A0A087X321_POEFO Loading...

LIM domain only 4b

AlphaFold DB , UniProt , Accession A0A087X321, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	42.9	Very low	236 Å²	236	131.7 Å²	131.7	100%	1.163	82%	0.816	S	S	*	*				0	121.6	0	-63.1	171.5	-178.1	0	0	107
2	V	35.6	Very low	43.1	Very low	140 Å²	140	128.7 Å²	128.7	85%	0.848	81%	0.814	S	S	*	*			trans	42.8	135.5	152.6	-53.9	0	0	0	0	119.4
3	N	37.4	Very low	44	Very low	148 Å²	148	129.4 Å²	129.4	79%	0.791	82%	0.815	S	S	*	*			cis	-171.2	-159.7	-10.4	-150.6	3.5	0	0	0	104.8
4	P	47.7	Very low	44.2	Very low	114 Å²	114	124.7 Å²	124.7	74%	0.74	80%	0.804	S	S	*	*				-121.8	-175.3	-123	38.9	-18.3	0	0	0	113.6
5	G	41.9	Very low	44.8	Very low	81 Å²	81	125.9 Å²	125.9	84%	0.835	81%	0.809	S	S	*	*			trans	113.1	85.3	155.3	0	0	0	0	0	115.6
6	G	36.3	Very low	44.9	Very low	71 Å²	71	121.8 Å²	121.8	73%	0.732	80%	0.797	S	S	*	*			trans	-126.8	94	161.9	0	0	0	0	0	108.5	S8	G6-S8 PolarHBondContact O-N 3.11Å
7	N	47.8	Very low	45.7	Very low	156 Å²	156	121.3 Å²	121.3	83%	0.834	80%	0.797	S	S	*	*			trans	-70.5	90.6	-179.8	-158.3	41.9	0	0	0	109.2	Q9	N7-Q9 VanDerWaalsContact C-N 3.3Å; N7-Q9 PolarHBondContact O-N 3.25Å
8	S	43.5	Very low	46.6	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	80%	0.797	S	S	*	*			trans	-80.3	84	171.7	28.8	0	0	0	0	109.6	G6	G6-S8 PolarHBondContact O-N 3.11Å
9	Q	50	Low	48.3	Very low	159 Å²	159	121.2 Å²	121.2	74%	0.743	79%	0.787	S	S	*	*			trans	-45.1	132.6	161.9	-134.4	174.4	-67.1	0	0	109.7	N7	N7-Q9 VanDerWaalsContact C-N 3.3Å; N7-Q9 PolarHBondContact O-N 3.25Å
10	P	50.4	Low	50.1	Low	105 Å²	105	122.9 Å²	122.9	68%	0.682	78%	0.777	S	S	*	*			trans	-62.5	143.7	166.4	26.5	-31.4	0	0	0	108.6	A12	P10-A12 PolarHBondContact O-N 3.23Å
11	P	44.5	Very low	52.2	Low	121 Å²	121	121.1 Å²	121.1	79%	0.786	76%	0.758	S	S	*	*			trans	-59.7	137.8	179.6	26.9	-32.4	0	0	0	108.6	V13	P11-V13 PolarHBondContact O-N 3.11Å
12	A	45	Very low	55	Low	95 Å²	95	117.4 Å²	117.4	79%	0.785	73%	0.731	S	S	*	*			trans	-45.3	127.5	172.8	0	0	0	0	0	109.2	P10 G14	P10-A12 PolarHBondContact O-N 3.23Å; A12-G14 VanDerWaalsContact C-N 3.27Å; A12-G14 PolarHBondContact O-N 3.26Å
13	V	55.3	Low	58	Low	138 Å²	138	110.9 Å²	110.9	84%	0.836	69%	0.691	S	S	*	*			trans	-53.7	100.2	167.4	172.6	0	0	0	0	106.1	P11 T15	P11-V13 PolarHBondContact O-N 3.11Å; V13-T15 PolarHBondContact O-N 3.18Å; V13-T15 VanDerWaalsContact O-N 3.1Å
14	G	46.4	Very low	60.8	Low	64 Å²	64	106.5 Å²	106.5	66%	0.66	68%	0.676	S	S	*	*			trans	-54	121.3	171.6	0	0	0	0	0	106.5	A12 G16	A12-G14 VanDerWaalsContact C-N 3.27Å; A12-G14 PolarHBondContact O-N 3.26Å; G14-G16 PolarHBondContact O-N 3.39Å
15	T	53.3	Low	63	Low	143 Å²	143	103.3 Å²	103.3	88%	0.877	66%	0.663	S	S	*	*			trans	-64.6	64.5	165.2	38.6	0	0	0	0	108.7	V13 S17	V13-T15 PolarHBondContact O-N 3.18Å; V13-T15 VanDerWaalsContact O-N 3.1Å; T15-S17 PolarHBondContact O-N 3.1Å; T15-S17 VanDerWaalsContact O-N 3.12Å
16	G	46.6	Very low	65.6	Low	59 Å²	59	102.9 Å²	102.9	61%	0.608	65%	0.647	S	S	*	*			trans	-59.8	115.3	157.3	0	0	0	0	0	105.4	G14 L18	G14-G16 PolarHBondContact O-N 3.39Å; G16-L18 PolarHBondContact O-N 3.37Å
17	S	58.3	Low	68.5	Low	114 Å²	114	101.5 Å²	101.5	80%	0.797	63%	0.632	S	S	*	*			trans	-56.7	86	170.1	162	0	0	0	0	108.5	T15 S19	T15-S17 PolarHBondContact O-N 3.1Å; T15-S17 VanDerWaalsContact O-N 3.12Å; S17-S19 PolarHBondContact O-N 3.33Å
18	L	61.8	Low	70.8	Confident	153 Å²	153	95.4 Å²	95.4	80%	0.801	61%	0.606	S	S	*	*			trans	-64.5	95.5	162.1	-70.6	173.8	0	0	0	104.8	G16 W20	G16-L18 PolarHBondContact O-N 3.37Å; L18-W20 VanDerWaalsContact C-N 3.32Å; L18-W20 PolarHBondContact O-N 2.8Å
19	S	77.9	Confident	73.4	Confident	87 Å²	87	94.8 Å²	94.8	61%	0.608	59%	0.589	S	S	*	*			trans	-59.6	99.4	175.4	57.6	0	0	0	0	107.4	S17 K21	S17-S19 PolarHBondContact O-N 3.33Å; S19-K21 PolarHBondContact O-N 3.39Å
20	W	84.1	Confident	75.6	Confident	156 Å²	156	87.7 Å²	87.7	59%	0.591	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-55	130.9	179.4	-83.8	-49.5	0	0	0	109.7	L18 K29	L18-W20 VanDerWaalsContact C-N 3.32Å; L18-W20 PolarHBondContact O-N 2.8Å; W20-K29 HydrophobicContact CB-CB 4.13Å; W20-K29 HydrophobicContact CB-CD 4.32Å; W20-K29 HydrophobicContact CB-CG 4.07Å; W20-K29 HydrophobicContact CD2-CD 4.06Å; W20-K29 HydrophobicContact CE3-CD 3.39Å; W20-K29 HydrophobicContact CE3-CG 4.37Å; W20-K29 VanDerWaalsContact CE3-NZ 3.33Å; W20-K29 HydrophobicContact CG-CB 4.48Å; W20-K29 HydrophobicContact CZ3-CD 3.89Å; W20-K29 VanDerWaalsContact CZ3-NZ 3.34Å
21	K	95.2	Very high	77.7	Confident	85 Å²	85	86.6 Å²	86.6	37%	0.37	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-65	138.4	174.1	-56.2	-51.5	-170.9	168	0	108.8	S19 I30 Y42	S19-K21 PolarHBondContact O-N 3.39Å; K21-I30 HydrophobicContact CB-CD1 4.36Å; K21-I30 PolarHBondContact O-N 3.5Å; K21-Y42 HydrophobicContact CB-CD1 4.35Å; K21-Y42 HydrophobicContact CB-CD2 3.84Å; K21-Y42 HydrophobicContact CB-CE2 4.35Å; K21-Y42 HydrophobicContact CB-CG 3.82Å; K21-Y42 HydrophobicContact CD-CD2 3.86Å; K21-Y42 HydrophobicContact CD-CE1 4.37Å; K21-Y42 HydrophobicContact CD-CE2 3.47Å; K21-Y42 VanDerWaalsContact CD-CE2 3.47Å; K21-Y42 HydrophobicContact CD-CG 4.44Å; K21-Y42 WeakPolarHBondContact CE-OH 3.47Å; K21-Y42 HydrophobicContact CG-CD1 4.21Å; K21-Y42 HydrophobicContact CG-CD2 3.97Å; K21-Y42 HydrophobicContact CG-CE1 4.2Å; K21-Y42 HydrophobicContact CG-CE2 3.98Å; K21-Y42 HydrophobicContact CG-CG 4.07Å; K21-Y42 PolarHBondContact NZ-OH 3.44Å
22	R	96.7	Very high	79.9	Confident	159 Å²	159	83.6 Å²	83.6	60%	0.6	53%	0.533	S	S	*	.	B	Isolated β-bridge	trans	-98.6	137.8	177.8	-69.9	-176.4	173	-86.7	5.3	109.6	G27 G28	R22-G27 PolarHBondContact NH1-O 3.1Å; R22-G27 VanDerWaalsContact NH1-O 3.1Å; R22-G28 WeakPolarHBondContact CA-O 3.26Å
23	C	97.3	Very high	82.1	Confident	2 Å²	2	89.9 Å²	89.9	1%	0.014	54%	0.537	C	S	.	.	B	Isolated β-bridge	trans	-75.2	126.7	176	177	0	0	0	0	110.2	G25 G27 G28 I30 Y42 H44 C47	C23-G25 PolarHBondContact O-N 2.87Å; C23-G25 PolarHBondContact SG-N 3.2Å; C23-G27 WeakPolarHBondContact O-CA 3.35Å; C23-G27 PolarHBondContact O-N 3.39Å; C23-G28 PolarHBondContact N-O 2.91Å; C23-I30 HydrophobicContact CB-CD1 4.1Å; C23-I30 HydrophobicContact CB-CG1 3.91Å; C23-Y42 CarbonylContact C-O 3.6Å; C23-Y42 VanDerWaalsContact CA-O 3.28Å; C23-Y42 WeakPolarHBondContact CA-O 3.16Å; C23-H44 WeakPolarHBondContact CB-ND1 3.41Å; C23-C47 WeakPolarHBondContact SG-CB 3.06Å
24	A	96.1	Very high	83.8	Confident	56 Å²	56	90.8 Å²	90.8	46%	0.463	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.2	175.5	0	0	0	0	0	113.4	Y42 W43	A24-Y42 PolarHBondContact N-O 2.86Å; A24-W43 HydrophobicContact CB-CD2 4.16Å; A24-W43 HydrophobicContact CB-CE3 4.33Å; A24-W43 HydrophobicContact CB-CH2 3.77Å; A24-W43 HydrophobicContact CB-CZ2 3.58Å; A24-W43 HydrophobicContact CB-CZ3 4.16Å
25	G	95.2	Very high	86.1	Confident	47 Å²	47	91.4 Å²	91.4	49%	0.485	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-37.5	179.5	0	0	0	0	0	114.9	C23	C23-G25 PolarHBondContact O-N 2.87Å; C23-G25 PolarHBondContact SG-N 3.2Å
26	C	97	Very high	88	Confident	73 Å²	73	87 Å²	87	49%	0.493	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-6.6	-177.1	70.7	0	0	0	0	115	G28 H44	C26-G28 PolarHBondContact O-N 3.39Å; C26-G28 PolarHBondContact SG-N 3.05Å; C26-H44 VanDerWaalsContact SG-CE1 3.55Å; C26-H44 PolarHBondContact SG-ND1 3.46Å; C26-H44 VanDerWaalsContact SG-ND1 3.41Å
27	G	96	Very high	90.3	Very high	41 Å²	41	90.5 Å²	90.5	42%	0.423	48%	0.484	S	S	.	.			trans	72.1	-12.3	-175	0	0	0	0	0	115.2	R22 C23	R22-G27 PolarHBondContact NH1-O 3.1Å; R22-G27 VanDerWaalsContact NH1-O 3.1Å; C23-G27 WeakPolarHBondContact O-CA 3.35Å; C23-G27 PolarHBondContact O-N 3.39Å
28	G	96.7	Very high	91.9	Very high	28 Å²	28	86.9 Å²	86.9	29%	0.289	46%	0.457	S	S	.	.			trans	-68.8	159.5	-179.7	0	0	0	0	0	113.5	R22 C23 C26	R22-G28 WeakPolarHBondContact CA-O 3.26Å; C23-G28 PolarHBondContact N-O 2.91Å; C26-G28 PolarHBondContact O-N 3.39Å; C26-G28 PolarHBondContact SG-N 3.05Å
29	K	96.7	Very high	93.2	Very high	106 Å²	106	82.6 Å²	82.6	46%	0.461	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-70.2	140.6	172.6	-66.5	168.9	169.8	-177	0	109.9	W20 A31 H44	W20-K29 HydrophobicContact CB-CB 4.13Å; W20-K29 HydrophobicContact CB-CD 4.32Å; W20-K29 HydrophobicContact CB-CG 4.07Å; W20-K29 HydrophobicContact CD2-CD 4.06Å; W20-K29 HydrophobicContact CE3-CD 3.39Å; W20-K29 HydrophobicContact CE3-CG 4.37Å; W20-K29 VanDerWaalsContact CE3-NZ 3.33Å; W20-K29 HydrophobicContact CG-CB 4.48Å; W20-K29 HydrophobicContact CZ3-CD 3.89Å; W20-K29 VanDerWaalsContact CZ3-NZ 3.34Å; K29-A31 PolarHBondContact O-N 3.35Å; K29-H44 PolarHBondContact O-NE2 2.99Å
30	I	96.5	Very high	93.9	Very high	10 Å²	10	85 Å²	85	5%	0.051	44%	0.44	C	S	.	.			trans	-91.5	101.6	175.2	-54.7	170	0	0	0	108.2	K21 C23 D32 L35	K21-I30 HydrophobicContact CB-CD1 4.36Å; K21-I30 PolarHBondContact O-N 3.5Å; C23-I30 HydrophobicContact CB-CD1 4.1Å; C23-I30 HydrophobicContact CB-CG1 3.91Å; I30-D32 HydrophobicContact CG2-CB 4.29Å; I30-L35 HydrophobicContact CG2-CB 3.77Å
31	A	94.3	Very high	94.4	Very high	82 Å²	82	79.6 Å²	79.6	68%	0.678	43%	0.425	S	S	*	.			trans	-100.7	-2.8	173	0	0	0	0	0	112.4	K29	K29-A31 PolarHBondContact O-N 3.35Å
32	D	91.4	Very high	94.5	Very high	58 Å²	58	79.1 Å²	79.1	31%	0.31	42%	0.422	S	S	.	.	S	Bend	trans	-63.1	147.5	179.1	-60.4	13.8	0	0	0	110.2	I30 F34 H44 R46	I30-D32 HydrophobicContact CG2-CB 4.29Å; D32-F34 WeakPolarHBondContact CB-O 3.5Å; D32-F34 PolarHBondContact O-N 2.82Å; D32-H44 IonicContact OD1-CD2 2.77Å; D32-H44 IonicContact OD1-NE2 2.74Å; D32-H44 IonicContact OD2-CD2 3.4Å; D32-H44 PolarHBondContact OD2-CD2 3.3Å; D32-H44 VanDerWaalsContact OD2-CD2 3.32Å; D32-R46 IonicContact OD1-NH1 2.8Å; D32-R46 IonicContact OD2-NH1 3.19Å; D32-R46 PolarHBondContact OD2-NH1 2.86Å
33	R	91.8	Very high	94.5	Very high	226 Å²	226	72.6 Å²	72.6	85%	0.853	40%	0.397	S	S	*	.	S	Bend	trans	-59	-34.4	178.2	-179.8	176.1	179.2	171.6	0.9	112.5
34	F	91.3	Very high	94.4	Very high	157 Å²	157	72.7 Å²	72.7	69%	0.689	40%	0.398	S	S	*	.	S	Bend	trans	-122.2	142.7	179.2	-56.6	-69.9	0	0	0	109.7	D32	D32-F34 WeakPolarHBondContact CB-O 3.5Å; D32-F34 PolarHBondContact O-N 2.82Å
35	L	93.4	Very high	94.3	Very high	78 Å²	78	72 Å²	72	41%	0.408	39%	0.389	S	S	.	.			trans	-137.5	152.1	179.8	68	99.8	0	0	0	109.6	I30 Y42	I30-L35 HydrophobicContact CG2-CB 3.77Å; L35-Y42 HydrophobicContact CD1-CD1 3.42Å; L35-Y42 VanDerWaalsContact CD1-CD1 3.42Å; L35-Y42 HydrophobicContact CD1-CE1 4.01Å; L35-Y42 HydrophobicContact CD1-CG 4.4Å
36	L	94.5	Very high	94.3	Very high	49 Å²	49	76.2 Å²	76.2	26%	0.257	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.7	178.6	-55.6	176.4	0	0	0	109.5	Y42 W43 L48	L36-Y42 CarbonylContact O-C 3.57Å; L36-Y42 WeakPolarHBondContact O-CA 3.44Å; L36-W43 HydrophobicContact CB-CB 4.28Å; L36-W43 PolarHBondContact N-O 3Å; L36-W43 PolarHBondContact O-N 3.29Å; L36-L48 HydrophobicContact CB-CD2 4.46Å; L36-L48 HydrophobicContact CD1-CB 4.1Å; L36-L48 HydrophobicContact CD1-CD2 3.73Å
37	Y	94	Very high	94.3	Very high	134 Å²	134	74 Å²	74	53%	0.525	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.6	172.4	-176	-107.1	0	0	0	109.3	D40 S41 Y42	Y37-D40 WeakPolarHBondContact OH-CA 3.41Å; Y37-D40 PolarHBondContact OH-OD1 2.76Å; Y37-S41 WeakPolarHBondContact CA-O 3.44Å; Y37-S41 WeakPolarHBondContact CD2-O 3.27Å; Y37-Y42 AromaticContact CD2-CD1 3.62Å; Y37-Y42 HydrophobicContact CD2-CD1 3.62Å; Y37-Y42 AromaticContact CD2-CE1 3.52Å; Y37-Y42 HydrophobicContact CD2-CE1 3.52Å; Y37-Y42 HydrophobicContact CD2-CE2 4.48Å; Y37-Y42 HydrophobicContact CD2-CG 4.21Å; Y37-Y42 AromaticContact CD2-CZ 3.99Å; Y37-Y42 HydrophobicContact CE2-CD1 4.44Å; Y37-Y42 HydrophobicContact CE2-CE1 4.11Å; Y37-Y42 HydrophobicContact CE2-CE2 4.41Å; Y37-Y42 HydrophobicContact CG-CD1 4.42Å; Y37-Y42 HydrophobicContact CG-CE1 4.28Å
38	T	91.6	Very high	94.3	Very high	37 Å²	37	72.4 Å²	72.4	23%	0.227	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	151.8	178.6	-177.8	0	0	0	0	109.5	D40 S41 W43 L48 C64	T38-D40 PolarHBondContact O-N 3.36Å; T38-S41 PolarHBondContact N-O 3.48Å; T38-S41 VanDerWaalsContact N-O 3.09Å; T38-S41 PolarHBondContact O-N 2.92Å; T38-W43 PolarHBondContact O-NE1 3.46Å; T38-L48 HydrophobicContact CG2-CD1 3.71Å; T38-L48 HydrophobicContact CG2-CD2 3.7Å; T38-L48 HydrophobicContact CG2-CG 4.38Å; T38-C64 PolarHBondContact OG1-SG 3.07Å; T38-C64 VanDerWaalsContact OG1-SG 3.41Å
39	M	90.7	Very high	94.3	Very high	64 Å²	64	75 Å²	75	32%	0.315	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	44.7	-176.8	-54.4	165.9	-79.5	0	0	112	S41 W43 L48 T66 I71	M39-S41 PolarHBondContact O-N 3.45Å; M39-S41 PolarHBondContact O-OG 3.09Å; M39-W43 HydrophobicContact CE-CH2 4.43Å; M39-W43 HydrophobicContact CE-CZ2 3.67Å; M39-L48 HydrophobicContact CE-CD1 3.8Å; M39-T66 HydrophobicContact CG-CG2 3.95Å; M39-T66 HydrophobicContact SD-CG2 3.13Å; M39-T66 WeakPolarHBondContact SD-CG2 3.31Å; M39-I71 HydrophobicContact CE-CD1 3.67Å; M39-I71 HydrophobicContact CE-CG1 3.93Å; M39-I71 HydrophobicContact CE-CG2 4.01Å; M39-I71 HydrophobicContact SD-CD1 4.21Å; M39-I71 HydrophobicContact SD-CG1 3.93Å; M39-I71 HydrophobicContact SD-CG2 4.46Å
40	D	92.1	Very high	94.4	Very high	138 Å²	138	69.9 Å²	69.9	74%	0.738	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	26.8	-178.3	-57.9	-49	0	0	0	115.1	Y37 T38	Y37-D40 WeakPolarHBondContact OH-CA 3.41Å; Y37-D40 PolarHBondContact OH-OD1 2.76Å; T38-D40 PolarHBondContact O-N 3.36Å
41	S	94.6	Very high	94.4	Very high	41 Å²	41	72.1 Å²	72.1	29%	0.287	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154	-174.4	-70.5	0	0	0	0	111.6	Y37 T38 M39 W43	Y37-S41 WeakPolarHBondContact CA-O 3.44Å; Y37-S41 WeakPolarHBondContact CD2-O 3.27Å; T38-S41 PolarHBondContact N-O 3.48Å; T38-S41 VanDerWaalsContact N-O 3.09Å; T38-S41 PolarHBondContact O-N 2.92Å; M39-S41 PolarHBondContact O-N 3.45Å; M39-S41 PolarHBondContact O-OG 3.09Å; S41-W43 PolarHBondContact O-NE1 3.12Å
42	Y	96.2	Very high	94.5	Very high	75 Å²	75	70.7 Å²	70.7	29%	0.294	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	145.6	176	-59.6	-77.4	0	0	0	111.4	K21 C23 A24 L35 L36 Y37	K21-Y42 HydrophobicContact CB-CD1 4.35Å; K21-Y42 HydrophobicContact CB-CD2 3.84Å; K21-Y42 HydrophobicContact CB-CE2 4.35Å; K21-Y42 HydrophobicContact CB-CG 3.82Å; K21-Y42 HydrophobicContact CD-CD2 3.86Å; K21-Y42 HydrophobicContact CD-CE1 4.37Å; K21-Y42 HydrophobicContact CD-CE2 3.47Å; K21-Y42 VanDerWaalsContact CD-CE2 3.47Å; K21-Y42 HydrophobicContact CD-CG 4.44Å; K21-Y42 WeakPolarHBondContact CE-OH 3.47Å; K21-Y42 HydrophobicContact CG-CD1 4.21Å; K21-Y42 HydrophobicContact CG-CD2 3.97Å; K21-Y42 HydrophobicContact CG-CE1 4.2Å; K21-Y42 HydrophobicContact CG-CE2 3.98Å; K21-Y42 HydrophobicContact CG-CG 4.07Å; K21-Y42 PolarHBondContact NZ-OH 3.44Å; C23-Y42 CarbonylContact C-O 3.6Å; C23-Y42 VanDerWaalsContact CA-O 3.28Å; C23-Y42 WeakPolarHBondContact CA-O 3.16Å; A24-Y42 PolarHBondContact N-O 2.86Å; L35-Y42 HydrophobicContact CD1-CD1 3.42Å; L35-Y42 VanDerWaalsContact CD1-CD1 3.42Å; L35-Y42 HydrophobicContact CD1-CE1 4.01Å; L35-Y42 HydrophobicContact CD1-CG 4.4Å; L36-Y42 CarbonylContact O-C 3.57Å; L36-Y42 WeakPolarHBondContact O-CA 3.44Å; Y37-Y42 AromaticContact CD2-CD1 3.62Å; Y37-Y42 HydrophobicContact CD2-CD1 3.62Å; Y37-Y42 AromaticContact CD2-CE1 3.52Å; Y37-Y42 HydrophobicContact CD2-CE1 3.52Å; Y37-Y42 HydrophobicContact CD2-CE2 4.48Å; Y37-Y42 HydrophobicContact CD2-CG 4.21Å; Y37-Y42 AromaticContact CD2-CZ 3.99Å; Y37-Y42 HydrophobicContact CE2-CD1 4.44Å; Y37-Y42 HydrophobicContact CE2-CE1 4.11Å; Y37-Y42 HydrophobicContact CE2-CE2 4.41Å; Y37-Y42 HydrophobicContact CG-CD1 4.42Å; Y37-Y42 HydrophobicContact CG-CE1 4.28Å
43	W	96.8	Very high	94.8	Very high	22 Å²	22	71 Å²	71	8%	0.083	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.1	-175.6	-53.4	78.3	0	0	0	112	A24 L36 T38 M39 S41 L48 I71	A24-W43 HydrophobicContact CB-CD2 4.16Å; A24-W43 HydrophobicContact CB-CE3 4.33Å; A24-W43 HydrophobicContact CB-CH2 3.77Å; A24-W43 HydrophobicContact CB-CZ2 3.58Å; A24-W43 HydrophobicContact CB-CZ3 4.16Å; L36-W43 HydrophobicContact CB-CB 4.28Å; L36-W43 PolarHBondContact N-O 3Å; L36-W43 PolarHBondContact O-N 3.29Å; T38-W43 PolarHBondContact O-NE1 3.46Å; M39-W43 HydrophobicContact CE-CH2 4.43Å; M39-W43 HydrophobicContact CE-CZ2 3.67Å; S41-W43 PolarHBondContact O-NE1 3.12Å; W43-L48 HydrophobicContact CB-CB 4Å; W43-L48 HydrophobicContact CD2-CB 4.33Å; W43-L48 HydrophobicContact CD2-CD1 3.73Å; W43-L48 HydrophobicContact CE3-CB 4.27Å; W43-L48 HydrophobicContact CE3-CD1 3.96Å; W43-L48 HydrophobicContact CG-CB 4.23Å; W43-L48 HydrophobicContact CG-CD1 4.05Å; W43-L48 HydrophobicContact CZ2-CD1 4.4Å; W43-L48 HydrophobicContact CZ3-CD1 4.4Å; W43-I71 HydrophobicContact CH2-CD1 3.49Å; W43-I71 VanDerWaalsContact CH2-CD1 3.49Å; W43-I71 HydrophobicContact CZ2-CD1 4.03Å; W43-I71 HydrophobicContact CZ3-CD1 4.09Å
44	H	96.3	Very high	95	Very high	5 Å²	5	65 Å²	65	2%	0.023	33%	0.327	C	S	.	.			trans	-66.9	148.5	156.6	-59	113.1	0	0	0	109.3	C23 C26 K29 D32 R46 C47 L48	C23-H44 WeakPolarHBondContact CB-ND1 3.41Å; C26-H44 VanDerWaalsContact SG-CE1 3.55Å; C26-H44 PolarHBondContact SG-ND1 3.46Å; C26-H44 VanDerWaalsContact SG-ND1 3.41Å; K29-H44 PolarHBondContact O-NE2 2.99Å; D32-H44 IonicContact OD1-CD2 2.77Å; D32-H44 IonicContact OD1-NE2 2.74Å; D32-H44 IonicContact OD2-CD2 3.4Å; D32-H44 PolarHBondContact OD2-CD2 3.3Å; D32-H44 VanDerWaalsContact OD2-CD2 3.32Å; H44-R46 VanDerWaalsContact C-N 3.26Å; H44-R46 HydrophobicContact CB-CG 3.99Å; H44-R46 PolarHBondContact O-N 3.07Å; H44-C47 HydrophobicContact CB-CB 4.02Å; H44-C47 PolarHBondContact O-N 3.48Å; H44-L48 PolarHBondContact O-N 2.89Å
45	S	93.8	Very high	95.3	Very high	41 Å²	41	58.9 Å²	58.9	29%	0.287	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-52.4	-46.6	175.5	-167.6	0	0	0	0	111.8	C47 L48 Q56	S45-C47 VanDerWaalsContact C-N 3.26Å; S45-C47 PolarHBondContact O-N 2.76Å; S45-L48 PolarHBondContact O-N 3.34Å; S45-Q56 PolarHBondContact O-OE1 3.07Å
46	R	94.8	Very high	95.4	Very high	135 Å²	135	57.8 Å²	57.8	51%	0.509	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.7	-19.3	177.8	66.1	-178.9	177.6	-85.6	-1.9	115.5	D32 H44 K49 Q56	D32-R46 IonicContact OD1-NH1 2.8Å; D32-R46 IonicContact OD2-NH1 3.19Å; D32-R46 PolarHBondContact OD2-NH1 2.86Å; H44-R46 VanDerWaalsContact C-N 3.26Å; H44-R46 HydrophobicContact CB-CG 3.99Å; H44-R46 PolarHBondContact O-N 3.07Å; R46-K49 VanDerWaalsContact O-CD 3.28Å; R46-K49 WeakPolarHBondContact O-CD 3.29Å; R46-K49 WeakPolarHBondContact O-CE 3.17Å; R46-K49 WeakPolarHBondContact O-CG 3.44Å; R46-Q56 VanDerWaalsContact CA-OE1 3.29Å
47	C	96.7	Very high	95.4	Very high	27 Å²	27	55.7 Å²	55.7	18%	0.182	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-93.8	-26	-176.4	-71.1	0	0	0	0	112.4	C23 H44 S45 K49	C23-C47 WeakPolarHBondContact SG-CB 3.06Å; H44-C47 HydrophobicContact CB-CB 4.02Å; H44-C47 PolarHBondContact O-N 3.48Å; S45-C47 VanDerWaalsContact C-N 3.26Å; S45-C47 PolarHBondContact O-N 2.76Å; C47-K49 PolarHBondContact O-N 3.39Å; C47-K49 VanDerWaalsContact O-N 3.13Å
48	L	96.6	Very high	95.3	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	28%	0.279	C	S	.	.	S	Bend	trans	-82.3	88.8	175.1	-172.9	71.5	0	0	0	109.7	L36 T38 M39 W43 H44 S45 L57 I71	L36-L48 HydrophobicContact CB-CD2 4.46Å; L36-L48 HydrophobicContact CD1-CB 4.1Å; L36-L48 HydrophobicContact CD1-CD2 3.73Å; T38-L48 HydrophobicContact CG2-CD1 3.71Å; T38-L48 HydrophobicContact CG2-CD2 3.7Å; T38-L48 HydrophobicContact CG2-CG 4.38Å; M39-L48 HydrophobicContact CE-CD1 3.8Å; W43-L48 HydrophobicContact CB-CB 4Å; W43-L48 HydrophobicContact CD2-CB 4.33Å; W43-L48 HydrophobicContact CD2-CD1 3.73Å; W43-L48 HydrophobicContact CE3-CB 4.27Å; W43-L48 HydrophobicContact CE3-CD1 3.96Å; W43-L48 HydrophobicContact CG-CB 4.23Å; W43-L48 HydrophobicContact CG-CD1 4.05Å; W43-L48 HydrophobicContact CZ2-CD1 4.4Å; W43-L48 HydrophobicContact CZ3-CD1 4.4Å; H44-L48 PolarHBondContact O-N 2.89Å; S45-L48 PolarHBondContact O-N 3.34Å; L48-L57 HydrophobicContact CD2-CB 4.13Å; L48-L57 HydrophobicContact CG-CB 4.06Å; L48-L57 HydrophobicContact CG-CD1 4.27Å; L48-L57 PolarHBondContact O-N 2.82Å; L48-I71 HydrophobicContact CD1-CG2 4.29Å
49	K	97.1	Very high	95.2	Very high	81 Å²	81	55.3 Å²	55.3	35%	0.352	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-122.1	150.9	-175.2	-64.5	-176.2	-70.4	150.7	0	112.4	R46 C47 S51 Q54 A55 Q56	R46-K49 VanDerWaalsContact O-CD 3.28Å; R46-K49 WeakPolarHBondContact O-CD 3.29Å; R46-K49 WeakPolarHBondContact O-CE 3.17Å; R46-K49 WeakPolarHBondContact O-CG 3.44Å; C47-K49 PolarHBondContact O-N 3.39Å; C47-K49 VanDerWaalsContact O-N 3.13Å; K49-S51 PolarHBondContact O-N 3.48Å; K49-Q54 WeakPolarHBondContact CD-O 3.31Å; K49-A55 CarbonylContact C-O 3.56Å; K49-A55 VanDerWaalsContact CA-O 3.28Å; K49-A55 WeakPolarHBondContact CA-O 3.47Å; K49-Q56 HydrophobicContact CG-CG 4.36Å
50	C	97.4	Very high	95.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.			trans	-61.7	127.8	169.1	-175.3	0	0	0	0	110	C52 C53 Q54 A55 L57 I71 C73 D76	C50-C52 PolarHBondContact O-N 3.34Å; C50-C52 PolarHBondContact SG-N 3.24Å; C50-C53 WeakPolarHBondContact CB-SG 3.29Å; C50-C53 VanDerWaalsContact SG-SG 3.67Å; C50-Q54 WeakPolarHBondContact O-CA 3.32Å; C50-Q54 PolarHBondContact O-N 2.79Å; C50-Q54 PolarHBondContact O-NE2 3.15Å; C50-A55 PolarHBondContact N-O 3.5Å; C50-L57 HydrophobicContact CB-CD2 3.98Å; C50-I71 CarbonylContact C-O 3.57Å; C50-I71 WeakPolarHBondContact CA-O 3.48Å; C50-C73 HydrophobicContact CB-CB 4.25Å; C50-C73 PolarHBondContact SG-N 2.85Å; C50-D76 PolarHBondContact SG-OD2 2.8Å
51	S	97.3	Very high	94.8	Very high	56 Å²	56	52.4 Å²	52.4	39%	0.392	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.1	176.4	-56.4	0	0	0	0	112.7	K49 Q54 I71	K49-S51 PolarHBondContact O-N 3.48Å; S51-Q54 PolarHBondContact O-NE2 3.01Å; S51-I71 PolarHBondContact N-O 2.88Å; S51-I71 PolarHBondContact OG-N 2.89Å; S51-I71 PolarHBondContact OG-O 3.1Å
52	C	96.6	Very high	94.4	Very high	52 Å²	52	57.8 Å²	57.8	35%	0.351	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-63.1	-179.4	-63.7	0	0	0	0	113	C50 L72 D76 L80	C50-C52 PolarHBondContact O-N 3.34Å; C50-C52 PolarHBondContact SG-N 3.24Å; C52-L72 HydrophobicContact CB-CD2 4.28Å; C52-L72 WeakPolarHBondContact SG-CD2 3.27Å; C52-D76 HydrophobicContact CB-CB 4.03Å; C52-D76 WeakPolarHBondContact CB-OD2 3.43Å; C52-L80 VanDerWaalsContact SG-CD1 3.53Å
53	C	96.6	Very high	94.1	Very high	66 Å²	66	57.6 Å²	57.6	45%	0.446	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.6	-173.7	71.1	0	0	0	0	114.8	C50 A55 D76	C50-C53 WeakPolarHBondContact CB-SG 3.29Å; C50-C53 VanDerWaalsContact SG-SG 3.67Å; C53-A55 PolarHBondContact O-N 2.9Å; C53-A55 VanDerWaalsContact SG-CB 3.51Å; C53-D76 WeakPolarHBondContact CB-OD2 3.22Å; C53-D76 PolarHBondContact N-OD2 2.74Å; C53-D76 PolarHBondContact SG-OD2 2.84Å
54	Q	96.9	Very high	93.9	Very high	98 Å²	98	57.9 Å²	57.9	46%	0.458	34%	0.336	S	S	.	.			trans	61.3	5	-177.4	-58.2	-61.3	-48.7	0	0	115.9	K49 C50 S51 Q56	K49-Q54 WeakPolarHBondContact CD-O 3.31Å; C50-Q54 WeakPolarHBondContact O-CA 3.32Å; C50-Q54 PolarHBondContact O-N 2.79Å; C50-Q54 PolarHBondContact O-NE2 3.15Å; S51-Q54 PolarHBondContact O-NE2 3.01Å; Q54-Q56 PolarHBondContact O-N 3.05Å
55	A	96.4	Very high	93.9	Very high	29 Å²	29	60.8 Å²	60.8	24%	0.24	35%	0.347	C	S	.	.			trans	-59	138.6	175.9	0	0	0	0	0	111.4	K49 C50 C53 L57 I60	K49-A55 CarbonylContact C-O 3.56Å; K49-A55 VanDerWaalsContact CA-O 3.28Å; K49-A55 WeakPolarHBondContact CA-O 3.47Å; C50-A55 PolarHBondContact N-O 3.5Å; C53-A55 PolarHBondContact O-N 2.9Å; C53-A55 VanDerWaalsContact SG-CB 3.51Å; A55-L57 PolarHBondContact O-N 2.91Å; A55-I60 HydrophobicContact CB-CD1 3.92Å; A55-I60 HydrophobicContact CB-CG2 4.35Å
56	Q	95.9	Very high	94	Very high	56 Å²	56	63.1 Å²	63.1	26%	0.262	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-70.9	111.2	175.6	-66.2	-173.5	69.4	0	0	109.4	S45 R46 K49 Q54 G58 E59 I60	S45-Q56 PolarHBondContact O-OE1 3.07Å; R46-Q56 VanDerWaalsContact CA-OE1 3.29Å; K49-Q56 HydrophobicContact CG-CG 4.36Å; Q54-Q56 PolarHBondContact O-N 3.05Å; Q56-G58 VanDerWaalsContact C-N 3.26Å; Q56-G58 PolarHBondContact O-N 3.15Å; Q56-E59 HydrophobicContact CB-CB 4.31Å; Q56-E59 HydrophobicContact CB-CG 4.05Å; Q56-E59 VanDerWaalsContact CD-OE1 3.25Å; Q56-E59 PolarHBondContact NE2-OE1 3.22Å; Q56-E59 PolarHBondContact NE2-OE2 3.2Å; Q56-E59 PolarHBondContact O-N 3.12Å; Q56-E59 VanDerWaalsContact O-N 3.09Å; Q56-E59 PolarHBondContact OE1-OE1 3.23Å; Q56-I60 PolarHBondContact O-N 3.18Å
57	L	95.8	Very high	94	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-69.3	-27.5	-169.4	-62.4	173.3	0	0	0	112.4	L48 C50 A55 E59 I60 G61 C64 I71 C73	L48-L57 HydrophobicContact CD2-CB 4.13Å; L48-L57 HydrophobicContact CG-CB 4.06Å; L48-L57 HydrophobicContact CG-CD1 4.27Å; L48-L57 PolarHBondContact O-N 2.82Å; C50-L57 HydrophobicContact CB-CD2 3.98Å; A55-L57 PolarHBondContact O-N 2.91Å; L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 PolarHBondContact O-N 3.17Å; L57-I60 HydrophobicContact CD2-CD1 3.86Å; L57-I60 HydrophobicContact CD2-CG1 4.44Å; L57-G61 PolarHBondContact O-N 3.1Å; L57-C64 HydrophobicContact CB-CB 4.45Å; L57-C64 HydrophobicContact CD1-CB 3.69Å; L57-I71 HydrophobicContact CD1-CB 4.49Å; L57-I71 HydrophobicContact CD1-CG2 3.41Å; L57-I71 VanDerWaalsContact CD1-CG2 3.41Å; L57-C73 HydrophobicContact CD2-CB 3.71Å
58	G	91	Very high	93.9	Very high	34 Å²	34	64 Å²	64	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-71.6	-16.8	174.4	0	0	0	0	0	114.6	Q56	Q56-G58 VanDerWaalsContact C-N 3.26Å; Q56-G58 PolarHBondContact O-N 3.15Å
59	E	90.6	Very high	93.7	Very high	130 Å²	130	67.8 Å²	67.8	61%	0.607	42%	0.418	S	S	*	.	H	α-helix	trans	-94.3	-38.2	178.3	-65.5	177.9	-178.6	0	0	111.8	Q56 L57	Q56-E59 HydrophobicContact CB-CB 4.31Å; Q56-E59 HydrophobicContact CB-CG 4.05Å; Q56-E59 VanDerWaalsContact CD-OE1 3.25Å; Q56-E59 PolarHBondContact NE2-OE1 3.22Å; Q56-E59 PolarHBondContact NE2-OE2 3.2Å; Q56-E59 PolarHBondContact O-N 3.12Å; Q56-E59 VanDerWaalsContact O-N 3.09Å; Q56-E59 PolarHBondContact OE1-OE1 3.23Å; L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 PolarHBondContact O-N 3.17Å
60	I	89.9	Confident	93.6	Very high	104 Å²	104	66.5 Å²	66.5	53%	0.533	41%	0.413	S	S	.	.	H	α-helix	trans	-86.6	-12.5	-172.8	67.3	172.9	0	0	0	114.1	A55 Q56 L57 C73	A55-I60 HydrophobicContact CB-CD1 3.92Å; A55-I60 HydrophobicContact CB-CG2 4.35Å; Q56-I60 PolarHBondContact O-N 3.18Å; L57-I60 HydrophobicContact CD2-CD1 3.86Å; L57-I60 HydrophobicContact CD2-CG1 4.44Å; I60-C73 HydrophobicContact CD1-CB 3.73Å
61	G	84.5	Confident	93.5	Very high	36 Å²	36	67.8 Å²	67.8	37%	0.371	42%	0.42	S	S	.	.			trans	-178.4	176.9	-178.5	0	0	0	0	0	113.8	L57	L57-G61 PolarHBondContact O-N 3.1Å
62	T	85.2	Confident	93.5	Very high	154 Å²	154	65.1 Å²	65.1	95%	0.945	40%	0.402	S	S	*	.	S	Bend	trans	-94.9	-2.6	-179.1	55	0	0	0	0	113.5
63	S	89.3	Confident	93.5	Very high	71 Å²	71	63.1 Å²	63.1	50%	0.497	39%	0.388	S	S	.	.			trans	-140.8	151.7	-176.3	56.2	0	0	0	0	112.2
64	C	94.1	Very high	93.4	Very high	28 Å²	28	68.1 Å²	68.1	19%	0.189	40%	0.398	C	S	.	.			trans	-129.3	157.7	171.7	58.1	0	0	0	0	109.6	T38 L57 I71	T38-C64 PolarHBondContact OG1-SG 3.07Å; T38-C64 VanDerWaalsContact OG1-SG 3.41Å; L57-C64 HydrophobicContact CB-CB 4.45Å; L57-C64 HydrophobicContact CD1-CB 3.69Å; C64-I71 HydrophobicContact CB-CG2 3.99Å
65	Y	95.5	Very high	93.2	Very high	67 Å²	67	68.3 Å²	68.3	26%	0.263	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.9	-178.4	-64.5	-100.9	0	0	0	110	I71 L72 R74 Y77	Y65-I71 CarbonylContact O-C 3.58Å; Y65-I71 WeakPolarHBondContact O-CA 3.33Å; Y65-L72 PolarHBondContact N-O 3.01Å; Y65-L72 PolarHBondContact O-N 3.24Å; Y65-R74 HydrophobicContact CD2-CB 4.44Å; Y65-R74 HydrophobicContact CE2-CB 3.77Å; Y65-R74 HydrophobicContact CE2-CG 4Å; Y65-Y77 VanDerWaalsContact CB-CD2 3.44Å; Y65-Y77 AromaticContact CD1-CD1 3.73Å; Y65-Y77 HydrophobicContact CD1-CD1 3.73Å; Y65-Y77 HydrophobicContact CD1-CD2 4.14Å; Y65-Y77 AromaticContact CD1-CE1 3.98Å; Y65-Y77 HydrophobicContact CD1-CE1 3.98Å; Y65-Y77 HydrophobicContact CD1-CE2 4.35Å; Y65-Y77 AromaticContact CD1-CG 3.83Å; Y65-Y77 HydrophobicContact CD1-CG 3.83Å; Y65-Y77 HydrophobicContact CE1-CD1 4.23Å; Y65-Y77 HydrophobicContact CE1-CE1 4.46Å; Y65-Y77 HydrophobicContact CG-CD1 4.1Å; Y65-Y77 HydrophobicContact CG-CD2 4.02Å; Y65-Y77 AromaticContact CG-CG 3.73Å; Y65-Y77 HydrophobicContact CG-CG 3.73Å
66	T	95.4	Very high	93.2	Very high	89 Å²	89	67.3 Å²	67.3	55%	0.546	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.4	174.4	48.5	0	0	0	0	111.5	M39 M70 I71	M39-T66 HydrophobicContact CG-CG2 3.95Å; M39-T66 HydrophobicContact SD-CG2 3.13Å; M39-T66 WeakPolarHBondContact SD-CG2 3.31Å; T66-M70 VanDerWaalsContact CA-O 3.31Å; T66-M70 WeakPolarHBondContact CA-O 3.38Å; T66-I71 HydrophobicContact CG2-CG1 4.43Å
67	K	95.5	Very high	93.2	Very high	83 Å²	83	67.6 Å²	67.6	36%	0.361	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	138	172.3	-170.1	157.7	175.4	178.7	0	110.2	G69 M70 Y77 F81	K67-G69 PolarHBondContact O-N 3.06Å; K67-M70 PolarHBondContact N-O 2.93Å; K67-M70 WeakPolarHBondContact O-CB 3.46Å; K67-M70 PolarHBondContact O-N 2.93Å; K67-Y77 HydrophobicContact CB-CE2 3.98Å; K67-Y77 HydrophobicContact CD-CE2 3.89Å; K67-F81 HydrophobicContact CB-CD2 4.04Å; K67-F81 HydrophobicContact CB-CE2 3.73Å; K67-F81 HydrophobicContact CB-CZ 4.14Å; K67-F81 HydrophobicContact CD-CB 3.97Å; K67-F81 HydrophobicContact CD-CD1 3.77Å; K67-F81 HydrophobicContact CD-CD2 3.77Å; K67-F81 HydrophobicContact CD-CE1 4.11Å; K67-F81 HydrophobicContact CD-CE2 4.09Å; K67-F81 HydrophobicContact CD-CG 3.58Å; K67-F81 HydrophobicContact CD-CZ 4.25Å; K67-F81 HydrophobicContact CG-CD1 4.29Å; K67-F81 HydrophobicContact CG-CD2 4.13Å; K67-F81 HydrophobicContact CG-CE1 4.12Å; K67-F81 HydrophobicContact CG-CE2 3.92Å; K67-F81 HydrophobicContact CG-CG 4.29Å; K67-F81 HydrophobicContact CG-CZ 3.91Å
68	S	93.9	Very high	93.1	Very high	99 Å²	99	70.1 Å²	70.1	69%	0.692	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.3	-179.7	-51.5	0	0	0	0	113.7	M70	S68-M70 PolarHBondContact O-N 3.32Å
69	G	92.1	Very high	93.2	Very high	87 Å²	87	74.6 Å²	74.6	90%	0.897	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	2.5	-178.8	0	0	0	0	0	115.5	K67	K67-G69 PolarHBondContact O-N 3.06Å
70	M	95.6	Very high	93.3	Very high	53 Å²	53	72 Å²	72	26%	0.261	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	149	177	-62	-176.1	-73.6	0	0	111.5	T66 K67 S68 L72 L80 F81	T66-M70 VanDerWaalsContact CA-O 3.31Å; T66-M70 WeakPolarHBondContact CA-O 3.38Å; K67-M70 PolarHBondContact N-O 2.93Å; K67-M70 WeakPolarHBondContact O-CB 3.46Å; K67-M70 PolarHBondContact O-N 2.93Å; S68-M70 PolarHBondContact O-N 3.32Å; M70-L72 HydrophobicContact CB-CD1 4.43Å; M70-L72 HydrophobicContact CB-CD2 4.07Å; M70-L72 HydrophobicContact CB-CG 4.03Å; M70-L72 HydrophobicContact CE-CD1 4.37Å; M70-L72 HydrophobicContact SD-CD2 4.46Å; M70-L80 HydrophobicContact CE-CD1 4.39Å; M70-F81 HydrophobicContact CE-CE2 3.74Å; M70-F81 HydrophobicContact CE-CZ 3.45Å; M70-F81 VanDerWaalsContact CE-CZ 3.45Å
71	I	96.3	Very high	93.5	Very high	28 Å²	28	69.5 Å²	69.5	14%	0.144	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119	169.1	-53.9	162.6	0	0	0	106.6	M39 W43 L48 C50 S51 L57 C64 Y65 T66	M39-I71 HydrophobicContact CE-CD1 3.67Å; M39-I71 HydrophobicContact CE-CG1 3.93Å; M39-I71 HydrophobicContact CE-CG2 4.01Å; M39-I71 HydrophobicContact SD-CD1 4.21Å; M39-I71 HydrophobicContact SD-CG1 3.93Å; M39-I71 HydrophobicContact SD-CG2 4.46Å; W43-I71 HydrophobicContact CH2-CD1 3.49Å; W43-I71 VanDerWaalsContact CH2-CD1 3.49Å; W43-I71 HydrophobicContact CZ2-CD1 4.03Å; W43-I71 HydrophobicContact CZ3-CD1 4.09Å; L48-I71 HydrophobicContact CD1-CG2 4.29Å; C50-I71 CarbonylContact C-O 3.57Å; C50-I71 WeakPolarHBondContact CA-O 3.48Å; S51-I71 PolarHBondContact N-O 2.88Å; S51-I71 PolarHBondContact OG-N 2.89Å; S51-I71 PolarHBondContact OG-O 3.1Å; L57-I71 HydrophobicContact CD1-CB 4.49Å; L57-I71 HydrophobicContact CD1-CG2 3.41Å; L57-I71 VanDerWaalsContact CD1-CG2 3.41Å; C64-I71 HydrophobicContact CB-CG2 3.99Å; Y65-I71 CarbonylContact O-C 3.58Å; Y65-I71 WeakPolarHBondContact O-CA 3.33Å; T66-I71 HydrophobicContact CG2-CG1 4.43Å
72	L	96.9	Very high	93.8	Very high	0 Å²	0	69 Å²	69	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	-168.7	-62.1	178.1	0	0	0	112.4	C52 Y65 M70 D76 Y77 L80 F81	C52-L72 HydrophobicContact CB-CD2 4.28Å; C52-L72 WeakPolarHBondContact SG-CD2 3.27Å; Y65-L72 PolarHBondContact N-O 3.01Å; Y65-L72 PolarHBondContact O-N 3.24Å; M70-L72 HydrophobicContact CB-CD1 4.43Å; M70-L72 HydrophobicContact CB-CD2 4.07Å; M70-L72 HydrophobicContact CB-CG 4.03Å; M70-L72 HydrophobicContact CE-CD1 4.37Å; M70-L72 HydrophobicContact SD-CD2 4.46Å; L72-D76 HydrophobicContact CD2-CB 4.3Å; L72-Y77 HydrophobicContact CD1-CD2 4.37Å; L72-L80 HydrophobicContact CD1-CD1 4.08Å; L72-F81 HydrophobicContact CD1-CD2 3.92Å; L72-F81 HydrophobicContact CD1-CE2 3.52Å
73	C	96.1	Very high	93.9	Very high	10 Å²	10	69.3 Å²	69.3	7%	0.068	38%	0.377	C	S	.	.			trans	-70.6	161.6	162.8	78.1	0	0	0	0	110	C50 L57 I60 N75 D76 Y77	C50-C73 HydrophobicContact CB-CB 4.25Å; C50-C73 PolarHBondContact SG-N 2.85Å; L57-C73 HydrophobicContact CD2-CB 3.71Å; I60-C73 HydrophobicContact CD1-CB 3.73Å; C73-N75 PolarHBondContact O-N 2.93Å; C73-D76 PolarHBondContact O-N 3.09Å; C73-D76 PolarHBondContact SG-N 2.84Å; C73-D76 PolarHBondContact SG-OD2 3.47Å; C73-Y77 WeakPolarHBondContact O-CB 3.36Å; C73-Y77 PolarHBondContact O-N 2.81Å
74	R	94.1	Very high	93.9	Very high	171 Å²	171	70.1 Å²	70.1	65%	0.645	38%	0.382	S	S	*	.	H	α-helix	trans	-53.4	-43	178.4	-172.2	178.3	-164.2	161.5	4.9	112.4	Y65 Y77 I78	Y65-R74 HydrophobicContact CD2-CB 4.44Å; Y65-R74 HydrophobicContact CE2-CB 3.77Å; Y65-R74 HydrophobicContact CE2-CG 4Å; R74-Y77 PolarHBondContact O-N 2.84Å; R74-I78 HydrophobicContact CG-CD1 3.92Å; R74-I78 VanDerWaalsContact O-CG1 3.31Å; R74-I78 WeakPolarHBondContact O-CG1 3.22Å; R74-I78 PolarHBondContact O-N 2.95Å
75	N	94.1	Very high	93.8	Very high	101 Å²	101	70.4 Å²	70.4	54%	0.54	39%	0.39	S	S	.	.	H	α-helix	trans	-66.1	-48.5	-176.6	-169.8	47.6	0	0	0	111.8	C73 Y77 I78 R79	C73-N75 PolarHBondContact O-N 2.93Å; N75-Y77 VanDerWaalsContact C-N 3.33Å; N75-Y77 PolarHBondContact O-N 3.47Å; N75-I78 PolarHBondContact O-N 3.38Å; N75-R79 VanDerWaalsContact O-CB 3.27Å; N75-R79 WeakPolarHBondContact O-CB 3.39Å; N75-R79 PolarHBondContact O-N 3.43Å
76	D	95.7	Very high	93.9	Very high	9 Å²	9	69.9 Å²	69.9	5%	0.048	40%	0.4	C	S	.	.	H	α-helix	trans	-68.3	-34.3	178.2	-75.3	-46.6	0	0	0	112.3	C50 C52 C53 L72 C73 R79 L80	C50-D76 PolarHBondContact SG-OD2 2.8Å; C52-D76 HydrophobicContact CB-CB 4.03Å; C52-D76 WeakPolarHBondContact CB-OD2 3.43Å; C53-D76 WeakPolarHBondContact CB-OD2 3.22Å; C53-D76 PolarHBondContact N-OD2 2.74Å; C53-D76 PolarHBondContact SG-OD2 2.84Å; L72-D76 HydrophobicContact CD2-CB 4.3Å; C73-D76 PolarHBondContact O-N 3.09Å; C73-D76 PolarHBondContact SG-N 2.84Å; C73-D76 PolarHBondContact SG-OD2 3.47Å; D76-R79 PolarHBondContact O-N 2.86Å; D76-R79 IonicContact OD1-CZ 3.21Å; D76-R79 IonicContact OD1-NE 2.84Å; D76-R79 PolarHBondContact OD1-NE 3.3Å; D76-R79 VanDerWaalsContact OD1-NE 3.16Å; D76-R79 IonicContact OD1-NH2 3.09Å; D76-R79 PolarHBondContact OD1-NH2 2.77Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 WeakPolarHBondContact O-CG 3.28Å; D76-L80 PolarHBondContact O-N 3.16Å
77	Y	96	Very high	94	Very high	62 Å²	62	65.7 Å²	65.7	24%	0.243	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-49.4	172.8	-178.2	-94.3	0	0	0	111.4	Y65 K67 L72 C73 R74 N75 L80 F81 G82	Y65-Y77 VanDerWaalsContact CB-CD2 3.44Å; Y65-Y77 AromaticContact CD1-CD1 3.73Å; Y65-Y77 HydrophobicContact CD1-CD1 3.73Å; Y65-Y77 HydrophobicContact CD1-CD2 4.14Å; Y65-Y77 AromaticContact CD1-CE1 3.98Å; Y65-Y77 HydrophobicContact CD1-CE1 3.98Å; Y65-Y77 HydrophobicContact CD1-CE2 4.35Å; Y65-Y77 AromaticContact CD1-CG 3.83Å; Y65-Y77 HydrophobicContact CD1-CG 3.83Å; Y65-Y77 HydrophobicContact CE1-CD1 4.23Å; Y65-Y77 HydrophobicContact CE1-CE1 4.46Å; Y65-Y77 HydrophobicContact CG-CD1 4.1Å; Y65-Y77 HydrophobicContact CG-CD2 4.02Å; Y65-Y77 AromaticContact CG-CG 3.73Å; Y65-Y77 HydrophobicContact CG-CG 3.73Å; K67-Y77 HydrophobicContact CB-CE2 3.98Å; K67-Y77 HydrophobicContact CD-CE2 3.89Å; L72-Y77 HydrophobicContact CD1-CD2 4.37Å; C73-Y77 WeakPolarHBondContact O-CB 3.36Å; C73-Y77 PolarHBondContact O-N 2.81Å; R74-Y77 PolarHBondContact O-N 2.84Å; N75-Y77 VanDerWaalsContact C-N 3.33Å; N75-Y77 PolarHBondContact O-N 3.47Å; Y77-L80 PolarHBondContact O-N 2.9Å; Y77-F81 AromaticContact CD2-CD2 3.85Å; Y77-F81 HydrophobicContact CD2-CD2 3.85Å; Y77-F81 HydrophobicContact CE2-CB 4.28Å; Y77-F81 HydrophobicContact CE2-CD2 4.04Å; Y77-F81 WeakPolarHBondContact O-CA 3.3Å; Y77-F81 WeakPolarHBondContact O-CB 3.44Å; Y77-F81 PolarHBondContact O-N 3.24Å; Y77-G82 PolarHBondContact O-N 2.99Å
78	I	94.3	Very high	94	Very high	57 Å²	57	64.6 Å²	64.6	29%	0.292	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-44.4	177.1	-68.5	168.7	0	0	0	110.4	R74 N75 L80 G82 A96	R74-I78 HydrophobicContact CG-CD1 3.92Å; R74-I78 VanDerWaalsContact O-CG1 3.31Å; R74-I78 WeakPolarHBondContact O-CG1 3.22Å; R74-I78 PolarHBondContact O-N 2.95Å; N75-I78 PolarHBondContact O-N 3.38Å; I78-L80 VanDerWaalsContact C-N 3.34Å; I78-L80 PolarHBondContact O-N 3.22Å; I78-G82 WeakPolarHBondContact O-CA 3.37Å; I78-G82 PolarHBondContact O-N 2.99Å; I78-A96 HydrophobicContact CG2-CB 4.02Å; I78-A96 VanDerWaalsContact CG2-O 3.31Å; I78-A96 WeakPolarHBondContact CG2-O 3.33Å; I78-A96 WeakPolarHBondContact O-CB 3.33Å
79	R	93.1	Very high	94.1	Very high	127 Å²	127	62.8 Å²	62.8	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-40.2	-179.3	-174.7	175.3	64	84.5	-0.7	113	N75 D76	N75-R79 VanDerWaalsContact O-CB 3.27Å; N75-R79 WeakPolarHBondContact O-CB 3.39Å; N75-R79 PolarHBondContact O-N 3.43Å; D76-R79 PolarHBondContact O-N 2.86Å; D76-R79 IonicContact OD1-CZ 3.21Å; D76-R79 IonicContact OD1-NE 2.84Å; D76-R79 PolarHBondContact OD1-NE 3.3Å; D76-R79 VanDerWaalsContact OD1-NE 3.16Å; D76-R79 IonicContact OD1-NH2 3.09Å; D76-R79 PolarHBondContact OD1-NH2 2.77Å
80	L	92.4	Very high	94.3	Very high	76 Å²	76	61.1 Å²	61.1	40%	0.398	34%	0.342	S	S	.	.	H	α-helix	trans	-89.2	-32.9	-177	-68.3	174.8	0	0	0	113.7	C52 M70 L72 D76 Y77 I78	C52-L80 VanDerWaalsContact SG-CD1 3.53Å; M70-L80 HydrophobicContact CE-CD1 4.39Å; L72-L80 HydrophobicContact CD1-CD1 4.08Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 WeakPolarHBondContact O-CG 3.28Å; D76-L80 PolarHBondContact O-N 3.16Å; Y77-L80 PolarHBondContact O-N 2.9Å; I78-L80 VanDerWaalsContact C-N 3.34Å; I78-L80 PolarHBondContact O-N 3.22Å
81	F	93.7	Very high	94.4	Very high	51 Å²	51	61.2 Å²	61.2	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-132.5	-1.1	-166.4	-58.1	-60.4	0	0	0	114.5	K67 M70 L72 Y77	K67-F81 HydrophobicContact CB-CD2 4.04Å; K67-F81 HydrophobicContact CB-CE2 3.73Å; K67-F81 HydrophobicContact CB-CZ 4.14Å; K67-F81 HydrophobicContact CD-CB 3.97Å; K67-F81 HydrophobicContact CD-CD1 3.77Å; K67-F81 HydrophobicContact CD-CD2 3.77Å; K67-F81 HydrophobicContact CD-CE1 4.11Å; K67-F81 HydrophobicContact CD-CE2 4.09Å; K67-F81 HydrophobicContact CD-CG 3.58Å; K67-F81 HydrophobicContact CD-CZ 4.25Å; K67-F81 HydrophobicContact CG-CD1 4.29Å; K67-F81 HydrophobicContact CG-CD2 4.13Å; K67-F81 HydrophobicContact CG-CE1 4.12Å; K67-F81 HydrophobicContact CG-CE2 3.92Å; K67-F81 HydrophobicContact CG-CG 4.29Å; K67-F81 HydrophobicContact CG-CZ 3.91Å; M70-F81 HydrophobicContact CE-CE2 3.74Å; M70-F81 HydrophobicContact CE-CZ 3.45Å; M70-F81 VanDerWaalsContact CE-CZ 3.45Å; L72-F81 HydrophobicContact CD1-CD2 3.92Å; L72-F81 HydrophobicContact CD1-CE2 3.52Å; Y77-F81 AromaticContact CD2-CD2 3.85Å; Y77-F81 HydrophobicContact CD2-CD2 3.85Å; Y77-F81 HydrophobicContact CE2-CB 4.28Å; Y77-F81 HydrophobicContact CE2-CD2 4.04Å; Y77-F81 WeakPolarHBondContact O-CA 3.3Å; Y77-F81 WeakPolarHBondContact O-CB 3.44Å; Y77-F81 PolarHBondContact O-N 3.24Å
82	G	90.6	Very high	94.4	Very high	27 Å²	27	65.8 Å²	65.8	28%	0.278	38%	0.378	S	S	.	.	S	Bend	trans	-71.8	161	171.3	0	0	0	0	0	111.4	Y77 I78 S84	Y77-G82 PolarHBondContact O-N 2.99Å; I78-G82 WeakPolarHBondContact O-CA 3.37Å; I78-G82 PolarHBondContact O-N 2.99Å; G82-S84 PolarHBondContact O-N 3.35Å; G82-S84 VanDerWaalsContact O-N 3.15Å
83	N	88.3	Confident	94.4	Very high	160 Å²	160	70.1 Å²	70.1	86%	0.856	41%	0.407	S	S	*	.			trans	-74.3	107.8	-179.8	-65.9	32.5	0	0	0	109.7	A96	N83-A96 WeakPolarHBondContact O-CB 3.35Å
84	S	88.2	Confident	94.4	Very high	87 Å²	87	69.8 Å²	69.8	61%	0.608	41%	0.405	S	S	*	.			trans	-76.2	148.3	167.7	54	0	0	0	0	110.7	G82 I94	G82-S84 PolarHBondContact O-N 3.35Å; G82-S84 VanDerWaalsContact O-N 3.15Å; S84-I94 WeakPolarHBondContact CA-O 3.4Å; S84-I94 WeakPolarHBondContact CB-O 3.43Å
85	G	92.1	Very high	94.4	Very high	34 Å²	34	64.5 Å²	64.5	35%	0.351	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-174.5	175.2	0	0	0	0	0	112	S93 I94	G85-S93 CarbonylContact O-C 3.58Å; G85-S93 WeakPolarHBondContact O-CA 3.43Å; G85-I94 PolarHBondContact N-O 3.48Å; G85-I94 VanDerWaalsContact N-O 3.12Å; G85-I94 PolarHBondContact O-N 2.92Å
86	A	96.7	Very high	94.3	Very high	56 Å²	56	61.1 Å²	61.1	46%	0.463	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.7	168.4	0	0	0	0	0	109.2	S88 Q92 V107	A86-S88 PolarHBondContact O-N 3.44Å; A86-Q92 WeakPolarHBondContact CA-O 3.46Å; A86-V107 WeakPolarHBondContact O-CG2 3.24Å
87	C	97.7	Very high	94.1	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.007	40%	0.397	C	S	.	.			trans	-71.4	123.3	-178.6	176.1	0	0	0	0	111	A89 C90 G91 Q92 I94 V107 H109	C87-A89 PolarHBondContact O-N 3.26Å; C87-A89 VanDerWaalsContact O-N 3.1Å; C87-C90 VanDerWaalsContact CB-SG 3.57Å; C87-C90 PolarHBondContact O-N 3.36Å; C87-C90 VanDerWaalsContact SG-SG 3.65Å; C87-G91 VanDerWaalsContact O-CA 3.26Å; C87-G91 WeakPolarHBondContact O-CA 3.43Å; C87-G91 PolarHBondContact O-N 3.2Å; C87-Q92 PolarHBondContact N-O 3.49Å; C87-I94 HydrophobicContact CB-CD1 3.89Å; C87-I94 HydrophobicContact CB-CG1 4Å; C87-V107 CarbonylContact C-O 3.5Å; C87-V107 WeakPolarHBondContact CA-O 3.45Å; C87-H109 VanDerWaalsContact CB-CE1 3.46Å; C87-H109 WeakPolarHBondContact CB-CE1 3.47Å; C87-H109 VanDerWaalsContact CB-ND1 3.33Å; C87-H109 WeakPolarHBondContact CB-ND1 3.36Å; C87-H109 PolarHBondContact SG-ND1 3.45Å
88	S	96.5	Very high	93.9	Very high	60 Å²	60	64.5 Å²	64.5	42%	0.42	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.3	-178.4	-54.2	0	0	0	0	114.3	A86 N106 V107	A86-S88 PolarHBondContact O-N 3.44Å; S88-N106 VanDerWaalsContact OG-CB 3.29Å; S88-N106 WeakPolarHBondContact OG-CB 3.44Å; S88-N106 PolarHBondContact OG-OD1 3.33Å; S88-V107 PolarHBondContact N-O 3.1Å
89	A	96.1	Very high	93.9	Very high	62 Å²	62	68.2 Å²	68.2	51%	0.512	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-36.3	177.4	0	0	0	0	0	114.2	C87 Y108 C112	C87-A89 PolarHBondContact O-N 3.26Å; C87-A89 VanDerWaalsContact O-N 3.1Å; A89-Y108 HydrophobicContact CB-CD1 3.75Å; A89-Y108 HydrophobicContact CB-CE1 4.12Å; A89-C112 HydrophobicContact CB-CB 3.88Å
90	C	96.9	Very high	94	Very high	51 Å²	51	64.2 Å²	64.2	35%	0.345	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.6	-178.2	69.6	0	0	0	0	114.6	C87 Q92 H109	C87-C90 VanDerWaalsContact CB-SG 3.57Å; C87-C90 PolarHBondContact O-N 3.36Å; C87-C90 VanDerWaalsContact SG-SG 3.65Å; C90-Q92 HydrophobicContact CB-CG 4.43Å; C90-Q92 PolarHBondContact O-N 3.33Å; C90-Q92 PolarHBondContact O-NE2 3.32Å; C90-H109 PolarHBondContact SG-CE1 3.3Å; C90-H109 PolarHBondContact SG-ND1 3.28Å
91	G	96.3	Very high	94.2	Very high	55 Å²	55	61.2 Å²	61.2	57%	0.567	40%	0.397	S	S	*	.			trans	70.8	-7.6	-178.6	0	0	0	0	0	115.3	C87	C87-G91 VanDerWaalsContact O-CA 3.26Å; C87-G91 WeakPolarHBondContact O-CA 3.43Å; C87-G91 PolarHBondContact O-N 3.2Å
92	Q	97.6	Very high	94.2	Very high	125 Å²	125	67 Å²	67	58%	0.584	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-74.9	149.4	-176.9	-56.4	-56.2	-57.7	0	0	111.8	A86 C87 C90	A86-Q92 WeakPolarHBondContact CA-O 3.46Å; C87-Q92 PolarHBondContact N-O 3.49Å; C90-Q92 HydrophobicContact CB-CG 4.43Å; C90-Q92 PolarHBondContact O-N 3.33Å; C90-Q92 PolarHBondContact O-NE2 3.32Å
93	S	96.1	Very high	94.4	Very high	90 Å²	90	66 Å²	66	63%	0.629	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.3	176.2	59.9	0	0	0	0	111.3	G85	G85-S93 CarbonylContact O-C 3.58Å; G85-S93 WeakPolarHBondContact O-CA 3.43Å
94	I	96.5	Very high	94.5	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.6	171.2	-52.3	174.3	0	0	0	108.6	S84 G85 C87 E98 V100 V107	S84-I94 WeakPolarHBondContact CA-O 3.4Å; S84-I94 WeakPolarHBondContact CB-O 3.43Å; G85-I94 PolarHBondContact N-O 3.48Å; G85-I94 VanDerWaalsContact N-O 3.12Å; G85-I94 PolarHBondContact O-N 2.92Å; C87-I94 HydrophobicContact CB-CD1 3.89Å; C87-I94 HydrophobicContact CB-CG1 4Å; I94-E98 HydrophobicContact CG2-CB 3.89Å; I94-E98 HydrophobicContact CG2-CG 4.26Å; I94-V100 HydrophobicContact CB-CG1 4.46Å; I94-V100 HydrophobicContact CD1-CG1 3.84Å; I94-V100 HydrophobicContact CG2-CG1 3.51Å; I94-V107 HydrophobicContact CD1-CB 4.2Å; I94-V107 HydrophobicContact CD1-CG2 3.84Å
95	P	93.7	Very high	94.6	Very high	60 Å²	60	63.8 Å²	63.8	39%	0.39	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-56.6	143.1	172.7	-21.9	32.7	0	0	0	111.5	S97 E98	P95-S97 PolarHBondContact O-N 3.01Å; P95-E98 HydrophobicContact CB-CB 4.33Å; P95-E98 VanDerWaalsContact CD-OE2 3.3Å; P95-E98 WeakPolarHBondContact CD-OE2 3.49Å; P95-E98 HydrophobicContact CG-CB 4.47Å; P95-E98 WeakPolarHBondContact O-CB 3.19Å; P95-E98 PolarHBondContact O-N 3.2Å
96	A	92.6	Very high	94.7	Very high	30 Å²	30	64.8 Å²	64.8	25%	0.248	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	179.3	0	0	0	0	0	114	I78 N83	I78-A96 HydrophobicContact CG2-CB 4.02Å; I78-A96 VanDerWaalsContact CG2-O 3.31Å; I78-A96 WeakPolarHBondContact CG2-O 3.33Å; I78-A96 WeakPolarHBondContact O-CB 3.33Å; N83-A96 WeakPolarHBondContact O-CB 3.35Å
97	S	90.3	Very high	94.7	Very high	61 Å²	61	63.3 Å²	63.3	43%	0.427	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.2	175.3	56.9	0	0	0	0	113.9	P95	P95-S97 PolarHBondContact O-N 3.01Å
98	E	93.4	Very high	94.6	Very high	80 Å²	80	63.4 Å²	63.4	37%	0.374	39%	0.385	S	S	.	.	S	Bend	trans	-85.3	140	-177.5	-173.9	170.5	165.5	0	0	111.4	I94 P95 H109	I94-E98 HydrophobicContact CG2-CB 3.89Å; I94-E98 HydrophobicContact CG2-CG 4.26Å; P95-E98 HydrophobicContact CB-CB 4.33Å; P95-E98 VanDerWaalsContact CD-OE2 3.3Å; P95-E98 WeakPolarHBondContact CD-OE2 3.49Å; P95-E98 HydrophobicContact CG-CB 4.47Å; P95-E98 WeakPolarHBondContact O-CB 3.19Å; P95-E98 PolarHBondContact O-N 3.2Å; E98-H109 IonicContact OE1-CD2 3.24Å; E98-H109 PolarHBondContact OE1-CD2 3.49Å; E98-H109 VanDerWaalsContact OE1-CD2 3.24Å; E98-H109 IonicContact OE2-CD2 3.98Å
99	L	93.4	Very high	94.7	Very high	135 Å²	135	61.2 Å²	61.2	71%	0.707	37%	0.368	S	S	*	.			trans	-72.6	139.1	173.8	-69.1	174.7	0	0	0	110.8	L110	L99-L110 HydrophobicContact CB-CD1 4.22Å
100	V	95.3	Very high	94.7	Very high	43 Å²	43	61.4 Å²	61.4	26%	0.261	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.1	-174.1	-61.3	0	0	0	0	112.2	I94 R102 Y108	I94-V100 HydrophobicContact CB-CG1 4.46Å; I94-V100 HydrophobicContact CD1-CG1 3.84Å; I94-V100 HydrophobicContact CG2-CG1 3.51Å; V100-R102 HydrophobicContact CG2-CG 4.35Å; V100-Y108 WeakPolarHBondContact CA-O 3.48Å
101	M	96.2	Very high	94.7	Very high	13 Å²	13	66.2 Å²	66.2	6%	0.064	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	147.8	164.2	-54.7	-55.4	-70.3	0	0	109.7	V107 Y108 L110 F113 P124 V164	M101-V107 CarbonylContact O-C 3.57Å; M101-V107 WeakPolarHBondContact O-CA 3.35Å; M101-Y108 PolarHBondContact N-O 3.39Å; M101-Y108 PolarHBondContact O-N 3.24Å; M101-L110 HydrophobicContact CG-CD2 3.75Å; M101-L110 HydrophobicContact SD-CD2 3.43Å; M101-L110 WeakPolarHBondContact SD-CD2 3.37Å; M101-F113 HydrophobicContact CB-CB 3.79Å; M101-F113 HydrophobicContact CB-CD1 3.85Å; M101-F113 HydrophobicContact CB-CD2 3.46Å; M101-F113 VanDerWaalsContact CB-CD2 3.46Å; M101-F113 HydrophobicContact CB-CE1 4.32Å; M101-F113 HydrophobicContact CB-CE2 3.94Å; M101-F113 HydrophobicContact CB-CG 3.42Å; M101-F113 VanDerWaalsContact CB-CG 3.42Å; M101-F113 HydrophobicContact CB-CZ 4.36Å; M101-F113 HydrophobicContact CE-CD1 3.77Å; M101-F113 HydrophobicContact CE-CE1 3.96Å; M101-F113 HydrophobicContact CE-CG 4.47Å; M101-F113 HydrophobicContact CG-CB 3.51Å; M101-F113 HydrophobicContact CG-CD1 3.79Å; M101-F113 HydrophobicContact CG-CD2 4.14Å; M101-F113 HydrophobicContact CG-CG 3.56Å; M101-P124 HydrophobicContact CE-CG 4.41Å; M101-V164 HydrophobicContact CE-CG1 3.03Å
102	R	94.7	Very high	94.8	Very high	173 Å²	173	64.6 Å²	64.6	65%	0.653	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.4	178.3	-65.2	-176.1	177.4	-102.2	0.5	111.1	V100 N106 V107	V100-R102 HydrophobicContact CG2-CG 4.35Å; R102-N106 VanDerWaalsContact CA-O 3.28Å; R102-N106 WeakPolarHBondContact CA-O 3.31Å; R102-V107 HydrophobicContact CG-CG1 4.23Å
103	A	93.5	Very high	94.8	Very high	6 Å²	6	58.7 Å²	58.7	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.2	172.6	0	0	0	0	0	110.1	G105 N106 Y108 F113 F128 Y130 L135	A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 2.79Å; A103-N106 PolarHBondContact N-O 2.97Å; A103-N106 VanDerWaalsContact N-O 3.07Å; A103-N106 VanDerWaalsContact O-CB 3.31Å; A103-N106 WeakPolarHBondContact O-CB 3.27Å; A103-N106 PolarHBondContact O-N 3.18Å; A103-Y108 HydrophobicContact CB-CE2 4.19Å; A103-F113 HydrophobicContact CB-CE2 3.85Å; A103-F113 HydrophobicContact CB-CZ 4.07Å; A103-F128 HydrophobicContact CB-CE2 4.14Å; A103-F128 HydrophobicContact CB-CZ 4.13Å; A103-Y130 HydrophobicContact CB-CD2 4.24Å; A103-L135 HydrophobicContact CB-CD2 4.29Å
104	Q	90.6	Very high	94.9	Very high	123 Å²	123	55.8 Å²	55.8	58%	0.575	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.8	178.1	-61.7	-65.2	-5.6	0	0	113.7	N106 Y130	Q104-N106 PolarHBondContact O-N 3.21Å; Q104-N106 VanDerWaalsContact O-N 3.17Å; Q104-Y130 HydrophobicContact CB-CD1 3.91Å; Q104-Y130 HydrophobicContact CB-CE1 3.72Å; Q104-Y130 HydrophobicContact CG-CD1 3.46Å; Q104-Y130 VanDerWaalsContact CG-CD1 3.46Å; Q104-Y130 HydrophobicContact CG-CE1 3.83Å; Q104-Y130 HydrophobicContact CG-CG 3.95Å
105	G	90.7	Very high	94.9	Very high	77 Å²	77	55.6 Å²	55.6	79%	0.794	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-10.2	-179.3	0	0	0	0	0	115.4	A103	A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 2.79Å
106	N	94.3	Very high	95	Very high	56 Å²	56	54.8 Å²	54.8	30%	0.299	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	152.7	177.5	-72.9	-56.4	0	0	0	112.4	S88 R102 A103 Q104 Y108 Y130	S88-N106 VanDerWaalsContact OG-CB 3.29Å; S88-N106 WeakPolarHBondContact OG-CB 3.44Å; S88-N106 PolarHBondContact OG-OD1 3.33Å; R102-N106 VanDerWaalsContact CA-O 3.28Å; R102-N106 WeakPolarHBondContact CA-O 3.31Å; A103-N106 PolarHBondContact N-O 2.97Å; A103-N106 VanDerWaalsContact N-O 3.07Å; A103-N106 VanDerWaalsContact O-CB 3.31Å; A103-N106 WeakPolarHBondContact O-CB 3.27Å; A103-N106 PolarHBondContact O-N 3.18Å; Q104-N106 PolarHBondContact O-N 3.21Å; Q104-N106 VanDerWaalsContact O-N 3.17Å; N106-Y108 HydrophobicContact CB-CE2 3.52Å; N106-Y108 VanDerWaalsContact CB-OH 3.29Å; N106-Y108 WeakPolarHBondContact CB-OH 3.46Å; N106-Y130 PolarHBondContact ND2-OH 2.79Å
107	V	95.9	Very high	95.2	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.145	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.9	178.2	-61.9	0	0	0	0	110.7	A86 C87 S88 I94 M101 R102	A86-V107 WeakPolarHBondContact O-CG2 3.24Å; C87-V107 CarbonylContact C-O 3.5Å; C87-V107 WeakPolarHBondContact CA-O 3.45Å; S88-V107 PolarHBondContact N-O 3.1Å; I94-V107 HydrophobicContact CD1-CB 4.2Å; I94-V107 HydrophobicContact CD1-CG2 3.84Å; M101-V107 CarbonylContact O-C 3.57Å; M101-V107 WeakPolarHBondContact O-CA 3.35Å; R102-V107 HydrophobicContact CG-CG1 4.23Å
108	Y	96.8	Very high	95.5	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.1	-177.1	-52.4	-100.3	0	0	0	110.9	A89 V100 M101 A103 N106 F113 Y130 L135	A89-Y108 HydrophobicContact CB-CD1 3.75Å; A89-Y108 HydrophobicContact CB-CE1 4.12Å; V100-Y108 WeakPolarHBondContact CA-O 3.48Å; M101-Y108 PolarHBondContact N-O 3.39Å; M101-Y108 PolarHBondContact O-N 3.24Å; A103-Y108 HydrophobicContact CB-CE2 4.19Å; N106-Y108 HydrophobicContact CB-CE2 3.52Å; N106-Y108 VanDerWaalsContact CB-OH 3.29Å; N106-Y108 WeakPolarHBondContact CB-OH 3.46Å; Y108-F113 HydrophobicContact CD1-CD2 4.38Å; Y108-F113 AromaticContact CD2-CD2 3.59Å; Y108-F113 HydrophobicContact CD2-CD2 3.59Å; Y108-F113 AromaticContact CD2-CE2 3.77Å; Y108-F113 HydrophobicContact CD2-CE2 3.77Å; Y108-F113 HydrophobicContact CE2-CD2 4.25Å; Y108-F113 HydrophobicContact CE2-CE2 4.07Å; Y108-F113 AromaticContact CG-CD2 3.69Å; Y108-F113 HydrophobicContact CG-CD2 3.69Å; Y108-F113 HydrophobicContact CG-CE2 4.32Å; Y108-Y130 VanDerWaalsContact OH-CE2 3.32Å; Y108-Y130 WeakPolarHBondContact OH-CE2 3.34Å; Y108-Y130 PolarHBondContact OH-OH 2.95Å; Y108-L135 HydrophobicContact CD1-CD1 4.46Å; Y108-L135 HydrophobicContact CE1-CD1 4.27Å
109	H	97.8	Very high	95.6	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.065	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	148.6	163	-59.2	111.2	0	0	0	109.9	C87 C90 E98 K111 C112 F113	C87-H109 VanDerWaalsContact CB-CE1 3.46Å; C87-H109 WeakPolarHBondContact CB-CE1 3.47Å; C87-H109 VanDerWaalsContact CB-ND1 3.33Å; C87-H109 WeakPolarHBondContact CB-ND1 3.36Å; C87-H109 PolarHBondContact SG-ND1 3.45Å; C90-H109 PolarHBondContact SG-CE1 3.3Å; C90-H109 PolarHBondContact SG-ND1 3.28Å; E98-H109 IonicContact OE1-CD2 3.24Å; E98-H109 PolarHBondContact OE1-CD2 3.49Å; E98-H109 VanDerWaalsContact OE1-CD2 3.24Å; E98-H109 IonicContact OE2-CD2 3.98Å; H109-K111 HydrophobicContact CB-CG 4.05Å; H109-K111 PolarHBondContact O-N 3.31Å; H109-C112 HydrophobicContact CB-CB 4.08Å; H109-C112 PolarHBondContact O-N 3.36Å; H109-F113 PolarHBondContact O-N 2.93Å; H109-F113 VanDerWaalsContact O-N 3.15Å
110	L	96.3	Very high	95.8	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.346	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.6	175.6	-58	-175.5	0	0	0	113.7	L99 M101 R121	L99-L110 HydrophobicContact CB-CD1 4.22Å; M101-L110 HydrophobicContact CG-CD2 3.75Å; M101-L110 HydrophobicContact SD-CD2 3.43Å; M101-L110 WeakPolarHBondContact SD-CD2 3.37Å; L110-R121 PolarHBondContact O-NE 3.09Å; L110-R121 PolarHBondContact O-NH2 3.24Å; L110-R121 VanDerWaalsContact O-NH2 3.07Å
111	K	96.9	Very high	95.9	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.5	176.8	68.2	-179	179.7	-176.8	0	113.8	H109 T114	H109-K111 HydrophobicContact CB-CG 4.05Å; H109-K111 PolarHBondContact O-N 3.31Å; K111-T114 WeakPolarHBondContact O-CG2 3.43Å
112	C	97.8	Very high	95.9	Very high	22 Å²	22	64 Å²	64	15%	0.149	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-9.7	-178	-63.3	0	0	0	0	112.6	A89 H109 T114	A89-C112 HydrophobicContact CB-CB 3.88Å; H109-C112 HydrophobicContact CB-CB 4.08Å; H109-C112 PolarHBondContact O-N 3.36Å; C112-T114 PolarHBondContact O-N 3.03Å
113	F	97.9	Very high	95.9	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	31%	0.313	C	S	.	.			trans	-81	74.4	175.1	-156.4	-108.4	0	0	0	110	M101 A103 Y108 H109 L122 F128 L135 V164	M101-F113 HydrophobicContact CB-CB 3.79Å; M101-F113 HydrophobicContact CB-CD1 3.85Å; M101-F113 HydrophobicContact CB-CD2 3.46Å; M101-F113 VanDerWaalsContact CB-CD2 3.46Å; M101-F113 HydrophobicContact CB-CE1 4.32Å; M101-F113 HydrophobicContact CB-CE2 3.94Å; M101-F113 HydrophobicContact CB-CG 3.42Å; M101-F113 VanDerWaalsContact CB-CG 3.42Å; M101-F113 HydrophobicContact CB-CZ 4.36Å; M101-F113 HydrophobicContact CE-CD1 3.77Å; M101-F113 HydrophobicContact CE-CE1 3.96Å; M101-F113 HydrophobicContact CE-CG 4.47Å; M101-F113 HydrophobicContact CG-CB 3.51Å; M101-F113 HydrophobicContact CG-CD1 3.79Å; M101-F113 HydrophobicContact CG-CD2 4.14Å; M101-F113 HydrophobicContact CG-CG 3.56Å; A103-F113 HydrophobicContact CB-CE2 3.85Å; A103-F113 HydrophobicContact CB-CZ 4.07Å; Y108-F113 HydrophobicContact CD1-CD2 4.38Å; Y108-F113 AromaticContact CD2-CD2 3.59Å; Y108-F113 HydrophobicContact CD2-CD2 3.59Å; Y108-F113 AromaticContact CD2-CE2 3.77Å; Y108-F113 HydrophobicContact CD2-CE2 3.77Å; Y108-F113 HydrophobicContact CE2-CD2 4.25Å; Y108-F113 HydrophobicContact CE2-CE2 4.07Å; Y108-F113 AromaticContact CG-CD2 3.69Å; Y108-F113 HydrophobicContact CG-CD2 3.69Å; Y108-F113 HydrophobicContact CG-CE2 4.32Å; H109-F113 PolarHBondContact O-N 2.93Å; H109-F113 VanDerWaalsContact O-N 3.15Å; F113-L122 HydrophobicContact CD1-CB 3.64Å; F113-L122 HydrophobicContact CD1-CD1 4.36Å; F113-L122 HydrophobicContact CE1-CB 3.83Å; F113-L122 HydrophobicContact CE1-CD1 4.15Å; F113-L122 PolarHBondContact O-N 3.41Å; F113-F128 HydrophobicContact CZ-CE2 4.13Å; F113-F128 HydrophobicContact CZ-CZ 4.08Å; F113-L135 HydrophobicContact CD2-CD1 3.36Å; F113-L135 HydrophobicContact CD2-CD2 4.37Å; F113-L135 HydrophobicContact CE2-CD1 3.47Å; F113-L135 VanDerWaalsContact CE2-CD1 3.47Å; F113-L135 HydrophobicContact CE2-CD2 3.62Å; F113-L135 HydrophobicContact CE2-CG 4.2Å; F113-L135 HydrophobicContact CG-CD1 4Å; F113-L135 HydrophobicContact CZ-CD1 4.15Å; F113-L135 HydrophobicContact CZ-CD2 3.68Å; F113-V164 HydrophobicContact CE1-CG1 4.18Å; F113-V164 HydrophobicContact CE1-CG2 4.05Å
114	T	98.1	Very high	96	Very high	29 Å²	29	62.6 Å²	62.6	18%	0.178	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-125.7	150	-172	53.4	0	0	0	0	111.6	K111 C112 S116 N120 R121	K111-T114 WeakPolarHBondContact O-CG2 3.43Å; C112-T114 PolarHBondContact O-N 3.03Å; T114-S116 PolarHBondContact O-N 3.22Å; T114-N120 CarbonylContact C-O 3.59Å; T114-N120 VanDerWaalsContact CA-O 3.22Å; T114-N120 WeakPolarHBondContact CA-O 3.31Å; T114-R121 HydrophobicContact CG2-CB 4.4Å; T114-R121 HydrophobicContact CG2-CG 3.72Å
115	C	97.2	Very high	96.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.328	C	S	.	.			trans	-58.3	136.1	169.1	176.4	0	0	0	0	111	T117 C118 R119 N120 L135 C137 D140	C115-T117 PolarHBondContact O-N 3.48Å; C115-T117 PolarHBondContact SG-N 3.45Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 VanDerWaalsContact SG-SG 3.62Å; C115-R119 WeakPolarHBondContact O-CA 3.35Å; C115-R119 PolarHBondContact O-N 2.86Å; C115-R119 VanDerWaalsContact O-N 3.09Å; C115-N120 PolarHBondContact N-O 3.13Å; C115-L135 CarbonylContact C-O 3.53Å; C115-L135 WeakPolarHBondContact CA-O 3.13Å; C115-C137 HydrophobicContact CB-CB 4.21Å; C115-D140 PolarHBondContact SG-OD2 3.33Å
116	S	95.9	Very high	96.3	Very high	42 Å²	42	57.7 Å²	57.7	29%	0.294	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20	-179.1	-51.9	0	0	0	0	112.5	T114 L135	T114-S116 PolarHBondContact O-N 3.22Å; S116-L135 WeakPolarHBondContact CB-O 3.45Å; S116-L135 PolarHBondContact N-O 3.19Å; S116-L135 PolarHBondContact OG-N 3.38Å; S116-L135 PolarHBondContact OG-O 3.09Å
117	T	95.5	Very high	96.4	Very high	82 Å²	82	60.6 Å²	60.6	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-75.3	179.1	-51	0	0	0	0	111.1	C115 R119 D140	C115-T117 PolarHBondContact O-N 3.48Å; C115-T117 PolarHBondContact SG-N 3.45Å; T117-R119 VanDerWaalsContact C-N 3.32Å; T117-R119 PolarHBondContact O-N 3.44Å; T117-D140 WeakPolarHBondContact CB-OD2 3.31Å; T117-D140 HydrophobicContact CG2-CB 4.16Å
118	C	96.7	Very high	96.3	Very high	49 Å²	49	59.8 Å²	59.8	33%	0.331	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7	-177	64.6	0	0	0	0	115.5	C115 N120 D140	C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 VanDerWaalsContact SG-SG 3.62Å; C118-N120 PolarHBondContact O-N 3.43Å; C118-N120 VanDerWaalsContact SG-CB 3.6Å; C118-N120 PolarHBondContact SG-ND2 3.17Å; C118-D140 WeakPolarHBondContact CB-OD2 3.28Å; C118-D140 PolarHBondContact N-OD2 3.26Å; C118-D140 VanDerWaalsContact N-OD2 3.1Å; C118-D140 PolarHBondContact SG-OD2 3.1Å
119	R	96.6	Very high	96.2	Very high	174 Å²	174	60.7 Å²	60.7	66%	0.657	31%	0.311	S	S	*	.			trans	63	5.7	-176.3	-53.8	-60	-174.2	170.6	-1.2	115.8	C115 T117	C115-R119 WeakPolarHBondContact O-CA 3.35Å; C115-R119 PolarHBondContact O-N 2.86Å; C115-R119 VanDerWaalsContact O-N 3.09Å; T117-R119 VanDerWaalsContact C-N 3.32Å; T117-R119 PolarHBondContact O-N 3.44Å
120	N	96.9	Very high	96	Very high	105 Å²	105	62.5 Å²	62.5	56%	0.561	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-61.5	140	173.5	-71.9	-23.7	0	0	0	111.1	T114 C115 C118	T114-N120 CarbonylContact C-O 3.59Å; T114-N120 VanDerWaalsContact CA-O 3.22Å; T114-N120 WeakPolarHBondContact CA-O 3.31Å; C115-N120 PolarHBondContact N-O 3.13Å; C118-N120 PolarHBondContact O-N 3.43Å; C118-N120 VanDerWaalsContact SG-CB 3.6Å; C118-N120 PolarHBondContact SG-ND2 3.17Å
121	R	97.1	Very high	95.8	Very high	140 Å²	140	60.8 Å²	60.8	53%	0.528	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-72.5	131.7	174.7	-68	176.4	65.4	-151.2	-2.6	109.4	L110 T114	L110-R121 PolarHBondContact O-NE 3.09Å; L110-R121 PolarHBondContact O-NH2 3.24Å; L110-R121 VanDerWaalsContact O-NH2 3.07Å; T114-R121 HydrophobicContact CG2-CB 4.4Å; T114-R121 HydrophobicContact CG2-CG 3.72Å
122	L	97.1	Very high	95.4	Very high	6 Å²	6	61 Å²	61	3%	0.031	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-90.2	128.1	173.6	-59.3	170.4	0	0	0	108.2	F113 D126 F128 L135 C137 V164	F113-L122 HydrophobicContact CD1-CB 3.64Å; F113-L122 HydrophobicContact CD1-CD1 4.36Å; F113-L122 HydrophobicContact CE1-CB 3.83Å; F113-L122 HydrophobicContact CE1-CD1 4.15Å; F113-L122 PolarHBondContact O-N 3.41Å; L122-D126 WeakPolarHBondContact CA-OD2 3.33Å; L122-F128 HydrophobicContact CD1-CB 3.76Å; L122-F128 HydrophobicContact CD1-CD2 4.35Å; L122-F128 HydrophobicContact CD1-CG 4.16Å; L122-F128 HydrophobicContact CD2-CB 4.24Å; L122-L135 HydrophobicContact CD1-CB 4.08Å; L122-L135 HydrophobicContact CD1-CD2 4.46Å; L122-C137 HydrophobicContact CD2-CB 3.75Å; L122-V164 HydrophobicContact CB-CG2 4.39Å
123	V	95.3	Very high	94.9	Very high	66 Å²	66	61.9 Å²	61.9	40%	0.4	33%	0.33	S	S	.	.			trans	-119.3	160.6	-177.2	-62.4	0	0	0	0	111.2	G125 D126 V164	V123-G125 PolarHBondContact O-N 3.3Å; V123-D126 WeakPolarHBondContact CG2-OD2 3.28Å; V123-D126 PolarHBondContact N-OD2 3.02Å; V123-D126 WeakPolarHBondContact O-CB 3.45Å; V123-D126 PolarHBondContact O-N 3.3Å; V123-V164 VanDerWaalsContact O-CB 3.24Å; V123-V164 WeakPolarHBondContact O-CB 3.19Å; V123-V164 WeakPolarHBondContact O-CG1 3.46Å
124	P	94.6	Very high	94.6	Very high	84 Å²	84	64.1 Å²	64.1	55%	0.545	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	127.9	175.3	-29.4	36.9	0	0	0	112.2	M101 V164	M101-P124 HydrophobicContact CE-CG 4.41Å; P124-V164 WeakPolarHBondContact CA-O 3.39Å; P124-V164 HydrophobicContact CG-CG1 4.44Å
125	G	93.6	Very high	94.5	Very high	38 Å²	38	63 Å²	63	39%	0.392	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.2	-25.2	-173.7	0	0	0	0	0	115.2	V123 V164	V123-G125 PolarHBondContact O-N 3.3Å; G125-V164 PolarHBondContact N-O 3.03Å
126	D	94.4	Very high	94.4	Very high	59 Å²	59	63.5 Å²	63.5	32%	0.316	34%	0.34	S	S	.	.			trans	-67.6	150.9	179.4	-69.5	-18.4	0	0	0	111.9	L122 V123 K163 V164	L122-D126 WeakPolarHBondContact CA-OD2 3.33Å; V123-D126 WeakPolarHBondContact CG2-OD2 3.28Å; V123-D126 PolarHBondContact N-OD2 3.02Å; V123-D126 WeakPolarHBondContact O-CB 3.45Å; V123-D126 PolarHBondContact O-N 3.3Å; D126-K163 WeakPolarHBondContact O-CA 3.42Å; D126-V164 HydrophobicContact CB-CG2 4.04Å; D126-V164 WeakPolarHBondContact O-CG2 3.36Å; D126-V164 PolarHBondContact O-N 3.45Å
127	R	95.1	Very high	94.5	Very high	117 Å²	117	62.1 Å²	62.1	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.5	165.1	-71.4	-172	-67.2	-77.5	-1	110	E138 D161 Q162	R127-E138 HydrophobicContact CB-CB 4.16Å; R127-E138 HydrophobicContact CB-CG 4.49Å; R127-E138 IonicContact CZ-OE1 3.98Å; R127-E138 IonicContact CZ-OE2 3.16Å; R127-E138 IonicContact NE-OE1 3.32Å; R127-E138 PolarHBondContact NE-OE1 2.96Å; R127-E138 IonicContact NE-OE2 2.98Å; R127-E138 PolarHBondContact NE-OE2 2.88Å; R127-E138 VanDerWaalsContact NE-OE2 3.09Å; R127-E138 IonicContact NH2-OE1 3.64Å; R127-E138 PolarHBondContact NH2-OE1 2.98Å; R127-E138 IonicContact NH2-OE2 3.74Å; R127-E138 PolarHBondContact NH2-OE2 2.98Å; R127-E138 PolarHBondContact O-N 3.27Å; R127-D161 HydrophobicContact CG-CB 4.21Å; R127-Q162 WeakPolarHBondContact CA-O 3.45Å
128	F	95.6	Very high	94.4	Very high	7 Å²	7	61.7 Å²	61.7	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.5	-179.9	78.7	-78.6	0	0	0	112.4	A103 F113 L122 L135 F136 Q162 V164	A103-F128 HydrophobicContact CB-CE2 4.14Å; A103-F128 HydrophobicContact CB-CZ 4.13Å; F113-F128 HydrophobicContact CZ-CE2 4.13Å; F113-F128 HydrophobicContact CZ-CZ 4.08Å; L122-F128 HydrophobicContact CD1-CB 3.76Å; L122-F128 HydrophobicContact CD1-CD2 4.35Å; L122-F128 HydrophobicContact CD1-CG 4.16Å; L122-F128 HydrophobicContact CD2-CB 4.24Å; F128-L135 HydrophobicContact CD2-CD2 3.54Å; F128-L135 HydrophobicContact CE2-CD2 3.45Å; F128-L135 VanDerWaalsContact CE2-CD2 3.45Å; F128-F136 CarbonylContact C-O 3.51Å; F128-F136 VanDerWaalsContact CA-O 3.22Å; F128-F136 WeakPolarHBondContact CA-O 3.43Å; F128-F136 VanDerWaalsContact CB-O 3.27Å; F128-F136 WeakPolarHBondContact CB-O 3.2Å; F128-Q162 HydrophobicContact CD1-CB 4.1Å; F128-Q162 WeakPolarHBondContact CD1-O 3.4Å; F128-Q162 HydrophobicContact CE1-CB 3.68Å; F128-Q162 HydrophobicContact CZ-CB 3.94Å; F128-Q162 PolarHBondContact N-O 3.36Å; F128-Q162 VanDerWaalsContact N-O 3.1Å; F128-V164 HydrophobicContact CD1-CG2 3.4Å; F128-V164 VanDerWaalsContact CD1-CG2 3.4Å; F128-V164 HydrophobicContact CE1-CG2 3.69Å; F128-V164 HydrophobicContact CG-CG2 4.33Å
129	H	93.9	Very high	94.3	Very high	23 Å²	23	67.5 Å²	67.5	11%	0.106	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.5	173.5	-53.6	-66	0	0	0	110.6	L135 F136 R141 D161	H129-L135 CarbonylContact O-C 3.49Å; H129-L135 WeakPolarHBondContact O-CA 3.36Å; H129-F136 HydrophobicContact CB-CB 4.34Å; H129-F136 PolarHBondContact N-O 3.41Å; H129-F136 PolarHBondContact O-N 3.46Å; H129-R141 PolarHBondContact CE1-NH1 3.26Å; H129-R141 VanDerWaalsContact CE1-NH1 3.34Å; H129-D161 IonicContact CE1-OD1 3.48Å; H129-D161 PolarHBondContact CE1-OD1 3Å
130	Y	93.3	Very high	94.2	Very high	51 Å²	51	61.3 Å²	61.3	20%	0.2	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116	176.6	-172.8	-93.5	0	0	0	110.3	A103 Q104 N106 Y108 G133 S134 L135	A103-Y130 HydrophobicContact CB-CD2 4.24Å; Q104-Y130 HydrophobicContact CB-CD1 3.91Å; Q104-Y130 HydrophobicContact CB-CE1 3.72Å; Q104-Y130 HydrophobicContact CG-CD1 3.46Å; Q104-Y130 VanDerWaalsContact CG-CD1 3.46Å; Q104-Y130 HydrophobicContact CG-CE1 3.83Å; Q104-Y130 HydrophobicContact CG-CG 3.95Å; N106-Y130 PolarHBondContact ND2-OH 2.79Å; Y108-Y130 VanDerWaalsContact OH-CE2 3.32Å; Y108-Y130 WeakPolarHBondContact OH-CE2 3.34Å; Y108-Y130 PolarHBondContact OH-OH 2.95Å; Y130-G133 VanDerWaalsContact OH-CA 3.31Å; Y130-G133 WeakPolarHBondContact OH-CA 3.45Å; Y130-S134 WeakPolarHBondContact CA-O 3.28Å; Y130-L135 HydrophobicContact CD2-CD2 3.69Å; Y130-L135 HydrophobicContact CD2-CG 4.17Å; Y130-L135 HydrophobicContact CE2-CD2 4.35Å; Y130-L135 HydrophobicContact CE2-CG 4.5Å
131	I	91.6	Very high	93.8	Very high	30 Å²	30	60.3 Å²	60.3	15%	0.154	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	120.2	-174.5	-58.5	163.8	0	0	0	108.9	G133 S134 F136 P142 I146	I131-G133 VanDerWaalsContact C-N 3.29Å; I131-G133 PolarHBondContact O-N 3.06Å; I131-S134 PolarHBondContact N-O 2.92Å; I131-S134 WeakPolarHBondContact O-CA 3.38Å; I131-S134 WeakPolarHBondContact O-CB 3.48Å; I131-S134 PolarHBondContact O-N 3.3Å; I131-F136 HydrophobicContact CB-CE2 4.17Å; I131-F136 HydrophobicContact CD1-CD2 4.37Å; I131-F136 HydrophobicContact CD1-CE2 4.49Å; I131-P142 HydrophobicContact CD1-CG 3.5Å; I131-P142 VanDerWaalsContact CD1-CG 3.5Å; I131-I146 HydrophobicContact CD1-CD1 3.95Å; I131-I146 HydrophobicContact CD1-CG1 3.74Å
132	N	88.3	Confident	93	Very high	157 Å²	157	54.6 Å²	54.6	84%	0.84	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	44.7	176.6	-61.7	-22.9	0	0	0	114.1	S134	N132-S134 VanDerWaalsContact C-N 3.28Å; N132-S134 PolarHBondContact O-N 2.81Å
133	G	87.3	Confident	92.2	Very high	40 Å²	40	58.6 Å²	58.6	41%	0.412	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-15.6	-178.5	0	0	0	0	0	115	Y130 I131	Y130-G133 VanDerWaalsContact OH-CA 3.31Å; Y130-G133 WeakPolarHBondContact OH-CA 3.45Å; I131-G133 VanDerWaalsContact C-N 3.29Å; I131-G133 PolarHBondContact O-N 3.06Å
134	S	92.9	Very high	91	Very high	47 Å²	47	59.6 Å²	59.6	33%	0.329	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.6	-173.3	-60.4	0	0	0	0	112.1	Y130 I131 N132 F136	Y130-S134 WeakPolarHBondContact CA-O 3.28Å; I131-S134 PolarHBondContact N-O 2.92Å; I131-S134 WeakPolarHBondContact O-CA 3.38Å; I131-S134 WeakPolarHBondContact O-CB 3.48Å; I131-S134 PolarHBondContact O-N 3.3Å; N132-S134 VanDerWaalsContact C-N 3.28Å; N132-S134 PolarHBondContact O-N 2.81Å; S134-F136 VanDerWaalsContact CB-CE2 3.46Å
135	L	95.5	Very high	89.7	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.4	176.7	-67.9	159.1	0	0	0	110	A103 Y108 F113 C115 S116 L122 F128 H129 Y130	A103-L135 HydrophobicContact CB-CD2 4.29Å; Y108-L135 HydrophobicContact CD1-CD1 4.46Å; Y108-L135 HydrophobicContact CE1-CD1 4.27Å; F113-L135 HydrophobicContact CD2-CD1 3.36Å; F113-L135 HydrophobicContact CD2-CD2 4.37Å; F113-L135 HydrophobicContact CE2-CD1 3.47Å; F113-L135 VanDerWaalsContact CE2-CD1 3.47Å; F113-L135 HydrophobicContact CE2-CD2 3.62Å; F113-L135 HydrophobicContact CE2-CG 4.2Å; F113-L135 HydrophobicContact CG-CD1 4Å; F113-L135 HydrophobicContact CZ-CD1 4.15Å; F113-L135 HydrophobicContact CZ-CD2 3.68Å; C115-L135 CarbonylContact C-O 3.53Å; C115-L135 WeakPolarHBondContact CA-O 3.13Å; S116-L135 WeakPolarHBondContact CB-O 3.45Å; S116-L135 PolarHBondContact N-O 3.19Å; S116-L135 PolarHBondContact OG-N 3.38Å; S116-L135 PolarHBondContact OG-O 3.09Å; L122-L135 HydrophobicContact CD1-CB 4.08Å; L122-L135 HydrophobicContact CD1-CD2 4.46Å; F128-L135 HydrophobicContact CD2-CD2 3.54Å; F128-L135 HydrophobicContact CE2-CD2 3.45Å; F128-L135 VanDerWaalsContact CE2-CD2 3.45Å; H129-L135 CarbonylContact O-C 3.49Å; H129-L135 WeakPolarHBondContact O-CA 3.36Å; Y130-L135 HydrophobicContact CD2-CD2 3.69Å; Y130-L135 HydrophobicContact CD2-CG 4.17Å; Y130-L135 HydrophobicContact CE2-CD2 4.35Å; Y130-L135 HydrophobicContact CE2-CG 4.5Å
136	F	95.9	Very high	88.4	Confident	12 Å²	12	61.4 Å²	61.4	5%	0.053	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.9	176.2	-58.6	-89.9	0	0	0	109.7	F128 H129 I131 S134 P142 L145	F128-F136 CarbonylContact C-O 3.51Å; F128-F136 VanDerWaalsContact CA-O 3.22Å; F128-F136 WeakPolarHBondContact CA-O 3.43Å; F128-F136 VanDerWaalsContact CB-O 3.27Å; F128-F136 WeakPolarHBondContact CB-O 3.2Å; H129-F136 HydrophobicContact CB-CB 4.34Å; H129-F136 PolarHBondContact N-O 3.41Å; H129-F136 PolarHBondContact O-N 3.46Å; I131-F136 HydrophobicContact CB-CE2 4.17Å; I131-F136 HydrophobicContact CD1-CD2 4.37Å; I131-F136 HydrophobicContact CD1-CE2 4.49Å; S134-F136 VanDerWaalsContact CB-CE2 3.46Å; F136-P142 HydrophobicContact CD1-CB 4.33Å; F136-P142 HydrophobicContact CD1-CG 3.87Å; F136-P142 HydrophobicContact CD2-CG 3.77Å; F136-P142 HydrophobicContact CE1-CB 4.12Å; F136-P142 HydrophobicContact CE1-CG 3.85Å; F136-P142 HydrophobicContact CE2-CG 3.75Å; F136-P142 HydrophobicContact CG-CG 3.84Å; F136-P142 HydrophobicContact CZ-CB 4.34Å; F136-P142 HydrophobicContact CZ-CG 3.8Å; F136-L145 HydrophobicContact CZ-CD1 4.24Å
137	C	96.3	Very high	86.7	Confident	13 Å²	13	63.5 Å²	63.5	9%	0.088	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	165.8	171.7	68.8	0	0	0	0	109.9	C115 L122 H139 D140	C115-C137 HydrophobicContact CB-CB 4.21Å; L122-C137 HydrophobicContact CD2-CB 3.75Å; C137-H139 PolarHBondContact O-N 3.27Å; C137-D140 PolarHBondContact O-N 3.32Å; C137-D140 VanDerWaalsContact O-N 3.12Å; C137-D140 PolarHBondContact SG-N 2.84Å
138	E	94.6	Very high	84.6	Confident	72 Å²	72	60.9 Å²	60.9	34%	0.336	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-51.1	-37.8	176.1	-177.7	174.9	-162	0	0	113.6	R127	R127-E138 HydrophobicContact CB-CB 4.16Å; R127-E138 HydrophobicContact CB-CG 4.49Å; R127-E138 IonicContact CZ-OE1 3.98Å; R127-E138 IonicContact CZ-OE2 3.16Å; R127-E138 IonicContact NE-OE1 3.32Å; R127-E138 PolarHBondContact NE-OE1 2.96Å; R127-E138 IonicContact NE-OE2 2.98Å; R127-E138 PolarHBondContact NE-OE2 2.88Å; R127-E138 VanDerWaalsContact NE-OE2 3.09Å; R127-E138 IonicContact NH2-OE1 3.64Å; R127-E138 PolarHBondContact NH2-OE1 2.98Å; R127-E138 IonicContact NH2-OE2 3.74Å; R127-E138 PolarHBondContact NH2-OE2 2.98Å; R127-E138 PolarHBondContact O-N 3.27Å
139	H	94.4	Very high	82.5	Confident	171 Å²	171	68.8 Å²	68.8	79%	0.792	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-77.1	-24	-176.9	-58.5	86.3	0	0	0	113.6	C137	C137-H139 PolarHBondContact O-N 3.27Å
140	D	94.3	Very high	80.2	Confident	44 Å²	44	73.1 Å²	73.1	24%	0.235	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-108.9	30	-176	-70.7	-30.3	0	0	0	112.1	C115 T117 C118 C137 P142	C115-D140 PolarHBondContact SG-OD2 3.33Å; T117-D140 WeakPolarHBondContact CB-OD2 3.31Å; T117-D140 HydrophobicContact CG2-CB 4.16Å; C118-D140 WeakPolarHBondContact CB-OD2 3.28Å; C118-D140 PolarHBondContact N-OD2 3.26Å; C118-D140 VanDerWaalsContact N-OD2 3.1Å; C118-D140 PolarHBondContact SG-OD2 3.1Å; C137-D140 PolarHBondContact O-N 3.32Å; C137-D140 VanDerWaalsContact O-N 3.12Å; C137-D140 PolarHBondContact SG-N 2.84Å; D140-P142 VanDerWaalsContact O-CD 3.27Å; D140-P142 WeakPolarHBondContact O-CD 3.36Å; D140-P142 VanDerWaalsContact O-N 3.12Å
141	R	88.6	Confident	77.6	Confident	84 Å²	84	76 Å²	76	32%	0.317	44%	0.438	S	S	.	.			trans	-55.6	117.6	177.9	-176.2	178.7	-179.2	140.2	-1.4	110	H129 T143 I146	H129-R141 PolarHBondContact CE1-NH1 3.26Å; H129-R141 VanDerWaalsContact CE1-NH1 3.34Å; R141-T143 PolarHBondContact O-N 3.46Å; R141-T143 PolarHBondContact O-OG1 2.85Å; R141-I146 HydrophobicContact CG-CD1 4.32Å
142	P	81.3	Confident	75.5	Confident	21 Å²	21	79.4 Å²	79.4	14%	0.136	46%	0.464	C	S	.	.			trans	-83.5	81	-173.4	34	-36.3	0	0	0	110.6	I131 F136 D140 A144 L145 I146	I131-P142 HydrophobicContact CD1-CG 3.5Å; I131-P142 VanDerWaalsContact CD1-CG 3.5Å; F136-P142 HydrophobicContact CD1-CB 4.33Å; F136-P142 HydrophobicContact CD1-CG 3.87Å; F136-P142 HydrophobicContact CD2-CG 3.77Å; F136-P142 HydrophobicContact CE1-CB 4.12Å; F136-P142 HydrophobicContact CE1-CG 3.85Å; F136-P142 HydrophobicContact CE2-CG 3.75Å; F136-P142 HydrophobicContact CG-CG 3.84Å; F136-P142 HydrophobicContact CZ-CB 4.34Å; F136-P142 HydrophobicContact CZ-CG 3.8Å; D140-P142 VanDerWaalsContact O-CD 3.27Å; D140-P142 WeakPolarHBondContact O-CD 3.36Å; D140-P142 VanDerWaalsContact O-N 3.12Å; P142-A144 PolarHBondContact O-N 3.3Å; P142-L145 HydrophobicContact CB-CB 4.2Å; P142-L145 HydrophobicContact CB-CD1 3.89Å; P142-L145 HydrophobicContact CB-CG 4.13Å; P142-L145 HydrophobicContact CG-CB 4.44Å; P142-L145 HydrophobicContact CG-CD1 4.21Å; P142-L145 PolarHBondContact O-N 3.2Å; P142-L145 VanDerWaalsContact O-N 3.11Å; P142-I146 PolarHBondContact O-N 3.27Å
143	T	79.9	Confident	73.5	Confident	90 Å²	90	79 Å²	79	55%	0.552	46%	0.461	S	S	*	.	H	α-helix	trans	-55.2	-34.8	-179.5	-42.1	0	0	0	0	112.6	R141 N147	R141-T143 PolarHBondContact O-N 3.46Å; R141-T143 PolarHBondContact O-OG1 2.85Å; T143-N147 PolarHBondContact O-N 2.87Å; T143-N147 PolarHBondContact O-OD1 2.8Å
144	A	70.5	Confident	71.2	Confident	86 Å²	86	84.5 Å²	84.5	71%	0.711	48%	0.476	S	S	*	.	H	α-helix	trans	-67.6	-36	178.8	0	0	0	0	0	113.7	P142 G148	P142-A144 PolarHBondContact O-N 3.3Å; A144-G148 PolarHBondContact O-N 2.69Å
145	L	67.2	Low	68.9	Low	104 Å²	104	88.7 Å²	88.7	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-75.3	-28.8	-179.7	-67.1	178.9	0	0	0	112.3	F136 P142	F136-L145 HydrophobicContact CZ-CD1 4.24Å; P142-L145 HydrophobicContact CB-CB 4.2Å; P142-L145 HydrophobicContact CB-CD1 3.89Å; P142-L145 HydrophobicContact CB-CG 4.13Å; P142-L145 HydrophobicContact CG-CB 4.44Å; P142-L145 HydrophobicContact CG-CD1 4.21Å; P142-L145 PolarHBondContact O-N 3.2Å; P142-L145 VanDerWaalsContact O-N 3.11Å
146	I	64.8	Low	66.1	Low	57 Å²	57	95.5 Å²	95.5	29%	0.292	54%	0.536	S	S	.	.	H	α-helix	trans	-72.5	-38.8	176.8	-59.9	168.3	0	0	0	109.9	I131 R141 P142	I131-I146 HydrophobicContact CD1-CD1 3.95Å; I131-I146 HydrophobicContact CD1-CG1 3.74Å; R141-I146 HydrophobicContact CG-CD1 4.32Å; P142-I146 PolarHBondContact O-N 3.27Å
147	N	59.6	Low	63.4	Low	102 Å²	102	100.4 Å²	100.4	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-80.2	-19.5	-177.1	-71.3	20.4	0	0	0	113.7	T143 H149 L150	T143-N147 PolarHBondContact O-N 2.87Å; T143-N147 PolarHBondContact O-OD1 2.8Å; N147-H149 PolarHBondContact O-N 3.12Å; N147-L150 PolarHBondContact O-N 2.72Å; N147-L150 VanDerWaalsContact O-N 3.11Å
148	G	50.8	Low	61	Low	63 Å²	63	105.7 Å²	105.7	65%	0.649	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-12.8	177.6	0	0	0	0	0	115.1	A144	A144-G148 PolarHBondContact O-N 2.69Å
149	H	51.4	Low	59	Low	173 Å²	173	109.7 Å²	109.7	80%	0.801	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-0.6	173.2	-158.6	-78.9	0	0	0	112.8	N147	N147-H149 PolarHBondContact O-N 3.12Å
150	L	46	Very low	57	Low	113 Å²	113	106.5 Å²	106.5	59%	0.592	61%	0.614	S	S	*	*			trans	-105.9	53.6	-177.7	-166.6	66.7	0	0	0	112	N147	N147-L150 PolarHBondContact O-N 2.72Å; N147-L150 VanDerWaalsContact O-N 3.11Å
151	S	39.2	Very low	55.3	Low	113 Å²	113	108.4 Å²	108.4	79%	0.79	62%	0.624	S	S	*	*	S	Bend	trans	-106.3	8.9	158.6	-54.7	0	0	0	0	112.4
152	S	46.5	Very low	54.5	Low	100 Å²	100	107.8 Å²	107.8	70%	0.699	62%	0.624	S	S	*	*	S	Bend	trans	-147.4	83.3	177.9	-55.6	0	0	0	0	111.1
153	L	47.3	Very low	53.9	Low	149 Å²	149	114.1 Å²	114.1	78%	0.78	65%	0.65	S	S	*	*			trans	62.3	131.4	153.8	-64.5	162	0	0	0	119.7
154	Q	38.8	Very low	53.8	Low	155 Å²	155	110.3 Å²	110.3	72%	0.724	63%	0.626	S	S	*	*			trans	80.4	104.8	157.1	-73.1	166.2	-34.4	0	0	118.7	N156	Q154-N156 PolarHBondContact O-N 3.1Å
155	T	44.6	Very low	53	Low	136 Å²	136	113.6 Å²	113.6	83%	0.834	64%	0.642	S	S	*	*			trans	-11.5	110.4	145	44.8	0	0	0	0	114.5
156	N	35.3	Very low	52.3	Low	148 Å²	148	114.1 Å²	114.1	79%	0.791	65%	0.647	S	S	*	*			trans	-131.4	144.2	156.9	-93.8	-46.3	0	0	0	110	Q154	Q154-N156 PolarHBondContact O-N 3.1Å
157	P	39.3	Very low	51.6	Low	115 Å²	115	117.1 Å²	117.1	75%	0.747	67%	0.666	S	S	*	*			trans	-70.4	135.5	-169.1	-8.1	24.7	0	0	0	110.1	L159	P157-L159 PolarHBondContact O-N 2.77Å; P157-L159 VanDerWaalsContact O-N 3.1Å
158	L	46.9	Very low	51.2	Low	124 Å²	124	117.9 Å²	117.9	65%	0.649	67%	0.673	S	S	*	*			trans	-52.5	115.9	166.1	-63.3	171.9	0	0	0	108.5
159	L	51.8	Low	51.2	Low	156 Å²	156	121.2 Å²	121.2	82%	0.817	67%	0.674	S	S	*	*			trans	-62.2	143.9	174.9	-84	158	0	0	0	110	P157	P157-L159 PolarHBondContact O-N 2.77Å; P157-L159 VanDerWaalsContact O-N 3.1Å
160	P	52.3	Low	51.2	Low	104 Å²	104	117.9 Å²	117.9	68%	0.675	67%	0.666	S	S	*	*			trans	-65.2	150.2	-173.8	25.9	-32.8	0	0	0	111.9	Q162	P160-Q162 PolarHBondContact O-N 3.22Å
161	D	59.7	Low	51.6	Low	84 Å²	84	118.3 Å²	118.3	45%	0.449	67%	0.671	S	S	.	*			trans	-42.8	124.6	178.5	-73.2	-75.9	0	0	0	112.8	R127 H129	R127-D161 HydrophobicContact CG-CB 4.21Å; H129-D161 IonicContact CE1-OD1 3.48Å; H129-D161 PolarHBondContact CE1-OD1 3Å
162	Q	72.3	Confident	52.4	Low	71 Å²	71	118.6 Å²	118.6	33%	0.332	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.5	126	175.9	-62.8	-161.6	-51.3	0	0	109	R127 F128 P160	R127-Q162 WeakPolarHBondContact CA-O 3.45Å; F128-Q162 HydrophobicContact CD1-CB 4.1Å; F128-Q162 WeakPolarHBondContact CD1-O 3.4Å; F128-Q162 HydrophobicContact CE1-CB 3.68Å; F128-Q162 HydrophobicContact CZ-CB 3.94Å; F128-Q162 PolarHBondContact N-O 3.36Å; F128-Q162 VanDerWaalsContact N-O 3.1Å; P160-Q162 PolarHBondContact O-N 3.22Å
163	K	68.8	Low	52.9	Low	154 Å²	154	120.1 Å²	120.1	67%	0.67	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.9	129.6	171.9	-167.4	174.4	-177.1	-178.1	0	108.7	D126 C165	D126-K163 WeakPolarHBondContact O-CA 3.42Å; K163-C165 PolarHBondContact O-N 3.05Å
164	V	76.3	Confident	53.4	Low	9 Å²	9	117.7 Å²	117.7	6%	0.055	65%	0.65	C	S	.	*	P	Polyproline II helix	trans	-64.3	123.3	172.8	-174.9	0	0	0	0	108.6	M101 F113 L122 V123 P124 G125 D126 F128	M101-V164 HydrophobicContact CE-CG1 3.03Å; F113-V164 HydrophobicContact CE1-CG1 4.18Å; F113-V164 HydrophobicContact CE1-CG2 4.05Å; L122-V164 HydrophobicContact CB-CG2 4.39Å; V123-V164 VanDerWaalsContact O-CB 3.24Å; V123-V164 WeakPolarHBondContact O-CB 3.19Å; V123-V164 WeakPolarHBondContact O-CG1 3.46Å; P124-V164 WeakPolarHBondContact CA-O 3.39Å; P124-V164 HydrophobicContact CG-CG1 4.44Å; G125-V164 PolarHBondContact N-O 3.03Å; D126-V164 HydrophobicContact CB-CG2 4.04Å; D126-V164 WeakPolarHBondContact O-CG2 3.36Å; D126-V164 PolarHBondContact O-N 3.45Å; F128-V164 HydrophobicContact CD1-CG2 3.4Å; F128-V164 VanDerWaalsContact CD1-CG2 3.4Å; F128-V164 HydrophobicContact CE1-CG2 3.69Å; F128-V164 HydrophobicContact CG-CG2 4.33Å
165	C	54.5	Low	54.7	Low	156 Å²	156	114.3 Å²	114.3	100%	1.054	64%	0.643	S	S	*	*			trans	-98.8	0	177	58.5	0	0	0	0	112.9	K163	K163-C165 PolarHBondContact O-N 3.05Å

Retrieved 165 of 165 residues in 30.2 ms (Link to these results)

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