N166-T169 VanDerWaalsContact ND2-CG2 3.35Å; N166-T169 WeakPolarHBondContact ND2-CG2 3.38Å; N166-T169 PolarHBondContact O-N 2.82Å; N166-T169 PolarHBondContact O-OG1 2.84Å; N166-T169 PolarHBondContact OD1-N 3.08Å
167	K	91.9	Very high	96.8	Very high	149 Å²	149	73.6 Å²	73.6	65%	0.648	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.7	-176.5	-67.1	-169.4	178.1	-168.1	0	114.8	L152	L152-K167 HydrophobicContact CD2-CG 3.98Å
168	K	94	Very high	96.8	Very high	199 Å²	199	75.2 Å²	75.2	87%	0.865	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-10.5	-176	-58.7	-177.1	178.7	-177.7	0	113.5	N166	N166-K168 PolarHBondContact O-N 3.21Å; N166-K168 VanDerWaalsContact O-N 3.07Å; N166-K168 WeakPolarHBondContact OD1-CA 3.46Å; N166-K168 WeakPolarHBondContact OD1-CB 3.4Å; N166-K168 PolarHBondContact OD1-N 3.21Å
169	T	94.5	Very high	96.8	Very high	47 Å²	47	70 Å²	70	29%	0.288	35%	0.352	S	S	.	.	S	Bend	trans	-94.1	143.9	-179.1	53.1	0	0	0	0	110.9	R164 A165 N166	R164-T169 WeakPolarHBondContact CD-O 3.48Å; R164-T169 PolarHBondContact NH1-O 2.99Å; A165-T169 PolarHBondContact N-OG1 3.12Å; N166-T169 PolarHBondContact N-OG1 3.04Å; N166-T169 VanDerWaalsContact ND2-CG2 3.35Å; N166-T169 WeakPolarHBondContact ND2-CG2 3.38Å; N166-T169 PolarHBondContact O-N 2.82Å; N166-T169 PolarHBondContact O-OG1 2.84Å; N166-T169 PolarHBondContact OD1-N 3.08Å
170	E	95.9	Very high	96.9	Very high	148 Å²	148	70 Å²	70	69%	0.692	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-58.8	147.8	168.6	-72	-50.5	130.6	0	0	111.7	R164	R164-E170 IonicContact NH1-OE2 3.97Å
171	P	96.5	Very high	96.9	Very high	38 Å²	38	66.8 Å²	66.8	25%	0.247	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-74.8	137.4	-179.6	29.8	-28.8	0	0	0	110.6	S162 I163 R164	S162-P171 VanDerWaalsContact OG-CB 3.25Å; S162-P171 WeakPolarHBondContact OG-CB 3.33Å; I163-P171 CarbonylContact O-C 3.52Å; I163-P171 WeakPolarHBondContact O-CA 3.38Å; R164-P171 HydrophobicContact CG-CB 3.78Å
172	V	96.6	Very high	96.9	Very high	95 Å²	95	66.8 Å²	66.8	58%	0.576	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	125.9	165.2	-179.5	0	0	0	0	107.8	S162 I163	S162-V172 WeakPolarHBondContact CA-O 3.19Å; I163-V172 PolarHBondContact N-O 2.72Å; I163-V172 PolarHBondContact O-N 2.77Å
173	V	97.7	Very high	96.9	Very high	69 Å²	69	66.4 Å²	66.4	42%	0.418	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.1	175.2	-177.4	0	0	0	0	108.8	M160 F161	M160-V173 HydrophobicContact CE-CG1 3.46Å; M160-V173 VanDerWaalsContact CE-CG1 3.46Å; F161-V173 CarbonylContact O-C 3.56Å; F161-V173 VanDerWaalsContact O-CA 3.25Å; F161-V173 WeakPolarHBondContact O-CA 3.12Å
174	Q	97.1	Very high	96.9	Very high	67 Å²	67	65.1 Å²	65.1	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.8	-178.9	-176.9	167.3	-23.5	0	0	110.8	F161 F176 R271	F161-Q174 PolarHBondContact N-O 3.33Å; F161-Q174 PolarHBondContact O-N 3.37Å; Q174-F176 HydrophobicContact CB-CE2 3.79Å; Q174-F176 HydrophobicContact CB-CZ 4.03Å; Q174-F176 HydrophobicContact CG-CD2 4.35Å; Q174-F176 HydrophobicContact CG-CE1 4.09Å; Q174-F176 HydrophobicContact CG-CE2 3.77Å; Q174-F176 HydrophobicContact CG-CZ 3.64Å; Q174-F176 VanDerWaalsContact NE2-CZ 3.31Å; Q174-R271 PolarHBondContact NE2-O 3.2Å
175	K	98.4	Very high	96.8	Very high	128 Å²	128	62.1 Å²	62.1	56%	0.557	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	128	174.9	-164.8	172.6	-178.1	173	0	110.1	K158 G159 M160	K158-K175 VanDerWaalsContact O-CE 3.29Å; K158-K175 WeakPolarHBondContact O-CE 3.49Å; G159-K175 CarbonylContact O-C 3.51Å; G159-K175 VanDerWaalsContact O-CA 3.31Å; G159-K175 WeakPolarHBondContact O-CA 3.41Å; M160-K175 HydrophobicContact SD-CB 3.56Å; M160-K175 VanDerWaalsContact SD-CB 3.56Å; M160-K175 HydrophobicContact SD-CD 3.97Å; M160-K175 HydrophobicContact SD-CG 3.74Å
176	F	98.6	Very high	96.8	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.013	30%	0.304	C	S	.	.			trans	-118.4	144	172.8	-60.6	-81.7	0	0	0	109.6	G159 F161 I163 Q174 D272 V273 L274	G159-F176 VanDerWaalsContact CA-O 3.23Å; G159-F176 WeakPolarHBondContact CA-O 3.35Å; G159-F176 PolarHBondContact O-N 3.1Å; F161-F176 HydrophobicContact CB-CD2 4.12Å; F161-F176 HydrophobicContact CB-CE2 4.15Å; F161-F176 HydrophobicContact CD2-CB 4.42Å; F161-F176 AromaticContact CD2-CD2 3.66Å; F161-F176 HydrophobicContact CD2-CD2 3.66Å; F161-F176 HydrophobicContact CD2-CE2 4.48Å; F161-F176 HydrophobicContact CE2-CB 4.5Å; F161-F176 HydrophobicContact CE2-CD2 4.42Å; F161-F176 HydrophobicContact CG-CD2 4.13Å; I163-F176 HydrophobicContact CD1-CE2 4.46Å; Q174-F176 HydrophobicContact CB-CE2 3.79Å; Q174-F176 HydrophobicContact CB-CZ 4.03Å; Q174-F176 HydrophobicContact CG-CD2 4.35Å; Q174-F176 HydrophobicContact CG-CE1 4.09Å; Q174-F176 HydrophobicContact CG-CE2 3.77Å; Q174-F176 HydrophobicContact CG-CZ 3.64Å; Q174-F176 VanDerWaalsContact NE2-CZ 3.31Å; F176-D272 CarbonylContact C-O 3.57Å; F176-D272 WeakPolarHBondContact CA-O 3.46Å; F176-V273 VanDerWaalsContact CD1-C 3.43Å; F176-L274 HydrophobicContact CB-CB 4.11Å; F176-L274 HydrophobicContact CD1-CB 3.68Å; F176-L274 HydrophobicContact CD2-CB 3.8Å; F176-L274 HydrophobicContact CD2-CD2 4.18Å; F176-L274 HydrophobicContact CD2-CG 4.44Å; F176-L274 HydrophobicContact CE1-CB 3.92Å; F176-L274 HydrophobicContact CE2-CB 4.04Å; F176-L274 HydrophobicContact CE2-CD1 4.15Å; F176-L274 HydrophobicContact CE2-CD2 4.25Å; F176-L274 HydrophobicContact CE2-CG 4.38Å; F176-L274 HydrophobicContact CG-CB 3.59Å; F176-L274 HydrophobicContact CZ-CB 4.09Å; F176-L274 HydrophobicContact CZ-CD1 4.04Å
177	K	98.6	Very high	97	Very high	135 Å²	135	57.2 Å²	57.2	59%	0.587	29%	0.286	S	S	*	.	S	Bend	trans	-95.3	-26.3	177.2	-65.2	177.8	-177.5	152	0	112.1	K207 D272	K177-K207 PolarHBondContact O-N 3.15Å; K177-D272 HydrophobicContact CB-CB 4.33Å; K177-D272 HydrophobicContact CD-CB 4.17Å; K177-D272 WeakPolarHBondContact CD-OD2 3.38Å; K177-D272 WeakPolarHBondContact CE-OD2 3.3Å; K177-D272 HydrophobicContact CG-CB 4.19Å; K177-D272 PolarHBondContact N-O 3.5Å; K177-D272 IonicContact NZ-OD2 2.76Å; K177-D272 PolarHBondContact NZ-OD2 3.13Å
178	H	98.8	Very high	97.2	Very high	39 Å²	39	50.1 Å²	50.1	18%	0.181	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.7	-179.2	-155.3	151.8	0	0	0	109.4	K207 S209 P267 D272 V273 L274	H178-K207 CarbonylContact C-O 3.53Å; H178-K207 WeakPolarHBondContact CA-O 3.46Å; H178-K207 HydrophobicContact CB-CB 4.37Å; H178-K207 PolarHBondContact CD2-O 3.24Å; H178-K207 VanDerWaalsContact CD2-O 3.31Å; H178-S209 PolarHBondContact CE1-OG 3.13Å; H178-S209 PolarHBondContact NE2-OG 2.8Å; H178-P267 HydrophobicContact CB-CB 4.32Å; H178-P267 HydrophobicContact CB-CG 4.24Å; H178-D272 PolarHBondContact N-O 3.05Å; H178-V273 HydrophobicContact CB-CG2 4.26Å; H178-V273 VanDerWaalsContact O-CA 3.32Å; H178-V273 WeakPolarHBondContact O-CA 3.32Å; H178-L274 PolarHBondContact O-N 2.99Å
179	V	98.9	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113	173.7	-172	0	0	0	0	108.7	F161 M181 T206 K207 C208 S209 L274 V276	F161-V179 HydrophobicContact CE2-CG2 3.84Å; F161-V179 HydrophobicContact CZ-CG2 3.65Å; V179-M181 HydrophobicContact CB-CE 3.94Å; V179-M181 HydrophobicContact CG1-CE 3.65Å; V179-M181 HydrophobicContact CG1-CG 3.95Å; V179-T206 HydrophobicContact CG2-CG2 3.88Å; V179-K207 PolarHBondContact N-O 2.98Å; V179-C208 WeakPolarHBondContact O-CA 3.36Å; V179-S209 PolarHBondContact O-N 3.45Å; V179-L274 CarbonylContact C-O 3.57Å; V179-L274 VanDerWaalsContact CA-O 3.26Å; V179-L274 WeakPolarHBondContact CA-O 3.36Å; V179-V276 HydrophobicContact CG1-CG1 4.32Å; V179-V276 HydrophobicContact CG1-CG2 3.78Å
180	G	98.9	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.3	165.5	0	0	0	0	0	109.7	S209 L274 I275 V276	G180-S209 CarbonylContact C-O 3.55Å; G180-L274 PolarHBondContact N-O 2.78Å; G180-I275 CarbonylContact O-C 3.55Å; G180-I275 VanDerWaalsContact O-CA 3.27Å; G180-I275 WeakPolarHBondContact O-CA 3.49Å; G180-V276 PolarHBondContact O-N 3.24Å
181	M	98.9	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.6	-174.2	-53.5	-179.7	174.6	0	0	108.5	V179 M191 L194 I195 C208 S209 L210 I211 V276	V179-M181 HydrophobicContact CB-CE 3.94Å; V179-M181 HydrophobicContact CG1-CE 3.65Å; V179-M181 HydrophobicContact CG1-CG 3.95Å; M181-M191 HydrophobicContact CB-CG 4.28Å; M181-M191 HydrophobicContact CB-SD 4.02Å; M181-M191 HydrophobicContact CG-SD 4.24Å; M181-M191 HydrophobicContact SD-CB 3.89Å; M181-M191 HydrophobicContact SD-CG 4.49Å; M181-M191 HydrophobicContact SD-SD 4.41Å; M181-L194 HydrophobicContact CE-CB 3.95Å; M181-L194 HydrophobicContact CE-CD1 4.09Å; M181-I195 HydrophobicContact CE-CG1 3.96Å; M181-I195 HydrophobicContact SD-CD1 3.83Å; M181-I195 HydrophobicContact SD-CG1 3.8Å; M181-C208 HydrophobicContact CE-CB 3.87Å; M181-C208 VanDerWaalsContact CE-SG 3.51Å; M181-C208 HydrophobicContact SD-CB 4.3Å; M181-S209 PolarHBondContact N-O 3.35Å; M181-L210 HydrophobicContact CB-CB 4.25Å; M181-L210 HydrophobicContact CB-CD1 3.69Å; M181-L210 CarbonylContact O-C 3.47Å; M181-L210 WeakPolarHBondContact O-CA 3.5Å; M181-I211 PolarHBondContact O-N 3.35Å; M181-V276 WeakPolarHBondContact CA-O 3.39Å; M181-V276 HydrophobicContact CB-CG2 4.05Å; M181-V276 HydrophobicContact CG-CG2 3.6Å
182	I	98.9	Very high	97.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111.1	173.4	-49.6	175	0	0	0	108	I211 V257 I262 I266 V276 L277 C278 M283 L292	I182-I211 WeakPolarHBondContact CA-O 3.41Å; I182-I211 HydrophobicContact CG2-CB 4.34Å; I182-I211 HydrophobicContact CG2-CG2 4.49Å; I182-V257 HydrophobicContact CG2-CG1 4.31Å; I182-V257 HydrophobicContact CG2-CG2 4.03Å; I182-I262 HydrophobicContact CD1-CD1 3.87Å; I182-I262 HydrophobicContact CD1-CG1 3.94Å; I182-I266 HydrophobicContact CD1-CG1 4.42Å; I182-I266 HydrophobicContact CG1-CD1 4.14Å; I182-I266 HydrophobicContact CG1-CG1 4.29Å; I182-V276 PolarHBondContact N-O 3.06Å; I182-L277 HydrophobicContact CB-CD2 3.67Å; I182-L277 HydrophobicContact CD1-CD2 3.85Å; I182-L277 HydrophobicContact CG1-CD2 3.95Å; I182-L277 WeakPolarHBondContact O-CA 3.35Å; I182-C278 PolarHBondContact O-N 3.28Å; I182-C278 VanDerWaalsContact O-N 3.13Å; I182-M283 HydrophobicContact CG2-CE 3.55Å; I182-L292 HydrophobicContact CD1-CD1 4.43Å
183	A	98.8	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.6	-174.8	0	0	0	0	0	111.8	I188 M191 L210 I211 F212 A213 C278	A183-I188 HydrophobicContact CB-CD1 4.29Å; A183-M191 HydrophobicContact CB-CG 3.95Å; A183-L210 HydrophobicContact CB-CD1 3.97Å; A183-I211 PolarHBondContact N-O 2.97Å; A183-F212 HydrophobicContact CB-CD2 3.84Å; A183-F212 HydrophobicContact CB-CE2 4.32Å; A183-A213 PolarHBondContact O-N 2.86Å; A183-C278 CarbonylContact C-O 3.5Å; A183-C278 VanDerWaalsContact CA-O 3.25Å; A183-C278 WeakPolarHBondContact CA-O 3.37Å
184	G	97.8	Very high	97.9	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122	172.5	0	0	0	0	0	111.9	T186 G187 A213 C278	G184-T186 PolarHBondContact O-N 3.04Å; G184-G187 PolarHBondContact O-N 2.87Å; G184-A213 WeakPolarHBondContact CA-O 3.42Å; G184-C278 PolarHBondContact N-O 2.91Å
185	G	94.3	Very high	97.9	Very high	20 Å²	20	20.1 Å²	20.1	21%	0.206	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	51.9	-121.6	179.2	0	0	0	0	0	113.2	G187 I188 F212 A213 N214	G185-G187 PolarHBondContact O-N 3.43Å; G185-I188 PolarHBondContact O-N 3.05Å; G185-F212 VanDerWaalsContact O-CE2 3.28Å; G185-F212 WeakPolarHBondContact O-CE2 3.27Å; G185-A213 PolarHBondContact N-O 3.25Å; G185-N214 WeakPolarHBondContact CA-OD1 3.29Å
186	T	94.6	Very high	97.8	Very high	56 Å²	56	17.9 Å²	17.9	34%	0.344	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-64	-11	179.6	54.8	0	0	0	0	114.4	K115 G184 I188 L221	K115-T186 HydrophobicContact CB-CG2 3.47Å; K115-T186 VanDerWaalsContact CB-CG2 3.47Å; G184-T186 PolarHBondContact O-N 3.04Å; T186-I188 PolarHBondContact O-N 2.85Å; T186-I188 VanDerWaalsContact O-N 3.1Å; T186-L221 HydrophobicContact CG2-CD1 3.94Å
187	G	96.8	Very high	97.8	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-67.9	1	174.2	0	0	0	0	0	114.9	G184 G185 P190 C278	G184-G187 PolarHBondContact O-N 2.87Å; G185-G187 PolarHBondContact O-N 3.43Å; G187-P190 WeakPolarHBondContact O-CD 3.47Å; G187-C278 VanDerWaalsContact CA-SG 3.52Å; G187-C278 WeakPolarHBondContact O-CB 3.42Å
188	I	97.8	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-71	-29.2	174.9	-170.1	59.6	0	0	0	113.6	A183 G185 T186 M191 L192 L210 F212 L221 L222 L226	A183-I188 HydrophobicContact CB-CD1 4.29Å; G185-I188 PolarHBondContact O-N 3.05Å; T186-I188 PolarHBondContact O-N 2.85Å; T186-I188 VanDerWaalsContact O-N 3.1Å; I188-M191 HydrophobicContact CD1-CB 4.28Å; I188-M191 WeakPolarHBondContact O-CA 3.41Å; I188-M191 WeakPolarHBondContact O-CB 3.48Å; I188-M191 PolarHBondContact O-N 2.85Å; I188-L192 PolarHBondContact O-N 3.29Å; I188-L210 HydrophobicContact CD1-CD1 4.37Å; I188-L210 HydrophobicContact CD1-CD2 3.55Å; I188-F212 HydrophobicContact CB-CD2 4.4Å; I188-F212 HydrophobicContact CB-CE1 4.11Å; I188-F212 HydrophobicContact CB-CE2 3.71Å; I188-F212 HydrophobicContact CB-CZ 3.54Å; I188-F212 HydrophobicContact CD1-CD1 4.03Å; I188-F212 HydrophobicContact CD1-CD2 4.24Å; I188-F212 HydrophobicContact CD1-CE1 4.11Å; I188-F212 HydrophobicContact CD1-CE2 4.34Å; I188-F212 HydrophobicContact CD1-CG 4.11Å; I188-F212 HydrophobicContact CD1-CZ 4.28Å; I188-F212 HydrophobicContact CG1-CD1 4.35Å; I188-F212 HydrophobicContact CG1-CE1 3.91Å; I188-F212 HydrophobicContact CG1-CE2 4.28Å; I188-F212 HydrophobicContact CG1-CZ 3.89Å; I188-F212 HydrophobicContact CG2-CE2 4.39Å; I188-F212 HydrophobicContact CG2-CZ 3.87Å; I188-L221 HydrophobicContact CG2-CB 3.99Å; I188-L221 HydrophobicContact CG2-CD1 4.17Å; I188-L222 HydrophobicContact CG2-CD1 4.12Å; I188-L226 HydrophobicContact CD1-CD1 4.12Å; I188-L226 HydrophobicContact CD1-CD2 4.36Å; I188-L226 HydrophobicContact CG1-CD1 4.33Å
189	T	97.6	Very high	97.6	Very high	12 Å²	12	14 Å²	14	7%	0.074	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-37.3	-169.4	58.7	0	0	0	0	114.2	T99 V101 M191 L192 Q193 L222	T99-T189 WeakPolarHBondContact O-CB 3.32Å; T99-T189 PolarHBondContact O-OG1 3.02Å; V101-T189 HydrophobicContact CG1-CG2 3.88Å; T189-M191 VanDerWaalsContact C-N 3.32Å; T189-M191 PolarHBondContact O-N 3.15Å; T189-L192 PolarHBondContact O-N 3.43Å; T189-Q193 PolarHBondContact O-N 3.32Å; T189-L222 HydrophobicContact CG2-CD1 4.47Å
190	P	98.3	Very high	97.5	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-36.1	170	-16.7	30.5	0	0	0	113.2	G187 Q193 L194 C278 Y305	G187-P190 WeakPolarHBondContact O-CD 3.47Å; P190-Q193 PolarHBondContact O-N 2.88Å; P190-L194 PolarHBondContact O-N 3.47Å; P190-C278 HydrophobicContact CG-CB 4.41Å; P190-Y305 HydrophobicContact CB-CD1 3.81Å; P190-Y305 HydrophobicContact CB-CD2 3.93Å; P190-Y305 HydrophobicContact CB-CE1 3.64Å; P190-Y305 HydrophobicContact CB-CE2 3.75Å; P190-Y305 HydrophobicContact CB-CG 3.95Å; P190-Y305 HydrophobicContact CG-CD1 4.22Å; P190-Y305 HydrophobicContact CG-CD2 4.44Å; P190-Y305 HydrophobicContact CG-CG 4.18Å
191	M	98.6	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-44.7	178.2	-49.4	-46.8	172.1	0	0	110.6	M181 A183 I188 T189 Q193 L194 I195 L210 V276 C278 Y305	M181-M191 HydrophobicContact CB-CG 4.28Å; M181-M191 HydrophobicContact CB-SD 4.02Å; M181-M191 HydrophobicContact CG-SD 4.24Å; M181-M191 HydrophobicContact SD-CB 3.89Å; M181-M191 HydrophobicContact SD-CG 4.49Å; M181-M191 HydrophobicContact SD-SD 4.41Å; A183-M191 HydrophobicContact CB-CG 3.95Å; I188-M191 HydrophobicContact CD1-CB 4.28Å; I188-M191 WeakPolarHBondContact O-CA 3.41Å; I188-M191 WeakPolarHBondContact O-CB 3.48Å; I188-M191 PolarHBondContact O-N 2.85Å; T189-M191 VanDerWaalsContact C-N 3.32Å; T189-M191 PolarHBondContact O-N 3.15Å; M191-Q193 VanDerWaalsContact C-N 3.3Å; M191-Q193 PolarHBondContact O-N 3.41Å; M191-L194 WeakPolarHBondContact O-CB 3.38Å; M191-L194 PolarHBondContact O-N 2.87Å; M191-I195 WeakPolarHBondContact O-CB 3.34Å; M191-I195 VanDerWaalsContact O-CG1 3.28Å; M191-I195 WeakPolarHBondContact O-CG1 3.33Å; M191-I195 PolarHBondContact O-N 3.07Å; M191-L210 HydrophobicContact CG-CD1 4.36Å; M191-V276 HydrophobicContact CE-CB 4.39Å; M191-V276 HydrophobicContact CE-CG2 4.11Å; M191-V276 HydrophobicContact SD-CB 4.28Å; M191-V276 HydrophobicContact SD-CG2 3.5Å; M191-V276 WeakPolarHBondContact SD-CG2 3.44Å; M191-C278 HydrophobicContact CE-CB 3.55Å; M191-Y305 HydrophobicContact CE-CD2 4.09Å; M191-Y305 HydrophobicContact CE-CE2 4.15Å; M191-Y305 HydrophobicContact SD-CE2 4.17Å
192	L	97.3	Very high	97.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-38.6	178.7	-173.8	62.6	0	0	0	111.9	I188 T189 L194 I195 R196 L222 E225 L226	I188-L192 PolarHBondContact O-N 3.29Å; T189-L192 PolarHBondContact O-N 3.43Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 2.87Å; L192-I195 PolarHBondContact O-N 3.43Å; L192-R196 HydrophobicContact CD1-CG 4.23Å; L192-R196 HydrophobicContact CG-CG 4.33Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 WeakPolarHBondContact O-CG 3.37Å; L192-R196 PolarHBondContact O-N 3.44Å; L192-L222 HydrophobicContact CD2-CD1 3.42Å; L192-L222 VanDerWaalsContact CD2-CD1 3.42Å; L192-L222 HydrophobicContact CD2-CG 4.38Å; L192-E225 WeakPolarHBondContact CD1-OE1 3.31Å; L192-E225 WeakPolarHBondContact CD2-OE1 3.36Å; L192-L226 HydrophobicContact CD1-CD2 4.28Å
193	Q	97.8	Very high	97	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.075	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-42.9	175.1	-161	-167.2	42.9	0	0	111.6	V79 T99 T189 P190 M191 R197	V79-Q193 HydrophobicContact CG1-CG 4.18Å; T99-Q193 HydrophobicContact CG2-CB 4.27Å; T189-Q193 PolarHBondContact O-N 3.32Å; P190-Q193 PolarHBondContact O-N 2.88Å; M191-Q193 VanDerWaalsContact C-N 3.3Å; M191-Q193 PolarHBondContact O-N 3.41Å; Q193-R197 WeakPolarHBondContact O-CB 3.34Å; Q193-R197 PolarHBondContact O-N 2.99Å
194	L	98.5	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-50.6	174.1	-70.9	174.3	0	0	0	111.8	V79 L153 Y155 F161 M181 P190 M191 L192 R196 R197 I198 V276 Y305	V79-L194 HydrophobicContact CG1-CD2 3.98Å; L153-L194 HydrophobicContact CD2-CD2 4.43Å; Y155-L194 HydrophobicContact CG-CD2 4.04Å; F161-L194 HydrophobicContact CE1-CD1 4.44Å; F161-L194 HydrophobicContact CE1-CD2 3.82Å; F161-L194 HydrophobicContact CZ-CD2 4.3Å; M181-L194 HydrophobicContact CE-CB 3.95Å; M181-L194 HydrophobicContact CE-CD1 4.09Å; P190-L194 PolarHBondContact O-N 3.47Å; M191-L194 WeakPolarHBondContact O-CB 3.38Å; M191-L194 PolarHBondContact O-N 2.87Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 2.87Å; L194-R196 PolarHBondContact O-N 3.18Å; L194-R197 PolarHBondContact O-N 2.86Å; L194-I198 WeakPolarHBondContact O-CB 3.34Å; L194-I198 VanDerWaalsContact O-CG1 3.29Å; L194-I198 WeakPolarHBondContact O-CG1 3.45Å; L194-I198 PolarHBondContact O-N 3.44Å; L194-V276 HydrophobicContact CD1-CG2 4.27Å; L194-Y305 VanDerWaalsContact CD1-OH 3.31Å; L194-Y305 WeakPolarHBondContact CD1-OH 3.48Å
195	I	98.3	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-49.2	-177.4	-72.8	167.5	0	0	0	110.6	M181 M191 L192 R197 I198 T199 C208 L210 V229 V237	M181-I195 HydrophobicContact CE-CG1 3.96Å; M181-I195 HydrophobicContact SD-CD1 3.83Å; M181-I195 HydrophobicContact SD-CG1 3.8Å; M191-I195 WeakPolarHBondContact O-CB 3.34Å; M191-I195 VanDerWaalsContact O-CG1 3.28Å; M191-I195 WeakPolarHBondContact O-CG1 3.33Å; M191-I195 PolarHBondContact O-N 3.07Å; L192-I195 PolarHBondContact O-N 3.43Å; I195-R197 PolarHBondContact O-N 3.07Å; I195-I198 PolarHBondContact O-N 2.88Å; I195-T199 HydrophobicContact CG2-CG2 4.49Å; I195-T199 WeakPolarHBondContact O-CB 3.08Å; I195-T199 WeakPolarHBondContact O-CG2 3.36Å; I195-T199 PolarHBondContact O-N 2.7Å; I195-T199 PolarHBondContact O-OG1 3.42Å; I195-C208 HydrophobicContact CG1-CB 4.18Å; I195-L210 HydrophobicContact CD1-CD2 4.36Å; I195-V229 HydrophobicContact CG2-CG1 3.56Å; I195-V237 HydrophobicContact CG2-CG1 4.37Å; I195-V237 HydrophobicContact CG2-CG2 4.14Å
196	R	96.6	Very high	97.2	Very high	82 Å²	82	31.3 Å²	31.3	31%	0.309	18%	0.177	S	C	.	.	H	α-helix	trans	-58.7	-46.9	177.3	-79.3	179.3	167.2	150.1	-15	111.8	V101 L192 L194 I198 T199 S200 E225	V101-R196 PolarHBondContact O-NH1 2.84Å; L192-R196 HydrophobicContact CD1-CG 4.23Å; L192-R196 HydrophobicContact CG-CG 4.33Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 WeakPolarHBondContact O-CG 3.37Å; L192-R196 PolarHBondContact O-N 3.44Å; L194-R196 PolarHBondContact O-N 3.18Å; R196-I198 VanDerWaalsContact C-N 3.33Å; R196-I198 PolarHBondContact O-N 3.2Å; R196-T199 WeakPolarHBondContact CA-OG1 3.1Å; R196-T199 PolarHBondContact O-N 3.33Å; R196-T199 PolarHBondContact O-OG1 3.34Å; R196-S200 WeakPolarHBondContact O-CB 3.46Å; R196-S200 PolarHBondContact O-N 2.93Å; R196-S200 PolarHBondContact O-OG 2.97Å; R196-E225 VanDerWaalsContact CZ-CD 3.44Å; R196-E225 IonicContact CZ-OE1 2.75Å; R196-E225 IonicContact CZ-OE2 3.44Å; R196-E225 IonicContact NE-OE1 2.7Å; R196-E225 PolarHBondContact NE-OE1 3.25Å; R196-E225 IonicContact NH1-OE1 3.66Å; R196-E225 IonicContact NH1-OE2 3.99Å; R196-E225 IonicContact NH2-OE1 2.68Å; R196-E225 PolarHBondContact NH2-OE1 3.33Å; R196-E225 IonicContact NH2-OE2 2.72Å; R196-E225 PolarHBondContact NH2-OE2 2.78Å
197	R	97.1	Very high	97.4	Very high	78 Å²	78	33.7 Å²	33.7	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-38.2	-179	-178.3	63.1	-169.5	102.8	-2.4	112.8	V79 Y155 Q193 L194 I195 S200	V79-R197 HydrophobicContact CB-CG 4.4Å; V79-R197 HydrophobicContact CG1-CB 3.9Å; V79-R197 HydrophobicContact CG1-CG 4.19Å; V79-R197 HydrophobicContact CG2-CB 4.03Å; V79-R197 HydrophobicContact CG2-CG 3.88Å; Y155-R197 HydrophobicContact CD1-CB 4.31Å; Y155-R197 HydrophobicContact CD1-CG 3.75Å; Y155-R197 HydrophobicContact CE1-CG 4.03Å; Q193-R197 WeakPolarHBondContact O-CB 3.34Å; Q193-R197 PolarHBondContact O-N 2.99Å; L194-R197 PolarHBondContact O-N 2.86Å; I195-R197 PolarHBondContact O-N 3.07Å; R197-S200 PolarHBondContact NH1-OG 3.28Å; R197-S200 PolarHBondContact O-OG 2.72Å
198	I	97.9	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-43.2	177.6	-71.7	165.4	0	0	0	110.4	Y155 L194 I195 R196 T206 C208	Y155-I198 HydrophobicContact CD1-CG1 4.37Å; Y155-I198 HydrophobicContact CE1-CD1 4.37Å; Y155-I198 HydrophobicContact CE1-CG1 3.51Å; Y155-I198 HydrophobicContact CE2-CG1 4.49Å; L194-I198 WeakPolarHBondContact O-CB 3.34Å; L194-I198 VanDerWaalsContact O-CG1 3.29Å; L194-I198 WeakPolarHBondContact O-CG1 3.45Å; L194-I198 PolarHBondContact O-N 3.44Å; I195-I198 PolarHBondContact O-N 2.88Å; R196-I198 VanDerWaalsContact C-N 3.33Å; R196-I198 PolarHBondContact O-N 3.2Å; I198-T206 HydrophobicContact CD1-CG2 4.01Å; I198-T206 VanDerWaalsContact CG2-O 3.29Å; I198-T206 WeakPolarHBondContact CG2-O 3.33Å; I198-C208 WeakPolarHBondContact CD1-SG 3.41Å
199	T	97	Very high	97.5	Very high	17 Å²	17	33.9 Å²	33.9	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-78	-24.9	-176.6	50.6	0	0	0	0	113.3	I195 R196 D201 V229 H233 V237	I195-T199 HydrophobicContact CG2-CG2 4.49Å; I195-T199 WeakPolarHBondContact O-CB 3.08Å; I195-T199 WeakPolarHBondContact O-CG2 3.36Å; I195-T199 PolarHBondContact O-N 2.7Å; I195-T199 PolarHBondContact O-OG1 3.42Å; R196-T199 WeakPolarHBondContact CA-OG1 3.1Å; R196-T199 PolarHBondContact O-N 3.33Å; R196-T199 PolarHBondContact O-OG1 3.34Å; T199-D201 VanDerWaalsContact C-N 3.31Å; T199-D201 PolarHBondContact O-N 2.92Å; T199-V229 HydrophobicContact CG2-CG1 4.25Å; T199-H233 HydrophobicContact CG2-CB 4.02Å; T199-V237 HydrophobicContact CG2-CG2 3.67Å
200	S	95.1	Very high	97.6	Very high	55 Å²	55	33.4 Å²	33.4	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.1	176.4	76.7	0	0	0	0	114.4	R196 R197 P202	R196-S200 WeakPolarHBondContact O-CB 3.46Å; R196-S200 PolarHBondContact O-N 2.93Å; R196-S200 PolarHBondContact O-OG 2.97Å; R197-S200 PolarHBondContact NH1-OG 3.28Å; R197-S200 PolarHBondContact O-OG 2.72Å; S200-P202 WeakPolarHBondContact O-CD 3.34Å
201	D	95.6	Very high	97.6	Very high	31 Å²	31	33.2 Å²	33.2	17%	0.166	18%	0.18	C	C	.	.			trans	-103.8	106.6	174.8	-177.2	-4.7	0	0	0	110.5	K158 T199 A203 D204	K158-D201 WeakPolarHBondContact CE-OD2 3.44Å; T199-D201 VanDerWaalsContact C-N 3.31Å; T199-D201 PolarHBondContact O-N 2.92Å; D201-A203 PolarHBondContact O-N 3.25Å; D201-A203 VanDerWaalsContact O-N 3.15Å; D201-A203 WeakPolarHBondContact OD1-CA 3.29Å; D201-A203 WeakPolarHBondContact OD1-CB 3.43Å; D201-A203 PolarHBondContact OD1-N 3.44Å; D201-D204 HydrophobicContact CB-CB 3.84Å; D201-D204 WeakPolarHBondContact O-CB 3.33Å; D201-D204 PolarHBondContact O-N 3.46Å
202	P	94.3	Very high	97.6	Very high	114 Å²	114	33.2 Å²	33.2	74%	0.74	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	177.5	-25.2	34.8	0	0	0	113.6	S200 D204	S200-P202 WeakPolarHBondContact O-CD 3.34Å; P202-D204 VanDerWaalsContact C-N 3.28Å; P202-D204 PolarHBondContact O-N 3.21Å
203	A	97.1	Very high	97.7	Very high	56 Å²	56	33.8 Å²	33.8	46%	0.463	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.2	178.9	0	0	0	0	0	113.3	D201	D201-A203 PolarHBondContact O-N 3.25Å; D201-A203 VanDerWaalsContact O-N 3.15Å; D201-A203 WeakPolarHBondContact OD1-CA 3.29Å; D201-A203 WeakPolarHBondContact OD1-CB 3.43Å; D201-A203 PolarHBondContact OD1-N 3.44Å
204	D	98.2	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.			trans	-87.8	108.5	175.3	-164.3	-22.8	0	0	0	110.8	Y155 K158 D201 P202 T206 K236	Y155-D204 PolarHBondContact OH-OD1 2.8Å; Y155-D204 PolarHBondContact OH-OD2 3.11Å; K158-D204 VanDerWaalsContact CA-CG 3.48Å; K158-D204 WeakPolarHBondContact CA-OD1 3.37Å; K158-D204 WeakPolarHBondContact CA-OD2 3.19Å; K158-D204 HydrophobicContact CG-CB 4.38Å; K158-D204 PolarHBondContact N-OD2 3.49Å; D201-D204 HydrophobicContact CB-CB 3.84Å; D201-D204 WeakPolarHBondContact O-CB 3.33Å; D201-D204 PolarHBondContact O-N 3.46Å; P202-D204 VanDerWaalsContact C-N 3.28Å; P202-D204 PolarHBondContact O-N 3.21Å; D204-T206 VanDerWaalsContact C-N 3.32Å; D204-T206 VanDerWaalsContact OD1-CB 3.24Å; D204-T206 WeakPolarHBondContact OD1-CB 3.43Å; D204-T206 PolarHBondContact OD1-N 3.49Å; D204-T206 VanDerWaalsContact OD1-N 3.09Å; D204-T206 PolarHBondContact OD1-OG1 2.8Å; D204-K236 WeakPolarHBondContact O-CE 3.27Å; D204-K236 PolarHBondContact O-NZ 3.41Å
205	N	97.6	Very high	97.4	Very high	129 Å²	129	37.8 Å²	37.8	69%	0.69	20%	0.204	S	C	*	.			trans	-92.4	12.8	-177.7	-67.8	-54.2	0	0	0	113.5
206	T	98.7	Very high	97.1	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.025	22%	0.216	C	C	.	.			trans	-66.6	134	178.9	-50	0	0	0	0	110.3	Y155 G159 V179 I198 D204	Y155-T206 PolarHBondContact OH-OG1 3.27Å; G159-T206 WeakPolarHBondContact CA-OG1 3.25Å; G159-T206 PolarHBondContact N-OG1 2.89Å; V179-T206 HydrophobicContact CG2-CG2 3.88Å; I198-T206 HydrophobicContact CD1-CG2 4.01Å; I198-T206 VanDerWaalsContact CG2-O 3.29Å; I198-T206 WeakPolarHBondContact CG2-O 3.33Å; D204-T206 VanDerWaalsContact C-N 3.32Å; D204-T206 VanDerWaalsContact OD1-CB 3.24Å; D204-T206 WeakPolarHBondContact OD1-CB 3.43Å; D204-T206 PolarHBondContact OD1-N 3.49Å; D204-T206 VanDerWaalsContact OD1-N 3.09Å; D204-T206 PolarHBondContact OD1-OG1 2.8Å
207	K	98.8	Very high	96.9	Very high	106 Å²	106	39.5 Å²	39.5	46%	0.461	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	150.4	175.5	-64.5	-176.3	176.9	-178.6	0	111.4	K177 H178 V179 K236	K177-K207 PolarHBondContact O-N 3.15Å; H178-K207 CarbonylContact C-O 3.53Å; H178-K207 WeakPolarHBondContact CA-O 3.46Å; H178-K207 HydrophobicContact CB-CB 4.37Å; H178-K207 PolarHBondContact CD2-O 3.24Å; H178-K207 VanDerWaalsContact CD2-O 3.31Å; V179-K207 PolarHBondContact N-O 2.98Å; K207-K236 CarbonylContact C-O 3.21Å; K207-K236 WeakPolarHBondContact CA-O 3.45Å
208	C	98.8	Very high	96.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	175.5	-57.8	0	0	0	0	110	V179 M181 I195 I198 K236 V237 K238	V179-C208 WeakPolarHBondContact O-CA 3.36Å; M181-C208 HydrophobicContact CE-CB 3.87Å; M181-C208 VanDerWaalsContact CE-SG 3.51Å; M181-C208 HydrophobicContact SD-CB 4.3Å; I195-C208 HydrophobicContact CG1-CB 4.18Å; I198-C208 WeakPolarHBondContact CD1-SG 3.41Å; C208-K236 PolarHBondContact N-O 3.4Å; C208-V237 HydrophobicContact CB-CG2 4.37Å; C208-V237 WeakPolarHBondContact O-CA 3.36Å; C208-K238 PolarHBondContact O-N 3.2Å
209	S	98.9	Very high	96.2	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.7	168.1	-78.4	0	0	0	0	108.7	H178 V179 G180 M181 K238 H265 I266	H178-S209 PolarHBondContact CE1-OG 3.13Å; H178-S209 PolarHBondContact NE2-OG 2.8Å; V179-S209 PolarHBondContact O-N 3.45Å; G180-S209 CarbonylContact C-O 3.55Å; M181-S209 PolarHBondContact N-O 3.35Å; S209-K238 CarbonylContact C-O 3.54Å; S209-K238 WeakPolarHBondContact CA-O 3.34Å; S209-H265 WeakPolarHBondContact CB-O 3.29Å; S209-H265 PolarHBondContact OG-O 2.99Å; S209-I266 WeakPolarHBondContact O-CD1 3.33Å
210	L	98.9	Very high	96	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.1	-177.1	172.6	63.9	0	0	0	110.9	M181 A183 I188 M191 I195 F212 L226 K238 V239 W240	M181-L210 HydrophobicContact CB-CB 4.25Å; M181-L210 HydrophobicContact CB-CD1 3.69Å; M181-L210 CarbonylContact O-C 3.47Å; M181-L210 WeakPolarHBondContact O-CA 3.5Å; A183-L210 HydrophobicContact CB-CD1 3.97Å; I188-L210 HydrophobicContact CD1-CD1 4.37Å; I188-L210 HydrophobicContact CD1-CD2 3.55Å; M191-L210 HydrophobicContact CG-CD1 4.36Å; I195-L210 HydrophobicContact CD1-CD2 4.36Å; L210-F212 HydrophobicContact CD1-CB 4.43Å; L210-F212 HydrophobicContact CD2-CB 4.25Å; L210-F212 HydrophobicContact CG-CB 4.16Å; L210-L226 HydrophobicContact CD2-CD2 4.15Å; L210-K238 PolarHBondContact N-O 2.94Å; L210-V239 HydrophobicContact CB-CG1 4.4Å; L210-V239 HydrophobicContact CB-CG2 4.47Å; L210-V239 HydrophobicContact CD2-CG1 3.95Å; L210-V239 HydrophobicContact CD2-CG2 4.42Å; L210-V239 HydrophobicContact CG-CG1 4.24Å; L210-V239 CarbonylContact O-C 3.57Å; L210-V239 WeakPolarHBondContact O-CA 3.37Å; L210-W240 PolarHBondContact O-N 3.34Å
211	I	98.9	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.9	156.7	-63.6	171.4	0	0	0	107.6	M181 I182 A183 W240 V257 M261 I262 H265 I266	M181-I211 PolarHBondContact O-N 3.35Å; I182-I211 WeakPolarHBondContact CA-O 3.41Å; I182-I211 HydrophobicContact CG2-CB 4.34Å; I182-I211 HydrophobicContact CG2-CG2 4.49Å; A183-I211 PolarHBondContact N-O 2.97Å; I211-W240 CarbonylContact C-O 3.56Å; I211-W240 WeakPolarHBondContact CA-O 3.44Å; I211-V257 HydrophobicContact CG2-CG2 4.11Å; I211-M261 HydrophobicContact CD1-CB 4.17Å; I211-M261 WeakPolarHBondContact CD1-O 3.38Å; I211-I262 HydrophobicContact CD1-CG1 4.16Å; I211-H265 HydrophobicContact CD1-CB 4.18Å; I211-H265 HydrophobicContact CG1-CB 3.96Å; I211-I266 HydrophobicContact CD1-CD1 4.08Å; I211-I266 HydrophobicContact CD1-CG1 3.66Å; I211-I266 HydrophobicContact CG1-CD1 4Å; I211-I266 HydrophobicContact CG1-CG1 4.15Å
212	F	98.7	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.9	179.6	-170.1	-157.9	0	0	0	112	A183 G185 I188 L210 N214 I220 L221 L226 W240 Y241 T242	A183-F212 HydrophobicContact CB-CD2 3.84Å; A183-F212 HydrophobicContact CB-CE2 4.32Å; G185-F212 VanDerWaalsContact O-CE2 3.28Å; G185-F212 WeakPolarHBondContact O-CE2 3.27Å; I188-F212 HydrophobicContact CB-CD2 4.4Å; I188-F212 HydrophobicContact CB-CE1 4.11Å; I188-F212 HydrophobicContact CB-CE2 3.71Å; I188-F212 HydrophobicContact CB-CZ 3.54Å; I188-F212 HydrophobicContact CD1-CD1 4.03Å; I188-F212 HydrophobicContact CD1-CD2 4.24Å; I188-F212 HydrophobicContact CD1-CE1 4.11Å; I188-F212 HydrophobicContact CD1-CE2 4.34Å; I188-F212 HydrophobicContact CD1-CG 4.11Å; I188-F212 HydrophobicContact CD1-CZ 4.28Å; I188-F212 HydrophobicContact CG1-CD1 4.35Å; I188-F212 HydrophobicContact CG1-CE1 3.91Å; I188-F212 HydrophobicContact CG1-CE2 4.28Å; I188-F212 HydrophobicContact CG1-CZ 3.89Å; I188-F212 HydrophobicContact CG2-CE2 4.39Å; I188-F212 HydrophobicContact CG2-CZ 3.87Å; L210-F212 HydrophobicContact CD1-CB 4.43Å; L210-F212 HydrophobicContact CD2-CB 4.25Å; L210-F212 HydrophobicContact CG-CB 4.16Å; F212-N214 WeakPolarHBondContact CE1-ND2 3.28Å; F212-N214 WeakPolarHBondContact CE2-ND2 3.34Å; F212-N214 VanDerWaalsContact CZ-ND2 3.35Å; F212-N214 WeakPolarHBondContact CZ-ND2 3.39Å; F212-I220 HydrophobicContact CD1-CG2 3.97Å; F212-I220 HydrophobicContact CE1-CG2 3.66Å; F212-L221 WeakPolarHBondContact CE1-O 3.38Å; F212-L221 HydrophobicContact CZ-CB 4.34Å; F212-L226 HydrophobicContact CD1-CD1 3.8Å; F212-L226 HydrophobicContact CE1-CD1 4.06Å; F212-W240 PolarHBondContact N-O 2.87Å; F212-Y241 HydrophobicContact CB-CD1 4.06Å; F212-Y241 HydrophobicContact CB-CE1 4.42Å; F212-Y241 HydrophobicContact CD1-CD1 4.17Å; F212-Y241 HydrophobicContact CD1-CE1 4.05Å; F212-Y241 WeakPolarHBondContact O-CA 3.31Å; F212-T242 PolarHBondContact O-N 2.88Å; F212-T242 VanDerWaalsContact O-N 3.08Å
213	A	98.4	Very high	95.5	Very high	13 Å²	13	39.2 Å²	39.2	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.5	-177.8	0	0	0	0	0	111.9	A183 G184 G185 T242 V257 M283	A183-A213 PolarHBondContact O-N 2.86Å; G184-A213 WeakPolarHBondContact CA-O 3.42Å; G185-A213 PolarHBondContact N-O 3.25Å; A213-T242 WeakPolarHBondContact CA-O 3.44Å; A213-T242 HydrophobicContact CB-CG2 3.63Å; A213-V257 HydrophobicContact CB-CG2 4.09Å; A213-M283 HydrophobicContact CB-CE 4.22Å; A213-M283 HydrophobicContact CB-SD 4.46Å
214	N	96.5	Very high	95.3	Very high	8 Å²	8	42 Å²	42	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	168.7	176.4	-65.9	-78.7	0	0	0	110.8	G185 F212 D219 I220 T242 L243 D244	G185-N214 WeakPolarHBondContact CA-OD1 3.29Å; F212-N214 WeakPolarHBondContact CE1-ND2 3.28Å; F212-N214 WeakPolarHBondContact CE2-ND2 3.34Å; F212-N214 VanDerWaalsContact CZ-ND2 3.35Å; F212-N214 WeakPolarHBondContact CZ-ND2 3.39Å; N214-D219 HydrophobicContact CB-CB 4.2Å; N214-D219 PolarHBondContact OD1-O 2.92Å; N214-I220 HydrophobicContact CB-CG1 4.11Å; N214-T242 PolarHBondContact N-O 3.28Å; N214-L243 HydrophobicContact CB-CD2 3.73Å; N214-L243 VanDerWaalsContact O-CA 3.3Å; N214-L243 WeakPolarHBondContact O-CA 3.23Å; N214-D244 PolarHBondContact O-N 3.17Å; N214-D244 VanDerWaalsContact O-N 3.12Å
215	Q	93.2	Very high	95	Very high	92 Å²	92	44.1 Å²	44.1	43%	0.43	22%	0.215	S	C	.	.	S	Bend	trans	-75.5	-49.8	178.4	-71.1	-175.5	49.9	0	0	111.6	D219 D244 K245	Q215-D219 WeakPolarHBondContact CB-OD2 3.24Å; Q215-D244 PolarHBondContact O-N 3.23Å; Q215-K245 PolarHBondContact O-N 2.92Å
216	T	93.1	Very high	94.8	Very high	42 Å²	42	38.1 Å²	38.1	26%	0.258	18%	0.183	S	C	.	.	S	Bend	trans	-135.8	170.3	178.9	74.9	0	0	0	0	110.7	K218 D219 L243 K245	T216-K218 PolarHBondContact O-N 3.13Å; T216-K218 PolarHBondContact OG1-N 2.97Å; T216-D219 WeakPolarHBondContact CB-OD2 3.48Å; T216-D219 PolarHBondContact N-OD2 3.3Å; T216-D219 WeakPolarHBondContact O-CB 3.31Å; T216-D219 PolarHBondContact O-N 2.82Å; T216-D219 VanDerWaalsContact O-N 3.09Å; T216-D219 PolarHBondContact OG1-OD2 2.92Å; T216-L243 WeakPolarHBondContact O-CD2 3.48Å; T216-K245 HydrophobicContact CG2-CB 4.27Å
217	E	93	Very high	94.6	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-58.9	-35.7	175.4	-70.2	176.3	-152.5	0	0	112.6	D219 I220 L243 S247 W250	E217-D219 PolarHBondContact O-N 2.85Å; E217-I220 WeakPolarHBondContact O-CG1 3.5Å; E217-I220 PolarHBondContact O-N 2.9Å; E217-L243 HydrophobicContact CB-CD1 4.23Å; E217-L243 HydrophobicContact CG-CD1 3.31Å; E217-S247 WeakPolarHBondContact OE1-CB 3.4Å; E217-S247 PolarHBondContact OE1-N 3.03Å; E217-S247 PolarHBondContact OE1-OG 2.93Å; E217-W250 HydrophobicContact CG-CE3 3.76Å; E217-W250 HydrophobicContact CG-CZ3 3.83Å
218	K	89.8	Confident	94.5	Very high	167 Å²	167	41.5 Å²	41.5	73%	0.726	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-70.1	-16	179.6	-61	-176.3	-178.5	-179.5	0	113.1	T216	T216-K218 PolarHBondContact O-N 3.13Å; T216-K218 PolarHBondContact OG1-N 2.97Å
219	D	90.3	Very high	94.3	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.059	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-89	-6.4	177.7	-63.8	-68.4	0	0	0	112.8	K115 N214 Q215 T216 E217 L221	K115-D219 IonicContact NZ-OD1 3.43Å; K115-D219 PolarHBondContact NZ-OD1 2.97Å; N214-D219 HydrophobicContact CB-CB 4.2Å; N214-D219 PolarHBondContact OD1-O 2.92Å; Q215-D219 WeakPolarHBondContact CB-OD2 3.24Å; T216-D219 WeakPolarHBondContact CB-OD2 3.48Å; T216-D219 PolarHBondContact N-OD2 3.3Å; T216-D219 WeakPolarHBondContact O-CB 3.31Å; T216-D219 PolarHBondContact O-N 2.82Å; T216-D219 VanDerWaalsContact O-N 3.09Å; T216-D219 PolarHBondContact OG1-OD2 2.92Å; E217-D219 PolarHBondContact O-N 2.85Å; D219-L221 PolarHBondContact O-N 3.48Å
220	I	93.4	Very high	94.1	Very high	16 Å²	16	45 Å²	45	8%	0.082	22%	0.218	C	C	.	.			trans	-72.6	104.7	-177.5	-53.6	172.5	0	0	0	109.3	F212 N214 E217 W223 Y241 L243 W250	F212-I220 HydrophobicContact CD1-CG2 3.97Å; F212-I220 HydrophobicContact CE1-CG2 3.66Å; N214-I220 HydrophobicContact CB-CG1 4.11Å; E217-I220 WeakPolarHBondContact O-CG1 3.5Å; E217-I220 PolarHBondContact O-N 2.9Å; I220-W223 HydrophobicContact CB-CE3 4.2Å; I220-W223 HydrophobicContact CD1-CE3 3.8Å; I220-W223 HydrophobicContact CD1-CH2 4.34Å; I220-W223 HydrophobicContact CD1-CZ3 3.58Å; I220-W223 HydrophobicContact CG2-CB 4.33Å; I220-W223 HydrophobicContact CG2-CD2 4.5Å; I220-W223 HydrophobicContact CG2-CE3 3.62Å; I220-W223 HydrophobicContact CG2-CZ3 4.29Å; I220-Y241 HydrophobicContact CG2-CD1 4.37Å; I220-Y241 HydrophobicContact CG2-CE1 4.18Å; I220-L243 HydrophobicContact CD1-CD2 4.16Å; I220-L243 HydrophobicContact CG1-CD2 4.13Å; I220-W250 HydrophobicContact CD1-CH2 3.79Å; I220-W250 HydrophobicContact CD1-CZ3 4.32Å
221	L	92.3	Very high	94	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	139.2	176.6	-57.2	177.4	0	0	0	110.4	T61 T186 I188 F212 D219 W223	T61-L221 HydrophobicContact CG2-CD2 3.45Å; T61-L221 VanDerWaalsContact CG2-CD2 3.45Å; T61-L221 WeakPolarHBondContact OG1-CD2 3.11Å; T186-L221 HydrophobicContact CG2-CD1 3.94Å; I188-L221 HydrophobicContact CG2-CB 3.99Å; I188-L221 HydrophobicContact CG2-CD1 4.17Å; F212-L221 WeakPolarHBondContact CE1-O 3.38Å; F212-L221 HydrophobicContact CZ-CB 4.34Å; D219-L221 PolarHBondContact O-N 3.48Å; L221-W223 PolarHBondContact O-N 2.71Å
222	L	89.7	Confident	93.9	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	32.5	170	-51.2	166.7	0	0	0	113	V101 V113 I188 T189 L192 E225 L226	V101-L222 HydrophobicContact CG1-CD1 4.23Å; V113-L222 HydrophobicContact CG1-CD2 4.32Å; V113-L222 HydrophobicContact CG2-CD2 4.19Å; I188-L222 HydrophobicContact CG2-CD1 4.12Å; T189-L222 HydrophobicContact CG2-CD1 4.47Å; L192-L222 HydrophobicContact CD2-CD1 3.42Å; L192-L222 VanDerWaalsContact CD2-CD1 3.42Å; L192-L222 HydrophobicContact CD2-CG 4.38Å; L222-E225 HydrophobicContact CB-CB 4.36Å; L222-E225 PolarHBondContact O-N 2.78Å; L222-L226 WeakPolarHBondContact O-CG 3.23Å; L222-L226 PolarHBondContact O-N 3.09Å
223	W	91.9	Very high	93.8	Very high	64 Å²	64	59.9 Å²	59.9	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-54.8	-55.2	-177.2	176.2	-107.8	0	0	0	113.7	I220 L221 E225 L226 K227 Y241 W250 Y252	I220-W223 HydrophobicContact CB-CE3 4.2Å; I220-W223 HydrophobicContact CD1-CE3 3.8Å; I220-W223 HydrophobicContact CD1-CH2 4.34Å; I220-W223 HydrophobicContact CD1-CZ3 3.58Å; I220-W223 HydrophobicContact CG2-CB 4.33Å; I220-W223 HydrophobicContact CG2-CD2 4.5Å; I220-W223 HydrophobicContact CG2-CE3 3.62Å; I220-W223 HydrophobicContact CG2-CZ3 4.29Å; L221-W223 PolarHBondContact O-N 2.71Å; W223-E225 PolarHBondContact O-N 3.47Å; W223-L226 PolarHBondContact O-N 2.89Å; W223-K227 HydrophobicContact CZ2-CD 4.43Å; W223-K227 VanDerWaalsContact NE1-NZ 3.14Å; W223-K227 PolarHBondContact O-N 2.99Å; W223-Y241 HydrophobicContact CE3-CD1 4.38Å; W223-Y241 AromaticContact CE3-CE1 3.77Å; W223-Y241 HydrophobicContact CE3-CE1 3.77Å; W223-Y241 HydrophobicContact CE3-CE2 4.4Å; W223-Y241 AromaticContact CE3-CZ 3.78Å; W223-Y241 HydrophobicContact CH2-CD2 4.35Å; W223-Y241 HydrophobicContact CH2-CE2 4.15Å; W223-Y241 AromaticContact CZ3-CD1 3.82Å; W223-Y241 HydrophobicContact CZ3-CD1 3.82Å; W223-Y241 AromaticContact CZ3-CD2 3.88Å; W223-Y241 HydrophobicContact CZ3-CD2 3.88Å; W223-Y241 AromaticContact CZ3-CE1 3.53Å; W223-Y241 HydrophobicContact CZ3-CE1 3.53Å; W223-Y241 AromaticContact CZ3-CE2 3.61Å; W223-Y241 HydrophobicContact CZ3-CE2 3.61Å; W223-Y241 AromaticContact CZ3-CG 3.98Å; W223-Y241 HydrophobicContact CZ3-CG 3.98Å; W223-Y241 AromaticContact CZ3-CZ 3.41Å; W223-Y241 VanDerWaalsContact CZ3-CZ 3.41Å; W223-W250 HydrophobicContact CH2-CH2 4.01Å; W223-W250 AromaticContact CH2-CZ3 3.99Å; W223-W250 HydrophobicContact CH2-CZ3 3.99Å; W223-W250 HydrophobicContact CZ3-CH2 4.18Å; W223-Y252 HydrophobicContact CH2-CE2 4.24Å
224	D	92	Very high	93.7	Very high	115 Å²	115	62.9 Å²	62.9	62%	0.615	31%	0.307	S	S	*	.	H	α-helix	trans	-62.2	-37.8	-178.3	-62.4	-35.2	0	0	0	110.9	K227 D228	D224-K227 WeakPolarHBondContact O-CB 3.35Å; D224-K227 PolarHBondContact O-N 2.76Å; D224-D228 WeakPolarHBondContact O-CB 3.29Å; D224-D228 PolarHBondContact O-N 3.25Å
225	E	92	Very high	93.7	Very high	44 Å²	44	68 Å²	68	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-43.8	179.3	-154.4	-165.4	138.2	0	0	112.8	L192 R196 L222 W223 K227 D228 V229	L192-E225 WeakPolarHBondContact CD1-OE1 3.31Å; L192-E225 WeakPolarHBondContact CD2-OE1 3.36Å; R196-E225 VanDerWaalsContact CZ-CD 3.44Å; R196-E225 IonicContact CZ-OE1 2.75Å; R196-E225 IonicContact CZ-OE2 3.44Å; R196-E225 IonicContact NE-OE1 2.7Å; R196-E225 PolarHBondContact NE-OE1 3.25Å; R196-E225 IonicContact NH1-OE1 3.66Å; R196-E225 IonicContact NH1-OE2 3.99Å; R196-E225 IonicContact NH2-OE1 2.68Å; R196-E225 PolarHBondContact NH2-OE1 3.33Å; R196-E225 IonicContact NH2-OE2 2.72Å; R196-E225 PolarHBondContact NH2-OE2 2.78Å; L222-E225 HydrophobicContact CB-CB 4.36Å; L222-E225 PolarHBondContact O-N 2.78Å; W223-E225 PolarHBondContact O-N 3.47Å; E225-K227 VanDerWaalsContact C-N 3.29Å; E225-K227 PolarHBondContact O-N 2.62Å; E225-D228 PolarHBondContact O-N 2.89Å; E225-V229 WeakPolarHBondContact O-CG2 3.47Å; E225-V229 PolarHBondContact O-N 2.96Å
226	L	94.9	Very high	93.8	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-36.8	175.8	-70.8	171.7	0	0	0	111.5	I188 L192 L210 F212 L222 W223 Q230 Y241	I188-L226 HydrophobicContact CD1-CD1 4.12Å; I188-L226 HydrophobicContact CD1-CD2 4.36Å; I188-L226 HydrophobicContact CG1-CD1 4.33Å; L192-L226 HydrophobicContact CD1-CD2 4.28Å; L210-L226 HydrophobicContact CD2-CD2 4.15Å; F212-L226 HydrophobicContact CD1-CD1 3.8Å; F212-L226 HydrophobicContact CE1-CD1 4.06Å; L222-L226 WeakPolarHBondContact O-CG 3.23Å; L222-L226 PolarHBondContact O-N 3.09Å; W223-L226 PolarHBondContact O-N 2.89Å; L226-Q230 WeakPolarHBondContact O-CB 3.4Å; L226-Q230 PolarHBondContact O-N 2.99Å; L226-Y241 HydrophobicContact CD1-CE1 4.28Å
227	K	94.5	Very high	94.1	Very high	92 Å²	92	62.8 Å²	62.8	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-45.3	173.9	-80	-176.1	164.7	-179	0	112	W223 D224 E225 Q230 K231	W223-K227 HydrophobicContact CZ2-CD 4.43Å; W223-K227 VanDerWaalsContact NE1-NZ 3.14Å; W223-K227 PolarHBondContact O-N 2.99Å; D224-K227 WeakPolarHBondContact O-CB 3.35Å; D224-K227 PolarHBondContact O-N 2.76Å; E225-K227 VanDerWaalsContact C-N 3.29Å; E225-K227 PolarHBondContact O-N 2.62Å; K227-Q230 PolarHBondContact O-N 3.18Å; K227-K231 VanDerWaalsContact O-CB 3.31Å; K227-K231 WeakPolarHBondContact O-CB 3.09Å; K227-K231 PolarHBondContact O-N 3.14Å
228	D	95.6	Very high	94.4	Very high	89 Å²	89	65.8 Å²	65.8	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-44.3	179.2	-76.6	-17	0	0	0	111.4	D224 E225 Q230 K231 N232	D224-D228 WeakPolarHBondContact O-CB 3.29Å; D224-D228 PolarHBondContact O-N 3.25Å; E225-D228 PolarHBondContact O-N 2.89Å; D228-Q230 PolarHBondContact O-N 3.34Å; D228-K231 PolarHBondContact O-N 3.45Å; D228-N232 WeakPolarHBondContact O-CB 3.43Å; D228-N232 PolarHBondContact O-N 2.48Å; D228-N232 PolarHBondContact O-ND2 2.82Å; D228-N232 VanDerWaalsContact O-ND2 3.17Å
229	V	95.1	Very high	94.8	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.109	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-46.7	175.3	171.4	0	0	0	0	111.2	I195 T199 E225 K231 N232 H233 V237	I195-V229 HydrophobicContact CG2-CG1 3.56Å; T199-V229 HydrophobicContact CG2-CG1 4.25Å; E225-V229 WeakPolarHBondContact O-CG2 3.47Å; E225-V229 PolarHBondContact O-N 2.96Å; V229-K231 VanDerWaalsContact C-N 3.32Å; V229-K231 PolarHBondContact O-N 2.93Å; V229-N232 PolarHBondContact O-N 2.81Å; V229-H233 WeakPolarHBondContact O-CB 3.44Å; V229-H233 PolarHBondContact O-N 3.2Å; V229-V237 HydrophobicContact CG1-CB 4.14Å; V229-V237 HydrophobicContact CG1-CG1 4.08Å; V229-V237 HydrophobicContact CG1-CG2 3.9Å
230	Q	94.5	Very high	95.2	Very high	62 Å²	62	61.1 Å²	61.1	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-37.8	179.3	-174.7	173.9	-86.2	0	0	112	L226 K227 D228 P234 V239	L226-Q230 WeakPolarHBondContact O-CB 3.4Å; L226-Q230 PolarHBondContact O-N 2.99Å; K227-Q230 PolarHBondContact O-N 3.18Å; D228-Q230 PolarHBondContact O-N 3.34Å; Q230-P234 VanDerWaalsContact O-CA 3.25Å; Q230-P234 WeakPolarHBondContact O-CA 3.4Å; Q230-P234 WeakPolarHBondContact O-CB 3.48Å; Q230-P234 WeakPolarHBondContact O-CD 3.4Å; Q230-P234 VanDerWaalsContact O-N 3.15Å; Q230-V239 PolarHBondContact OE1-O 2.79Å
231	K	96.3	Very high	95.4	Very high	163 Å²	163	60.5 Å²	60.5	71%	0.709	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-40.1	176.5	179.5	-176.7	173.2	-172.2	0	111.9	K227 D228 V229	K227-K231 VanDerWaalsContact O-CB 3.31Å; K227-K231 WeakPolarHBondContact O-CB 3.09Å; K227-K231 PolarHBondContact O-N 3.14Å; D228-K231 PolarHBondContact O-N 3.45Å; V229-K231 VanDerWaalsContact C-N 3.32Å; V229-K231 PolarHBondContact O-N 2.93Å
232	N	97.1	Very high	95.7	Very high	103 Å²	103	60.2 Å²	60.2	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-84.4	-21.9	-176.4	-66.1	-26.3	0	0	0	113.2	D228 V229	D228-N232 WeakPolarHBondContact O-CB 3.43Å; D228-N232 PolarHBondContact O-N 2.48Å; D228-N232 PolarHBondContact O-ND2 2.82Å; D228-N232 VanDerWaalsContact O-ND2 3.17Å; V229-N232 PolarHBondContact O-N 2.81Å
233	H	97.4	Very high	96.1	Very high	50 Å²	50	59 Å²	59	23%	0.231	28%	0.282	C	S	.	.			trans	-135.9	50.9	-177.8	-54.8	-71.6	0	0	0	113.4	T199 V229 E235 K236 V237	T199-H233 HydrophobicContact CG2-CB 4.02Å; V229-H233 WeakPolarHBondContact O-CB 3.44Å; V229-H233 PolarHBondContact O-N 3.2Å; H233-E235 PolarHBondContact O-N 3.07Å; H233-E235 VanDerWaalsContact O-N 3.15Å; H233-K236 HydrophobicContact CB-CB 4.32Å; H233-K236 PolarHBondContact O-N 3.13Å; H233-V237 HydrophobicContact CB-CG2 4.4Å; H233-V237 PolarHBondContact O-N 3.12Å
234	P	96.4	Very high	96.2	Very high	76 Å²	76	58.6 Å²	58.6	49%	0.494	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.8	-171.6	26.9	-36.2	0	0	0	114	Q230	Q230-P234 VanDerWaalsContact O-CA 3.25Å; Q230-P234 WeakPolarHBondContact O-CA 3.4Å; Q230-P234 WeakPolarHBondContact O-CB 3.48Å; Q230-P234 WeakPolarHBondContact O-CD 3.4Å; Q230-P234 VanDerWaalsContact O-N 3.15Å
235	E	95.4	Very high	96.4	Very high	114 Å²	114	60 Å²	60	53%	0.533	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.9	177	76.5	-65.1	159.5	0	0	113.6	H233	H233-E235 PolarHBondContact O-N 3.07Å; H233-E235 VanDerWaalsContact O-N 3.15Å
236	K	96.3	Very high	96.5	Very high	24 Å²	24	60.2 Å²	60.2	10%	0.104	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-38	179.9	-66.6	-173.6	-173.4	-173.6	0	112.6	D204 K207 C208 H233	D204-K236 WeakPolarHBondContact O-CE 3.27Å; D204-K236 PolarHBondContact O-NZ 3.41Å; K207-K236 CarbonylContact C-O 3.21Å; K207-K236 WeakPolarHBondContact CA-O 3.45Å; C208-K236 PolarHBondContact N-O 3.4Å; H233-K236 HydrophobicContact CB-CB 4.32Å; H233-K236 PolarHBondContact O-N 3.13Å
237	V	98.4	Very high	96.5	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	-171.5	-174.7	0	0	0	0	110.9	I195 T199 C208 V229 H233 V239	I195-V237 HydrophobicContact CG2-CG1 4.37Å; I195-V237 HydrophobicContact CG2-CG2 4.14Å; T199-V237 HydrophobicContact CG2-CG2 3.67Å; C208-V237 HydrophobicContact CB-CG2 4.37Å; C208-V237 WeakPolarHBondContact O-CA 3.36Å; V229-V237 HydrophobicContact CG1-CB 4.14Å; V229-V237 HydrophobicContact CG1-CG1 4.08Å; V229-V237 HydrophobicContact CG1-CG2 3.9Å; H233-V237 HydrophobicContact CB-CG2 4.4Å; H233-V237 PolarHBondContact O-N 3.12Å; V237-V239 HydrophobicContact CG1-CG2 4.07Å
238	K	98.4	Very high	96.4	Very high	139 Å²	139	68.2 Å²	68.2	60%	0.604	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.3	170.2	-63.7	-173.4	177.6	-172.7	0	109.7	C208 S209 L210	C208-K238 PolarHBondContact O-N 3.2Å; S209-K238 CarbonylContact C-O 3.54Å; S209-K238 WeakPolarHBondContact CA-O 3.34Å; L210-K238 PolarHBondContact N-O 2.94Å
239	V	98.4	Very high	96.3	Very high	9 Å²	9	71 Å²	71	6%	0.055	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.4	178.1	-170.2	0	0	0	0	109.7	L210 Q230 V237 Y241	L210-V239 HydrophobicContact CB-CG1 4.4Å; L210-V239 HydrophobicContact CB-CG2 4.47Å; L210-V239 HydrophobicContact CD2-CG1 3.95Å; L210-V239 HydrophobicContact CD2-CG2 4.42Å; L210-V239 HydrophobicContact CG-CG1 4.24Å; L210-V239 CarbonylContact O-C 3.57Å; L210-V239 WeakPolarHBondContact O-CA 3.37Å; Q230-V239 PolarHBondContact OE1-O 2.79Å; V237-V239 HydrophobicContact CG1-CG2 4.07Å; V239-Y241 HydrophobicContact CB-CE2 4.38Å; V239-Y241 HydrophobicContact CG1-CD1 4.35Å; V239-Y241 HydrophobicContact CG1-CD2 4.42Å; V239-Y241 HydrophobicContact CG1-CE1 3.73Å; V239-Y241 HydrophobicContact CG1-CE2 3.81Å; V239-Y241 VanDerWaalsContact CG1-CZ 3.42Å
240	W	98.4	Very high	96.4	Very high	72 Å²	72	71.9 Å²	71.9	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.5	172.2	-164.1	-99.9	0	0	0	109.7	L210 I211 F212 Y252 S253 H265	L210-W240 PolarHBondContact O-N 3.34Å; I211-W240 CarbonylContact C-O 3.56Å; I211-W240 WeakPolarHBondContact CA-O 3.44Å; F212-W240 PolarHBondContact N-O 2.87Å; W240-Y252 AromaticContact CD2-CD1 3.92Å; W240-Y252 HydrophobicContact CD2-CD1 3.92Å; W240-Y252 AromaticContact CE3-CD1 3.83Å; W240-Y252 HydrophobicContact CE3-CD1 3.83Å; W240-Y252 HydrophobicContact CE3-CE1 4.23Å; W240-Y252 HydrophobicContact CH2-CD1 4.2Å; W240-Y252 HydrophobicContact CZ2-CD1 4.28Å; W240-Y252 AromaticContact CZ3-CD1 3.98Å; W240-Y252 HydrophobicContact CZ3-CD1 3.98Å; W240-Y252 HydrophobicContact CZ3-CE1 4.36Å; W240-S253 PolarHBondContact NE1-OG 2.81Å; W240-H265 HydrophobicContact CB-CB 4.04Å; W240-H265 AromaticContact CD1-CD2 3.34Å; W240-H265 AromaticContact CD1-CG 3.9Å; W240-H265 AromaticContact CD1-NE2 3.5Å; W240-H265 AromaticContact CD2-CD2 3.8Å; W240-H265 AromaticContact CD2-CE1 3.24Å; W240-H265 AromaticContact CD2-CG 3.93Å; W240-H265 AromaticContact CD2-ND1 3.6Å; W240-H265 AromaticContact CD2-NE2 3.37Å; W240-H265 AromaticContact CE2-CD2 3.86Å; W240-H265 AromaticContact CE2-CE1 3.39Å; W240-H265 AromaticContact CE2-NE2 3.14Å; W240-H265 AromaticContact CE3-CE1 3.46Å; W240-H265 VanDerWaalsContact CE3-CE1 3.46Å; W240-H265 AromaticContact CE3-ND1 3.76Å; W240-H265 HydrophobicContact CG-CB 4.34Å; W240-H265 AromaticContact CG-CD2 3.48Å; W240-H265 VanDerWaalsContact CG-CD2 3.48Å; W240-H265 AromaticContact CG-CE1 3.74Å; W240-H265 AromaticContact CG-CG 3.57Å; W240-H265 AromaticContact CG-ND1 3.74Å; W240-H265 AromaticContact CG-NE2 3.59Å; W240-H265 AromaticContact CH2-CE1 3.94Å; W240-H265 AromaticContact CZ2-CE1 3.75Å; W240-H265 AromaticContact CZ2-NE2 3.66Å; W240-H265 AromaticContact CZ3-CE1 3.81Å; W240-H265 AromaticContact NE1-CD2 3.56Å; W240-H265 AromaticContact NE1-CE1 3.9Å; W240-H265 AromaticContact NE1-NE2 3.21Å; W240-H265 PolarHBondContact NE1-NE2 3.46Å
241	Y	98.6	Very high	96.4	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.6	-175.4	-56.1	-87.5	0	0	0	110.8	F212 I220 W223 L226 V239 W250 Y252 S253	F212-Y241 HydrophobicContact CB-CD1 4.06Å; F212-Y241 HydrophobicContact CB-CE1 4.42Å; F212-Y241 HydrophobicContact CD1-CD1 4.17Å; F212-Y241 HydrophobicContact CD1-CE1 4.05Å; F212-Y241 WeakPolarHBondContact O-CA 3.31Å; I220-Y241 HydrophobicContact CG2-CD1 4.37Å; I220-Y241 HydrophobicContact CG2-CE1 4.18Å; W223-Y241 HydrophobicContact CE3-CD1 4.38Å; W223-Y241 AromaticContact CE3-CE1 3.77Å; W223-Y241 HydrophobicContact CE3-CE1 3.77Å; W223-Y241 HydrophobicContact CE3-CE2 4.4Å; W223-Y241 AromaticContact CE3-CZ 3.78Å; W223-Y241 HydrophobicContact CH2-CD2 4.35Å; W223-Y241 HydrophobicContact CH2-CE2 4.15Å; W223-Y241 AromaticContact CZ3-CD1 3.82Å; W223-Y241 HydrophobicContact CZ3-CD1 3.82Å; W223-Y241 AromaticContact CZ3-CD2 3.88Å; W223-Y241 HydrophobicContact CZ3-CD2 3.88Å; W223-Y241 AromaticContact CZ3-CE1 3.53Å; W223-Y241 HydrophobicContact CZ3-CE1 3.53Å; W223-Y241 AromaticContact CZ3-CE2 3.61Å; W223-Y241 HydrophobicContact CZ3-CE2 3.61Å; W223-Y241 AromaticContact CZ3-CG 3.98Å; W223-Y241 HydrophobicContact CZ3-CG 3.98Å; W223-Y241 AromaticContact CZ3-CZ 3.41Å; W223-Y241 VanDerWaalsContact CZ3-CZ 3.41Å; L226-Y241 HydrophobicContact CD1-CE1 4.28Å; V239-Y241 HydrophobicContact CB-CE2 4.38Å; V239-Y241 HydrophobicContact CG1-CD1 4.35Å; V239-Y241 HydrophobicContact CG1-CD2 4.42Å; V239-Y241 HydrophobicContact CG1-CE1 3.73Å; V239-Y241 HydrophobicContact CG1-CE2 3.81Å; V239-Y241 VanDerWaalsContact CG1-CZ 3.42Å; Y241-W250 VanDerWaalsContact CB-CZ2 3.41Å; Y241-W250 HydrophobicContact CG-CH2 4.2Å; Y241-W250 HydrophobicContact CG-CZ2 4.38Å; Y241-Y252 AromaticContact CD2-CD1 3.89Å; Y241-Y252 HydrophobicContact CD2-CD1 3.89Å; Y241-Y252 HydrophobicContact CD2-CD2 4.03Å; Y241-Y252 AromaticContact CD2-CE1 3.62Å; Y241-Y252 HydrophobicContact CD2-CE1 3.62Å; Y241-Y252 AromaticContact CD2-CE2 3.77Å; Y241-Y252 HydrophobicContact CD2-CE2 3.77Å; Y241-Y252 HydrophobicContact CD2-CG 4.08Å; Y241-Y252 AromaticContact CD2-CZ 3.56Å; Y241-Y252 HydrophobicContact CE2-CE1 4.16Å; Y241-Y252 HydrophobicContact CE2-CE2 4.35Å; Y241-Y252 AromaticContact CE2-CZ 3.9Å; Y241-Y252 WeakPolarHBondContact O-CB 3.26Å; Y241-S253 PolarHBondContact O-N 3.49Å
242	T	98.5	Very high	96.5	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143	166.9	-166.9	0	0	0	0	110.9	F212 A213 N214 S253 G255 V257 M261	F212-T242 PolarHBondContact O-N 2.88Å; F212-T242 VanDerWaalsContact O-N 3.08Å; A213-T242 WeakPolarHBondContact CA-O 3.44Å; A213-T242 HydrophobicContact CB-CG2 3.63Å; N214-T242 PolarHBondContact N-O 3.28Å; T242-S253 WeakPolarHBondContact CA-O 3.27Å; T242-S253 PolarHBondContact OG1-O 3.31Å; T242-G255 WeakPolarHBondContact CG2-O 3.16Å; T242-G255 PolarHBondContact OG1-O 3.46Å; T242-V257 HydrophobicContact CG2-CG2 4.31Å; T242-M261 HydrophobicContact CG2-SD 4.13Å
243	L	98.1	Very high	96.5	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.8	-177.3	-62.8	179	0	0	0	112.1	N214 T216 E217 I220 K245 P246 W250 S253 S254 G255	N214-L243 HydrophobicContact CB-CD2 3.73Å; N214-L243 VanDerWaalsContact O-CA 3.3Å; N214-L243 WeakPolarHBondContact O-CA 3.23Å; T216-L243 WeakPolarHBondContact O-CD2 3.48Å; E217-L243 HydrophobicContact CB-CD1 4.23Å; E217-L243 HydrophobicContact CG-CD1 3.31Å; I220-L243 HydrophobicContact CD1-CD2 4.16Å; I220-L243 HydrophobicContact CG1-CD2 4.13Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 3.32Å; L243-P246 HydrophobicContact CB-CB 4.12Å; L243-P246 HydrophobicContact CD1-CB 4.35Å; L243-W250 HydrophobicContact CD1-CD2 3.7Å; L243-W250 HydrophobicContact CD1-CE3 3.96Å; L243-W250 HydrophobicContact CD1-CG 4.29Å; L243-W250 HydrophobicContact CD1-CH2 3.92Å; L243-W250 HydrophobicContact CD1-CZ2 3.62Å; L243-W250 HydrophobicContact CD1-CZ3 4.08Å; L243-W250 HydrophobicContact CG-CD2 4.44Å; L243-W250 HydrophobicContact CG-CH2 4.29Å; L243-W250 HydrophobicContact CG-CZ2 3.66Å; L243-S253 PolarHBondContact N-O 2.79Å; L243-S254 CarbonylContact O-C 3.51Å; L243-S254 WeakPolarHBondContact O-CA 3.25Å; L243-S254 PolarHBondContact O-OG 2.81Å; L243-G255 PolarHBondContact O-N 2.93Å
244	D	95.1	Very high	96.6	Very high	56 Å²	56	66.6 Å²	66.6	30%	0.299	34%	0.342	S	S	.	.	S	Bend	trans	-61.2	-39.5	173.6	-65	-9.7	0	0	0	111.4	N214 Q215 Y256	N214-D244 PolarHBondContact O-N 3.17Å; N214-D244 VanDerWaalsContact O-N 3.12Å; Q215-D244 PolarHBondContact O-N 3.23Å; D244-Y256 WeakPolarHBondContact OD1-CD1 3.3Å; D244-Y256 WeakPolarHBondContact OD1-CE1 3.39Å
245	K	94.6	Very high	96.6	Very high	143 Å²	143	64.1 Å²	64.1	62%	0.622	33%	0.33	S	S	*	.	S	Bend	trans	-131.5	77.5	-178.1	-59	174.6	-172	171.4	0	109.3	Q215 T216 L243	Q215-K245 PolarHBondContact O-N 2.92Å; T216-K245 HydrophobicContact CG2-CB 4.27Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 3.32Å
246	P	95.4	Very high	96.7	Very high	49 Å²	49	66.8 Å²	66.8	32%	0.318	34%	0.336	S	S	.	.			trans	-71	158.3	-180	32.5	-37.4	0	0	0	111.8	L243 W250 S254	L243-P246 HydrophobicContact CB-CB 4.12Å; L243-P246 HydrophobicContact CD1-CB 4.35Å; P246-W250 HydrophobicContact CB-CB 3.62Å; P246-W250 HydrophobicContact CB-CG 3.64Å; P246-S254 WeakPolarHBondContact CD-OG 3.39Å; P246-S254 WeakPolarHBondContact CG-OG 3.49Å
247	S	94.1	Very high	96.8	Very high	53 Å²	53	65.9 Å²	65.9	37%	0.371	33%	0.333	S	S	.	.			trans	-71.7	168.8	163.8	78	0	0	0	0	110.8	E217 D249 W250	E217-S247 WeakPolarHBondContact OE1-CB 3.4Å; E217-S247 PolarHBondContact OE1-N 3.03Å; E217-S247 PolarHBondContact OE1-OG 2.93Å; S247-D249 PolarHBondContact O-N 3.44Å; S247-W250 VanDerWaalsContact O-CB 3.32Å; S247-W250 WeakPolarHBondContact O-CB 3.48Å; S247-W250 PolarHBondContact O-N 3.01Å
248	K	91.9	Very high	96.8	Very high	210 Å²	210	68.6 Å²	68.6	91%	0.913	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.4	178.6	-70.2	-175.9	179.1	-179.5	0	113	W250	K248-W250 VanDerWaalsContact C-N 3.32Å
249	D	94.3	Very high	96.8	Very high	147 Å²	147	64.5 Å²	64.5	79%	0.786	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	11.9	-174.9	-54.9	-42.2	0	0	0	112.2	S247 S251	S247-D249 PolarHBondContact O-N 3.44Å; D249-S251 PolarHBondContact O-N 3.16Å; D249-S251 PolarHBondContact O-OG 2.98Å
250	W	96.4	Very high	96.8	Very high	37 Å²	37	68.6 Å²	68.6	14%	0.14	36%	0.356	C	S	.	.			trans	-67.1	120.5	-178.2	-176.7	-116.8	0	0	0	111.7	E217 I220 W223 Y241 L243 P246 S247 K248 Y252 S253	E217-W250 HydrophobicContact CG-CE3 3.76Å; E217-W250 HydrophobicContact CG-CZ3 3.83Å; I220-W250 HydrophobicContact CD1-CH2 3.79Å; I220-W250 HydrophobicContact CD1-CZ3 4.32Å; W223-W250 HydrophobicContact CH2-CH2 4.01Å; W223-W250 AromaticContact CH2-CZ3 3.99Å; W223-W250 HydrophobicContact CH2-CZ3 3.99Å; W223-W250 HydrophobicContact CZ3-CH2 4.18Å; Y241-W250 VanDerWaalsContact CB-CZ2 3.41Å; Y241-W250 HydrophobicContact CG-CH2 4.2Å; Y241-W250 HydrophobicContact CG-CZ2 4.38Å; L243-W250 HydrophobicContact CD1-CD2 3.7Å; L243-W250 HydrophobicContact CD1-CE3 3.96Å; L243-W250 HydrophobicContact CD1-CG 4.29Å; L243-W250 HydrophobicContact CD1-CH2 3.92Å; L243-W250 HydrophobicContact CD1-CZ2 3.62Å; L243-W250 HydrophobicContact CD1-CZ3 4.08Å; L243-W250 HydrophobicContact CG-CD2 4.44Å; L243-W250 HydrophobicContact CG-CH2 4.29Å; L243-W250 HydrophobicContact CG-CZ2 3.66Å; P246-W250 HydrophobicContact CB-CB 3.62Å; P246-W250 HydrophobicContact CB-CG 3.64Å; S247-W250 VanDerWaalsContact O-CB 3.32Å; S247-W250 WeakPolarHBondContact O-CB 3.48Å; S247-W250 PolarHBondContact O-N 3.01Å; K248-W250 VanDerWaalsContact C-N 3.32Å; W250-Y252 VanDerWaalsContact CD1-O 3.27Å; W250-Y252 HydrophobicContact CD2-CD2 4.15Å; W250-Y252 AromaticContact CE2-CD2 3.8Å; W250-Y252 HydrophobicContact CE3-CD2 4.14Å; W250-Y252 AromaticContact CH2-CD2 3.46Å; W250-Y252 HydrophobicContact CH2-CD2 3.46Å; W250-Y252 VanDerWaalsContact CH2-CD2 3.46Å; W250-Y252 HydrophobicContact CH2-CE2 4.03Å; W250-Y252 HydrophobicContact CH2-CG 4.3Å; W250-Y252 AromaticContact CZ2-CD2 3.49Å; W250-Y252 HydrophobicContact CZ2-CD2 3.49Å; W250-Y252 VanDerWaalsContact CZ2-CD2 3.49Å; W250-Y252 HydrophobicContact CZ2-CE2 4.47Å; W250-Y252 AromaticContact CZ2-CG 3.92Å; W250-Y252 HydrophobicContact CZ2-CG 3.92Å; W250-Y252 AromaticContact CZ3-CD2 3.79Å; W250-Y252 HydrophobicContact CZ3-CD2 3.79Å; W250-Y252 HydrophobicContact CZ3-CE2 4.21Å; W250-Y252 PolarHBondContact NE1-O 3.48Å; W250-S253 PolarHBondContact NE1-O 2.92Å
251	S	95.7	Very high	96.9	Very high	103 Å²	103	65.8 Å²	65.8	72%	0.72	35%	0.346	S	S	*	.			trans	-90.7	-0.9	-173.2	-53.6	0	0	0	0	114.5	D249	D249-S251 PolarHBondContact O-N 3.16Å; D249-S251 PolarHBondContact O-OG 2.98Å
252	Y	97.5	Very high	96.9	Very high	69 Å²	69	65.8 Å²	65.8	27%	0.271	35%	0.345	S	S	.	.	S	Bend	trans	-113.5	-165.4	-179.6	-52	-94.1	0	0	0	111.2	W223 W240 Y241 W250	W223-Y252 HydrophobicContact CH2-CE2 4.24Å; W240-Y252 AromaticContact CD2-CD1 3.92Å; W240-Y252 HydrophobicContact CD2-CD1 3.92Å; W240-Y252 AromaticContact CE3-CD1 3.83Å; W240-Y252 HydrophobicContact CE3-CD1 3.83Å; W240-Y252 HydrophobicContact CE3-CE1 4.23Å; W240-Y252 HydrophobicContact CH2-CD1 4.2Å; W240-Y252 HydrophobicContact CZ2-CD1 4.28Å; W240-Y252 AromaticContact CZ3-CD1 3.98Å; W240-Y252 HydrophobicContact CZ3-CD1 3.98Å; W240-Y252 HydrophobicContact CZ3-CE1 4.36Å; Y241-Y252 AromaticContact CD2-CD1 3.89Å; Y241-Y252 HydrophobicContact CD2-CD1 3.89Å; Y241-Y252 HydrophobicContact CD2-CD2 4.03Å; Y241-Y252 AromaticContact CD2-CE1 3.62Å; Y241-Y252 HydrophobicContact CD2-CE1 3.62Å; Y241-Y252 AromaticContact CD2-CE2 3.77Å; Y241-Y252 HydrophobicContact CD2-CE2 3.77Å; Y241-Y252 HydrophobicContact CD2-CG 4.08Å; Y241-Y252 AromaticContact CD2-CZ 3.56Å; Y241-Y252 HydrophobicContact CE2-CE1 4.16Å; Y241-Y252 HydrophobicContact CE2-CE2 4.35Å; Y241-Y252 AromaticContact CE2-CZ 3.9Å; Y241-Y252 WeakPolarHBondContact O-CB 3.26Å; W250-Y252 VanDerWaalsContact CD1-O 3.27Å; W250-Y252 HydrophobicContact CD2-CD2 4.15Å; W250-Y252 AromaticContact CE2-CD2 3.8Å; W250-Y252 HydrophobicContact CE3-CD2 4.14Å; W250-Y252 AromaticContact CH2-CD2 3.46Å; W250-Y252 HydrophobicContact CH2-CD2 3.46Å; W250-Y252 VanDerWaalsContact CH2-CD2 3.46Å; W250-Y252 HydrophobicContact CH2-CE2 4.03Å; W250-Y252 HydrophobicContact CH2-CG 4.3Å; W250-Y252 AromaticContact CZ2-CD2 3.49Å; W250-Y252 HydrophobicContact CZ2-CD2 3.49Å; W250-Y252 VanDerWaalsContact CZ2-CD2 3.49Å; W250-Y252 HydrophobicContact CZ2-CE2 4.47Å; W250-Y252 AromaticContact CZ2-CG 3.92Å; W250-Y252 HydrophobicContact CZ2-CG 3.92Å; W250-Y252 AromaticContact CZ3-CD2 3.79Å; W250-Y252 HydrophobicContact CZ3-CD2 3.79Å; W250-Y252 HydrophobicContact CZ3-CE2 4.21Å; W250-Y252 PolarHBondContact NE1-O 3.48Å
253	S	98.2	Very high	96.9	Very high	24 Å²	24	72 Å²	72	17%	0.168	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	159.6	-177.2	-63.9	0	0	0	0	113.4	W240 Y241 T242 L243 W250 M261	W240-S253 PolarHBondContact NE1-OG 2.81Å; Y241-S253 PolarHBondContact O-N 3.49Å; T242-S253 WeakPolarHBondContact CA-O 3.27Å; T242-S253 PolarHBondContact OG1-O 3.31Å; L243-S253 PolarHBondContact N-O 2.79Å; W250-S253 PolarHBondContact NE1-O 2.92Å; S253-M261 VanDerWaalsContact CB-CE 3.48Å
254	S	97.9	Very high	96.9	Very high	71 Å²	71	77.2 Å²	77.2	50%	0.497	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.8	174.6	-178.6	0	0	0	0	111	L243 P246	L243-S254 CarbonylContact O-C 3.51Å; L243-S254 WeakPolarHBondContact O-CA 3.25Å; L243-S254 PolarHBondContact O-OG 2.81Å; P246-S254 WeakPolarHBondContact CD-OG 3.39Å; P246-S254 WeakPolarHBondContact CG-OG 3.49Å
255	G	97.1	Very high	97.1	Very high	23 Å²	23	76.9 Å²	76.9	24%	0.237	40%	0.397	C	S	.	.	S	Bend	trans	88.6	-170.5	179.8	0	0	0	0	0	113.7	T242 L243	T242-G255 WeakPolarHBondContact CG2-O 3.16Å; T242-G255 PolarHBondContact OG1-O 3.46Å; L243-G255 PolarHBondContact O-N 2.93Å
256	Y	97.8	Very high	97.3	Very high	170 Å²	170	70.5 Å²	70.5	67%	0.667	37%	0.369	S	S	*	.	S	Bend	trans	-64.9	160.1	175.3	-59	-33.9	0	0	0	112	D244 T258 M261	D244-Y256 WeakPolarHBondContact OD1-CD1 3.3Å; D244-Y256 WeakPolarHBondContact OD1-CE1 3.39Å; Y256-T258 WeakPolarHBondContact O-CG2 3.38Å; Y256-T258 PolarHBondContact O-N 3.05Å; Y256-M261 WeakPolarHBondContact O-CE 3.39Å
257	V	98.4	Very high	97.4	Very high	6 Å²	6	69 Å²	69	4%	0.036	36%	0.36	C	S	.	.			trans	-56	125.1	175.4	179.6	0	0	0	0	110.3	I182 I211 A213 T242 I262 M283 A287	I182-V257 HydrophobicContact CG2-CG1 4.31Å; I182-V257 HydrophobicContact CG2-CG2 4.03Å; I211-V257 HydrophobicContact CG2-CG2 4.11Å; A213-V257 HydrophobicContact CB-CG2 4.09Å; T242-V257 HydrophobicContact CG2-CG2 4.31Å; V257-I262 HydrophobicContact CG1-CD1 3.84Å; V257-I262 HydrophobicContact CG1-CG1 3.71Å; V257-M283 HydrophobicContact CG2-CE 3.99Å; V257-A287 HydrophobicContact CB-CB 4.32Å
258	T	98.6	Very high	97.6	Very high	57 Å²	57	70.3 Å²	70.3	35%	0.35	37%	0.374	S	S	.	.			trans	-112.5	168.9	-179.1	61.1	0	0	0	0	112	Y256 D260 M261 I262	Y256-T258 WeakPolarHBondContact O-CG2 3.38Å; Y256-T258 PolarHBondContact O-N 3.05Å; T258-D260 VanDerWaalsContact C-N 3.31Å; T258-D260 PolarHBondContact O-N 2.82Å; T258-M261 HydrophobicContact CG2-CE 4.05Å; T258-M261 PolarHBondContact O-N 2.79Å; T258-M261 VanDerWaalsContact OG1-CG 3.29Å; T258-M261 WeakPolarHBondContact OG1-CG 3.35Å; T258-M261 PolarHBondContact OG1-N 2.97Å; T258-I262 WeakPolarHBondContact O-CG1 3.32Å; T258-I262 PolarHBondContact O-N 3.4Å
259	L	98.6	Very high	97.9	Very high	53 Å²	53	62.3 Å²	62.3	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-57.8	-44.3	174.8	-176.3	143.4	0	0	0	111.7	I262 K263 N291 K294 L295	L259-I262 PolarHBondContact O-N 3.01Å; L259-K263 WeakPolarHBondContact O-CB 3.15Å; L259-K263 PolarHBondContact O-N 3.21Å; L259-N291 HydrophobicContact CB-CB 4.29Å; L259-N291 PolarHBondContact N-ND2 3.21Å; L259-K294 HydrophobicContact CD1-CB 3.88Å; L259-K294 HydrophobicContact CD1-CD 3.66Å; L259-K294 HydrophobicContact CD1-CG 4.44Å; L259-L295 HydrophobicContact CD2-CD2 4.31Å; L259-L295 HydrophobicContact CG-CD1 4.47Å; L259-L295 HydrophobicContact CG-CD2 4.38Å; L259-L295 HydrophobicContact CG-CG 4.39Å
260	D	98.6	Very high	98	Very high	96 Å²	96	58 Å²	58	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-42.1	-178.9	-63.7	-31.8	0	0	0	111.4	T258 I262 K263 D264	T258-D260 VanDerWaalsContact C-N 3.31Å; T258-D260 PolarHBondContact O-N 2.82Å; D260-I262 VanDerWaalsContact C-N 3.31Å; D260-I262 PolarHBondContact O-N 2.88Å; D260-K263 PolarHBondContact O-N 3Å; D260-D264 WeakPolarHBondContact O-CB 3.23Å; D260-D264 VanDerWaalsContact O-CG 3.24Å; D260-D264 PolarHBondContact O-N 3.41Å
261	M	98.8	Very high	98	Very high	13 Å²	13	65.7 Å²	65.7	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-57.7	-45	174.6	-68.5	176.8	-153.9	0	0	111.7	I211 T242 S253 Y256 T258 H265	I211-M261 HydrophobicContact CD1-CB 4.17Å; I211-M261 WeakPolarHBondContact CD1-O 3.38Å; T242-M261 HydrophobicContact CG2-SD 4.13Å; S253-M261 VanDerWaalsContact CB-CE 3.48Å; Y256-M261 WeakPolarHBondContact O-CE 3.39Å; T258-M261 HydrophobicContact CG2-CE 4.05Å; T258-M261 PolarHBondContact O-N 2.79Å; T258-M261 VanDerWaalsContact OG1-CG 3.29Å; T258-M261 WeakPolarHBondContact OG1-CG 3.35Å; T258-M261 PolarHBondContact OG1-N 2.97Å; M261-H265 WeakPolarHBondContact O-CB 3.29Å; M261-H265 PolarHBondContact O-CD2 3.4Å; M261-H265 VanDerWaalsContact O-CD2 3.23Å; M261-H265 PolarHBondContact O-N 2.78Å
262	I	98.8	Very high	98.1	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-47.2	178	-62.7	176.1	0	0	0	109.9	I182 I211 V257 T258 L259 D260 D264 I266 N291 L292 L295	I182-I262 HydrophobicContact CD1-CD1 3.87Å; I182-I262 HydrophobicContact CD1-CG1 3.94Å; I211-I262 HydrophobicContact CD1-CG1 4.16Å; V257-I262 HydrophobicContact CG1-CD1 3.84Å; V257-I262 HydrophobicContact CG1-CG1 3.71Å; T258-I262 WeakPolarHBondContact O-CG1 3.32Å; T258-I262 PolarHBondContact O-N 3.4Å; L259-I262 PolarHBondContact O-N 3.01Å; D260-I262 VanDerWaalsContact C-N 3.31Å; D260-I262 PolarHBondContact O-N 2.88Å; I262-D264 VanDerWaalsContact C-N 3.29Å; I262-D264 PolarHBondContact O-N 2.77Å; I262-I266 HydrophobicContact CG2-CB 4.03Å; I262-I266 HydrophobicContact CG2-CG1 4.13Å; I262-I266 HydrophobicContact CG2-CG2 4.39Å; I262-I266 WeakPolarHBondContact O-CA 3.5Å; I262-I266 VanDerWaalsContact O-CB 3.23Å; I262-I266 WeakPolarHBondContact O-CB 3.49Å; I262-I266 PolarHBondContact O-N 2.66Å; I262-N291 HydrophobicContact CD1-CB 3.77Å; I262-L292 HydrophobicContact CD1-CG 4.3Å; I262-L292 HydrophobicContact CG2-CD2 3.79Å; I262-L295 HydrophobicContact CB-CD1 3.82Å; I262-L295 HydrophobicContact CG2-CD1 3.49Å; I262-L295 VanDerWaalsContact CG2-CD1 3.49Å
263	K	98.6	Very high	98.2	Very high	131 Å²	131	59.9 Å²	59.9	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-57.7	-40.7	179.5	-176.8	-173.5	173.1	-168.5	0	112.7	L259 D260 L295	L259-K263 WeakPolarHBondContact O-CB 3.15Å; L259-K263 PolarHBondContact O-N 3.21Å; D260-K263 PolarHBondContact O-N 3Å; K263-L295 HydrophobicContact CB-CD1 4.15Å; K263-L295 HydrophobicContact CB-CD2 4.04Å; K263-L295 HydrophobicContact CG-CD2 4.21Å
264	D	98.6	Very high	98.2	Very high	109 Å²	109	58.8 Å²	58.8	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-87.1	-27.4	-172	-66	-15.5	0	0	0	113	D260 I262	D260-D264 WeakPolarHBondContact O-CB 3.23Å; D260-D264 VanDerWaalsContact O-CG 3.24Å; D260-D264 PolarHBondContact O-N 3.41Å; I262-D264 VanDerWaalsContact C-N 3.29Å; I262-D264 PolarHBondContact O-N 2.77Å
265	H	98.6	Very high	98.2	Very high	49 Å²	49	55.4 Å²	55.4	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-116.9	-17.8	-171.2	-56	-58.6	0	0	0	114.9	S209 I211 W240 M261	S209-H265 WeakPolarHBondContact CB-O 3.29Å; S209-H265 PolarHBondContact OG-O 2.99Å; I211-H265 HydrophobicContact CD1-CB 4.18Å; I211-H265 HydrophobicContact CG1-CB 3.96Å; W240-H265 HydrophobicContact CB-CB 4.04Å; W240-H265 AromaticContact CD1-CD2 3.34Å; W240-H265 AromaticContact CD1-CG 3.9Å; W240-H265 AromaticContact CD1-NE2 3.5Å; W240-H265 AromaticContact CD2-CD2 3.8Å; W240-H265 AromaticContact CD2-CE1 3.24Å; W240-H265 AromaticContact CD2-CG 3.93Å; W240-H265 AromaticContact CD2-ND1 3.6Å; W240-H265 AromaticContact CD2-NE2 3.37Å; W240-H265 AromaticContact CE2-CD2 3.86Å; W240-H265 AromaticContact CE2-CE1 3.39Å; W240-H265 AromaticContact CE2-NE2 3.14Å; W240-H265 AromaticContact CE3-CE1 3.46Å; W240-H265 VanDerWaalsContact CE3-CE1 3.46Å; W240-H265 AromaticContact CE3-ND1 3.76Å; W240-H265 HydrophobicContact CG-CB 4.34Å; W240-H265 AromaticContact CG-CD2 3.48Å; W240-H265 VanDerWaalsContact CG-CD2 3.48Å; W240-H265 AromaticContact CG-CE1 3.74Å; W240-H265 AromaticContact CG-CG 3.57Å; W240-H265 AromaticContact CG-ND1 3.74Å; W240-H265 AromaticContact CG-NE2 3.59Å; W240-H265 AromaticContact CH2-CE1 3.94Å; W240-H265 AromaticContact CZ2-CE1 3.75Å; W240-H265 AromaticContact CZ2-NE2 3.66Å; W240-H265 AromaticContact CZ3-CE1 3.81Å; W240-H265 AromaticContact NE1-CD2 3.56Å; W240-H265 AromaticContact NE1-CE1 3.9Å; W240-H265 AromaticContact NE1-NE2 3.21Å; W240-H265 PolarHBondContact NE1-NE2 3.46Å; M261-H265 WeakPolarHBondContact O-CB 3.29Å; M261-H265 PolarHBondContact O-CD2 3.4Å; M261-H265 VanDerWaalsContact O-CD2 3.23Å; M261-H265 PolarHBondContact O-N 2.78Å
266	I	98.6	Very high	98.3	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.046	28%	0.281	C	S	.	.	S	Bend	trans	-101.4	143.5	175.3	-60.6	-59.2	0	0	0	109.5	I182 S209 I211 I262 I275	I182-I266 HydrophobicContact CD1-CG1 4.42Å; I182-I266 HydrophobicContact CG1-CD1 4.14Å; I182-I266 HydrophobicContact CG1-CG1 4.29Å; S209-I266 WeakPolarHBondContact O-CD1 3.33Å; I211-I266 HydrophobicContact CD1-CD1 4.08Å; I211-I266 HydrophobicContact CD1-CG1 3.66Å; I211-I266 HydrophobicContact CG1-CD1 4Å; I211-I266 HydrophobicContact CG1-CG1 4.15Å; I262-I266 HydrophobicContact CG2-CB 4.03Å; I262-I266 HydrophobicContact CG2-CG1 4.13Å; I262-I266 HydrophobicContact CG2-CG2 4.39Å; I262-I266 WeakPolarHBondContact O-CA 3.5Å; I262-I266 VanDerWaalsContact O-CB 3.23Å; I262-I266 WeakPolarHBondContact O-CB 3.49Å; I262-I266 PolarHBondContact O-N 2.66Å; I266-I275 HydrophobicContact CG2-CD1 3.46Å; I266-I275 VanDerWaalsContact CG2-CD1 3.46Å
267	P	98.1	Very high	98.4	Very high	17 Å²	17	46.2 Å²	46.2	11%	0.11	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.6	140.3	174.7	22.9	-36.7	0	0	0	112	H178 V273 H297	H178-P267 HydrophobicContact CB-CB 4.32Å; H178-P267 HydrophobicContact CB-CG 4.24Å; P267-V273 HydrophobicContact CB-CG1 4.09Å; P267-V273 HydrophobicContact CB-CG2 3.99Å; P267-V273 HydrophobicContact CG-CG1 3.58Å; P267-V273 HydrophobicContact CG-CG2 4.31Å; P267-H297 PolarHBondContact O-CE1 3.21Å; P267-H297 PolarHBondContact O-NE2 3.31Å
268	A	98.3	Very high	98.4	Very high	82 Å²	82	47 Å²	47	68%	0.678	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-56.2	151	174	0	0	0	0	0	112	S270	A268-S270 PolarHBondContact O-N 2.95Å
269	A	98.2	Very high	98.3	Very high	41 Å²	41	45.4 Å²	45.4	34%	0.339	25%	0.25	S	C	.	.	S	Bend	trans	-55.3	128.8	-180	0	0	0	0	0	112.1	G296	A269-G296 VanDerWaalsContact CB-O 3.27Å; A269-G296 WeakPolarHBondContact CB-O 3.42Å
270	S	97.6	Very high	98.2	Very high	58 Å²	58	46.5 Å²	46.5	41%	0.406	26%	0.26	S	S	.	.			trans	-161.4	156.9	178	171.8	0	0	0	0	109.5	A268 D272 V273 N301	A268-S270 PolarHBondContact O-N 2.95Å; S270-D272 PolarHBondContact O-N 3.37Å; S270-D272 PolarHBondContact OG-N 3.36Å; S270-V273 PolarHBondContact O-N 3.5Å; S270-V273 VanDerWaalsContact O-N 3.11Å; S270-N301 PolarHBondContact O-ND2 3.11Å
271	R	96.3	Very high	98.1	Very high	198 Å²	198	44.3 Å²	44.3	75%	0.747	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.7	173.9	70.4	-179.7	-169.6	-179.3	-1.8	113.2	Q174 V273 N301	Q174-R271 PolarHBondContact NE2-O 3.2Å; R271-V273 VanDerWaalsContact C-N 3.3Å; R271-N301 PolarHBondContact O-ND2 2.98Å
272	D	97.3	Very high	97.9	Very high	39 Å²	39	47.1 Å²	47.1	21%	0.209	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	5.4	-178.3	-67.4	-11.8	0	0	0	112.2	F176 K177 H178 S270	F176-D272 CarbonylContact C-O 3.57Å; F176-D272 WeakPolarHBondContact CA-O 3.46Å; K177-D272 HydrophobicContact CB-CB 4.33Å; K177-D272 HydrophobicContact CD-CB 4.17Å; K177-D272 WeakPolarHBondContact CD-OD2 3.38Å; K177-D272 WeakPolarHBondContact CE-OD2 3.3Å; K177-D272 HydrophobicContact CG-CB 4.19Å; K177-D272 PolarHBondContact N-O 3.5Å; K177-D272 IonicContact NZ-OD2 2.76Å; K177-D272 PolarHBondContact NZ-OD2 3.13Å; H178-D272 PolarHBondContact N-O 3.05Å; S270-D272 PolarHBondContact O-N 3.37Å; S270-D272 PolarHBondContact OG-N 3.36Å
273	V	98.6	Very high	97.9	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.5	-178	173.8	0	0	0	0	110.6	F176 H178 P267 S270 R271 I275 N301	F176-V273 VanDerWaalsContact CD1-C 3.43Å; H178-V273 HydrophobicContact CB-CG2 4.26Å; H178-V273 VanDerWaalsContact O-CA 3.32Å; H178-V273 WeakPolarHBondContact O-CA 3.32Å; P267-V273 HydrophobicContact CB-CG1 4.09Å; P267-V273 HydrophobicContact CB-CG2 3.99Å; P267-V273 HydrophobicContact CG-CG1 3.58Å; P267-V273 HydrophobicContact CG-CG2 4.31Å; S270-V273 PolarHBondContact O-N 3.5Å; S270-V273 VanDerWaalsContact O-N 3.11Å; R271-V273 VanDerWaalsContact C-N 3.3Å; V273-I275 HydrophobicContact CG1-CD1 3.86Å; V273-N301 WeakPolarHBondContact O-CB 3.31Å; V273-N301 PolarHBondContact O-ND2 3.31Å; V273-N301 VanDerWaalsContact O-ND2 3.07Å
274	L	98.9	Very high	97.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.2	169.9	177	66.4	0	0	0	109.1	L153 F161 I163 F176 H178 V179 G180 V276	L153-L274 HydrophobicContact CD1-CD2 4.28Å; F161-L274 HydrophobicContact CD1-CD2 3.61Å; F161-L274 HydrophobicContact CD2-CD2 4.12Å; F161-L274 HydrophobicContact CE1-CD2 3.71Å; F161-L274 HydrophobicContact CE2-CD2 4.19Å; F161-L274 HydrophobicContact CG-CD2 3.83Å; F161-L274 HydrophobicContact CZ-CD2 4Å; I163-L274 HydrophobicContact CD1-CD1 3.93Å; I163-L274 HydrophobicContact CD1-CD2 4.21Å; F176-L274 HydrophobicContact CB-CB 4.11Å; F176-L274 HydrophobicContact CD1-CB 3.68Å; F176-L274 HydrophobicContact CD2-CB 3.8Å; F176-L274 HydrophobicContact CD2-CD2 4.18Å; F176-L274 HydrophobicContact CD2-CG 4.44Å; F176-L274 HydrophobicContact CE1-CB 3.92Å; F176-L274 HydrophobicContact CE2-CB 4.04Å; F176-L274 HydrophobicContact CE2-CD1 4.15Å; F176-L274 HydrophobicContact CE2-CD2 4.25Å; F176-L274 HydrophobicContact CE2-CG 4.38Å; F176-L274 HydrophobicContact CG-CB 3.59Å; F176-L274 HydrophobicContact CZ-CB 4.09Å; F176-L274 HydrophobicContact CZ-CD1 4.04Å; H178-L274 PolarHBondContact O-N 2.99Å; V179-L274 CarbonylContact C-O 3.57Å; V179-L274 VanDerWaalsContact CA-O 3.26Å; V179-L274 WeakPolarHBondContact CA-O 3.36Å; G180-L274 PolarHBondContact N-O 2.78Å; L274-V276 HydrophobicContact CD2-CG1 3.89Å; L274-V276 HydrophobicContact CG-CG1 4.01Å
275	I	98.9	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126	169.7	-55.1	-57	0	0	0	109.1	G180 I266 V273 L277 L292 H297 N301 I302 F303	G180-I275 CarbonylContact O-C 3.55Å; G180-I275 VanDerWaalsContact O-CA 3.27Å; G180-I275 WeakPolarHBondContact O-CA 3.49Å; I266-I275 HydrophobicContact CG2-CD1 3.46Å; I266-I275 VanDerWaalsContact CG2-CD1 3.46Å; V273-I275 HydrophobicContact CG1-CD1 3.86Å; I275-L277 HydrophobicContact CG2-CD2 3.8Å; I275-L277 HydrophobicContact CG2-CG 4.3Å; I275-L292 HydrophobicContact CG1-CD2 4.2Å; I275-L292 HydrophobicContact CG2-CD1 3.82Å; I275-L292 HydrophobicContact CG2-CD2 4.05Å; I275-H297 WeakPolarHBondContact CG1-ND1 3.45Å; I275-N301 PolarHBondContact N-O 2.75Å; I275-I302 HydrophobicContact CB-CG1 4.06Å; I275-I302 HydrophobicContact CG1-CG1 4.45Å; I275-I302 CarbonylContact O-C 3.53Å; I275-I302 WeakPolarHBondContact O-CA 3.42Å; I275-F303 PolarHBondContact O-N 3.07Å
276	V	98.9	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.7	173.8	-64.5	0	0	0	0	111.2	L153 V179 G180 M181 I182 M191 L194 L274 F303 Y305	L153-V276 HydrophobicContact CD1-CG1 4.07Å; V179-V276 HydrophobicContact CG1-CG1 4.32Å; V179-V276 HydrophobicContact CG1-CG2 3.78Å; G180-V276 PolarHBondContact O-N 3.24Å; M181-V276 WeakPolarHBondContact CA-O 3.39Å; M181-V276 HydrophobicContact CB-CG2 4.05Å; M181-V276 HydrophobicContact CG-CG2 3.6Å; I182-V276 PolarHBondContact N-O 3.06Å; M191-V276 HydrophobicContact CE-CB 4.39Å; M191-V276 HydrophobicContact CE-CG2 4.11Å; M191-V276 HydrophobicContact SD-CB 4.28Å; M191-V276 HydrophobicContact SD-CG2 3.5Å; M191-V276 WeakPolarHBondContact SD-CG2 3.44Å; L194-V276 HydrophobicContact CD1-CG2 4.27Å; L274-V276 HydrophobicContact CD2-CG1 3.89Å; L274-V276 HydrophobicContact CG-CG1 4.01Å; V276-F303 CarbonylContact C-O 3.54Å; V276-F303 VanDerWaalsContact CA-O 3.25Å; V276-F303 WeakPolarHBondContact CA-O 3.39Å; V276-F303 HydrophobicContact CG1-CB 4.32Å; V276-Y305 HydrophobicContact CB-CE2 3.93Å; V276-Y305 HydrophobicContact CG1-CE2 4.31Å; V276-Y305 HydrophobicContact CG2-CE2 4.49Å
277	L	98.8	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.3	-174.6	-52.2	178.5	0	0	0	110.2	I182 I275 I284 C288 L289 L292 I302 F303 A304 Y305	I182-L277 HydrophobicContact CB-CD2 3.67Å; I182-L277 HydrophobicContact CD1-CD2 3.85Å; I182-L277 HydrophobicContact CG1-CD2 3.95Å; I182-L277 WeakPolarHBondContact O-CA 3.35Å; I275-L277 HydrophobicContact CG2-CD2 3.8Å; I275-L277 HydrophobicContact CG2-CG 4.3Å; L277-I284 HydrophobicContact CB-CD1 4.46Å; L277-I284 HydrophobicContact CB-CG1 4.45Å; L277-I284 HydrophobicContact CD1-CG2 4.07Å; L277-C288 HydrophobicContact CD1-CB 4.06Å; L277-C288 HydrophobicContact CD2-CB 4.15Å; L277-L289 HydrophobicContact CD1-CD2 3.78Å; L277-L289 HydrophobicContact CD1-CG 4.32Å; L277-L292 HydrophobicContact CD1-CD1 4.1Å; L277-L292 HydrophobicContact CD2-CD1 4.09Å; L277-I302 HydrophobicContact CD1-CG2 3.8Å; L277-I302 HydrophobicContact CG-CG2 4.29Å; L277-F303 PolarHBondContact N-O 3.07Å; L277-A304 HydrophobicContact CB-CB 4.26Å; L277-A304 WeakPolarHBondContact O-CA 3.47Å; L277-Y305 PolarHBondContact O-N 2.76Å
278	C	98.6	Very high	97.8	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	125.6	168.3	-167.8	0	0	0	0	110.5	I182 A183 G184 G187 P190 M191 Y305	I182-C278 PolarHBondContact O-N 3.28Å; I182-C278 VanDerWaalsContact O-N 3.13Å; A183-C278 CarbonylContact C-O 3.5Å; A183-C278 VanDerWaalsContact CA-O 3.25Å; A183-C278 WeakPolarHBondContact CA-O 3.37Å; G184-C278 PolarHBondContact N-O 2.91Å; G187-C278 VanDerWaalsContact CA-SG 3.52Å; G187-C278 WeakPolarHBondContact O-CB 3.42Å; P190-C278 HydrophobicContact CG-CB 4.41Å; M191-C278 HydrophobicContact CE-CB 3.55Å; C278-Y305 HydrophobicContact CB-CD2 4.09Å; C278-Y305 HydrophobicContact CB-CG 4.39Å
279	G	97.3	Very high	97.8	Very high	24 Å²	24	47.6 Å²	47.6	25%	0.247	26%	0.261	C	S	.	.	S	Bend	trans	166.8	-172.7	-177.4	0	0	0	0	0	111.4	A281	G279-A281 PolarHBondContact O-N 2.8Å
280	P	95.6	Very high	97.8	Very high	76 Å²	76	47.8 Å²	47.8	49%	0.494	26%	0.259	S	S	.	.			trans	-54.9	140	178.4	-26	35.3	0	0	0	112.2	P282 M283 I284	P280-P282 VanDerWaalsContact C-CD 3.41Å; P280-P282 VanDerWaalsContact C-N 3.3Å; P280-M283 HydrophobicContact CB-CB 4.45Å; P280-M283 WeakPolarHBondContact O-CA 3.49Å; P280-M283 VanDerWaalsContact O-CB 3.3Å; P280-M283 WeakPolarHBondContact O-CB 3.38Å; P280-M283 PolarHBondContact O-N 2.81Å; P280-I284 PolarHBondContact O-N 2.89Å; P280-I284 VanDerWaalsContact O-N 3.16Å
281	A	96.1	Very high	97.9	Very high	49 Å²	49	46 Å²	46	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-53.2	-38.8	-179.6	0	0	0	0	0	114.1	G279 M283 I284 R285	G279-A281 PolarHBondContact O-N 2.8Å; A281-M283 VanDerWaalsContact C-N 3.35Å; A281-M283 PolarHBondContact O-N 2.84Å; A281-I284 PolarHBondContact O-N 2.82Å; A281-R285 WeakPolarHBondContact O-CB 3.43Å; A281-R285 WeakPolarHBondContact O-CG 3.38Å; A281-R285 PolarHBondContact O-N 2.76Å
282	P	96.3	Very high	98	Very high	73 Å²	73	36.5 Å²	36.5	47%	0.474	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-38.3	173.8	-24.1	35.5	0	0	0	113.6	P280 N286	P280-P282 VanDerWaalsContact C-CD 3.41Å; P280-P282 VanDerWaalsContact C-N 3.3Å; P282-N286 WeakPolarHBondContact O-CB 3.33Å; P282-N286 PolarHBondContact O-N 2.79Å
283	M	98.1	Very high	98	Very high	27 Å²	27	41.1 Å²	41.1	13%	0.133	23%	0.229	C	C	.	.	I	π-helix	trans	-61.8	-51.1	176.4	172.7	-173.4	165.7	0	0	110.3	I182 A213 V257 P280 A281 A287 C288	I182-M283 HydrophobicContact CG2-CE 3.55Å; A213-M283 HydrophobicContact CB-CE 4.22Å; A213-M283 HydrophobicContact CB-SD 4.46Å; V257-M283 HydrophobicContact CG2-CE 3.99Å; P280-M283 HydrophobicContact CB-CB 4.45Å; P280-M283 WeakPolarHBondContact O-CA 3.49Å; P280-M283 VanDerWaalsContact O-CB 3.3Å; P280-M283 WeakPolarHBondContact O-CB 3.38Å; P280-M283 PolarHBondContact O-N 2.81Å; A281-M283 VanDerWaalsContact C-N 3.35Å; A281-M283 PolarHBondContact O-N 2.84Å; M283-A287 WeakPolarHBondContact O-CA 3.25Å; M283-A287 VanDerWaalsContact O-CB 3.31Å; M283-A287 WeakPolarHBondContact O-CB 3.32Å; M283-A287 PolarHBondContact O-N 3.18Å; M283-C288 PolarHBondContact O-N 2.88Å
284	I	98.3	Very high	98	Very high	22 Å²	22	47.7 Å²	47.7	11%	0.113	26%	0.257	C	S	.	.	I	π-helix	trans	-61.4	-50.9	-179.2	-62.3	179.2	0	0	0	110.7	L277 P280 A281 L289 A304	L277-I284 HydrophobicContact CB-CD1 4.46Å; L277-I284 HydrophobicContact CB-CG1 4.45Å; L277-I284 HydrophobicContact CD1-CG2 4.07Å; P280-I284 PolarHBondContact O-N 2.89Å; P280-I284 VanDerWaalsContact O-N 3.16Å; A281-I284 PolarHBondContact O-N 2.82Å; I284-L289 HydrophobicContact CG2-CD1 4.01Å; I284-L289 HydrophobicContact CG2-CG 4.11Å; I284-L289 WeakPolarHBondContact O-CG 3.25Å; I284-L289 PolarHBondContact O-N 2.96Å; I284-A304 HydrophobicContact CD1-CB 4.45Å; I284-A304 HydrophobicContact CG2-CB 4.48Å
285	R	98	Very high	98	Very high	158 Å²	158	49.9 Å²	49.9	60%	0.596	27%	0.268	S	S	*	.	I	π-helix	trans	-73.4	-34.6	-172.6	-68	-170.6	-60.3	-142.5	2.8	114.1	A281 P290	A281-R285 WeakPolarHBondContact O-CB 3.43Å; A281-R285 WeakPolarHBondContact O-CG 3.38Å; A281-R285 PolarHBondContact O-N 2.76Å; R285-P290 VanDerWaalsContact O-CD 3.3Å; R285-P290 WeakPolarHBondContact O-CD 3.47Å; R285-P290 WeakPolarHBondContact O-CG 3.31Å
286	N	97.6	Very high	98	Very high	120 Å²	120	52 Å²	52	64%	0.642	29%	0.291	S	S	*	.	I	π-helix	trans	-105.7	-34.2	-169.6	-53.1	-12.4	0	0	0	112.3	P282	P282-N286 WeakPolarHBondContact O-CB 3.33Å; P282-N286 PolarHBondContact O-N 2.79Å
287	A	97.5	Very high	97.9	Very high	14 Å²	14	52.8 Å²	52.8	12%	0.116	30%	0.295	C	S	.	.	I	π-helix	trans	-102.7	-38.6	-174.7	0	0	0	0	0	112.9	V257 M283 N291	V257-A287 HydrophobicContact CB-CB 4.32Å; M283-A287 WeakPolarHBondContact O-CA 3.25Å; M283-A287 VanDerWaalsContact O-CB 3.31Å; M283-A287 WeakPolarHBondContact O-CB 3.32Å; M283-A287 PolarHBondContact O-N 3.18Å; A287-N291 PolarHBondContact O-ND2 3.22Å
288	C	98.5	Very high	97.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	I	π-helix	trans	-87.3	-64.6	-176.3	-56.7	0	0	0	0	112.6	L277 M283 N291 L292	L277-C288 HydrophobicContact CD1-CB 4.06Å; L277-C288 HydrophobicContact CD2-CB 4.15Å; M283-C288 PolarHBondContact O-N 2.88Å; C288-N291 PolarHBondContact O-N 3.21Å; C288-L292 HydrophobicContact CB-CD1 4.41Å; C288-L292 WeakPolarHBondContact O-CG 3.47Å; C288-L292 PolarHBondContact O-N 3.11Å
289	L	98.6	Very high	97.7	Very high	67 Å²	67	63.2 Å²	63.2	35%	0.351	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-46.4	-169	-67.6	173.9	0	0	0	113.9	L277 I284 N291 L292 E293 I302	L277-L289 HydrophobicContact CD1-CD2 3.78Å; L277-L289 HydrophobicContact CD1-CG 4.32Å; I284-L289 HydrophobicContact CG2-CD1 4.01Å; I284-L289 HydrophobicContact CG2-CG 4.11Å; I284-L289 WeakPolarHBondContact O-CG 3.25Å; I284-L289 PolarHBondContact O-N 2.96Å; L289-N291 VanDerWaalsContact C-N 3.3Å; L289-N291 PolarHBondContact O-N 3.2Å; L289-L292 PolarHBondContact O-N 3.04Å; L289-E293 PolarHBondContact O-N 3.35Å; L289-I302 HydrophobicContact CD2-CG2 3.9Å
290	P	98.4	Very high	97.5	Very high	44 Å²	44	69 Å²	69	29%	0.286	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-32.9	-179.8	-21.9	35.1	0	0	0	113.1	R285 K294	R285-P290 VanDerWaalsContact O-CD 3.3Å; R285-P290 WeakPolarHBondContact O-CD 3.47Å; R285-P290 WeakPolarHBondContact O-CG 3.31Å; P290-K294 VanDerWaalsContact O-CG 3.29Å; P290-K294 WeakPolarHBondContact O-CG 3.47Å; P290-K294 PolarHBondContact O-N 3.19Å
291	N	98.6	Very high	97.6	Very high	20 Å²	20	66 Å²	66	11%	0.107	34%	0.344	C	S	.	.	H	α-helix	trans	-77.9	-37.4	179.7	-71.6	-30	0	0	0	111.7	L259 I262 A287 C288 L289 E293 K294 L295	L259-N291 HydrophobicContact CB-CB 4.29Å; L259-N291 PolarHBondContact N-ND2 3.21Å; I262-N291 HydrophobicContact CD1-CB 3.77Å; A287-N291 PolarHBondContact O-ND2 3.22Å; C288-N291 PolarHBondContact O-N 3.21Å; L289-N291 VanDerWaalsContact C-N 3.3Å; L289-N291 PolarHBondContact O-N 3.2Å; N291-E293 VanDerWaalsContact C-N 3.33Å; N291-E293 PolarHBondContact O-N 3.04Å; N291-K294 PolarHBondContact O-N 2.99Å; N291-L295 VanDerWaalsContact O-CG 3.31Å; N291-L295 WeakPolarHBondContact O-CG 3.27Å; N291-L295 PolarHBondContact O-N 3.41Å; N291-L295 VanDerWaalsContact O-N 3.11Å
292	L	98.7	Very high	97.7	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-42.1	171.8	-74.5	166.1	0	0	0	111.8	I182 I262 I275 L277 C288 L289 L295 G296 H297 I302	I182-L292 HydrophobicContact CD1-CD1 4.43Å; I262-L292 HydrophobicContact CD1-CG 4.3Å; I262-L292 HydrophobicContact CG2-CD2 3.79Å; I275-L292 HydrophobicContact CG1-CD2 4.2Å; I275-L292 HydrophobicContact CG2-CD1 3.82Å; I275-L292 HydrophobicContact CG2-CD2 4.05Å; L277-L292 HydrophobicContact CD1-CD1 4.1Å; L277-L292 HydrophobicContact CD2-CD1 4.09Å; C288-L292 HydrophobicContact CB-CD1 4.41Å; C288-L292 WeakPolarHBondContact O-CG 3.47Å; C288-L292 PolarHBondContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 3.04Å; L292-L295 CarbonylContact O-C 3.6Å; L292-L295 PolarHBondContact O-N 3.49Å; L292-G296 PolarHBondContact O-N 3.2Å; L292-H297 HydrophobicContact CB-CB 4.13Å; L292-H297 HydrophobicContact CD2-CB 4.31Å; L292-H297 WeakPolarHBondContact O-CB 3.29Å; L292-H297 PolarHBondContact O-N 3.08Å; L292-I302 HydrophobicContact CB-CD1 4.1Å; L292-I302 HydrophobicContact CD1-CD1 4.22Å
293	E	98.3	Very high	97.8	Very high	135 Å²	135	62.8 Å²	62.8	63%	0.631	32%	0.315	S	S	*	.	H	α-helix	trans	-61.9	-46.6	175.9	-179.3	172.2	-151	0	0	111.7	L289 N291 L295 G296	L289-E293 PolarHBondContact O-N 3.35Å; N291-E293 VanDerWaalsContact C-N 3.33Å; N291-E293 PolarHBondContact O-N 3.04Å; E293-L295 PolarHBondContact O-N 3.22Å; E293-G296 PolarHBondContact O-N 3.35Å
294	K	98.5	Very high	97.8	Very high	149 Å²	149	63.9 Å²	63.9	65%	0.648	33%	0.328	S	S	*	.	H	α-helix	trans	-58.8	-29.8	174.8	-72.8	170.2	-175.7	175.8	0	113.3	L259 P290 N291 G296	L259-K294 HydrophobicContact CD1-CB 3.88Å; L259-K294 HydrophobicContact CD1-CD 3.66Å; L259-K294 HydrophobicContact CD1-CG 4.44Å; P290-K294 VanDerWaalsContact O-CG 3.29Å; P290-K294 WeakPolarHBondContact O-CG 3.47Å; P290-K294 PolarHBondContact O-N 3.19Å; N291-K294 PolarHBondContact O-N 2.99Å; K294-G296 VanDerWaalsContact C-N 3.32Å
295	L	98.6	Very high	97.7	Very high	47 Å²	47	66.3 Å²	66.3	25%	0.246	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.1	177.8	-66.2	171.5	0	0	0	113.1	L259 I262 K263 N291 L292 E293	L259-L295 HydrophobicContact CD2-CD2 4.31Å; L259-L295 HydrophobicContact CG-CD1 4.47Å; L259-L295 HydrophobicContact CG-CD2 4.38Å; L259-L295 HydrophobicContact CG-CG 4.39Å; I262-L295 HydrophobicContact CB-CD1 3.82Å; I262-L295 HydrophobicContact CG2-CD1 3.49Å; I262-L295 VanDerWaalsContact CG2-CD1 3.49Å; K263-L295 HydrophobicContact CB-CD1 4.15Å; K263-L295 HydrophobicContact CB-CD2 4.04Å; K263-L295 HydrophobicContact CG-CD2 4.21Å; N291-L295 VanDerWaalsContact O-CG 3.31Å; N291-L295 WeakPolarHBondContact O-CG 3.27Å; N291-L295 PolarHBondContact O-N 3.41Å; N291-L295 VanDerWaalsContact O-N 3.11Å; L292-L295 CarbonylContact O-C 3.6Å; L292-L295 PolarHBondContact O-N 3.49Å; E293-L295 PolarHBondContact O-N 3.22Å
296	G	98.3	Very high	97.6	Very high	46 Å²	46	61.8 Å²	61.8	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	10.6	173.2	0	0	0	0	0	115.3	A269 L292 E293 K294 T298	A269-G296 VanDerWaalsContact CB-O 3.27Å; A269-G296 WeakPolarHBondContact CB-O 3.42Å; L292-G296 PolarHBondContact O-N 3.2Å; E293-G296 PolarHBondContact O-N 3.35Å; K294-G296 VanDerWaalsContact C-N 3.32Å; G296-T298 PolarHBondContact O-N 3.46Å
297	H	98.3	Very high	97.6	Very high	16 Å²	16	58.7 Å²	58.7	7%	0.074	31%	0.306	C	S	.	.			trans	-70.9	125.3	173.2	-67.8	-88.7	0	0	0	110.2	P267 I275 L292 I302	P267-H297 PolarHBondContact O-CE1 3.21Å; P267-H297 PolarHBondContact O-NE2 3.31Å; I275-H297 WeakPolarHBondContact CG1-ND1 3.45Å; L292-H297 HydrophobicContact CB-CB 4.13Å; L292-H297 HydrophobicContact CD2-CB 4.31Å; L292-H297 WeakPolarHBondContact O-CB 3.29Å; L292-H297 PolarHBondContact O-N 3.08Å; H297-I302 HydrophobicContact CB-CD1 3.99Å; H297-I302 HydrophobicContact CB-CG1 4.34Å
298	T	96.3	Very high	97.7	Very high	73 Å²	73	61.2 Å²	61.2	45%	0.448	32%	0.317	S	S	.	.			trans	-84.7	152.6	-178.6	78.5	0	0	0	0	111.4	G296 E300 N301 I302	G296-T298 PolarHBondContact O-N 3.46Å; T298-E300 WeakPolarHBondContact CB-OE2 3.42Å; T298-E300 PolarHBondContact O-N 3.28Å; T298-E300 PolarHBondContact OG1-OE2 3.06Å; T298-N301 PolarHBondContact O-N 2.82Å; T298-N301 VanDerWaalsContact O-N 3.08Å; T298-I302 WeakPolarHBondContact O-CG1 3.03Å; T298-I302 PolarHBondContact O-N 2.88Å
299	K	94.9	Very high	97.6	Very high	167 Å²	167	64.8 Å²	64.8	73%	0.726	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-62.2	-29.7	-175.3	-68.9	-179.5	-178.5	172.6	0	112.6	N301 I302	K299-N301 PolarHBondContact O-N 2.96Å; K299-I302 PolarHBondContact O-N 3.28Å
300	E	94.1	Very high	97.5	Very high	146 Å²	146	64.6 Å²	64.6	68%	0.682	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66.9	-26.6	179.6	-54	71	-147.2	0	0	111.8	T298	T298-E300 WeakPolarHBondContact CB-OE2 3.42Å; T298-E300 PolarHBondContact O-N 3.28Å; T298-E300 PolarHBondContact OG1-OE2 3.06Å
301	N	96.8	Very high	97.5	Very high	14 Å²	14	66 Å²	66	8%	0.075	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-100.5	12.4	178.3	-78.6	8	0	0	0	112.6	S270 R271 V273 I275 T298 K299	S270-N301 PolarHBondContact O-ND2 3.11Å; R271-N301 PolarHBondContact O-ND2 2.98Å; V273-N301 WeakPolarHBondContact O-CB 3.31Å; V273-N301 PolarHBondContact O-ND2 3.31Å; V273-N301 VanDerWaalsContact O-ND2 3.07Å; I275-N301 PolarHBondContact N-O 2.75Å; T298-N301 PolarHBondContact O-N 2.82Å; T298-N301 VanDerWaalsContact O-N 3.08Å; K299-N301 PolarHBondContact O-N 2.96Å
302	I	98.3	Very high	97.4	Very high	31 Å²	31	69.3 Å²	69.3	16%	0.159	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126	176.1	-60.2	165.5	0	0	0	109.3	I275 L277 L289 L292 H297 T298 K299	I275-I302 HydrophobicContact CB-CG1 4.06Å; I275-I302 HydrophobicContact CG1-CG1 4.45Å; I275-I302 CarbonylContact O-C 3.53Å; I275-I302 WeakPolarHBondContact O-CA 3.42Å; L277-I302 HydrophobicContact CD1-CG2 3.8Å; L277-I302 HydrophobicContact CG-CG2 4.29Å; L289-I302 HydrophobicContact CD2-CG2 3.9Å; L292-I302 HydrophobicContact CB-CD1 4.1Å; L292-I302 HydrophobicContact CD1-CD1 4.22Å; H297-I302 HydrophobicContact CB-CD1 3.99Å; H297-I302 HydrophobicContact CB-CG1 4.34Å; T298-I302 WeakPolarHBondContact O-CG1 3.03Å; T298-I302 PolarHBondContact O-N 2.88Å; K299-I302 PolarHBondContact O-N 3.28Å
303	F	98.4	Very high	97.3	Very high	23 Å²	23	74.6 Å²	74.6	10%	0.101	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.9	176.2	-177.1	-92.3	0	0	0	110.5	L152 L153 I163 I275 V276 L277 Y305	L152-F303 HydrophobicContact CB-CE2 3.83Å; L152-F303 HydrophobicContact CB-CZ 4.03Å; L153-F303 HydrophobicContact CB-CD1 4.14Å; L153-F303 HydrophobicContact CB-CD2 4.38Å; L153-F303 HydrophobicContact CB-CE1 3.7Å; L153-F303 HydrophobicContact CB-CE2 3.97Å; L153-F303 HydrophobicContact CB-CG 4.46Å; L153-F303 HydrophobicContact CB-CZ 3.61Å; L153-F303 HydrophobicContact CD1-CB 4.25Å; L153-F303 HydrophobicContact CD1-CD1 3.6Å; L153-F303 HydrophobicContact CD1-CD2 4.36Å; L153-F303 HydrophobicContact CD1-CE1 4.02Å; L153-F303 HydrophobicContact CD1-CG 3.8Å; I163-F303 HydrophobicContact CG2-CD2 3.77Å; I163-F303 HydrophobicContact CG2-CE2 4.09Å; I275-F303 PolarHBondContact O-N 3.07Å; V276-F303 CarbonylContact C-O 3.54Å; V276-F303 VanDerWaalsContact CA-O 3.25Å; V276-F303 WeakPolarHBondContact CA-O 3.39Å; V276-F303 HydrophobicContact CG1-CB 4.32Å; L277-F303 PolarHBondContact N-O 3.07Å; F303-Y305 HydrophobicContact CD1-CD2 4.23Å; F303-Y305 HydrophobicContact CD1-CE2 4.3Å; F303-Y305 HydrophobicContact CD1-CG 4.42Å; F303-Y305 AromaticContact CE1-CD1 3.87Å; F303-Y305 HydrophobicContact CE1-CD1 3.87Å; F303-Y305 HydrophobicContact CE1-CD2 4.2Å; F303-Y305 HydrophobicContact CE1-CE1 4.07Å; F303-Y305 HydrophobicContact CE1-CE2 4.4Å; F303-Y305 AromaticContact CE1-CG 3.94Å; F303-Y305 HydrophobicContact CE1-CG 3.94Å
304	A	97.9	Very high	97.2	Very high	49 Å²	49	69.6 Å²	69.6	41%	0.405	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.1	170.7	0	0	0	0	0	109.6	L277 I284	L277-A304 HydrophobicContact CB-CB 4.26Å; L277-A304 WeakPolarHBondContact O-CA 3.47Å; I284-A304 HydrophobicContact CD1-CB 4.45Å; I284-A304 HydrophobicContact CG2-CB 4.48Å
305	Y	96.3	Very high	97.1	Very high	74 Å²	74	62.4 Å²	62.4	29%	0.29	34%	0.335	S	S	.	.			trans	-68.3	0	178	-79.1	-86	0	0	0	113.5	G80 P190 M191 L194 V276 L277 C278 F303	G80-Y305 WeakPolarHBondContact O-CE1 3.35Å; P190-Y305 HydrophobicContact CB-CD1 3.81Å; P190-Y305 HydrophobicContact CB-CD2 3.93Å; P190-Y305 HydrophobicContact CB-CE1 3.64Å; P190-Y305 HydrophobicContact CB-CE2 3.75Å; P190-Y305 HydrophobicContact CB-CG 3.95Å; P190-Y305 HydrophobicContact CG-CD1 4.22Å; P190-Y305 HydrophobicContact CG-CD2 4.44Å; P190-Y305 HydrophobicContact CG-CG 4.18Å; M191-Y305 HydrophobicContact CE-CD2 4.09Å; M191-Y305 HydrophobicContact CE-CE2 4.15Å; M191-Y305 HydrophobicContact SD-CE2 4.17Å; L194-Y305 VanDerWaalsContact CD1-OH 3.31Å; L194-Y305 WeakPolarHBondContact CD1-OH 3.48Å; V276-Y305 HydrophobicContact CB-CE2 3.93Å; V276-Y305 HydrophobicContact CG1-CE2 4.31Å; V276-Y305 HydrophobicContact CG2-CE2 4.49Å; L277-Y305 PolarHBondContact O-N 2.76Å; C278-Y305 HydrophobicContact CB-CD2 4.09Å; C278-Y305 HydrophobicContact CB-CG 4.39Å; F303-Y305 HydrophobicContact CD1-CD2 4.23Å; F303-Y305 HydrophobicContact CD1-CE2 4.3Å; F303-Y305 HydrophobicContact CD1-CG 4.42Å; F303-Y305 AromaticContact CE1-CD1 3.87Å; F303-Y305 HydrophobicContact CE1-CD1 3.87Å; F303-Y305 HydrophobicContact CE1-CD2 4.2Å; F303-Y305 HydrophobicContact CE1-CE1 4.07Å; F303-Y305 HydrophobicContact CE1-CE2 4.4Å; F303-Y305 AromaticContact CE1-CG 3.94Å; F303-Y305 HydrophobicContact CE1-CG 3.94Å

Retrieved 305 of 305 residues in 370 ms (Link to these results)

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