A0A096NHX0_PAPAN Loading...

Lactoylglutathione lyase

Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B. Required for normal osteoclastogenesis.

AlphaFold DB (Q4R5F2), UniProt , Accession A0A096NHX0, Species PAPAN (Papio anubis, Olive baboon), Gene GLO1, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.8	Low	66.4	Low	242 Å²	242	134.7 Å²	134.7	100%	1.192	84%	0.837	S	S	*	*				0	116.6	0	-68.8	-173.9	-75.1	0	0	106
2	A	54.5	Low	68.8	Low	102 Å²	102	130.3 Å²	130.3	84%	0.843	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.3	132.1	176.4	0	0	0	0	0	108.4
3	E	53	Low	70.9	Confident	184 Å²	184	130 Å²	130	86%	0.86	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.8	137	172.5	-74.8	-176.7	158	0	0	109.4	Q5	E3-Q5 PolarHBondContact O-N 2.68Å
4	P	59.7	Low	72.7	Confident	120 Å²	120	130.3 Å²	130.3	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.6	133.5	176.8	24.7	-31	0	0	0	109.8
5	Q	53.7	Low	74.3	Confident	187 Å²	187	123.9 Å²	123.9	87%	0.874	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-57.6	134.3	171.9	-81.7	-160.9	-31.5	0	0	109.6	E3	E3-Q5 PolarHBondContact O-N 2.68Å
6	P	54.9	Low	75.8	Confident	111 Å²	111	118.7 Å²	118.7	72%	0.721	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-58.7	150.8	173	23.4	-30.6	0	0	0	110.1	S8	P6-S8 PolarHBondContact O-N 2.93Å
7	P	60.5	Low	77	Confident	127 Å²	127	119.1 Å²	119.1	83%	0.825	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-51.3	135.5	177.7	21.4	-32	0	0	0	109.7	G9	P7-G9 PolarHBondContact O-N 3.36Å
8	S	70.3	Confident	78.2	Confident	133 Å²	133	117.8 Å²	117.8	93%	0.93	72%	0.72	S	S	*	*	S	Bend	trans	-59.1	94.6	-173.7	59.6	0	0	0	0	111.2	P6	P6-S8 PolarHBondContact O-N 2.93Å
9	G	87.6	Confident	79.2	Confident	66 Å²	66	117.1 Å²	117.1	68%	0.68	72%	0.719	S	S	*	*			trans	-109.6	175.3	168.6	0	0	0	0	0	110.7	P7	P7-G9 PolarHBondContact O-N 3.36Å
10	G	92	Very high	80.2	Confident	80 Å²	80	115.7 Å²	115.7	83%	0.825	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-67.3	163.7	170	0	0	0	0	0	112
11	L	93.8	Very high	81	Confident	130 Å²	130	115.7 Å²	115.7	68%	0.681	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.3	149	169.1	-60.5	178.4	0	0	0	110	A15 A16	L11-A15 HydrophobicContact CB-CB 4.34Å; L11-A15 HydrophobicContact CD2-CB 4.48Å; L11-A16 HydrophobicContact CB-CB 4.33Å; L11-A16 HydrophobicContact CD1-CB 4.4Å
12	T	94.9	Very high	83.3	Confident	81 Å²	81	112 Å²	112	50%	0.497	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-72.6	163.3	163	77.5	0	0	0	0	109.9	E14 A15 A16	T12-E14 VanDerWaalsContact C-N 3.26Å; T12-E14 WeakPolarHBondContact CB-OE2 3.48Å; T12-E14 PolarHBondContact O-N 2.87Å; T12-E14 PolarHBondContact OG1-N 3.42Å; T12-E14 PolarHBondContact OG1-OE2 2.95Å; T12-A15 PolarHBondContact O-N 3.43Å; T12-A15 PolarHBondContact OG1-N 3.34Å; T12-A15 VanDerWaalsContact OG1-N 3.13Å; T12-A16 WeakPolarHBondContact O-CB 3.5Å; T12-A16 PolarHBondContact O-N 2.65Å
13	D	95.6	Very high	85.4	Confident	127 Å²	127	111.1 Å²	111.1	68%	0.679	70%	0.695	S	S	*	*	H	α-helix	trans	-57.3	-40.9	176.7	-69.3	-4.9	0	0	0	111.3	A16 L17	D13-A16 PolarHBondContact O-N 3.3Å; D13-L17 WeakPolarHBondContact O-CB 3.46Å; D13-L17 VanDerWaalsContact O-CG 3.32Å; D13-L17 WeakPolarHBondContact O-CG 3.35Å; D13-L17 PolarHBondContact O-N 3.21Å
14	E	97	Very high	87.6	Confident	134 Å²	134	106.9 Å²	106.9	63%	0.626	68%	0.679	S	S	*	*	H	α-helix	trans	-68.6	-42.8	178	-55.9	74.9	-162.7	0	0	111.9	T12 A16 L17 S18	T12-E14 VanDerWaalsContact C-N 3.26Å; T12-E14 WeakPolarHBondContact CB-OE2 3.48Å; T12-E14 PolarHBondContact O-N 2.87Å; T12-E14 PolarHBondContact OG1-N 3.42Å; T12-E14 PolarHBondContact OG1-OE2 2.95Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 2.69Å; E14-L17 PolarHBondContact O-N 3.19Å; E14-S18 WeakPolarHBondContact O-CB 3.39Å; E14-S18 PolarHBondContact O-N 3.19Å
15	A	96.9	Very high	89.4	Confident	35 Å²	35	106 Å²	106	29%	0.289	67%	0.673	S	S	.	*	H	α-helix	trans	-63.6	-40.1	177.4	0	0	0	0	0	111	L11 T12 S18 C19	L11-A15 HydrophobicContact CB-CB 4.34Å; L11-A15 HydrophobicContact CD2-CB 4.48Å; T12-A15 PolarHBondContact O-N 3.43Å; T12-A15 PolarHBondContact OG1-N 3.34Å; T12-A15 VanDerWaalsContact OG1-N 3.13Å; A15-S18 PolarHBondContact O-OG 3.36Å; A15-C19 PolarHBondContact O-SG 3.24Å; A15-C19 VanDerWaalsContact O-SG 3.4Å
16	A	97.4	Very high	91.5	Very high	40 Å²	40	101.3 Å²	101.3	33%	0.331	66%	0.661	S	S	.	*	H	α-helix	trans	-63.5	-51.3	174.6	0	0	0	0	0	111.7	L11 T12 D13 E14 S18 C19	L11-A16 HydrophobicContact CB-CB 4.33Å; L11-A16 HydrophobicContact CD1-CB 4.4Å; T12-A16 WeakPolarHBondContact O-CB 3.5Å; T12-A16 PolarHBondContact O-N 2.65Å; D13-A16 PolarHBondContact O-N 3.3Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 2.69Å; A16-S18 VanDerWaalsContact C-N 3.27Å; A16-S18 PolarHBondContact O-N 3.37Å; A16-C19 WeakPolarHBondContact O-CB 3.32Å; A16-C19 PolarHBondContact O-N 3.29Å; A16-C19 VanDerWaalsContact O-N 3.1Å
17	L	97.4	Very high	93.6	Very high	126 Å²	126	98.3 Å²	98.3	66%	0.66	64%	0.64	S	S	*	*	H	α-helix	trans	-62	-33.5	178.9	-73.9	171.2	0	0	0	112.7	D13 E14 C19 C20	D13-L17 WeakPolarHBondContact O-CB 3.46Å; D13-L17 VanDerWaalsContact O-CG 3.32Å; D13-L17 WeakPolarHBondContact O-CG 3.35Å; D13-L17 PolarHBondContact O-N 3.21Å; E14-L17 PolarHBondContact O-N 3.19Å; L17-C19 PolarHBondContact O-N 3.29Å; L17-C20 WeakPolarHBondContact O-CB 3.49Å; L17-C20 PolarHBondContact O-N 2.98Å
18	S	97.5	Very high	95.4	Very high	96 Å²	96	99.4 Å²	99.4	67%	0.671	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-17.8	177.5	76.1	0	0	0	0	114.1	E14 A15 A16	E14-S18 WeakPolarHBondContact O-CB 3.39Å; E14-S18 PolarHBondContact O-N 3.19Å; A15-S18 PolarHBondContact O-OG 3.36Å; A16-S18 VanDerWaalsContact C-N 3.27Å; A16-S18 PolarHBondContact O-N 3.37Å
19	C	97.6	Very high	96.8	Very high	103 Å²	103	98.8 Å²	98.8	70%	0.696	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-4.1	175.6	-63.1	0	0	0	0	112.9	A15 A16 L17	A15-C19 PolarHBondContact O-SG 3.24Å; A15-C19 VanDerWaalsContact O-SG 3.4Å; A16-C19 WeakPolarHBondContact O-CB 3.32Å; A16-C19 PolarHBondContact O-N 3.29Å; A16-C19 VanDerWaalsContact O-N 3.1Å; L17-C19 PolarHBondContact O-N 3.29Å
20	C	98.1	Very high	97.3	Very high	90 Å²	90	103.3 Å²	103.3	61%	0.608	62%	0.62	S	S	*	*			trans	-93	146.4	179.6	-62.1	0	0	0	0	111.3	L17	L17-C20 WeakPolarHBondContact O-CB 3.49Å; L17-C20 PolarHBondContact O-N 2.98Å
21	S	98.4	Very high	97.6	Very high	116 Å²	116	103.4 Å²	103.4	81%	0.811	60%	0.601	S	S	*	*			trans	-119.7	151.8	174.7	-60.1	0	0	0	0	110.1
22	D	98.5	Very high	97.9	Very high	165 Å²	165	103.7 Å²	103.7	88%	0.882	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-59.9	145.7	166.3	-67.9	-40.1	0	0	0	110.3	D24	D22-D24 PolarHBondContact O-N 3.37Å
23	A	98.4	Very high	98	Very high	82 Å²	82	101 Å²	101	68%	0.678	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-68.8	130.1	177.4	0	0	0	0	0	110.7
24	D	98.6	Very high	98.2	Very high	95 Å²	95	98.8 Å²	98.8	51%	0.508	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-63.4	139.1	174.5	-175.6	-81.3	0	0	0	110.4	D22 S26 T27	D22-D24 PolarHBondContact O-N 3.37Å; D24-S26 PolarHBondContact O-N 2.98Å; D24-S26 WeakPolarHBondContact OD1-CB 3.41Å; D24-S26 PolarHBondContact OD1-N 2.9Å; D24-S26 PolarHBondContact OD1-OG 2.86Å; D24-T27 HydrophobicContact CB-CG2 4.48Å; D24-T27 PolarHBondContact O-N 2.92Å; D24-T27 PolarHBondContact O-OG1 2.98Å
25	P	98.5	Very high	98.3	Very high	102 Å²	102	95 Å²	95	66%	0.662	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-54.2	-25.4	-179.7	-28.3	35.8	0	0	0	114.8	T27 K28	P25-T27 VanDerWaalsContact C-N 3.27Å; P25-T27 PolarHBondContact O-N 2.75Å; P25-K28 WeakPolarHBondContact O-CB 3.41Å; P25-K28 WeakPolarHBondContact O-CD 3.43Å; P25-K28 VanDerWaalsContact O-CG 3.25Å; P25-K28 WeakPolarHBondContact O-CG 3.45Å; P25-K28 PolarHBondContact O-N 2.8Å
26	S	98.5	Very high	98.4	Very high	88 Å²	88	96.8 Å²	96.8	62%	0.615	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-69.4	-20.2	175.8	66.3	0	0	0	0	114	D24	D24-S26 PolarHBondContact O-N 2.98Å; D24-S26 WeakPolarHBondContact OD1-CB 3.41Å; D24-S26 PolarHBondContact OD1-N 2.9Å; D24-S26 PolarHBondContact OD1-OG 2.86Å
27	T	98.6	Very high	98.4	Very high	48 Å²	48	95.2 Å²	95.2	29%	0.294	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-94.9	2.7	179.1	71.5	0	0	0	0	113.1	D24 P25 D29 F30	D24-T27 HydrophobicContact CB-CG2 4.48Å; D24-T27 PolarHBondContact O-N 2.92Å; D24-T27 PolarHBondContact O-OG1 2.98Å; P25-T27 VanDerWaalsContact C-N 3.27Å; P25-T27 PolarHBondContact O-N 2.75Å; T27-D29 PolarHBondContact O-N 3.03Å; T27-D29 VanDerWaalsContact O-N 3.08Å; T27-F30 HydrophobicContact CG2-CD2 4.05Å; T27-F30 HydrophobicContact CG2-CE2 3.85Å; T27-F30 HydrophobicContact CG2-CZ 4.33Å; T27-F30 WeakPolarHBondContact O-CB 3.33Å; T27-F30 PolarHBondContact O-N 3.29Å
28	K	98.5	Very high	98.5	Very high	150 Å²	150	94.8 Å²	94.8	65%	0.652	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.1	-172.6	73.1	-180	-177.4	60.5	0	114.7	P25	P25-K28 WeakPolarHBondContact O-CB 3.41Å; P25-K28 WeakPolarHBondContact O-CD 3.43Å; P25-K28 VanDerWaalsContact O-CG 3.25Å; P25-K28 WeakPolarHBondContact O-CG 3.45Å; P25-K28 PolarHBondContact O-N 2.8Å
29	D	98.5	Very high	98.6	Very high	120 Å²	120	90.2 Å²	90.2	64%	0.642	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	5.4	-179.6	-55.2	-44.8	0	0	0	112.5	T27	T27-D29 PolarHBondContact O-N 3.03Å; T27-D29 VanDerWaalsContact O-N 3.08Å
30	F	98.8	Very high	98.6	Very high	161 Å²	161	87.4 Å²	87.4	71%	0.706	48%	0.479	S	S	*	.			trans	-68.1	147	173.3	-73.3	10.2	0	0	0	110.1	T27	T27-F30 HydrophobicContact CG2-CD2 4.05Å; T27-F30 HydrophobicContact CG2-CE2 3.85Å; T27-F30 HydrophobicContact CG2-CZ 4.33Å; T27-F30 WeakPolarHBondContact O-CB 3.33Å; T27-F30 PolarHBondContact O-N 3.29Å
31	L	98.7	Very high	98.7	Very high	82 Å²	82	84.3 Å²	84.3	43%	0.429	46%	0.456	S	S	.	.			trans	-141.9	143.6	178.1	65.6	95.1	0	0	0	110.6	Q33 K96	L31-Q33 HydrophobicContact CD1-CB 3.5Å; L31-Q33 VanDerWaalsContact CD1-CB 3.5Å; L31-Q33 HydrophobicContact CD1-CG 3.73Å; L31-Q33 PolarHBondContact O-N 2.98Å; L31-Q33 VanDerWaalsContact O-N 3.08Å; L31-K96 HydrophobicContact CB-CG 4.29Å; L31-K96 HydrophobicContact CD1-CG 4.11Å
32	L	98.7	Very high	98.7	Very high	137 Å²	137	79.2 Å²	79.2	72%	0.717	42%	0.42	S	S	*	.			trans	-75.8	97.2	171	-177.6	60.6	0	0	0	109	A97	L32-A97 PolarHBondContact O-N 3.48Å; L32-A97 VanDerWaalsContact O-N 3.16Å
33	Q	98.7	Very high	98.7	Very high	24 Å²	24	79.3 Å²	79.3	11%	0.112	41%	0.413	C	S	.	.			trans	-85	-49.5	-167.1	-161.6	-74.2	-59.1	0	0	112.1	L31 L93 R95 A97 T98	L31-Q33 HydrophobicContact CD1-CB 3.5Å; L31-Q33 VanDerWaalsContact CD1-CB 3.5Å; L31-Q33 HydrophobicContact CD1-CG 3.73Å; L31-Q33 PolarHBondContact O-N 2.98Å; L31-Q33 VanDerWaalsContact O-N 3.08Å; Q33-L93 WeakPolarHBondContact CG-O 3.36Å; Q33-R95 WeakPolarHBondContact CG-O 3.48Å; Q33-R95 PolarHBondContact NE2-O 2.78Å; Q33-A97 PolarHBondContact O-N 3.09Å; Q33-T98 PolarHBondContact NE2-OG1 3.39Å; Q33-T98 PolarHBondContact O-N 3.36Å; Q33-T98 PolarHBondContact O-OG1 2.95Å
34	Q	98.7	Very high	98.7	Very high	80 Å²	80	81.1 Å²	81.1	37%	0.374	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.5	-169.1	59.4	-170.5	-110.8	0	0	112.3	T98 E100	Q34-T98 CarbonylContact C-O 3.56Å; Q34-T98 VanDerWaalsContact CA-O 3.3Å; Q34-T98 WeakPolarHBondContact CA-O 3.12Å; Q34-T98 WeakPolarHBondContact CB-OG1 3.2Å; Q34-E100 PolarHBondContact OE1-OE2 3.43Å
35	T	98.8	Very high	98.7	Very high	56 Å²	56	76.6 Å²	76.6	34%	0.344	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.1	154.1	-63.4	0	0	0	0	107	T98 L99 E100 I128	T35-T98 PolarHBondContact N-O 2.76Å; T35-L99 HydrophobicContact CG2-CD1 4.49Å; T35-L99 WeakPolarHBondContact O-CA 3.32Å; T35-E100 PolarHBondContact O-N 3.25Å; T35-I128 HydrophobicContact CG2-CG2 4.05Å
36	M	98.8	Very high	98.7	Very high	71 Å²	71	73.5 Å²	73.5	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.5	178.2	-175.9	-84.1	-90.9	0	0	111.1	R38 E100 T102	M36-R38 HydrophobicContact SD-CG 4.05Å; M36-E100 CarbonylContact C-O 3.57Å; M36-E100 VanDerWaalsContact CA-O 3.24Å; M36-E100 WeakPolarHBondContact CA-O 3.24Å; M36-E100 HydrophobicContact CB-CB 4.08Å; M36-E100 HydrophobicContact CB-CG 4.46Å; M36-E100 HydrophobicContact CG-CB 4.13Å; M36-E100 HydrophobicContact CG-CG 4.02Å; M36-T102 VanDerWaalsContact CG-OG1 3.24Å; M36-T102 WeakPolarHBondContact CG-OG1 3.3Å; M36-T102 PolarHBondContact SD-OG1 2.99Å
37	L	98.8	Very high	98.8	Very high	8 Å²	8	72.6 Å²	72.6	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.6	170.2	-59.9	179.3	0	0	0	109.1	L99 E100 L101 T102 F125 Y170	L37-L99 HydrophobicContact CD1-CD1 3.91Å; L37-L99 HydrophobicContact CG-CD1 4Å; L37-E100 PolarHBondContact N-O 3.3Å; L37-L101 HydrophobicContact CB-CD2 4.31Å; L37-L101 CarbonylContact O-C 3.51Å; L37-L101 WeakPolarHBondContact O-CA 3.13Å; L37-T102 PolarHBondContact O-N 2.85Å; L37-F125 HydrophobicContact CD2-CE1 4.03Å; L37-F125 HydrophobicContact CD2-CE2 4.36Å; L37-F125 HydrophobicContact CD2-CZ 3.92Å; L37-Y170 HydrophobicContact CB-CD2 4.3Å; L37-Y170 HydrophobicContact CB-CE2 3.97Å; L37-Y170 HydrophobicContact CD1-CD2 3.95Å; L37-Y170 HydrophobicContact CD1-CE2 4.42Å; L37-Y170 HydrophobicContact CD1-CG 4Å; L37-Y170 HydrophobicContact CD2-CD1 4.18Å; L37-Y170 HydrophobicContact CD2-CE1 4.07Å; L37-Y170 HydrophobicContact CD2-CG 4.45Å
38	R	98.9	Very high	98.8	Very high	117 Å²	117	71 Å²	71	44%	0.442	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.3	172.8	-66.7	179.8	175.6	72.9	1	109.2	M36 T102 Y115 Y170	M36-R38 HydrophobicContact SD-CG 4.05Å; R38-T102 CarbonylContact C-O 3.5Å; R38-T102 WeakPolarHBondContact CA-O 3.24Å; R38-Y115 HydrophobicContact CB-CD1 3.74Å; R38-Y115 HydrophobicContact CB-CD2 3.96Å; R38-Y115 HydrophobicContact CB-CE1 3.47Å; R38-Y115 VanDerWaalsContact CB-CE1 3.47Å; R38-Y115 HydrophobicContact CB-CE2 3.71Å; R38-Y115 HydrophobicContact CB-CG 3.97Å; R38-Y115 VanDerWaalsContact CB-CZ 3.44Å; R38-Y115 VanDerWaalsContact CD-CE1 3.46Å; R38-Y115 HydrophobicContact CG-CE1 4.11Å; R38-Y115 WeakPolarHBondContact O-CD2 3.42Å; R38-Y170 VanDerWaalsContact O-CE2 3.27Å; R38-Y170 WeakPolarHBondContact O-CE2 3.27Å; R38-Y170 PolarHBondContact O-OH 3.24Å
39	V	98.9	Very high	98.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.305	C	S	.	.			trans	-120	136.2	-178.9	-65.2	0	0	0	0	111.1	P42 S45 L101 T102 H103 Y115 D168	V39-P42 HydrophobicContact CG2-CB 4.48Å; V39-S45 WeakPolarHBondContact CB-OG 3.5Å; V39-S45 WeakPolarHBondContact CG1-OG 3.47Å; V39-L101 HydrophobicContact CG1-CB 3.97Å; V39-L101 HydrophobicContact CG1-CD1 4.3Å; V39-L101 HydrophobicContact CG1-CD2 3.82Å; V39-L101 HydrophobicContact CG1-CG 4.25Å; V39-L101 HydrophobicContact CG2-CB 3.99Å; V39-T102 PolarHBondContact N-O 2.84Å; V39-H103 HydrophobicContact CG2-CB 4.3Å; V39-Y115 WeakPolarHBondContact O-CE2 3.35Å; V39-D168 WeakPolarHBondContact CA-OD2 3.47Å; V39-D168 WeakPolarHBondContact CB-OD2 3.41Å
40	K	98.8	Very high	98.8	Very high	44 Å²	44	60.7 Å²	60.7	19%	0.191	29%	0.29	C	S	.	.	S	Bend	trans	-71.2	-46.6	-178	176.1	178.6	178	69.3	0	111.1	T107 E108 D110 Q113 Y115 D168	K40-T107 WeakPolarHBondContact CE-O 3.15Å; K40-T107 WeakPolarHBondContact CG-O 3.34Å; K40-T107 PolarHBondContact NZ-O 3.08Å; K40-T107 CarbonylContact O-C 3.53Å; K40-T107 PolarHBondContact O-OG1 2.99Å; K40-E108 WeakPolarHBondContact O-CA 3.29Å; K40-E108 PolarHBondContact O-N 3.49Å; K40-E108 VanDerWaalsContact O-N 3.09Å; K40-D110 PolarHBondContact NZ-O 2.8Å; K40-Q113 WeakPolarHBondContact CE-O 3.09Å; K40-Q113 PolarHBondContact NZ-O 3.48Å; K40-Y115 HydrophobicContact CB-CD2 4.37Å; K40-Y115 HydrophobicContact CB-CE2 4.41Å; K40-D168 WeakPolarHBondContact CB-OD1 3.29Å; K40-D168 PolarHBondContact N-OD1 2.9Å; K40-D168 PolarHBondContact N-OD2 2.89Å
41	D	98.8	Very high	98.8	Very high	25 Å²	25	58.6 Å²	58.6	13%	0.134	28%	0.277	C	S	.	.			trans	-132.2	102	-176.5	178.9	-8.7	0	0	0	109.4	K43 K44 S45 E108	D41-K43 PolarHBondContact O-N 2.57Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-K43 VanDerWaalsContact OD1-CB 3.31Å; D41-K43 WeakPolarHBondContact OD1-CB 3.36Å; D41-K43 PolarHBondContact OD1-N 2.67Å; D41-K44 HydrophobicContact CB-CB 4.45Å; D41-K44 HydrophobicContact CB-CD 4.07Å; D41-K44 HydrophobicContact CB-CG 4.31Å; D41-K44 PolarHBondContact O-N 2.64Å; D41-K44 VanDerWaalsContact O-N 3.14Å; D41-K44 WeakPolarHBondContact OD2-CD 3.43Å; D41-K44 WeakPolarHBondContact OD2-CE 3.38Å; D41-K44 WeakPolarHBondContact OD2-CG 3.45Å; D41-K44 IonicContact OD2-NZ 2.76Å; D41-K44 PolarHBondContact OD2-NZ 2.85Å; D41-S45 PolarHBondContact O-N 3.3Å; D41-S45 PolarHBondContact O-OG 3.14Å; D41-E108 HydrophobicContact CB-CB 4.02Å
42	P	98.8	Very high	98.8	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-21.5	-176	27.4	-36.6	0	0	0	112.6	V39 L46 Y71 H103	V39-P42 HydrophobicContact CG2-CB 4.48Å; P42-L46 WeakPolarHBondContact O-CB 3.28Å; P42-L46 WeakPolarHBondContact O-CD1 3.4Å; P42-L46 WeakPolarHBondContact O-CG 3.16Å; P42-L46 PolarHBondContact O-N 2.8Å; P42-Y71 HydrophobicContact CB-CD2 4.21Å; P42-Y71 HydrophobicContact CB-CE2 3.61Å; P42-Y71 HydrophobicContact CG-CE2 4.23Å; P42-H103 HydrophobicContact CB-CB 4.31Å; P42-H103 HydrophobicContact CG-CB 4.19Å
43	K	98.9	Very high	98.8	Very high	167 Å²	167	49 Å²	49	73%	0.726	23%	0.227	S	C	*	.	H	α-helix	trans	-66.4	-44.3	177	-61.9	173.4	-176.1	165.2	0	110.7	D41 D47	D41-K43 PolarHBondContact O-N 2.57Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-K43 VanDerWaalsContact OD1-CB 3.31Å; D41-K43 WeakPolarHBondContact OD1-CB 3.36Å; D41-K43 PolarHBondContact OD1-N 2.67Å; K43-D47 WeakPolarHBondContact O-CB 3.45Å; K43-D47 PolarHBondContact O-N 3.34Å; K43-D47 VanDerWaalsContact O-N 3.12Å
44	K	98.8	Very high	98.8	Very high	120 Å²	120	50.1 Å²	50.1	52%	0.522	25%	0.246	S	C	.	.	H	α-helix	trans	-66.8	-45.5	177.2	-66.9	174.6	-173.5	158.4	0	110.7	D41 D47 F48 P167	D41-K44 HydrophobicContact CB-CB 4.45Å; D41-K44 HydrophobicContact CB-CD 4.07Å; D41-K44 HydrophobicContact CB-CG 4.31Å; D41-K44 PolarHBondContact O-N 2.64Å; D41-K44 VanDerWaalsContact O-N 3.14Å; D41-K44 WeakPolarHBondContact OD2-CD 3.43Å; D41-K44 WeakPolarHBondContact OD2-CE 3.38Å; D41-K44 WeakPolarHBondContact OD2-CG 3.45Å; D41-K44 IonicContact OD2-NZ 2.76Å; D41-K44 PolarHBondContact OD2-NZ 2.85Å; K44-D47 PolarHBondContact O-N 3.2Å; K44-F48 WeakPolarHBondContact O-CB 3.46Å; K44-F48 PolarHBondContact O-N 3.5Å; K44-P167 HydrophobicContact CB-CB 3.85Å; K44-P167 HydrophobicContact CB-CG 4.02Å
45	S	98.9	Very high	98.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-43.6	-177.9	-44.4	0	0	0	0	111.3	V39 D41 D47 F48 Y49 D168	V39-S45 WeakPolarHBondContact CB-OG 3.5Å; V39-S45 WeakPolarHBondContact CG1-OG 3.47Å; D41-S45 PolarHBondContact O-N 3.3Å; D41-S45 PolarHBondContact O-OG 3.14Å; S45-D47 PolarHBondContact O-N 3.06Å; S45-F48 PolarHBondContact O-N 2.67Å; S45-Y49 WeakPolarHBondContact O-CD2 3.49Å; S45-Y49 PolarHBondContact O-N 3.33Å; S45-D168 PolarHBondContact OG-OD2 3.28Å
46	L	98.9	Very high	98.8	Very high	38 Å²	38	46.1 Å²	46.1	20%	0.199	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-45.3	174.8	-72.8	170.4	0	0	0	112.2	P42 F48 T50 L57 Y71 L73	P42-L46 WeakPolarHBondContact O-CB 3.28Å; P42-L46 WeakPolarHBondContact O-CD1 3.4Å; P42-L46 WeakPolarHBondContact O-CG 3.16Å; P42-L46 PolarHBondContact O-N 2.8Å; L46-F48 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 3.3Å; L46-T50 VanDerWaalsContact O-CB 3.32Å; L46-T50 WeakPolarHBondContact O-CB 3.43Å; L46-T50 VanDerWaalsContact O-CG2 3.29Å; L46-T50 WeakPolarHBondContact O-CG2 3.5Å; L46-T50 PolarHBondContact O-N 3.01Å; L46-T50 PolarHBondContact O-OG1 3.35Å; L46-L57 HydrophobicContact CD2-CD1 4.09Å; L46-L57 HydrophobicContact CD2-CD2 4.22Å; L46-Y71 HydrophobicContact CD1-CD1 3.84Å; L46-Y71 HydrophobicContact CD1-CE1 3.81Å; L46-Y71 HydrophobicContact CD2-CD1 4.04Å; L46-Y71 HydrophobicContact CD2-CG 4.39Å; L46-Y71 HydrophobicContact CG-CD1 4.33Å; L46-L73 HydrophobicContact CD2-CD1 4.4Å; L46-L73 HydrophobicContact CD2-CD2 4.03Å
47	D	98.9	Very high	98.8	Very high	68 Å²	68	45.7 Å²	45.7	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-47.1	175.3	175.7	68.5	0	0	0	111.1	K43 K44 S45 R51	K43-D47 WeakPolarHBondContact O-CB 3.45Å; K43-D47 PolarHBondContact O-N 3.34Å; K43-D47 VanDerWaalsContact O-N 3.12Å; K44-D47 PolarHBondContact O-N 3.2Å; S45-D47 PolarHBondContact O-N 3.06Å; D47-R51 WeakPolarHBondContact O-CA 3.11Å; D47-R51 WeakPolarHBondContact O-CB 3.31Å; D47-R51 PolarHBondContact O-N 3.18Å; D47-R51 WeakPolarHBondContact OD1-CD 3.28Å; D47-R51 IonicContact OD1-CZ 3.3Å; D47-R51 IonicContact OD1-NE 3.79Å; D47-R51 PolarHBondContact OD1-NE 3.42Å; D47-R51 IonicContact OD1-NH2 2.64Å; D47-R51 IonicContact OD2-CZ 3.25Å; D47-R51 IonicContact OD2-NE 3.5Å; D47-R51 PolarHBondContact OD2-NE 3.35Å; D47-R51 IonicContact OD2-NH2 2.67Å; D47-R51 PolarHBondContact OD2-NH2 2.89Å
48	F	98.9	Very high	98.8	Very high	16 Å²	16	45.3 Å²	45.3	7%	0.07	22%	0.222	C	C	.	.	I	π-helix	trans	-60.8	-57	178.6	179.7	-94.5	0	0	0	112.2	K44 S45 L46 T50 V52 L53 V147 I164 Q165 D166 P167 I172	K44-F48 WeakPolarHBondContact O-CB 3.46Å; K44-F48 PolarHBondContact O-N 3.5Å; S45-F48 PolarHBondContact O-N 2.67Å; L46-F48 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 3.3Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 3.21Å; F48-V52 HydrophobicContact CD2-CB 4.08Å; F48-V52 HydrophobicContact CD2-CG1 4.34Å; F48-V52 HydrophobicContact CD2-CG2 4Å; F48-V52 HydrophobicContact CE2-CB 4.33Å; F48-V52 HydrophobicContact CE2-CG1 4.11Å; F48-V52 WeakPolarHBondContact O-CA 3.18Å; F48-V52 WeakPolarHBondContact O-CB 3.45Å; F48-V52 PolarHBondContact O-N 3.14Å; F48-L53 HydrophobicContact CD1-CD1 4.03Å; F48-L53 HydrophobicContact CD1-CG 4.49Å; F48-L53 HydrophobicContact CE1-CD1 3.39Å; F48-L53 HydrophobicContact CE1-CG 4Å; F48-L53 HydrophobicContact CZ-CD1 4.06Å; F48-L53 HydrophobicContact CZ-CG 4.33Å; F48-L53 PolarHBondContact O-N 2.98Å; F48-L53 VanDerWaalsContact O-N 3.08Å; F48-V147 HydrophobicContact CE2-CG1 4.25Å; F48-I164 HydrophobicContact CZ-CD1 4.07Å; F48-Q165 WeakPolarHBondContact CE2-O 3.39Å; F48-Q165 WeakPolarHBondContact CZ-O 3.42Å; F48-D166 HydrophobicContact CD1-CB 3.88Å; F48-D166 HydrophobicContact CE1-CB 3.58Å; F48-D166 HydrophobicContact CZ-CB 4.12Å; F48-P167 HydrophobicContact CB-CG 3.71Å; F48-P167 HydrophobicContact CD2-CG 4.5Å; F48-P167 HydrophobicContact CG-CG 4.1Å; F48-I172 HydrophobicContact CE1-CD1 3.64Å; F48-I172 HydrophobicContact CZ-CD1 4.11Å
49	Y	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-65.9	-32.1	-175	-73.9	-70.8	0	0	0	112.7	S45 L53 G54 M55 L99 L101 I128 D166 I172	S45-Y49 WeakPolarHBondContact O-CD2 3.49Å; S45-Y49 PolarHBondContact O-N 3.33Å; Y49-L53 HydrophobicContact CD1-CD1 3.63Å; Y49-L53 HydrophobicContact CE1-CD1 3.9Å; Y49-L53 CarbonylContact O-C 3.11Å; Y49-L53 WeakPolarHBondContact O-CB 3.31Å; Y49-G54 PolarHBondContact O-N 3.11Å; Y49-M55 HydrophobicContact CD1-CE 4.28Å; Y49-M55 HydrophobicContact CD1-SD 3.81Å; Y49-M55 HydrophobicContact CG-SD 4.4Å; Y49-M55 VanDerWaalsContact O-CB 3.3Å; Y49-M55 WeakPolarHBondContact O-CB 3.34Å; Y49-M55 PolarHBondContact O-N 2.85Å; Y49-L99 HydrophobicContact CD1-CD2 3.74Å; Y49-L99 HydrophobicContact CD2-CD2 4.44Å; Y49-L99 HydrophobicContact CE1-CD2 3.31Å; Y49-L99 HydrophobicContact CE2-CD2 4.09Å; Y49-L99 HydrophobicContact CG-CD2 4.31Å; Y49-L99 VanDerWaalsContact CZ-CD2 3.5Å; Y49-L101 HydrophobicContact CD2-CD1 3.55Å; Y49-L101 HydrophobicContact CD2-CD2 4.42Å; Y49-L101 HydrophobicContact CE2-CD1 3.81Å; Y49-L101 HydrophobicContact CE2-CD2 3.9Å; Y49-L101 HydrophobicContact CG-CD1 4.47Å; Y49-I128 HydrophobicContact CE1-CD1 4.28Å; Y49-D166 HydrophobicContact CE2-CB 4.41Å; Y49-D166 PolarHBondContact OH-OD2 3.23Å; Y49-D166 VanDerWaalsContact OH-OD2 3.07Å; Y49-I172 HydrophobicContact CE1-CD1 3.92Å
50	T	98.8	Very high	98.8	Very high	52 Å²	52	44.5 Å²	44.5	32%	0.319	22%	0.223	S	C	.	.	I	π-helix	trans	-86	-57.4	178.8	64.2	0	0	0	0	112.6	L46 F48 G54 M55 L73	L46-T50 VanDerWaalsContact O-CB 3.32Å; L46-T50 WeakPolarHBondContact O-CB 3.43Å; L46-T50 VanDerWaalsContact O-CG2 3.29Å; L46-T50 WeakPolarHBondContact O-CG2 3.5Å; L46-T50 PolarHBondContact O-N 3.01Å; L46-T50 PolarHBondContact O-OG1 3.35Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 3.21Å; T50-G54 WeakPolarHBondContact O-CA 3.27Å; T50-G54 PolarHBondContact O-N 2.82Å; T50-M55 WeakPolarHBondContact CA-O 3.24Å; T50-M55 WeakPolarHBondContact CG2-O 3.49Å; T50-L73 HydrophobicContact CG2-CD1 3.84Å
51	R	98.8	Very high	98.8	Very high	117 Å²	117	43.7 Å²	43.7	44%	0.442	22%	0.222	S	C	.	.	I	π-helix	trans	-75	-43.8	-175.2	-175.2	-178.9	58.2	77.4	3.7	112.4	D47 R141	D47-R51 WeakPolarHBondContact O-CA 3.11Å; D47-R51 WeakPolarHBondContact O-CB 3.31Å; D47-R51 PolarHBondContact O-N 3.18Å; D47-R51 WeakPolarHBondContact OD1-CD 3.28Å; D47-R51 IonicContact OD1-CZ 3.3Å; D47-R51 IonicContact OD1-NE 3.79Å; D47-R51 PolarHBondContact OD1-NE 3.42Å; D47-R51 IonicContact OD1-NH2 2.64Å; D47-R51 IonicContact OD2-CZ 3.25Å; D47-R51 IonicContact OD2-NE 3.5Å; D47-R51 PolarHBondContact OD2-NE 3.35Å; D47-R51 IonicContact OD2-NH2 2.67Å; D47-R51 PolarHBondContact OD2-NH2 2.89Å; R51-R141 PolarHBondContact O-NH2 2.96Å
52	V	98.8	Very high	98.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.235	C	C	.	.	I	π-helix	trans	-79.6	-48.3	-178.6	-177.3	0	0	0	0	110.1	F48 R141 F142 L145 V147	F48-V52 HydrophobicContact CD2-CB 4.08Å; F48-V52 HydrophobicContact CD2-CG1 4.34Å; F48-V52 HydrophobicContact CD2-CG2 4Å; F48-V52 HydrophobicContact CE2-CB 4.33Å; F48-V52 HydrophobicContact CE2-CG1 4.11Å; F48-V52 WeakPolarHBondContact O-CA 3.18Å; F48-V52 WeakPolarHBondContact O-CB 3.45Å; F48-V52 PolarHBondContact O-N 3.14Å; V52-R141 PolarHBondContact O-NH1 2.9Å; V52-F142 HydrophobicContact CG1-CD1 3.81Å; V52-F142 HydrophobicContact CG1-CE1 4.01Å; V52-L145 HydrophobicContact CG1-CD1 4.35Å; V52-L145 HydrophobicContact CG2-CD1 4.41Å; V52-V147 HydrophobicContact CG1-CG2 3.55Å
53	L	98.8	Very high	98.7	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.068	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-11.4	-172.8	-64.2	177.5	0	0	0	115.3	F48 Y49 Y75 I130 F142 I164 I172	F48-L53 HydrophobicContact CD1-CD1 4.03Å; F48-L53 HydrophobicContact CD1-CG 4.49Å; F48-L53 HydrophobicContact CE1-CD1 3.39Å; F48-L53 HydrophobicContact CE1-CG 4Å; F48-L53 HydrophobicContact CZ-CD1 4.06Å; F48-L53 HydrophobicContact CZ-CG 4.33Å; F48-L53 PolarHBondContact O-N 2.98Å; F48-L53 VanDerWaalsContact O-N 3.08Å; Y49-L53 HydrophobicContact CD1-CD1 3.63Å; Y49-L53 HydrophobicContact CE1-CD1 3.9Å; Y49-L53 CarbonylContact O-C 3.11Å; Y49-L53 WeakPolarHBondContact O-CB 3.31Å; L53-Y75 WeakPolarHBondContact O-CE1 3.16Å; L53-Y75 PolarHBondContact O-OH 3.43Å; L53-I130 HydrophobicContact CB-CD1 4.43Å; L53-I130 HydrophobicContact CD1-CD1 3.76Å; L53-I130 HydrophobicContact CD2-CD1 3.9Å; L53-I130 HydrophobicContact CG-CD1 4.25Å; L53-F142 HydrophobicContact CD2-CE1 3.99Å; L53-F142 HydrophobicContact CD2-CZ 3.9Å; L53-I164 HydrophobicContact CD2-CD1 3.99Å; L53-I172 HydrophobicContact CD1-CD1 3.78Å
54	G	98.7	Very high	98.7	Very high	49 Å²	49	45.8 Å²	45.8	51%	0.505	24%	0.242	S	C	.	.			trans	78	18.2	176.7	0	0	0	0	0	114.5	Y49 T50	Y49-G54 PolarHBondContact O-N 3.11Å; T50-G54 WeakPolarHBondContact O-CA 3.27Å; T50-G54 PolarHBondContact O-N 2.82Å
55	M	98.9	Very high	98.7	Very high	19 Å²	19	45.1 Å²	45.1	9%	0.094	26%	0.259	C	S	.	.			trans	-77.2	161.8	173.3	-59.7	-177.5	176.6	0	0	111.5	Y49 T50 L73 Y75 I130	Y49-M55 HydrophobicContact CD1-CE 4.28Å; Y49-M55 HydrophobicContact CD1-SD 3.81Å; Y49-M55 HydrophobicContact CG-SD 4.4Å; Y49-M55 VanDerWaalsContact O-CB 3.3Å; Y49-M55 WeakPolarHBondContact O-CB 3.34Å; Y49-M55 PolarHBondContact O-N 2.85Å; T50-M55 WeakPolarHBondContact CA-O 3.24Å; T50-M55 WeakPolarHBondContact CG2-O 3.49Å; M55-L73 HydrophobicContact CB-CB 4.32Å; M55-L73 HydrophobicContact CB-CD1 4.26Å; M55-L73 HydrophobicContact SD-CB 4.05Å; M55-Y75 HydrophobicContact CE-CD2 4.43Å; M55-Y75 HydrophobicContact CE-CE2 3.72Å; M55-Y75 HydrophobicContact CG-CD1 4.3Å; M55-Y75 HydrophobicContact CG-CD2 4.44Å; M55-Y75 HydrophobicContact CG-CE1 3.93Å; M55-Y75 HydrophobicContact CG-CE2 4.09Å; M55-I130 HydrophobicContact CE-CD1 3.99Å
56	T	98.9	Very high	98.6	Very high	32 Å²	32	50.4 Å²	50.4	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.6	176.1	-61.5	0	0	0	0	109.9	I58 L73 A74 E76 K78 I81	T56-I58 HydrophobicContact CG2-CG2 4.19Å; T56-I58 PolarHBondContact O-N 2.92Å; T56-L73 WeakPolarHBondContact O-CA 3.46Å; T56-A74 PolarHBondContact N-O 3.07Å; T56-A74 PolarHBondContact O-N 2.82Å; T56-E76 WeakPolarHBondContact CB-O 3.31Å; T56-E76 PolarHBondContact OG1-O 3.12Å; T56-K78 HydrophobicContact CG2-CB 3.96Å; T56-I81 HydrophobicContact CG2-CD1 3.86Å
57	L	98.9	Very high	98.6	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.325	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	103.3	167.3	175.9	64.9	0	0	0	109.2	L46 Q59 Y71 L73	L46-L57 HydrophobicContact CD2-CD1 4.09Å; L46-L57 HydrophobicContact CD2-CD2 4.22Å; L57-Q59 WeakPolarHBondContact CD1-O 3.23Å; L57-Y71 HydrophobicContact CD1-CD1 4.19Å; L57-L73 HydrophobicContact CB-CD1 4.17Å; L57-L73 HydrophobicContact CD1-CD2 4.01Å
58	I	98.8	Very high	98.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-28	-175.4	55.1	164.2	0	0	0	113	T56 F72 A74 E76 I81 K88 W91 A92 R95 T98	T56-I58 HydrophobicContact CG2-CG2 4.19Å; T56-I58 PolarHBondContact O-N 2.92Å; I58-F72 HydrophobicContact CD1-CB 4.26Å; I58-F72 HydrophobicContact CG1-CB 3.79Å; I58-F72 WeakPolarHBondContact CG1-O 3.22Å; I58-F72 PolarHBondContact N-O 2.76Å; I58-A74 HydrophobicContact CD1-CB 3.81Å; I58-A74 HydrophobicContact CG1-CB 4.31Å; I58-A74 HydrophobicContact CG2-CB 4.26Å; I58-E76 HydrophobicContact CG2-CB 4Å; I58-E76 HydrophobicContact CG2-CG 4.32Å; I58-I81 HydrophobicContact CG2-CD1 4.32Å; I58-I81 HydrophobicContact CG2-CG1 4.48Å; I58-K88 WeakPolarHBondContact O-CE 3.34Å; I58-W91 HydrophobicContact CB-CH2 4.42Å; I58-W91 HydrophobicContact CB-CZ3 3.81Å; I58-W91 HydrophobicContact CG2-CH2 3.93Å; I58-W91 HydrophobicContact CG2-CZ3 3.83Å; I58-A92 HydrophobicContact CD1-CB 4.01Å; I58-A92 HydrophobicContact CG1-CB 4.33Å; I58-R95 HydrophobicContact CD1-CB 4.41Å; I58-R95 HydrophobicContact CD1-CG 4.1Å; I58-T98 HydrophobicContact CD1-CG2 3.87Å
59	Q	98.6	Very high	98.6	Very high	15 Å²	15	53.3 Å²	53.3	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144.7	178.2	-178.8	60.4	25.9	0	0	111.7	L57 C61 F72 K88 A92	L57-Q59 WeakPolarHBondContact CD1-O 3.23Å; Q59-C61 PolarHBondContact NE2-SG 2.94Å; Q59-F72 HydrophobicContact CB-CB 4.06Å; Q59-F72 HydrophobicContact CB-CD2 3.89Å; Q59-F72 HydrophobicContact CB-CG 4.28Å; Q59-F72 HydrophobicContact CG-CD2 4.04Å; Q59-F72 PolarHBondContact O-N 3.12Å; Q59-K88 VanDerWaalsContact OE1-CE 3.3Å; Q59-A92 HydrophobicContact CB-CB 3.63Å; Q59-A92 HydrophobicContact CG-CB 4.33Å
60	K	98.6	Very high	98.6	Very high	86 Å²	86	54.2 Å²	54.2	37%	0.374	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.6	168.3	-179.1	179.4	-174.7	-71.1	0	109.1	D62 L70 Y71	K60-D62 IonicContact NZ-OD1 3.3Å; K60-D62 PolarHBondContact NZ-OD1 3.42Å; K60-D62 IonicContact NZ-OD2 3.73Å; K60-D62 PolarHBondContact NZ-OD2 3.01Å; K60-L70 VanDerWaalsContact CA-O 3.31Å; K60-L70 WeakPolarHBondContact CA-O 3.11Å; K60-Y71 HydrophobicContact CD-CD1 4.23Å; K60-Y71 HydrophobicContact CD-CE1 3.71Å; K60-Y71 VanDerWaalsContact CE-CE1 3.47Å; K60-Y71 HydrophobicContact CG-CD1 4.1Å; K60-Y71 HydrophobicContact CG-CE1 3.97Å
61	C	98.1	Very high	98.6	Very high	26 Å²	26	52.8 Å²	52.8	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.6	176.7	-62.8	0	0	0	0	109.5	Q59 F63 S69 L70	Q59-C61 PolarHBondContact NE2-SG 2.94Å; C61-F63 HydrophobicContact CB-CE2 3.73Å; C61-F63 HydrophobicContact CB-CZ 4.3Å; C61-S69 CarbonylContact O-C 3.57Å; C61-S69 VanDerWaalsContact O-CA 3.28Å; C61-S69 WeakPolarHBondContact O-CA 3.45Å; C61-L70 HydrophobicContact CB-CB 4.29Å; C61-L70 PolarHBondContact N-O 2.9Å; C61-L70 PolarHBondContact O-N 3.09Å
62	D	98.5	Very high	98.6	Very high	77 Å²	77	47.5 Å²	47.5	41%	0.412	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.4	177.2	-63.6	-51.1	0	0	0	110	K60 P64 S69 W105	K60-D62 IonicContact NZ-OD1 3.3Å; K60-D62 PolarHBondContact NZ-OD1 3.42Å; K60-D62 IonicContact NZ-OD2 3.73Å; K60-D62 PolarHBondContact NZ-OD2 3.01Å; D62-P64 WeakPolarHBondContact O-CD 3.34Å; D62-S69 WeakPolarHBondContact OD1-CB 3.46Å; D62-S69 PolarHBondContact OD1-OG 2.78Å; D62-W105 HydrophobicContact CB-CZ2 4.44Å
63	F	98.3	Very high	98.6	Very high	76 Å²	76	47.3 Å²	47.3	33%	0.333	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	79.3	177.7	-63.6	-92.3	0	0	0	110.2	C61 A65 M66 K67 F68 L70	C61-F63 HydrophobicContact CB-CE2 3.73Å; C61-F63 HydrophobicContact CB-CZ 4.3Å; F63-A65 VanDerWaalsContact C-N 3.31Å; F63-A65 PolarHBondContact O-N 3.45Å; F63-M66 HydrophobicContact CB-CB 4.22Å; F63-M66 HydrophobicContact CB-CE 3.66Å; F63-M66 HydrophobicContact CD1-CE 3.32Å; F63-M66 HydrophobicContact CE1-CE 4.13Å; F63-M66 HydrophobicContact CG-CE 3.67Å; F63-M66 CarbonylContact O-C 3.58Å; F63-M66 PolarHBondContact O-N 2.87Å; F63-K67 PolarHBondContact O-N 3.08Å; F63-F68 HydrophobicContact CB-CD1 4.27Å; F63-F68 HydrophobicContact CB-CD2 4.4Å; F63-F68 HydrophobicContact CB-CE1 3.98Å; F63-F68 HydrophobicContact CB-CE2 4.1Å; F63-F68 HydrophobicContact CB-CG 4.47Å; F63-F68 HydrophobicContact CB-CZ 3.87Å; F63-F68 HydrophobicContact CD1-CZ 4.3Å; F63-F68 AromaticContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CE1 4.45Å; F63-F68 AromaticContact CD2-CE2 3.15Å; F63-F68 HydrophobicContact CD2-CE2 3.15Å; F63-F68 AromaticContact CD2-CZ 3.54Å; F63-F68 HydrophobicContact CD2-CZ 3.54Å; F63-F68 AromaticContact CE2-CE2 3.64Å; F63-F68 HydrophobicContact CE2-CE2 3.64Å; F63-F68 HydrophobicContact CE2-CZ 4.1Å; F63-F68 HydrophobicContact CG-CD2 4.43Å; F63-F68 HydrophobicContact CG-CE1 4.25Å; F63-F68 AromaticContact CG-CE2 3.75Å; F63-F68 HydrophobicContact CG-CE2 3.75Å; F63-F68 AromaticContact CG-CZ 3.64Å; F63-F68 HydrophobicContact CG-CZ 3.64Å; F63-F68 PolarHBondContact N-O 3.43Å; F63-L70 HydrophobicContact CE2-CD1 3.82Å; F63-L70 HydrophobicContact CE2-CG 4.03Å
64	P	98.3	Very high	98.6	Very high	91 Å²	91	46.9 Å²	46.9	59%	0.591	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-57.4	-37.6	-172.5	-26.1	34.1	0	0	0	115.2	D62 M66 K67 W105	D62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-M66 PolarHBondContact O-N 3.19Å; P64-K67 PolarHBondContact O-N 3.27Å; P64-W105 VanDerWaalsContact CA-CH2 3.46Å; P64-W105 HydrophobicContact CB-CH2 3.95Å; P64-W105 HydrophobicContact CB-CZ3 4.34Å; P64-W105 HydrophobicContact CG-CH2 4.1Å
65	A	98.1	Very high	98.6	Very high	106 Å²	106	50.5 Å²	50.5	88%	0.876	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65.2	-28.4	177.6	0	0	0	0	0	112.9	F63	F63-A65 VanDerWaalsContact C-N 3.31Å; F63-A65 PolarHBondContact O-N 3.45Å
66	M	97.8	Very high	98.6	Very high	111 Å²	111	52 Å²	52	55%	0.547	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-102.9	-2.3	-178.7	-61.1	-173.1	-74.3	0	0	113.1	F63 P64 F68	F63-M66 HydrophobicContact CB-CB 4.22Å; F63-M66 HydrophobicContact CB-CE 3.66Å; F63-M66 HydrophobicContact CD1-CE 3.32Å; F63-M66 HydrophobicContact CE1-CE 4.13Å; F63-M66 HydrophobicContact CG-CE 3.67Å; F63-M66 CarbonylContact O-C 3.58Å; F63-M66 PolarHBondContact O-N 2.87Å; P64-M66 PolarHBondContact O-N 3.19Å; M66-F68 HydrophobicContact CB-CD1 3.49Å; M66-F68 VanDerWaalsContact CB-CD1 3.49Å; M66-F68 HydrophobicContact CB-CE1 3.36Å; M66-F68 HydrophobicContact CE-CE1 3.49Å; M66-F68 VanDerWaalsContact CE-CE1 3.49Å; M66-F68 HydrophobicContact CE-CZ 3.59Å; M66-F68 HydrophobicContact CG-CE1 4.11Å; M66-F68 PolarHBondContact O-N 3.09Å; M66-F68 HydrophobicContact SD-CE1 3.73Å; M66-F68 HydrophobicContact SD-CZ 4.34Å
67	K	98.4	Very high	98.6	Very high	143 Å²	143	54.2 Å²	54.2	62%	0.622	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	46.9	179	-59.1	-175.8	177.7	-178.1	0	114	F63 P64 W105	F63-K67 PolarHBondContact O-N 3.08Å; P64-K67 PolarHBondContact O-N 3.27Å; K67-W105 HydrophobicContact CB-CB 4.35Å; K67-W105 HydrophobicContact CB-CD2 4.26Å; K67-W105 HydrophobicContact CB-CE3 3.95Å; K67-W105 HydrophobicContact CB-CG 4.45Å; K67-W105 HydrophobicContact CG-CE3 4.19Å; K67-W105 WeakPolarHBondContact O-CB 3.47Å; K67-W105 VanDerWaalsContact O-CG 3.32Å; K67-W105 PolarHBondContact O-N 2.77Å
68	F	98.6	Very high	98.5	Very high	37 Å²	37	58.3 Å²	58.3	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.9	169.7	72.5	-97.4	0	0	0	112.8	F63 M66 L70 T102 H103	F63-F68 HydrophobicContact CB-CD1 4.27Å; F63-F68 HydrophobicContact CB-CD2 4.4Å; F63-F68 HydrophobicContact CB-CE1 3.98Å; F63-F68 HydrophobicContact CB-CE2 4.1Å; F63-F68 HydrophobicContact CB-CG 4.47Å; F63-F68 HydrophobicContact CB-CZ 3.87Å; F63-F68 HydrophobicContact CD1-CZ 4.3Å; F63-F68 AromaticContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CE1 4.45Å; F63-F68 AromaticContact CD2-CE2 3.15Å; F63-F68 HydrophobicContact CD2-CE2 3.15Å; F63-F68 AromaticContact CD2-CZ 3.54Å; F63-F68 HydrophobicContact CD2-CZ 3.54Å; F63-F68 AromaticContact CE2-CE2 3.64Å; F63-F68 HydrophobicContact CE2-CE2 3.64Å; F63-F68 HydrophobicContact CE2-CZ 4.1Å; F63-F68 HydrophobicContact CG-CD2 4.43Å; F63-F68 HydrophobicContact CG-CE1 4.25Å; F63-F68 AromaticContact CG-CE2 3.75Å; F63-F68 HydrophobicContact CG-CE2 3.75Å; F63-F68 AromaticContact CG-CZ 3.64Å; F63-F68 HydrophobicContact CG-CZ 3.64Å; F63-F68 PolarHBondContact N-O 3.43Å; M66-F68 HydrophobicContact CB-CD1 3.49Å; M66-F68 VanDerWaalsContact CB-CD1 3.49Å; M66-F68 HydrophobicContact CB-CE1 3.36Å; M66-F68 HydrophobicContact CE-CE1 3.49Å; M66-F68 VanDerWaalsContact CE-CE1 3.49Å; M66-F68 HydrophobicContact CE-CZ 3.59Å; M66-F68 HydrophobicContact CG-CE1 4.11Å; M66-F68 PolarHBondContact O-N 3.09Å; M66-F68 HydrophobicContact SD-CE1 3.73Å; M66-F68 HydrophobicContact SD-CZ 4.34Å; F68-L70 HydrophobicContact CD2-CD2 3.68Å; F68-L70 HydrophobicContact CD2-CG 4.04Å; F68-L70 HydrophobicContact CE2-CD1 4.14Å; F68-L70 HydrophobicContact CE2-CD2 3.65Å; F68-L70 HydrophobicContact CE2-CG 3.76Å; F68-T102 HydrophobicContact CD2-CG2 4.42Å; F68-H103 CarbonylContact C-O 3.52Å; F68-H103 WeakPolarHBondContact CA-O 3.49Å; F68-H103 VanDerWaalsContact CB-O 3.24Å; F68-H103 WeakPolarHBondContact CB-O 3.38Å
69	S	98.9	Very high	98.5	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.028	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.2	172	-63.9	0	0	0	0	110.1	C61 D62 H103 W105	C61-S69 CarbonylContact O-C 3.57Å; C61-S69 VanDerWaalsContact O-CA 3.28Å; C61-S69 WeakPolarHBondContact O-CA 3.45Å; D62-S69 WeakPolarHBondContact OD1-CB 3.46Å; D62-S69 PolarHBondContact OD1-OG 2.78Å; S69-H103 PolarHBondContact N-O 2.69Å; S69-H103 PolarHBondContact O-N 2.88Å; S69-W105 PolarHBondContact OG-NE1 2.99Å
70	L	98.9	Very high	98.5	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.094	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.1	172.8	-53.3	-177.2	0	0	0	109.3	K60 C61 F63 F68 F72 E100 L101 T102	K60-L70 VanDerWaalsContact CA-O 3.31Å; K60-L70 WeakPolarHBondContact CA-O 3.11Å; C61-L70 HydrophobicContact CB-CB 4.29Å; C61-L70 PolarHBondContact N-O 2.9Å; C61-L70 PolarHBondContact O-N 3.09Å; F63-L70 HydrophobicContact CE2-CD1 3.82Å; F63-L70 HydrophobicContact CE2-CG 4.03Å; F68-L70 HydrophobicContact CD2-CD2 3.68Å; F68-L70 HydrophobicContact CD2-CG 4.04Å; F68-L70 HydrophobicContact CE2-CD1 4.14Å; F68-L70 HydrophobicContact CE2-CD2 3.65Å; F68-L70 HydrophobicContact CE2-CG 3.76Å; L70-F72 HydrophobicContact CB-CD2 4.38Å; L70-F72 HydrophobicContact CB-CE2 3.68Å; L70-F72 HydrophobicContact CB-CZ 4.24Å; L70-F72 HydrophobicContact CD1-CE2 4.11Å; L70-F72 HydrophobicContact CD1-CZ 4.01Å; L70-E100 HydrophobicContact CB-CG 4.41Å; L70-E100 HydrophobicContact CD2-CG 4.33Å; L70-E100 VanDerWaalsContact CD2-OE1 3.29Å; L70-E100 WeakPolarHBondContact CD2-OE1 3.39Å; L70-L101 WeakPolarHBondContact CA-O 3.32Å; L70-T102 HydrophobicContact CD2-CG2 3.89Å
71	Y	98.9	Very high	98.5	Very high	23 Å²	23	65.2 Å²	65.2	9%	0.09	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.6	174.9	-56.9	-97.6	0	0	0	108.3	P42 L46 L57 K60 L73 L101 H103	P42-Y71 HydrophobicContact CB-CD2 4.21Å; P42-Y71 HydrophobicContact CB-CE2 3.61Å; P42-Y71 HydrophobicContact CG-CE2 4.23Å; L46-Y71 HydrophobicContact CD1-CD1 3.84Å; L46-Y71 HydrophobicContact CD1-CE1 3.81Å; L46-Y71 HydrophobicContact CD2-CD1 4.04Å; L46-Y71 HydrophobicContact CD2-CG 4.39Å; L46-Y71 HydrophobicContact CG-CD1 4.33Å; L57-Y71 HydrophobicContact CD1-CD1 4.19Å; K60-Y71 HydrophobicContact CD-CD1 4.23Å; K60-Y71 HydrophobicContact CD-CE1 3.71Å; K60-Y71 VanDerWaalsContact CE-CE1 3.47Å; K60-Y71 HydrophobicContact CG-CD1 4.1Å; K60-Y71 HydrophobicContact CG-CE1 3.97Å; Y71-L73 WeakPolarHBondContact O-CD2 3.46Å; Y71-L101 PolarHBondContact N-O 2.57Å; Y71-L101 PolarHBondContact O-N 2.89Å; Y71-H103 HydrophobicContact CD2-CB 4.46Å; Y71-H103 HydrophobicContact CE2-CB 3.86Å
72	F	98.9	Very high	98.5	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.7	179.6	-65.6	-93.3	0	0	0	109.5	I58 Q59 L70 L93 E100	I58-F72 HydrophobicContact CD1-CB 4.26Å; I58-F72 HydrophobicContact CG1-CB 3.79Å; I58-F72 WeakPolarHBondContact CG1-O 3.22Å; I58-F72 PolarHBondContact N-O 2.76Å; Q59-F72 HydrophobicContact CB-CB 4.06Å; Q59-F72 HydrophobicContact CB-CD2 3.89Å; Q59-F72 HydrophobicContact CB-CG 4.28Å; Q59-F72 HydrophobicContact CG-CD2 4.04Å; Q59-F72 PolarHBondContact O-N 3.12Å; L70-F72 HydrophobicContact CB-CD2 4.38Å; L70-F72 HydrophobicContact CB-CE2 3.68Å; L70-F72 HydrophobicContact CB-CZ 4.24Å; L70-F72 HydrophobicContact CD1-CE2 4.11Å; L70-F72 HydrophobicContact CD1-CZ 4.01Å; F72-L93 HydrophobicContact CD1-CD2 4.03Å; F72-L93 HydrophobicContact CE1-CD2 3.47Å; F72-L93 VanDerWaalsContact CE1-CD2 3.47Å; F72-L93 HydrophobicContact CE2-CD2 4.36Å; F72-L93 HydrophobicContact CZ-CD2 3.67Å; F72-E100 HydrophobicContact CD1-CB 4.08Å; F72-E100 HydrophobicContact CD1-CG 4.25Å; F72-E100 HydrophobicContact CE1-CB 3.86Å; F72-E100 HydrophobicContact CE1-CG 3.74Å; F72-E100 VanDerWaalsContact CE1-OE2 3.23Å; F72-E100 WeakPolarHBondContact CE1-OE2 3.43Å; F72-E100 HydrophobicContact CZ-CG 3.89Å; F72-E100 WeakPolarHBondContact CZ-OE2 3.45Å
73	L	98.9	Very high	98.5	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.4	179.2	-75.9	-68	0	0	0	109.3	L46 T50 M55 T56 L57 Y71 T98 L99 L101	L46-L73 HydrophobicContact CD2-CD1 4.4Å; L46-L73 HydrophobicContact CD2-CD2 4.03Å; T50-L73 HydrophobicContact CG2-CD1 3.84Å; M55-L73 HydrophobicContact CB-CB 4.32Å; M55-L73 HydrophobicContact CB-CD1 4.26Å; M55-L73 HydrophobicContact SD-CB 4.05Å; T56-L73 WeakPolarHBondContact O-CA 3.46Å; L57-L73 HydrophobicContact CB-CD1 4.17Å; L57-L73 HydrophobicContact CD1-CD2 4.01Å; Y71-L73 WeakPolarHBondContact O-CD2 3.46Å; L73-T98 CarbonylContact O-C 3.32Å; L73-T98 WeakPolarHBondContact O-CA 3.47Å; L73-L99 HydrophobicContact CB-CB 4.32Å; L73-L99 PolarHBondContact N-O 3.04Å; L73-L99 PolarHBondContact O-N 2.94Å; L73-L101 HydrophobicContact CD2-CD1 3.83Å; L73-L101 HydrophobicContact CD2-CG 4.2Å; L73-L101 HydrophobicContact CG-CD1 4.33Å
74	A	98.8	Very high	98.5	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.033	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	161.1	176.5	0	0	0	0	0	111.6	T56 I58 E76 T98	T56-A74 PolarHBondContact N-O 3.07Å; T56-A74 PolarHBondContact O-N 2.82Å; I58-A74 HydrophobicContact CD1-CB 3.81Å; I58-A74 HydrophobicContact CG1-CB 4.31Å; I58-A74 HydrophobicContact CG2-CB 4.26Å; A74-E76 VanDerWaalsContact C-N 3.26Å; A74-E76 HydrophobicContact CB-CB 4.41Å; A74-E76 HydrophobicContact CB-CG 3.71Å; A74-E76 PolarHBondContact O-N 3.47Å; A74-E76 VanDerWaalsContact O-N 3.11Å; A74-T98 HydrophobicContact CB-CG2 4.11Å
75	Y	98.8	Very high	98.4	Very high	124 Å²	124	75.1 Å²	75.1	49%	0.486	37%	0.371	S	S	.	.	S	Bend	trans	-82.5	73.7	166.6	-74.7	-66.8	0	0	0	110.3	L53 M55 I130	L53-Y75 WeakPolarHBondContact O-CE1 3.16Å; L53-Y75 PolarHBondContact O-OH 3.43Å; M55-Y75 HydrophobicContact CE-CD2 4.43Å; M55-Y75 HydrophobicContact CE-CE2 3.72Å; M55-Y75 HydrophobicContact CG-CD1 4.3Å; M55-Y75 HydrophobicContact CG-CD2 4.44Å; M55-Y75 HydrophobicContact CG-CE1 3.93Å; M55-Y75 HydrophobicContact CG-CE2 4.09Å; Y75-I130 HydrophobicContact CE2-CG2 4.2Å
76	E	98.7	Very high	98.3	Very high	51 Å²	51	77.7 Å²	77.7	24%	0.238	37%	0.365	C	S	.	.			trans	-125.3	151.2	-178.9	-68.6	-72	177	0	0	110.4	T56 I58 A74 K78 W91 R95	T56-E76 WeakPolarHBondContact CB-O 3.31Å; T56-E76 PolarHBondContact OG1-O 3.12Å; I58-E76 HydrophobicContact CG2-CB 4Å; I58-E76 HydrophobicContact CG2-CG 4.32Å; A74-E76 VanDerWaalsContact C-N 3.26Å; A74-E76 HydrophobicContact CB-CB 4.41Å; A74-E76 HydrophobicContact CB-CG 3.71Å; A74-E76 PolarHBondContact O-N 3.47Å; A74-E76 VanDerWaalsContact O-N 3.11Å; E76-K78 PolarHBondContact O-N 2.84Å; E76-W91 HydrophobicContact CB-CH2 4.1Å; E76-W91 HydrophobicContact CG-CH2 4.26Å; E76-R95 HydrophobicContact CG-CG 4.25Å; E76-R95 WeakPolarHBondContact OE1-CD 3.36Å
77	D	98.5	Very high	98.3	Very high	78 Å²	78	78.2 Å²	78.2	42%	0.417	37%	0.366	S	S	.	.			trans	-70.8	126.3	170.7	-169.1	-20.6	0	0	0	109.3	N79 D80	D77-N79 PolarHBondContact O-N 2.86Å; D77-N79 VanDerWaalsContact O-N 3.1Å; D77-N79 WeakPolarHBondContact OD1-CB 3.3Å; D77-N79 PolarHBondContact OD1-N 2.94Å; D77-N79 PolarHBondContact OD1-ND2 3.34Å; D77-N79 PolarHBondContact OD2-ND2 2.85Å; D77-D80 PolarHBondContact O-N 3.27Å
78	K	98.2	Very high	98.3	Very high	148 Å²	148	74.2 Å²	74.2	64%	0.643	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-58.8	-22.3	176.1	68.6	-178.8	-178.7	-178.1	0	113.3	T56 E76 D80 I81	T56-K78 HydrophobicContact CG2-CB 3.96Å; E76-K78 PolarHBondContact O-N 2.84Å; K78-D80 VanDerWaalsContact C-N 3.3Å; K78-I81 HydrophobicContact CB-CD1 4.25Å; K78-I81 WeakPolarHBondContact O-CG1 3.46Å
79	N	98.2	Very high	98.3	Very high	122 Å²	122	75.1 Å²	75.1	65%	0.652	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-74.7	-20.7	177.8	-59.1	-49	0	0	0	112.9	D77 I81	D77-N79 PolarHBondContact O-N 2.86Å; D77-N79 VanDerWaalsContact O-N 3.1Å; D77-N79 WeakPolarHBondContact OD1-CB 3.3Å; D77-N79 PolarHBondContact OD1-N 2.94Å; D77-N79 PolarHBondContact OD1-ND2 3.34Å; D77-N79 PolarHBondContact OD2-ND2 2.85Å; N79-I81 VanDerWaalsContact C-N 3.3Å
80	D	98.5	Very high	98.3	Very high	95 Å²	95	78 Å²	78	51%	0.508	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-83.4	-10	178.3	-66.6	-21.4	0	0	0	112.5	D77 K78 P82 W91	D77-D80 PolarHBondContact O-N 3.27Å; K78-D80 VanDerWaalsContact C-N 3.3Å; D80-P82 VanDerWaalsContact O-CD 3.24Å; D80-P82 WeakPolarHBondContact O-CD 2.87Å; D80-W91 HydrophobicContact CB-CZ2 3.89Å
81	I	98.6	Very high	98.3	Very high	30 Å²	30	79 Å²	79	15%	0.154	38%	0.381	C	S	.	.	S	Bend	trans	-68.2	118.3	179.6	-57.7	176	0	0	0	109.4	T56 I58 K78 N79 K88 W91	T56-I81 HydrophobicContact CG2-CD1 3.86Å; I58-I81 HydrophobicContact CG2-CD1 4.32Å; I58-I81 HydrophobicContact CG2-CG1 4.48Å; K78-I81 HydrophobicContact CB-CD1 4.25Å; K78-I81 WeakPolarHBondContact O-CG1 3.46Å; N79-I81 VanDerWaalsContact C-N 3.3Å; I81-K88 HydrophobicContact CG2-CD 3.78Å; I81-K88 HydrophobicContact CG2-CG 3.87Å; I81-W91 HydrophobicContact CB-CH2 4.49Å; I81-W91 HydrophobicContact CB-CZ3 4.23Å; I81-W91 HydrophobicContact CG1-CH2 3.76Å; I81-W91 HydrophobicContact CG1-CZ3 3.71Å; I81-W91 HydrophobicContact CG2-CZ3 4.39Å
82	P	98.5	Very high	98.3	Very high	28 Å²	28	77.9 Å²	77.9	18%	0.182	38%	0.377	C	S	.	.			trans	-60.2	149	176.8	-24.1	34.9	0	0	0	112.5	D80 E87 K88 W91	D80-P82 VanDerWaalsContact O-CD 3.24Å; D80-P82 WeakPolarHBondContact O-CD 2.87Å; P82-E87 HydrophobicContact CB-CB 3.85Å; P82-E87 HydrophobicContact CG-CB 4.41Å; P82-K88 HydrophobicContact CB-CB 4.23Å; P82-W91 HydrophobicContact CG-CB 3.67Å; P82-W91 HydrophobicContact CG-CD2 4.28Å; P82-W91 HydrophobicContact CG-CG 3.8Å
83	K	97.6	Very high	98.2	Very high	215 Å²	215	81.2 Å²	81.2	94%	0.935	40%	0.395	S	S	*	.	S	Bend	trans	-84.4	-34	179	-66.1	-179.4	-178.1	174.9	0	112.3
84	D	97.9	Very high	98.2	Very high	76 Å²	76	83.7 Å²	83.7	41%	0.406	41%	0.412	S	S	.	.	S	Bend	trans	-69.6	142.4	175.2	177	67.2	0	0	0	110.7	E86 E87 K88	D84-E86 PolarHBondContact OD2-N 2.86Å; D84-E87 HydrophobicContact CB-CB 4.08Å; D84-E87 HydrophobicContact CB-CG 4.02Å; D84-E87 PolarHBondContact OD2-N 2.87Å; D84-K88 WeakPolarHBondContact O-CB 3.33Å; D84-K88 PolarHBondContact O-N 3.17Å
85	K	96.1	Very high	98.2	Very high	159 Å²	159	86.7 Å²	86.7	69%	0.691	42%	0.422	S	S	*	.	H	α-helix	trans	-67.9	-43	-173.4	-176.9	-177.3	175.5	-173.4	0	112.3	I89	K85-I89 HydrophobicContact CG-CD1 4.34Å; K85-I89 WeakPolarHBondContact O-CG1 3.44Å; K85-I89 PolarHBondContact O-N 2.81Å
86	E	96.7	Very high	98.2	Very high	159 Å²	159	88 Å²	88	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-73.6	-44.3	-176.6	-64.9	-176.2	178.2	0	0	110.2	D84 K88 I89 A90	D84-E86 PolarHBondContact OD2-N 2.86Å; E86-K88 VanDerWaalsContact C-N 3.3Å; E86-K88 PolarHBondContact O-N 2.97Å; E86-I89 PolarHBondContact O-N 2.82Å; E86-A90 PolarHBondContact O-N 2.81Å; E86-A90 VanDerWaalsContact O-N 3.09Å
87	E	98	Very high	98.2	Very high	122 Å²	122	89.7 Å²	89.7	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-59	-42.4	174.1	-66.4	-179	179.8	0	0	111.5	P82 D84 I89 A90 W91	P82-E87 HydrophobicContact CB-CB 3.85Å; P82-E87 HydrophobicContact CG-CB 4.41Å; D84-E87 HydrophobicContact CB-CB 4.08Å; D84-E87 HydrophobicContact CB-CG 4.02Å; D84-E87 PolarHBondContact OD2-N 2.87Å; E87-I89 PolarHBondContact O-N 2.91Å; E87-A90 PolarHBondContact O-N 3.27Å; E87-W91 WeakPolarHBondContact O-CB 3.16Å; E87-W91 PolarHBondContact O-N 2.87Å
88	K	98.5	Very high	98.2	Very high	60 Å²	60	86.1 Å²	86.1	26%	0.261	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-41.4	179.5	-173.8	-179.9	174.6	162.5	0	112.3	I58 Q59 I81 P82 D84 E86 W91 A92	I58-K88 WeakPolarHBondContact O-CE 3.34Å; Q59-K88 VanDerWaalsContact OE1-CE 3.3Å; I81-K88 HydrophobicContact CG2-CD 3.78Å; I81-K88 HydrophobicContact CG2-CG 3.87Å; P82-K88 HydrophobicContact CB-CB 4.23Å; D84-K88 WeakPolarHBondContact O-CB 3.33Å; D84-K88 PolarHBondContact O-N 3.17Å; E86-K88 VanDerWaalsContact C-N 3.3Å; E86-K88 PolarHBondContact O-N 2.97Å; K88-W91 PolarHBondContact O-N 3.32Å; K88-A92 WeakPolarHBondContact O-CB 3.21Å; K88-A92 PolarHBondContact O-N 3.49Å
89	I	98.3	Very high	98.3	Very high	56 Å²	56	79.5 Å²	79.5	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-49.3	177	-70	165.8	0	0	0	110.2	K85 E86 E87 W91 A92 L93	K85-I89 HydrophobicContact CG-CD1 4.34Å; K85-I89 WeakPolarHBondContact O-CG1 3.44Å; K85-I89 PolarHBondContact O-N 2.81Å; E86-I89 PolarHBondContact O-N 2.82Å; E87-I89 PolarHBondContact O-N 2.91Å; I89-W91 VanDerWaalsContact C-N 3.33Å; I89-W91 PolarHBondContact O-N 3.21Å; I89-A92 PolarHBondContact O-N 2.98Å; I89-L93 HydrophobicContact CG2-CD1 4.07Å; I89-L93 WeakPolarHBondContact O-CB 3.08Å; I89-L93 PolarHBondContact O-N 3.38Å
90	A	98.4	Very high	98.3	Very high	65 Å²	65	74.7 Å²	74.7	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-40.8	179.1	0	0	0	0	0	112	E86 E87 S94	E86-A90 PolarHBondContact O-N 2.81Å; E86-A90 VanDerWaalsContact O-N 3.09Å; E87-A90 PolarHBondContact O-N 3.27Å; A90-S94 WeakPolarHBondContact O-CB 3.2Å; A90-S94 PolarHBondContact O-N 3.44Å; A90-S94 PolarHBondContact O-OG 3.08Å
91	W	98.8	Very high	98.3	Very high	37 Å²	37	70.2 Å²	70.2	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-48.7	176.2	176.9	90.2	0	0	0	112	I58 E76 D80 I81 P82 E87 K88 I89 L93 S94 R95	I58-W91 HydrophobicContact CB-CH2 4.42Å; I58-W91 HydrophobicContact CB-CZ3 3.81Å; I58-W91 HydrophobicContact CG2-CH2 3.93Å; I58-W91 HydrophobicContact CG2-CZ3 3.83Å; E76-W91 HydrophobicContact CB-CH2 4.1Å; E76-W91 HydrophobicContact CG-CH2 4.26Å; D80-W91 HydrophobicContact CB-CZ2 3.89Å; I81-W91 HydrophobicContact CB-CH2 4.49Å; I81-W91 HydrophobicContact CB-CZ3 4.23Å; I81-W91 HydrophobicContact CG1-CH2 3.76Å; I81-W91 HydrophobicContact CG1-CZ3 3.71Å; I81-W91 HydrophobicContact CG2-CZ3 4.39Å; P82-W91 HydrophobicContact CG-CB 3.67Å; P82-W91 HydrophobicContact CG-CD2 4.28Å; P82-W91 HydrophobicContact CG-CG 3.8Å; E87-W91 WeakPolarHBondContact O-CB 3.16Å; E87-W91 PolarHBondContact O-N 2.87Å; K88-W91 PolarHBondContact O-N 3.32Å; I89-W91 VanDerWaalsContact C-N 3.33Å; I89-W91 PolarHBondContact O-N 3.21Å; W91-L93 PolarHBondContact O-N 2.85Å; W91-S94 PolarHBondContact O-N 3.49Å; W91-S94 PolarHBondContact O-OG 3.23Å; W91-R95 HydrophobicContact CH2-CG 4.49Å; W91-R95 HydrophobicContact CZ2-CG 4.48Å; W91-R95 WeakPolarHBondContact O-CG 3.34Å; W91-R95 PolarHBondContact O-N 3.39Å; W91-R95 PolarHBondContact O-NE 3.09Å
92	A	98.7	Very high	98.3	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-43.7	-177.9	0	0	0	0	0	112.1	I58 Q59 K88 I89 S94 R95	I58-A92 HydrophobicContact CD1-CB 4.01Å; I58-A92 HydrophobicContact CG1-CB 4.33Å; Q59-A92 HydrophobicContact CB-CB 3.63Å; Q59-A92 HydrophobicContact CG-CB 4.33Å; K88-A92 WeakPolarHBondContact O-CB 3.21Å; K88-A92 PolarHBondContact O-N 3.49Å; I89-A92 PolarHBondContact O-N 2.98Å; A92-S94 PolarHBondContact O-N 2.84Å; A92-R95 PolarHBondContact O-N 3.3Å
93	L	98.5	Very high	98.3	Very high	77 Å²	77	68.3 Å²	68.3	40%	0.403	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.1	178.8	-66.2	-176.7	0	0	0	114	Q33 F72 I89 W91	Q33-L93 WeakPolarHBondContact CG-O 3.36Å; F72-L93 HydrophobicContact CD1-CD2 4.03Å; F72-L93 HydrophobicContact CE1-CD2 3.47Å; F72-L93 VanDerWaalsContact CE1-CD2 3.47Å; F72-L93 HydrophobicContact CE2-CD2 4.36Å; F72-L93 HydrophobicContact CZ-CD2 3.67Å; I89-L93 HydrophobicContact CG2-CD1 4.07Å; I89-L93 WeakPolarHBondContact O-CB 3.08Å; I89-L93 PolarHBondContact O-N 3.38Å; W91-L93 PolarHBondContact O-N 2.85Å
94	S	98.5	Very high	98.4	Very high	51 Å²	51	60.6 Å²	60.6	36%	0.357	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-0.8	170.1	62.2	0	0	0	0	113.3	A90 W91 A92	A90-S94 WeakPolarHBondContact O-CB 3.2Å; A90-S94 PolarHBondContact O-N 3.44Å; A90-S94 PolarHBondContact O-OG 3.08Å; W91-S94 PolarHBondContact O-N 3.49Å; W91-S94 PolarHBondContact O-OG 3.23Å; A92-S94 PolarHBondContact O-N 2.84Å
95	R	98.7	Very high	98.4	Very high	68 Å²	68	62 Å²	62	26%	0.257	31%	0.313	S	S	.	.			trans	-72.9	140.2	174.4	-59.9	-53.1	87.6	-173.6	-3.5	110.2	Q33 I58 E76 W91 A92 T98	Q33-R95 WeakPolarHBondContact CG-O 3.48Å; Q33-R95 PolarHBondContact NE2-O 2.78Å; I58-R95 HydrophobicContact CD1-CB 4.41Å; I58-R95 HydrophobicContact CD1-CG 4.1Å; E76-R95 HydrophobicContact CG-CG 4.25Å; E76-R95 WeakPolarHBondContact OE1-CD 3.36Å; W91-R95 HydrophobicContact CH2-CG 4.49Å; W91-R95 HydrophobicContact CZ2-CG 4.48Å; W91-R95 WeakPolarHBondContact O-CG 3.34Å; W91-R95 PolarHBondContact O-N 3.39Å; W91-R95 PolarHBondContact O-NE 3.09Å; A92-R95 PolarHBondContact O-N 3.3Å; R95-T98 HydrophobicContact CB-CG2 3.62Å
96	K	98.6	Very high	98.5	Very high	151 Å²	151	56 Å²	56	66%	0.657	30%	0.297	S	S	*	.	S	Bend	trans	-74.3	156.2	170.4	-69.1	176.3	64.4	176.8	0	109.9	L31 T98	L31-K96 HydrophobicContact CB-CG 4.29Å; L31-K96 HydrophobicContact CD1-CG 4.11Å; K96-T98 VanDerWaalsContact C-N 3.28Å; K96-T98 PolarHBondContact O-N 3.28Å
97	A	98.6	Very high	98.6	Very high	86 Å²	86	49.3 Å²	49.3	71%	0.711	27%	0.266	S	S	*	.	S	Bend	trans	54	40.1	166.5	0	0	0	0	0	114.8	L32 Q33	L32-A97 PolarHBondContact O-N 3.48Å; L32-A97 VanDerWaalsContact O-N 3.16Å; Q33-A97 PolarHBondContact O-N 3.09Å
98	T	98.8	Very high	98.7	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	153.5	172	68.8	0	0	0	0	111.1	Q33 Q34 T35 I58 L73 A74 R95 K96	Q33-T98 PolarHBondContact NE2-OG1 3.39Å; Q33-T98 PolarHBondContact O-N 3.36Å; Q33-T98 PolarHBondContact O-OG1 2.95Å; Q34-T98 CarbonylContact C-O 3.56Å; Q34-T98 VanDerWaalsContact CA-O 3.3Å; Q34-T98 WeakPolarHBondContact CA-O 3.12Å; Q34-T98 WeakPolarHBondContact CB-OG1 3.2Å; T35-T98 PolarHBondContact N-O 2.76Å; I58-T98 HydrophobicContact CD1-CG2 3.87Å; L73-T98 CarbonylContact O-C 3.32Å; L73-T98 WeakPolarHBondContact O-CA 3.47Å; A74-T98 HydrophobicContact CB-CG2 4.11Å; R95-T98 HydrophobicContact CB-CG2 3.62Å; K96-T98 VanDerWaalsContact C-N 3.28Å; K96-T98 PolarHBondContact O-N 3.28Å
99	L	98.9	Very high	98.7	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.9	169.8	-175.9	65.1	0	0	0	108.3	T35 L37 Y49 L73 L101 I128	T35-L99 HydrophobicContact CG2-CD1 4.49Å; T35-L99 WeakPolarHBondContact O-CA 3.32Å; L37-L99 HydrophobicContact CD1-CD1 3.91Å; L37-L99 HydrophobicContact CG-CD1 4Å; Y49-L99 HydrophobicContact CD1-CD2 3.74Å; Y49-L99 HydrophobicContact CD2-CD2 4.44Å; Y49-L99 HydrophobicContact CE1-CD2 3.31Å; Y49-L99 HydrophobicContact CE2-CD2 4.09Å; Y49-L99 HydrophobicContact CG-CD2 4.31Å; Y49-L99 VanDerWaalsContact CZ-CD2 3.5Å; L73-L99 HydrophobicContact CB-CB 4.32Å; L73-L99 PolarHBondContact N-O 3.04Å; L73-L99 PolarHBondContact O-N 2.94Å; L99-L101 HydrophobicContact CD1-CD2 4.33Å; L99-L101 HydrophobicContact CD2-CD2 3.73Å; L99-L101 HydrophobicContact CG-CD2 3.68Å; L99-L101 HydrophobicContact CG-CG 4.36Å; L99-I128 HydrophobicContact CD1-CD1 4.43Å; L99-I128 HydrophobicContact CD2-CD1 4.09Å
100	E	98.9	Very high	98.7	Very high	20 Å²	20	50.9 Å²	50.9	9%	0.093	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.8	171.6	-177.7	-176.5	134.5	0	0	108.8	Q34 T35 M36 L37 L70 F72 T102	Q34-E100 PolarHBondContact OE1-OE2 3.43Å; T35-E100 PolarHBondContact O-N 3.25Å; M36-E100 CarbonylContact C-O 3.57Å; M36-E100 VanDerWaalsContact CA-O 3.24Å; M36-E100 WeakPolarHBondContact CA-O 3.24Å; M36-E100 HydrophobicContact CB-CB 4.08Å; M36-E100 HydrophobicContact CB-CG 4.46Å; M36-E100 HydrophobicContact CG-CB 4.13Å; M36-E100 HydrophobicContact CG-CG 4.02Å; L37-E100 PolarHBondContact N-O 3.3Å; L70-E100 HydrophobicContact CB-CG 4.41Å; L70-E100 HydrophobicContact CD2-CG 4.33Å; L70-E100 VanDerWaalsContact CD2-OE1 3.29Å; L70-E100 WeakPolarHBondContact CD2-OE1 3.39Å; F72-E100 HydrophobicContact CD1-CB 4.08Å; F72-E100 HydrophobicContact CD1-CG 4.25Å; F72-E100 HydrophobicContact CE1-CB 3.86Å; F72-E100 HydrophobicContact CE1-CG 3.74Å; F72-E100 VanDerWaalsContact CE1-OE2 3.23Å; F72-E100 WeakPolarHBondContact CE1-OE2 3.43Å; F72-E100 HydrophobicContact CZ-CG 3.89Å; F72-E100 WeakPolarHBondContact CZ-OE2 3.45Å; E100-T102 PolarHBondContact OE1-OG1 2.8Å
101	L	98.9	Very high	98.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.9	172.3	-52.7	178.6	0	0	0	109.1	L37 V39 Y49 L70 Y71 L73 L99	L37-L101 HydrophobicContact CB-CD2 4.31Å; L37-L101 CarbonylContact O-C 3.51Å; L37-L101 WeakPolarHBondContact O-CA 3.13Å; V39-L101 HydrophobicContact CG1-CB 3.97Å; V39-L101 HydrophobicContact CG1-CD1 4.3Å; V39-L101 HydrophobicContact CG1-CD2 3.82Å; V39-L101 HydrophobicContact CG1-CG 4.25Å; V39-L101 HydrophobicContact CG2-CB 3.99Å; Y49-L101 HydrophobicContact CD2-CD1 3.55Å; Y49-L101 HydrophobicContact CD2-CD2 4.42Å; Y49-L101 HydrophobicContact CE2-CD1 3.81Å; Y49-L101 HydrophobicContact CE2-CD2 3.9Å; Y49-L101 HydrophobicContact CG-CD1 4.47Å; L70-L101 WeakPolarHBondContact CA-O 3.32Å; Y71-L101 PolarHBondContact N-O 2.57Å; Y71-L101 PolarHBondContact O-N 2.89Å; L73-L101 HydrophobicContact CD2-CD1 3.83Å; L73-L101 HydrophobicContact CD2-CG 4.2Å; L73-L101 HydrophobicContact CG-CD1 4.33Å; L99-L101 HydrophobicContact CD1-CD2 4.33Å; L99-L101 HydrophobicContact CD2-CD2 3.73Å; L99-L101 HydrophobicContact CG-CD2 3.68Å; L99-L101 HydrophobicContact CG-CG 4.36Å
102	T	98.9	Very high	98.6	Very high	10 Å²	10	61.4 Å²	61.4	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.4	176.5	-53.4	0	0	0	0	110.2	M36 L37 R38 V39 F68 L70 E100	M36-T102 VanDerWaalsContact CG-OG1 3.24Å; M36-T102 WeakPolarHBondContact CG-OG1 3.3Å; M36-T102 PolarHBondContact SD-OG1 2.99Å; L37-T102 PolarHBondContact O-N 2.85Å; R38-T102 CarbonylContact C-O 3.5Å; R38-T102 WeakPolarHBondContact CA-O 3.24Å; V39-T102 PolarHBondContact N-O 2.84Å; F68-T102 HydrophobicContact CD2-CG2 4.42Å; L70-T102 HydrophobicContact CD2-CG2 3.89Å; E100-T102 PolarHBondContact OE1-OG1 2.8Å
103	H	98.9	Very high	98.5	Very high	9 Å²	9	63.2 Å²	63.2	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.8	171.7	169.6	-135.8	0	0	0	109.6	V39 P42 F68 S69 Y71 W105 E108	V39-H103 HydrophobicContact CG2-CB 4.3Å; P42-H103 HydrophobicContact CB-CB 4.31Å; P42-H103 HydrophobicContact CG-CB 4.19Å; F68-H103 CarbonylContact C-O 3.52Å; F68-H103 WeakPolarHBondContact CA-O 3.49Å; F68-H103 VanDerWaalsContact CB-O 3.24Å; F68-H103 WeakPolarHBondContact CB-O 3.38Å; S69-H103 PolarHBondContact N-O 2.69Å; S69-H103 PolarHBondContact O-N 2.88Å; Y71-H103 HydrophobicContact CD2-CB 4.46Å; Y71-H103 HydrophobicContact CE2-CB 3.86Å; H103-W105 AromaticContact CE1-CD1 3.71Å; H103-W105 AromaticContact ND1-CD1 3.55Å; H103-E108 IonicContact CD2-OE2 3.4Å; H103-E108 IonicContact CE1-OE1 2.69Å; H103-E108 PolarHBondContact CE1-OE1 2.83Å; H103-E108 VanDerWaalsContact CE1-OE1 3.3Å; H103-E108 IonicContact CE1-OE2 2.67Å; H103-E108 VanDerWaalsContact NE2-CD 3.3Å; H103-E108 IonicContact NE2-OE1 3.68Å; H103-E108 PolarHBondContact NE2-OE1 3.28Å; H103-E108 IonicContact NE2-OE2 3.73Å; H103-E108 PolarHBondContact NE2-OE2 2.94Å
104	N	98.7	Very high	98.5	Very high	53 Å²	53	64.2 Å²	64.2	28%	0.283	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.2	167.6	-65.2	-62.1	0	0	0	108.3	G106 T107 Y115	N104-G106 PolarHBondContact O-N 2.93Å; N104-T107 HydrophobicContact CB-CG2 4.06Å; N104-T107 WeakPolarHBondContact O-CG2 3.45Å; N104-T107 PolarHBondContact O-N 3.3Å; N104-T107 PolarHBondContact O-OG1 2.63Å; N104-Y115 PolarHBondContact ND2-OH 3.3Å
105	W	98.6	Very high	98.5	Very high	104 Å²	104	63.7 Å²	63.7	39%	0.394	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	131.3	-168.1	-61.4	-10.2	0	0	0	112.5	D62 P64 K67 S69 H103	D62-W105 HydrophobicContact CB-CZ2 4.44Å; P64-W105 VanDerWaalsContact CA-CH2 3.46Å; P64-W105 HydrophobicContact CB-CH2 3.95Å; P64-W105 HydrophobicContact CB-CZ3 4.34Å; P64-W105 HydrophobicContact CG-CH2 4.1Å; K67-W105 HydrophobicContact CB-CB 4.35Å; K67-W105 HydrophobicContact CB-CD2 4.26Å; K67-W105 HydrophobicContact CB-CE3 3.95Å; K67-W105 HydrophobicContact CB-CG 4.45Å; K67-W105 HydrophobicContact CG-CE3 4.19Å; K67-W105 WeakPolarHBondContact O-CB 3.47Å; K67-W105 VanDerWaalsContact O-CG 3.32Å; K67-W105 PolarHBondContact O-N 2.77Å; S69-W105 PolarHBondContact OG-NE1 2.99Å; H103-W105 AromaticContact CE1-CD1 3.71Å; H103-W105 AromaticContact ND1-CD1 3.55Å
106	G	98.5	Very high	98.5	Very high	35 Å²	35	64.5 Å²	64.5	36%	0.361	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-7	179.3	0	0	0	0	0	114.1	N104 E108 D109 D110	N104-G106 PolarHBondContact O-N 2.93Å; G106-E108 VanDerWaalsContact C-OE2 3.28Å; G106-E108 VanDerWaalsContact CA-OE2 3.32Å; G106-E108 WeakPolarHBondContact CA-OE2 3.15Å; G106-E108 PolarHBondContact N-OE2 2.83Å; G106-E108 PolarHBondContact O-N 2.95Å; G106-D109 PolarHBondContact O-N 3.31Å; G106-D110 PolarHBondContact O-N 2.78Å
107	T	98.6	Very high	98.5	Very high	17 Å²	17	58.7 Å²	58.7	10%	0.104	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.8	175.4	52.4	0	0	0	0	112.6	K40 N104 D109 Q113	K40-T107 WeakPolarHBondContact CE-O 3.15Å; K40-T107 WeakPolarHBondContact CG-O 3.34Å; K40-T107 PolarHBondContact NZ-O 3.08Å; K40-T107 CarbonylContact O-C 3.53Å; K40-T107 PolarHBondContact O-OG1 2.99Å; N104-T107 HydrophobicContact CB-CG2 4.06Å; N104-T107 WeakPolarHBondContact O-CG2 3.45Å; N104-T107 PolarHBondContact O-N 3.3Å; N104-T107 PolarHBondContact O-OG1 2.63Å; T107-D109 PolarHBondContact O-N 3.48Å; T107-Q113 HydrophobicContact CG2-CG 4.1Å
108	E	98.6	Very high	98.5	Very high	66 Å²	66	55 Å²	55	31%	0.308	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.5	177.3	62.5	-90.2	-129.2	0	0	113.1	K40 D41 H103 G106	K40-E108 WeakPolarHBondContact O-CA 3.29Å; K40-E108 PolarHBondContact O-N 3.49Å; K40-E108 VanDerWaalsContact O-N 3.09Å; D41-E108 HydrophobicContact CB-CB 4.02Å; H103-E108 IonicContact CD2-OE2 3.4Å; H103-E108 IonicContact CE1-OE1 2.69Å; H103-E108 PolarHBondContact CE1-OE1 2.83Å; H103-E108 VanDerWaalsContact CE1-OE1 3.3Å; H103-E108 IonicContact CE1-OE2 2.67Å; H103-E108 VanDerWaalsContact NE2-CD 3.3Å; H103-E108 IonicContact NE2-OE1 3.68Å; H103-E108 PolarHBondContact NE2-OE1 3.28Å; H103-E108 IonicContact NE2-OE2 3.73Å; H103-E108 PolarHBondContact NE2-OE2 2.94Å; G106-E108 VanDerWaalsContact C-OE2 3.28Å; G106-E108 VanDerWaalsContact CA-OE2 3.32Å; G106-E108 WeakPolarHBondContact CA-OE2 3.15Å; G106-E108 PolarHBondContact N-OE2 2.83Å; G106-E108 PolarHBondContact O-N 2.95Å
109	D	98.5	Very high	98.4	Very high	136 Å²	136	56.8 Å²	56.8	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-12	-175.7	-60.5	-43.5	0	0	0	112.9	G106 T107 E111	G106-D109 PolarHBondContact O-N 3.31Å; T107-D109 PolarHBondContact O-N 3.48Å; D109-E111 PolarHBondContact O-N 3.11Å
110	D	98.2	Very high	98.4	Very high	70 Å²	70	59 Å²	59	37%	0.374	32%	0.32	S	S	.	.			trans	-84.8	105	177.1	-176.4	-13.8	0	0	0	111.1	K40 G106 T112 Q113	K40-D110 PolarHBondContact NZ-O 2.8Å; G106-D110 PolarHBondContact O-N 2.78Å; D110-T112 PolarHBondContact O-N 3.04Å; D110-T112 WeakPolarHBondContact OD1-CA 3.32Å; D110-T112 WeakPolarHBondContact OD1-CB 3.37Å; D110-T112 PolarHBondContact OD1-N 3.2Å; D110-T112 PolarHBondContact OD1-OG1 3.16Å; D110-Q113 HydrophobicContact CB-CB 3.84Å; D110-Q113 PolarHBondContact O-N 3.46Å; D110-Q113 PolarHBondContact OD1-N 2.89Å
111	E	97.6	Very high	98.3	Very high	195 Å²	195	63.7 Å²	63.7	91%	0.911	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	-179.6	-63.6	-177.7	174.8	0	0	114.2	D109	D109-E111 PolarHBondContact O-N 3.11Å
112	T	97.7	Very high	98.2	Very high	128 Å²	128	68.7 Å²	68.7	79%	0.785	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-14.4	-178.5	70.4	0	0	0	0	113.2	D110	D110-T112 PolarHBondContact O-N 3.04Å; D110-T112 WeakPolarHBondContact OD1-CA 3.32Å; D110-T112 WeakPolarHBondContact OD1-CB 3.37Å; D110-T112 PolarHBondContact OD1-N 3.2Å; D110-T112 PolarHBondContact OD1-OG1 3.16Å
113	Q	98.1	Very high	98.2	Very high	38 Å²	38	75.9 Å²	75.9	18%	0.178	40%	0.404	C	S	.	.			trans	-88	134.3	-175.7	-169.4	-78.4	-25.3	0	0	111.5	K40 T107 D110	K40-Q113 WeakPolarHBondContact CE-O 3.09Å; K40-Q113 PolarHBondContact NZ-O 3.48Å; T107-Q113 HydrophobicContact CG2-CG 4.1Å; D110-Q113 HydrophobicContact CB-CB 3.84Å; D110-Q113 PolarHBondContact O-N 3.46Å; D110-Q113 PolarHBondContact OD1-N 2.89Å
114	S	98	Very high	98.1	Very high	97 Å²	97	78.7 Å²	78.7	68%	0.678	44%	0.436	S	S	*	.			trans	-149.8	146.3	166.1	59.5	0	0	0	0	109.4
115	Y	98.6	Very high	98.1	Very high	41 Å²	41	79.8 Å²	79.8	16%	0.161	44%	0.438	C	S	.	.			trans	-80.2	151.6	170.5	-66.6	-65.2	0	0	0	111.4	R38 V39 K40 N104	R38-Y115 HydrophobicContact CB-CD1 3.74Å; R38-Y115 HydrophobicContact CB-CD2 3.96Å; R38-Y115 HydrophobicContact CB-CE1 3.47Å; R38-Y115 VanDerWaalsContact CB-CE1 3.47Å; R38-Y115 HydrophobicContact CB-CE2 3.71Å; R38-Y115 HydrophobicContact CB-CG 3.97Å; R38-Y115 VanDerWaalsContact CB-CZ 3.44Å; R38-Y115 VanDerWaalsContact CD-CE1 3.46Å; R38-Y115 HydrophobicContact CG-CE1 4.11Å; R38-Y115 WeakPolarHBondContact O-CD2 3.42Å; V39-Y115 WeakPolarHBondContact O-CE2 3.35Å; K40-Y115 HydrophobicContact CB-CD2 4.37Å; K40-Y115 HydrophobicContact CB-CE2 4.41Å; N104-Y115 PolarHBondContact ND2-OH 3.3Å
116	H	98.4	Very high	98.1	Very high	85 Å²	85	76 Å²	76	39%	0.394	43%	0.432	S	S	.	.			trans	-92.3	134.8	175.1	-177.7	-91.2	0	0	0	109.5	G118 S120 P122 Y170	H116-G118 VanDerWaalsContact CE1-CA 3.43Å; H116-G118 WeakPolarHBondContact CE1-CA 3.37Å; H116-G118 PolarHBondContact CE1-N 2.86Å; H116-G118 VanDerWaalsContact CE1-N 3.34Å; H116-G118 WeakPolarHBondContact ND1-CA 3.43Å; H116-G118 PolarHBondContact ND1-N 3.4Å; H116-S120 PolarHBondContact CE1-O 3.44Å; H116-S120 PolarHBondContact NE2-O 3.04Å; H116-S120 PolarHBondContact NE2-OG 3.43Å; H116-P122 PolarHBondContact CE1-O 2.72Å; H116-Y170 WeakPolarHBondContact O-CE1 3.3Å
117	N	98.3	Very high	98.1	Very high	29 Å²	29	78 Å²	78	16%	0.155	43%	0.432	C	S	.	.			trans	-89	-0.9	-174	70.9	6	0	0	0	114.6	N119 G169 Y170	N117-N119 VanDerWaalsContact C-N 3.31Å; N117-N119 PolarHBondContact O-N 3.01Å; N117-N119 PolarHBondContact O-ND2 3.18Å; N117-N119 VanDerWaalsContact O-ND2 3.09Å; N117-N119 PolarHBondContact OD1-N 3.1Å; N117-G169 WeakPolarHBondContact CB-O 3.37Å; N117-G169 PolarHBondContact ND2-O 3.16Å; N117-Y170 HydrophobicContact CB-CD1 3.98Å; N117-Y170 HydrophobicContact CB-CE1 4.43Å
118	G	98.4	Very high	98.1	Very high	9 Å²	9	78.4 Å²	78.4	9%	0.093	43%	0.433	C	S	.	.	S	Bend	trans	79.5	-5.2	178.7	0	0	0	0	0	116.5	H116 R123 G124 F125	H116-G118 VanDerWaalsContact CE1-CA 3.43Å; H116-G118 WeakPolarHBondContact CE1-CA 3.37Å; H116-G118 PolarHBondContact CE1-N 2.86Å; H116-G118 VanDerWaalsContact CE1-N 3.34Å; H116-G118 WeakPolarHBondContact ND1-CA 3.43Å; H116-G118 PolarHBondContact ND1-N 3.4Å; G118-R123 VanDerWaalsContact O-CA 3.31Å; G118-R123 WeakPolarHBondContact O-CA 3.47Å; G118-G124 PolarHBondContact O-N 2.99Å; G118-F125 CarbonylContact C-O 3.59Å; G118-F125 VanDerWaalsContact CA-O 3.28Å; G118-F125 WeakPolarHBondContact CA-O 3.42Å
119	N	98.1	Very high	98.1	Very high	40 Å²	40	77.7 Å²	77.7	21%	0.214	44%	0.443	C	S	.	.	S	Bend	trans	-95.6	-0.2	-174	-68.8	-77.2	0	0	0	114.4	N117 G126 W171	N117-N119 VanDerWaalsContact C-N 3.31Å; N117-N119 PolarHBondContact O-N 3.01Å; N117-N119 PolarHBondContact O-ND2 3.18Å; N117-N119 VanDerWaalsContact O-ND2 3.09Å; N117-N119 PolarHBondContact OD1-N 3.1Å; N119-G126 PolarHBondContact ND2-O 3.32Å; N119-G126 PolarHBondContact OD1-O 3.47Å; N119-W171 HydrophobicContact CB-CD2 4.21Å; N119-W171 HydrophobicContact CB-CH2 4.26Å; N119-W171 HydrophobicContact CB-CZ2 3.9Å
120	S	97.9	Very high	98.1	Very high	57 Å²	57	71.9 Å²	71.9	40%	0.399	41%	0.412	S	S	.	.	S	Bend	trans	-123.4	168.9	167.1	62.3	0	0	0	0	109.9	H116 P122 R123	H116-S120 PolarHBondContact CE1-O 3.44Å; H116-S120 PolarHBondContact NE2-O 3.04Å; H116-S120 PolarHBondContact NE2-OG 3.43Å; S120-P122 CarbonylContact O-C 3.57Å; S120-R123 WeakPolarHBondContact O-CG 3.45Å; S120-R123 PolarHBondContact O-N 2.99Å
121	D	96.8	Very high	98.1	Very high	118 Å²	118	71.6 Å²	71.6	63%	0.631	42%	0.419	S	S	*	.	S	Bend	trans	-64.3	133.4	178.7	-70	-50.7	0	0	0	111.5	R123	D121-R123 IonicContact OD1-CZ 3.6Å; D121-R123 IonicContact OD1-NH1 3.82Å; D121-R123 PolarHBondContact OD1-NH1 3.08Å; D121-R123 IonicContact OD2-CZ 2.77Å; D121-R123 IonicContact OD2-NH1 2.63Å; D121-R123 PolarHBondContact OD2-NH1 2.99Å; D121-R123 IonicContact OD2-NH2 3.65Å
122	P	97.5	Very high	98.2	Very high	105 Å²	105	63.3 Å²	63.3	68%	0.682	38%	0.382	S	S	*	.	S	Bend	cis	-78.4	126	-2.3	32.1	-33.4	0	0	0	112.8	H116 S120	H116-P122 PolarHBondContact CE1-O 2.72Å; S120-P122 CarbonylContact O-C 3.57Å
123	R	97.5	Very high	98.2	Very high	161 Å²	161	63.1 Å²	63.1	61%	0.608	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-79	153.1	-178.7	-66.4	179.5	180	83.7	1.6	112.8	G118 S120 D121	G118-R123 VanDerWaalsContact O-CA 3.31Å; G118-R123 WeakPolarHBondContact O-CA 3.47Å; S120-R123 WeakPolarHBondContact O-CG 3.45Å; S120-R123 PolarHBondContact O-N 2.99Å; D121-R123 IonicContact OD1-CZ 3.6Å; D121-R123 IonicContact OD1-NH1 3.82Å; D121-R123 PolarHBondContact OD1-NH1 3.08Å; D121-R123 IonicContact OD2-CZ 2.77Å; D121-R123 IonicContact OD2-NH1 2.63Å; D121-R123 PolarHBondContact OD2-NH1 2.99Å; D121-R123 IonicContact OD2-NH2 3.65Å
124	G	97.9	Very high	98.2	Very high	69 Å²	69	63.9 Å²	63.9	71%	0.711	39%	0.388	S	S	*	.			trans	-168.3	-99.2	177.8	0	0	0	0	0	111.6	G118	G118-G124 PolarHBondContact O-N 2.99Å
125	F	98.4	Very high	98.2	Very high	75 Å²	75	59.4 Å²	59.4	33%	0.329	36%	0.356	S	S	.	.			trans	-56.5	141.8	168.2	168.7	-99.1	0	0	0	111.1	L37 G118 H127 I128 Y170	L37-F125 HydrophobicContact CD2-CE1 4.03Å; L37-F125 HydrophobicContact CD2-CE2 4.36Å; L37-F125 HydrophobicContact CD2-CZ 3.92Å; G118-F125 CarbonylContact C-O 3.59Å; G118-F125 VanDerWaalsContact CA-O 3.28Å; G118-F125 WeakPolarHBondContact CA-O 3.42Å; F125-H127 WeakPolarHBondContact CE2-O 3.24Å; F125-I128 HydrophobicContact CE2-CG2 4.31Å; F125-I128 HydrophobicContact CZ-CG2 4.16Å; F125-Y170 HydrophobicContact CD1-CD1 4.22Å; F125-Y170 AromaticContact CE1-CD1 3.8Å; F125-Y170 HydrophobicContact CE1-CD1 3.8Å; F125-Y170 HydrophobicContact CE1-CE1 4.45Å
126	G	98.3	Very high	98.2	Very high	26 Å²	26	61.3 Å²	61.3	27%	0.268	37%	0.367	S	S	.	.			trans	-103.7	-68.9	177.2	0	0	0	0	0	112.4	N119	N119-G126 PolarHBondContact ND2-O 3.32Å; N119-G126 PolarHBondContact OD1-O 3.47Å
127	H	98.7	Very high	98.2	Very high	77 Å²	77	60.3 Å²	60.3	36%	0.356	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	164	-174.3	50.9	-96	0	0	0	111.2	F125 F163 W171 E173	F125-H127 WeakPolarHBondContact CE2-O 3.24Å; H127-F163 HydrophobicContact CB-CE1 4.25Å; H127-F163 AromaticContact CE1-CE1 3.76Å; H127-F163 AromaticContact CE1-CZ 4Å; H127-F163 AromaticContact CG-CE1 3.7Å; H127-F163 AromaticContact ND1-CE1 3.55Å; H127-W171 WeakPolarHBondContact CA-O 3.33Å; H127-W171 HydrophobicContact CB-CB 3.8Å; H127-W171 WeakPolarHBondContact CB-O 3.35Å; H127-E173 IonicContact NE2-OE2 3.98Å
128	I	98.8	Very high	98.2	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.128	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	162.9	157.5	58.4	171.1	0	0	0	109.2	T35 Y49 L99 F125 W171 I172 E173	T35-I128 HydrophobicContact CG2-CG2 4.05Å; Y49-I128 HydrophobicContact CE1-CD1 4.28Å; L99-I128 HydrophobicContact CD1-CD1 4.43Å; L99-I128 HydrophobicContact CD2-CD1 4.09Å; F125-I128 HydrophobicContact CE2-CG2 4.31Å; F125-I128 HydrophobicContact CZ-CG2 4.16Å; I128-W171 PolarHBondContact N-O 2.95Å; I128-I172 HydrophobicContact CD1-CD1 4.14Å; I128-I172 HydrophobicContact CD1-CG1 4.05Å; I128-I172 HydrophobicContact CD1-CG2 4.49Å; I128-I172 HydrophobicContact CG1-CB 4.3Å; I128-I172 HydrophobicContact CG1-CD1 4.43Å; I128-I172 HydrophobicContact CG1-CG1 3.79Å; I128-I172 HydrophobicContact CG1-CG2 4.14Å; I128-I172 CarbonylContact O-C 3.47Å; I128-I172 WeakPolarHBondContact O-CA 3.31Å; I128-E173 PolarHBondContact O-N 2.65Å
129	G	98.7	Very high	98.2	Very high	50 Å²	50	59.5 Å²	59.5	52%	0.515	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.9	179.7	0	0	0	0	0	112.3	E173	G129-E173 WeakPolarHBondContact CA-O 3.44Å
130	I	98.8	Very high	98.2	Very high	14 Å²	14	63.6 Å²	63.6	7%	0.072	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.5	175	-60.4	173.4	0	0	0	108.3	L53 M55 Y75 V132 I172 E173 I174 L175	L53-I130 HydrophobicContact CB-CD1 4.43Å; L53-I130 HydrophobicContact CD1-CD1 3.76Å; L53-I130 HydrophobicContact CD2-CD1 3.9Å; L53-I130 HydrophobicContact CG-CD1 4.25Å; M55-I130 HydrophobicContact CE-CD1 3.99Å; Y75-I130 HydrophobicContact CE2-CG2 4.2Å; I130-V132 HydrophobicContact CG2-CG1 4.02Å; I130-I172 HydrophobicContact CD1-CG2 3.75Å; I130-I172 HydrophobicContact CG1-CG2 4.03Å; I130-E173 PolarHBondContact N-O 3.28Å; I130-I174 HydrophobicContact CB-CD1 4.21Å; I130-L175 PolarHBondContact O-N 3.49Å
131	A	98.5	Very high	98.2	Very high	64 Å²	64	65.9 Å²	65.9	53%	0.529	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.4	172.1	0	0	0	0	0	110.1	L175 P177	A131-L175 CarbonylContact C-O 3.56Å; A131-L175 VanDerWaalsContact CA-O 3.31Å; A131-L175 WeakPolarHBondContact CA-O 3.3Å; A131-L175 HydrophobicContact CB-CD1 4.31Å; A131-P177 HydrophobicContact CB-CG 3.81Å
132	V	98.5	Very high	98.3	Very high	21 Å²	21	60.8 Å²	60.8	13%	0.127	35%	0.353	C	S	.	.			trans	-126	151.8	179.7	-61.8	0	0	0	0	111.3	I130 D134 V135 A138 I174 L175 N176	I130-V132 HydrophobicContact CG2-CG1 4.02Å; V132-D134 PolarHBondContact O-N 2.93Å; V132-V135 HydrophobicContact CG2-CB 4.44Å; V132-V135 HydrophobicContact CG2-CG2 3.79Å; V132-A138 HydrophobicContact CB-CB 4.49Å; V132-A138 HydrophobicContact CG1-CB 4.44Å; V132-A138 HydrophobicContact CG2-CB 4.23Å; V132-I174 HydrophobicContact CG1-CG2 4.18Å; V132-I174 HydrophobicContact CG2-CG2 3.65Å; V132-L175 PolarHBondContact N-O 2.92Å; V132-N176 WeakPolarHBondContact O-CA 3.15Å; V132-N176 WeakPolarHBondContact O-CB 3.36Å
133	P	98.1	Very high	98.4	Very high	124 Å²	124	60.1 Å²	60.1	81%	0.805	34%	0.341	S	S	*	.	S	Bend	trans	-63.6	-29.1	176.9	-22.7	33.9	0	0	0	113.6	N176	P133-N176 PolarHBondContact O-ND2 3.13Å
134	D	97.9	Very high	98.4	Very high	54 Å²	54	59 Å²	59	29%	0.289	34%	0.343	S	S	.	.			trans	-153.3	114.6	179.7	175	25	0	0	0	111.2	V132 H136 S137 A138	V132-D134 PolarHBondContact O-N 2.93Å; D134-H136 PolarHBondContact OD1-N 2.99Å; D134-S137 VanDerWaalsContact CB-OG 3.3Å; D134-S137 WeakPolarHBondContact CB-OG 3.42Å; D134-S137 PolarHBondContact O-OG 3.27Å; D134-S137 WeakPolarHBondContact OD2-CB 3.46Å; D134-S137 PolarHBondContact OD2-N 3.21Å; D134-S137 PolarHBondContact OD2-OG 3.05Å; D134-A138 WeakPolarHBondContact O-CB 3.42Å; D134-A138 PolarHBondContact O-N 3.25Å
135	V	98.2	Very high	98.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-36.5	-176.9	175.5	0	0	0	0	111.2	V132 C139 P153 G160 A162 I174 N176	V132-V135 HydrophobicContact CG2-CB 4.44Å; V132-V135 HydrophobicContact CG2-CG2 3.79Å; V135-C139 VanDerWaalsContact O-CB 3.26Å; V135-C139 WeakPolarHBondContact O-CB 3.25Å; V135-C139 PolarHBondContact O-N 3.14Å; V135-C139 PolarHBondContact O-SG 2.71Å; V135-P153 HydrophobicContact CG1-CB 4.08Å; V135-P153 HydrophobicContact CG1-CG 3.91Å; V135-G160 WeakPolarHBondContact CG2-O 3.42Å; V135-A162 HydrophobicContact CG1-CB 4.18Å; V135-I174 HydrophobicContact CG1-CG2 4.22Å; V135-I174 HydrophobicContact CG2-CG2 4.37Å; V135-N176 HydrophobicContact CG2-CB 3.93Å
136	H	97.8	Very high	98.4	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.375	34%	0.341	S	S	.	.	H	α-helix	trans	-69.8	-46.5	-176.7	-70.1	85.8	0	0	0	111.7	D134 C139 K140 D154	D134-H136 PolarHBondContact OD1-N 2.99Å; H136-C139 PolarHBondContact O-N 2.92Å; H136-K140 WeakPolarHBondContact O-CB 3.26Å; H136-K140 PolarHBondContact O-N 2.83Å; H136-D154 IonicContact CD2-OD2 3.58Å; H136-D154 IonicContact CE1-OD1 3.77Å; H136-D154 IonicContact NE2-OD1 2.95Å; H136-D154 PolarHBondContact NE2-OD1 3.08Å; H136-D154 IonicContact NE2-OD2 3.24Å; H136-D154 PolarHBondContact NE2-OD2 2.82Å
137	S	98.3	Very high	98.5	Very high	65 Å²	65	58 Å²	58	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-38.8	175.7	56.1	0	0	0	0	113	D134 K140 R141	D134-S137 VanDerWaalsContact CB-OG 3.3Å; D134-S137 WeakPolarHBondContact CB-OG 3.42Å; D134-S137 PolarHBondContact O-OG 3.27Å; D134-S137 WeakPolarHBondContact OD2-CB 3.46Å; D134-S137 PolarHBondContact OD2-N 3.21Å; D134-S137 PolarHBondContact OD2-OG 3.05Å; S137-K140 PolarHBondContact O-N 2.81Å; S137-R141 PolarHBondContact O-N 3.43Å; S137-R141 VanDerWaalsContact O-N 3.16Å
138	A	98.7	Very high	98.4	Very high	18 Å²	18	61.5 Å²	61.5	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-47.9	173.4	0	0	0	0	0	111.4	V132 D134 K140 R141 F142 I174	V132-A138 HydrophobicContact CB-CB 4.49Å; V132-A138 HydrophobicContact CG1-CB 4.44Å; V132-A138 HydrophobicContact CG2-CB 4.23Å; D134-A138 WeakPolarHBondContact O-CB 3.42Å; D134-A138 PolarHBondContact O-N 3.25Å; A138-K140 PolarHBondContact O-N 3.18Å; A138-R141 PolarHBondContact O-N 2.8Å; A138-F142 HydrophobicContact CB-CE2 4.06Å; A138-F142 HydrophobicContact CB-CZ 4.31Å; A138-F142 VanDerWaalsContact O-CD2 3.27Å; A138-F142 WeakPolarHBondContact O-CD2 3.49Å; A138-F142 WeakPolarHBondContact O-CG 3.41Å; A138-F142 PolarHBondContact O-N 2.88Å; A138-I174 HydrophobicContact CB-CG2 4.47Å
139	C	98.5	Very high	98.4	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-36.7	179.9	-68.4	0	0	0	0	112.9	V135 H136 R141 F142 E143 F149 P153 A162	V135-C139 VanDerWaalsContact O-CB 3.26Å; V135-C139 WeakPolarHBondContact O-CB 3.25Å; V135-C139 PolarHBondContact O-N 3.14Å; V135-C139 PolarHBondContact O-SG 2.71Å; H136-C139 PolarHBondContact O-N 2.92Å; C139-R141 VanDerWaalsContact C-N 3.32Å; C139-R141 PolarHBondContact O-N 2.86Å; C139-F142 WeakPolarHBondContact O-CB 3.31Å; C139-F142 PolarHBondContact O-N 2.84Å; C139-F142 VanDerWaalsContact O-N 3.1Å; C139-E143 WeakPolarHBondContact O-CG 3.07Å; C139-E143 PolarHBondContact O-N 3.03Å; C139-F149 HydrophobicContact CB-CE1 3.88Å; C139-F149 HydrophobicContact CB-CZ 3.82Å; C139-P153 HydrophobicContact CB-CG 3.56Å; C139-P153 WeakPolarHBondContact SG-CG 3.47Å; C139-A162 VanDerWaalsContact SG-CB 3.52Å
140	K	98.5	Very high	98.4	Very high	126 Å²	126	62.4 Å²	62.4	55%	0.548	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-46.3	172.4	-176.4	-175.8	175.6	-169.5	0	111.3	H136 S137 A138 F142 E143 E144	H136-K140 WeakPolarHBondContact O-CB 3.26Å; H136-K140 PolarHBondContact O-N 2.83Å; S137-K140 PolarHBondContact O-N 2.81Å; A138-K140 PolarHBondContact O-N 3.18Å; K140-F142 VanDerWaalsContact C-N 3.32Å; K140-F142 PolarHBondContact O-N 2.7Å; K140-E143 PolarHBondContact O-N 2.94Å; K140-E144 VanDerWaalsContact CE-OE1 3.26Å; K140-E144 WeakPolarHBondContact CE-OE1 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.42Å; K140-E144 PolarHBondContact O-N 3.1Å
141	R	98.6	Very high	98.3	Very high	106 Å²	106	63.5 Å²	63.5	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-39.5	174.7	177.4	174.8	169.3	-80.9	0.6	111.8	R51 V52 S137 A138 C139 E144 L145	R51-R141 PolarHBondContact O-NH2 2.96Å; V52-R141 PolarHBondContact O-NH1 2.9Å; S137-R141 PolarHBondContact O-N 3.43Å; S137-R141 VanDerWaalsContact O-N 3.16Å; A138-R141 PolarHBondContact O-N 2.8Å; C139-R141 VanDerWaalsContact C-N 3.32Å; C139-R141 PolarHBondContact O-N 2.86Å; R141-E144 PolarHBondContact O-N 2.96Å; R141-L145 HydrophobicContact CG-CD1 4.06Å; R141-L145 HydrophobicContact CG-CG 4.49Å; R141-L145 WeakPolarHBondContact O-CB 3.21Å; R141-L145 VanDerWaalsContact O-CG 3.27Å; R141-L145 WeakPolarHBondContact O-CG 3.45Å; R141-L145 PolarHBondContact O-N 3.13Å
142	F	98.7	Very high	98.3	Very high	10 Å²	10	64.5 Å²	64.5	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-40.5	176.3	-60.9	-31.3	0	0	0	112.1	V52 L53 A138 C139 K140 L145 G146 V147 F149 I164 I174	V52-F142 HydrophobicContact CG1-CD1 3.81Å; V52-F142 HydrophobicContact CG1-CE1 4.01Å; L53-F142 HydrophobicContact CD2-CE1 3.99Å; L53-F142 HydrophobicContact CD2-CZ 3.9Å; A138-F142 HydrophobicContact CB-CE2 4.06Å; A138-F142 HydrophobicContact CB-CZ 4.31Å; A138-F142 VanDerWaalsContact O-CD2 3.27Å; A138-F142 WeakPolarHBondContact O-CD2 3.49Å; A138-F142 WeakPolarHBondContact O-CG 3.41Å; A138-F142 PolarHBondContact O-N 2.88Å; C139-F142 WeakPolarHBondContact O-CB 3.31Å; C139-F142 PolarHBondContact O-N 2.84Å; C139-F142 VanDerWaalsContact O-N 3.1Å; K140-F142 VanDerWaalsContact C-N 3.32Å; K140-F142 PolarHBondContact O-N 2.7Å; F142-L145 CarbonylContact O-C 3.54Å; F142-L145 PolarHBondContact O-N 3.49Å; F142-G146 PolarHBondContact O-N 3.33Å; F142-V147 HydrophobicContact CB-CB 3.85Å; F142-V147 HydrophobicContact CB-CG1 4.26Å; F142-V147 HydrophobicContact CB-CG2 3.92Å; F142-V147 HydrophobicContact CD1-CG2 4.4Å; F142-V147 HydrophobicContact CG-CG2 4.47Å; F142-V147 VanDerWaalsContact O-CB 3.27Å; F142-V147 WeakPolarHBondContact O-CB 3.31Å; F142-V147 VanDerWaalsContact O-CG2 3.31Å; F142-V147 WeakPolarHBondContact O-CG2 3.5Å; F142-V147 PolarHBondContact O-N 2.88Å; F142-F149 HydrophobicContact CB-CE2 4.05Å; F142-F149 HydrophobicContact CB-CZ 3.82Å; F142-F149 HydrophobicContact CD2-CZ 4.46Å; F142-I164 HydrophobicContact CD2-CD1 4.27Å; F142-I164 HydrophobicContact CD2-CG2 4.14Å; F142-I164 HydrophobicContact CE2-CD1 4.19Å; F142-I164 HydrophobicContact CZ-CD1 4.47Å; F142-I174 HydrophobicContact CE2-CD1 3.89Å; F142-I174 HydrophobicContact CE2-CG1 3.95Å; F142-I174 HydrophobicContact CE2-CG2 4.32Å; F142-I174 HydrophobicContact CZ-CD1 4.33Å
143	E	98.1	Very high	98.2	Very high	92 Å²	92	64 Å²	64	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-45.2	173.5	-70.2	-177.3	115.4	0	0	112	C139 K140 L145 G146 F149 K152	C139-E143 WeakPolarHBondContact O-CG 3.07Å; C139-E143 PolarHBondContact O-N 3.03Å; K140-E143 PolarHBondContact O-N 2.94Å; E143-L145 PolarHBondContact O-N 3.22Å; E143-G146 PolarHBondContact O-N 2.93Å; E143-F149 HydrophobicContact CG-CD2 4.38Å; E143-F149 HydrophobicContact CG-CE2 3.56Å; E143-F149 HydrophobicContact CG-CZ 3.99Å; E143-K152 VanDerWaalsContact OE1-CE 3.31Å; E143-K152 WeakPolarHBondContact OE1-CE 3.19Å; E143-K152 IonicContact OE1-NZ 2.85Å; E143-K152 PolarHBondContact OE1-NZ 2.79Å
144	E	98.5	Very high	98.1	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-30.7	176.1	-71.3	169.2	-177.9	0	0	112.5	K140 R141 G146	K140-E144 VanDerWaalsContact CE-OE1 3.26Å; K140-E144 WeakPolarHBondContact CE-OE1 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.42Å; K140-E144 PolarHBondContact O-N 3.1Å; R141-E144 PolarHBondContact O-N 2.96Å; E144-G146 VanDerWaalsContact C-N 3.33Å
145	L	98.5	Very high	97.9	Very high	65 Å²	65	63.5 Å²	63.5	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.7	176.2	-65.8	176.7	0	0	0	113.8	V52 R141 F142 E143 V147	V52-L145 HydrophobicContact CG1-CD1 4.35Å; V52-L145 HydrophobicContact CG2-CD1 4.41Å; R141-L145 HydrophobicContact CG-CD1 4.06Å; R141-L145 HydrophobicContact CG-CG 4.49Å; R141-L145 WeakPolarHBondContact O-CB 3.21Å; R141-L145 VanDerWaalsContact O-CG 3.27Å; R141-L145 WeakPolarHBondContact O-CG 3.45Å; R141-L145 PolarHBondContact O-N 3.13Å; F142-L145 CarbonylContact O-C 3.54Å; F142-L145 PolarHBondContact O-N 3.49Å; E143-L145 PolarHBondContact O-N 3.22Å; L145-V147 VanDerWaalsContact C-N 3.34Å; L145-V147 HydrophobicContact CB-CG2 4.23Å; L145-V147 PolarHBondContact O-N 3.4Å
146	G	98.4	Very high	97.5	Very high	64 Å²	64	66 Å²	66	66%	0.66	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	24.6	179.1	0	0	0	0	0	114.5	F142 E143 E144	F142-G146 PolarHBondContact O-N 3.33Å; E143-G146 PolarHBondContact O-N 2.93Å; E144-G146 VanDerWaalsContact C-N 3.33Å
147	V	98.6	Very high	97	Very high	18 Å²	18	72 Å²	72	11%	0.109	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-67.9	139.2	178.8	176.6	0	0	0	0	110.5	F48 V52 F142 L145 F149 I164	F48-V147 HydrophobicContact CE2-CG1 4.25Å; V52-V147 HydrophobicContact CG1-CG2 3.55Å; F142-V147 HydrophobicContact CB-CB 3.85Å; F142-V147 HydrophobicContact CB-CG1 4.26Å; F142-V147 HydrophobicContact CB-CG2 3.92Å; F142-V147 HydrophobicContact CD1-CG2 4.4Å; F142-V147 HydrophobicContact CG-CG2 4.47Å; F142-V147 VanDerWaalsContact O-CB 3.27Å; F142-V147 WeakPolarHBondContact O-CB 3.31Å; F142-V147 VanDerWaalsContact O-CG2 3.31Å; F142-V147 WeakPolarHBondContact O-CG2 3.5Å; F142-V147 PolarHBondContact O-N 2.88Å; L145-V147 VanDerWaalsContact C-N 3.34Å; L145-V147 HydrophobicContact CB-CG2 4.23Å; L145-V147 PolarHBondContact O-N 3.4Å; V147-F149 WeakPolarHBondContact O-CD2 3.27Å; V147-I164 HydrophobicContact CG1-CB 3.79Å; V147-I164 HydrophobicContact CG1-CD1 4.13Å; V147-I164 HydrophobicContact CG1-CG1 4.47Å; V147-I164 HydrophobicContact CG1-CG2 3.96Å
148	K	98.6	Very high	96.6	Very high	151 Å²	151	74 Å²	74	66%	0.657	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-77.1	129.4	176.3	-68.6	-177.1	179.3	179.3	0	110.7	I164 Q165	K148-I164 CarbonylContact O-C 3.51Å; K148-I164 VanDerWaalsContact O-CA 3.3Å; K148-I164 WeakPolarHBondContact O-CA 3.27Å; K148-Q165 HydrophobicContact CB-CB 4.26Å; K148-Q165 PolarHBondContact O-N 3.42Å
149	F	98.6	Very high	96.3	Very high	42 Å²	42	78.2 Å²	78.2	18%	0.184	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.1	174	-76.8	-99.3	0	0	0	110.9	C139 F142 E143 V147 K152 A162 I164	C139-F149 HydrophobicContact CB-CE1 3.88Å; C139-F149 HydrophobicContact CB-CZ 3.82Å; F142-F149 HydrophobicContact CB-CE2 4.05Å; F142-F149 HydrophobicContact CB-CZ 3.82Å; F142-F149 HydrophobicContact CD2-CZ 4.46Å; E143-F149 HydrophobicContact CG-CD2 4.38Å; E143-F149 HydrophobicContact CG-CE2 3.56Å; E143-F149 HydrophobicContact CG-CZ 3.99Å; V147-F149 WeakPolarHBondContact O-CD2 3.27Å; F149-K152 HydrophobicContact CB-CG 4.08Å; F149-K152 HydrophobicContact CD1-CB 4.47Å; F149-K152 HydrophobicContact CD1-CG 3.93Å; F149-K152 HydrophobicContact CG-CG 3.96Å; F149-A162 HydrophobicContact CE1-CB 4.36Å; F149-I164 HydrophobicContact CD1-CG2 3.75Å; F149-I164 HydrophobicContact CE1-CG2 3.62Å; F149-I164 HydrophobicContact CE2-CG2 4.39Å; F149-I164 HydrophobicContact CG-CG2 4.22Å; F149-I164 HydrophobicContact CZ-CG2 3.97Å
150	V	98	Very high	96.1	Very high	53 Å²	53	79 Å²	79	32%	0.321	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-39.6	161.8	-178.8	0	0	0	0	109.7	F163 Q165 W171	V150-F163 HydrophobicContact CB-CB 3.79Å; V150-F163 HydrophobicContact CG1-CB 4.4Å; V150-F163 HydrophobicContact CG2-CB 4.39Å; V150-F163 PolarHBondContact N-O 2.63Å; V150-Q165 HydrophobicContact CG2-CG 3.45Å; V150-Q165 VanDerWaalsContact CG2-CG 3.45Å; V150-W171 HydrophobicContact CB-CD2 4.4Å; V150-W171 HydrophobicContact CB-CZ2 4.43Å; V150-W171 HydrophobicContact CG1-CD2 3.94Å; V150-W171 HydrophobicContact CG1-CE3 3.98Å; V150-W171 HydrophobicContact CG1-CH2 3.43Å; V150-W171 VanDerWaalsContact CG1-CH2 3.43Å; V150-W171 HydrophobicContact CG1-CZ2 3.35Å; V150-W171 HydrophobicContact CG1-CZ3 3.74Å; V150-W171 HydrophobicContact CG2-CD2 3.89Å; V150-W171 HydrophobicContact CG2-CG 3.98Å; V150-W171 HydrophobicContact CG2-CZ2 4.24Å
151	K	97.5	Very high	96	Very high	37 Å²	37	73.4 Å²	73.4	16%	0.161	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	122	179.5	-179.1	-167.8	176.4	-59.9	0	109.1	D155 M158 L161 A162 F163	K151-D155 WeakPolarHBondContact CE-O 3.47Å; K151-D155 HydrophobicContact CG-CB 4.04Å; K151-D155 PolarHBondContact NZ-O 2.81Å; K151-M158 PolarHBondContact NZ-O 3.45Å; K151-L161 PolarHBondContact NZ-O 3.28Å; K151-A162 VanDerWaalsContact O-CA 3.31Å; K151-A162 WeakPolarHBondContact O-CA 3.07Å; K151-A162 WeakPolarHBondContact O-CB 3.08Å; K151-F163 HydrophobicContact CB-CB 4.27Å; K151-F163 HydrophobicContact CB-CD2 4.3Å; K151-F163 HydrophobicContact CD-CD2 4.25Å; K151-F163 PolarHBondContact N-O 3.02Å; K151-F163 VanDerWaalsContact N-O 3.14Å; K151-F163 PolarHBondContact O-N 3.37Å
152	K	97.6	Very high	96	Very high	84 Å²	84	68.4 Å²	68.4	37%	0.365	36%	0.361	S	S	.	.			trans	-75.6	161.4	171.7	-62.6	-169.7	178.1	-171.2	0	111.3	E143 F149 D154 D155	E143-K152 VanDerWaalsContact OE1-CE 3.31Å; E143-K152 WeakPolarHBondContact OE1-CE 3.19Å; E143-K152 IonicContact OE1-NZ 2.85Å; E143-K152 PolarHBondContact OE1-NZ 2.79Å; F149-K152 HydrophobicContact CB-CG 4.08Å; F149-K152 HydrophobicContact CD1-CB 4.47Å; F149-K152 HydrophobicContact CD1-CG 3.93Å; F149-K152 HydrophobicContact CG-CG 3.96Å; K152-D154 PolarHBondContact O-N 3.05Å; K152-D154 VanDerWaalsContact O-N 3.08Å; K152-D155 VanDerWaalsContact CB-OD2 3.26Å; K152-D155 WeakPolarHBondContact CB-OD2 3.4Å; K152-D155 PolarHBondContact N-OD2 2.91Å; K152-D155 PolarHBondContact O-N 2.73Å
153	P	96.4	Very high	96	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.071	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-39.1	-176	-29.4	35.8	0	0	0	113.8	V135 C139 K159 G160 L161 A162	V135-P153 HydrophobicContact CG1-CB 4.08Å; V135-P153 HydrophobicContact CG1-CG 3.91Å; C139-P153 HydrophobicContact CB-CG 3.56Å; C139-P153 WeakPolarHBondContact SG-CG 3.47Å; P153-K159 CarbonylContact O-C 3.59Å; P153-K159 WeakPolarHBondContact O-CA 3.1Å; P153-G160 PolarHBondContact O-N 2.78Å; P153-L161 WeakPolarHBondContact CA-O 3.15Å; P153-A162 HydrophobicContact CG-CB 3.99Å
154	D	95.2	Very high	96	Very high	87 Å²	87	64.8 Å²	64.8	47%	0.465	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.8	-174.5	-57.9	-40.5	0	0	0	113.6	H136 K152 K159	H136-D154 IonicContact CD2-OD2 3.58Å; H136-D154 IonicContact CE1-OD1 3.77Å; H136-D154 IonicContact NE2-OD1 2.95Å; H136-D154 PolarHBondContact NE2-OD1 3.08Å; H136-D154 IonicContact NE2-OD2 3.24Å; H136-D154 PolarHBondContact NE2-OD2 2.82Å; K152-D154 PolarHBondContact O-N 3.05Å; K152-D154 VanDerWaalsContact O-N 3.08Å; D154-K159 HydrophobicContact CB-CD 4.45Å; D154-K159 PolarHBondContact O-NZ 2.66Å
155	D	93.7	Very high	96	Very high	81 Å²	81	60.5 Å²	60.5	43%	0.433	32%	0.324	S	S	.	.	S	Bend	trans	-79.7	147.5	172.6	-67.3	-19.1	0	0	0	110.9	K151 K152	K151-D155 WeakPolarHBondContact CE-O 3.47Å; K151-D155 HydrophobicContact CG-CB 4.04Å; K151-D155 PolarHBondContact NZ-O 2.81Å; K152-D155 VanDerWaalsContact CB-OD2 3.26Å; K152-D155 WeakPolarHBondContact CB-OD2 3.4Å; K152-D155 PolarHBondContact N-OD2 2.91Å; K152-D155 PolarHBondContact O-N 2.73Å
156	G	90	Very high	96	Very high	56 Å²	56	57.8 Å²	57.8	58%	0.577	31%	0.31	S	S	*	.	S	Bend	trans	69.5	-161	176.3	0	0	0	0	0	114.5	K159	G156-K159 WeakPolarHBondContact O-CE 3.32Å; G156-K159 PolarHBondContact O-NZ 3.44Å
157	K	88.6	Confident	96	Very high	207 Å²	207	57.6 Å²	57.6	90%	0.9	30%	0.297	S	S	*	.	S	Bend	trans	-81	-41.5	-175.2	-67.8	-175.5	179.4	-179.4	0	113.3	K159	K157-K159 PolarHBondContact O-N 3.49Å
158	M	89.2	Confident	96.1	Very high	106 Å²	106	58 Å²	58	52%	0.522	30%	0.299	S	S	.	.	S	Bend	trans	-82.4	100.5	-179.7	-66.7	169.5	177.3	0	0	109.8	K151 L161 L183	K151-M158 PolarHBondContact NZ-O 3.45Å; M158-L161 HydrophobicContact SD-CD2 4.32Å; M158-L183 HydrophobicContact CB-CD2 4.49Å
159	K	92.4	Very high	96.1	Very high	107 Å²	107	51.4 Å²	51.4	47%	0.465	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	147.5	178.9	-56.5	-55.8	-172.8	-167.7	0	111.1	P153 D154 G156 K157 L161 L183	P153-K159 CarbonylContact O-C 3.59Å; P153-K159 WeakPolarHBondContact O-CA 3.1Å; D154-K159 HydrophobicContact CB-CD 4.45Å; D154-K159 PolarHBondContact O-NZ 2.66Å; G156-K159 WeakPolarHBondContact O-CE 3.32Å; G156-K159 PolarHBondContact O-NZ 3.44Å; K157-K159 PolarHBondContact O-N 3.49Å; K159-L161 VanDerWaalsContact C-N 3.29Å; K159-L161 PolarHBondContact O-N 3.11Å; K159-L183 WeakPolarHBondContact O-CD2 3.49Å
160	G	93.9	Very high	96.1	Very high	19 Å²	19	50.2 Å²	50.2	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	17.7	-179.4	0	0	0	0	0	115	V135 P153	V135-G160 WeakPolarHBondContact CG2-O 3.42Å; P153-G160 PolarHBondContact O-N 2.78Å
161	L	96.6	Very high	96.1	Very high	8 Å²	8	51 Å²	51	4%	0.042	27%	0.265	C	S	.	.			trans	-125.5	133.9	172.1	-176.1	73.2	0	0	0	109	K151 P153 M158 K159 F163 E173 L175 M180 L183	K151-L161 PolarHBondContact NZ-O 3.28Å; P153-L161 WeakPolarHBondContact CA-O 3.15Å; M158-L161 HydrophobicContact SD-CD2 4.32Å; K159-L161 VanDerWaalsContact C-N 3.29Å; K159-L161 PolarHBondContact O-N 3.11Å; L161-F163 HydrophobicContact CD2-CE2 4.16Å; L161-F163 HydrophobicContact CG-CE2 4.49Å; L161-E173 HydrophobicContact CD1-CG 3.77Å; L161-E173 HydrophobicContact CG-CG 4.46Å; L161-L175 HydrophobicContact CD1-CB 3.68Å; L161-M180 HydrophobicContact CD1-CE 4.26Å; L161-M180 HydrophobicContact CD1-SD 4.17Å; L161-L183 HydrophobicContact CB-CD1 4.44Å
162	A	98.2	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.5	-179.6	0	0	0	0	0	112.6	V135 C139 F149 K151 P153 I174	V135-A162 HydrophobicContact CG1-CB 4.18Å; C139-A162 VanDerWaalsContact SG-CB 3.52Å; F149-A162 HydrophobicContact CE1-CB 4.36Å; K151-A162 VanDerWaalsContact O-CA 3.31Å; K151-A162 WeakPolarHBondContact O-CA 3.07Å; K151-A162 WeakPolarHBondContact O-CB 3.08Å; P153-A162 HydrophobicContact CG-CB 3.99Å; A162-I174 HydrophobicContact CB-CB 4.28Å; A162-I174 PolarHBondContact N-O 3.19Å; A162-I174 VanDerWaalsContact N-O 3.16Å; A162-I174 PolarHBondContact O-N 3.1Å
163	F	98.7	Very high	96.2	Very high	26 Å²	26	46.9 Å²	46.9	11%	0.114	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.9	169.9	-75.5	-90.7	0	0	0	109.4	H127 V150 K151 L161 W171 I172 E173	H127-F163 HydrophobicContact CB-CE1 4.25Å; H127-F163 AromaticContact CE1-CE1 3.76Å; H127-F163 AromaticContact CE1-CZ 4Å; H127-F163 AromaticContact CG-CE1 3.7Å; H127-F163 AromaticContact ND1-CE1 3.55Å; V150-F163 HydrophobicContact CB-CB 3.79Å; V150-F163 HydrophobicContact CG1-CB 4.4Å; V150-F163 HydrophobicContact CG2-CB 4.39Å; V150-F163 PolarHBondContact N-O 2.63Å; K151-F163 HydrophobicContact CB-CB 4.27Å; K151-F163 HydrophobicContact CB-CD2 4.3Å; K151-F163 HydrophobicContact CD-CD2 4.25Å; K151-F163 PolarHBondContact N-O 3.02Å; K151-F163 VanDerWaalsContact N-O 3.14Å; K151-F163 PolarHBondContact O-N 3.37Å; L161-F163 HydrophobicContact CD2-CE2 4.16Å; L161-F163 HydrophobicContact CG-CE2 4.49Å; F163-W171 HydrophobicContact CD1-CB 4.35Å; F163-W171 HydrophobicContact CD1-CE3 4.19Å; F163-I172 WeakPolarHBondContact CA-O 3.26Å; F163-E173 HydrophobicContact CD1-CB 4.03Å; F163-E173 HydrophobicContact CD1-CG 4.48Å; F163-E173 HydrophobicContact CE1-CB 3.54Å; F163-E173 HydrophobicContact CE1-CG 3.87Å; F163-E173 HydrophobicContact CE2-CG 4.26Å; F163-E173 HydrophobicContact CZ-CB 3.98Å; F163-E173 HydrophobicContact CZ-CG 3.76Å; F163-E173 WeakPolarHBondContact CZ-OE2 3.43Å
164	I	98.8	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	169.1	173	65.5	175.8	0	0	0	110.4	F48 L53 F142 V147 K148 F149 W171 I172 I174	F48-I164 HydrophobicContact CZ-CD1 4.07Å; L53-I164 HydrophobicContact CD2-CD1 3.99Å; F142-I164 HydrophobicContact CD2-CD1 4.27Å; F142-I164 HydrophobicContact CD2-CG2 4.14Å; F142-I164 HydrophobicContact CE2-CD1 4.19Å; F142-I164 HydrophobicContact CZ-CD1 4.47Å; V147-I164 HydrophobicContact CG1-CB 3.79Å; V147-I164 HydrophobicContact CG1-CD1 4.13Å; V147-I164 HydrophobicContact CG1-CG1 4.47Å; V147-I164 HydrophobicContact CG1-CG2 3.96Å; K148-I164 CarbonylContact O-C 3.51Å; K148-I164 VanDerWaalsContact O-CA 3.3Å; K148-I164 WeakPolarHBondContact O-CA 3.27Å; F149-I164 HydrophobicContact CD1-CG2 3.75Å; F149-I164 HydrophobicContact CE1-CG2 3.62Å; F149-I164 HydrophobicContact CE2-CG2 4.39Å; F149-I164 HydrophobicContact CG-CG2 4.22Å; F149-I164 HydrophobicContact CZ-CG2 3.97Å; I164-W171 WeakPolarHBondContact O-CA 3.39Å; I164-I172 HydrophobicContact CD1-CB 4.46Å; I164-I172 HydrophobicContact CG1-CB 3.82Å; I164-I172 HydrophobicContact CG1-CG2 4.35Å; I164-I172 PolarHBondContact N-O 3.32Å; I164-I172 PolarHBondContact O-N 3.18Å; I164-I174 HydrophobicContact CD1-CD1 4.06Å; I164-I174 HydrophobicContact CD1-CG1 4.38Å; I164-I174 HydrophobicContact CG1-CD1 4.37Å; I164-I174 HydrophobicContact CG1-CG1 4.35Å; I164-I174 HydrophobicContact CG2-CG1 4.48Å
165	Q	98.8	Very high	96.5	Very high	49 Å²	49	43.7 Å²	43.7	23%	0.229	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.8	171.8	-59.8	-171.8	-76.4	0	0	111.7	F48 K148 V150 G169 Y170	F48-Q165 WeakPolarHBondContact CE2-O 3.39Å; F48-Q165 WeakPolarHBondContact CZ-O 3.42Å; K148-Q165 HydrophobicContact CB-CB 4.26Å; K148-Q165 PolarHBondContact O-N 3.42Å; V150-Q165 HydrophobicContact CG2-CG 3.45Å; V150-Q165 VanDerWaalsContact CG2-CG 3.45Å; Q165-G169 PolarHBondContact NE2-O 3.41Å; Q165-G169 VanDerWaalsContact NE2-O 3.09Å; Q165-Y170 WeakPolarHBondContact CA-O 3.44Å
166	D	98.9	Very high	96.6	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.043	21%	0.212	C	C	.	.			trans	-76.8	178.5	163.1	89.5	-29.5	0	0	0	111.1	F48 Y49 D168 G169 Y170 I172	F48-D166 HydrophobicContact CD1-CB 3.88Å; F48-D166 HydrophobicContact CE1-CB 3.58Å; F48-D166 HydrophobicContact CZ-CB 4.12Å; Y49-D166 HydrophobicContact CE2-CB 4.41Å; Y49-D166 PolarHBondContact OH-OD2 3.23Å; Y49-D166 VanDerWaalsContact OH-OD2 3.07Å; D166-D168 PolarHBondContact O-N 2.9Å; D166-D168 WeakPolarHBondContact OD1-CA 3.43Å; D166-D168 PolarHBondContact OD1-N 3.16Å; D166-G169 PolarHBondContact O-N 2.98Å; D166-G169 VanDerWaalsContact O-N 3.08Å; D166-G169 PolarHBondContact OD1-N 3.45Å; D166-Y170 PolarHBondContact N-O 3.36Å; D166-Y170 VanDerWaalsContact N-O 3.12Å; D166-Y170 WeakPolarHBondContact OD1-CB 3.26Å; D166-Y170 PolarHBondContact OD1-N 2.82Å; D166-I172 HydrophobicContact CB-CD1 4.13Å
167	P	98.7	Very high	97	Very high	60 Å²	60	41 Å²	41	39%	0.39	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.5	179.5	-26.4	37.4	0	0	0	114.9	K44 F48 G169	K44-P167 HydrophobicContact CB-CB 3.85Å; K44-P167 HydrophobicContact CB-CG 4.02Å; F48-P167 HydrophobicContact CB-CG 3.71Å; F48-P167 HydrophobicContact CD2-CG 4.5Å; F48-P167 HydrophobicContact CG-CG 4.1Å; P167-G169 VanDerWaalsContact C-N 3.35Å
168	D	98.8	Very high	97.3	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.134	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.2	178.2	-75.4	-86	0	0	0	112.6	V39 K40 S45 D166 Y170	V39-D168 WeakPolarHBondContact CA-OD2 3.47Å; V39-D168 WeakPolarHBondContact CB-OD2 3.41Å; K40-D168 WeakPolarHBondContact CB-OD1 3.29Å; K40-D168 PolarHBondContact N-OD1 2.9Å; K40-D168 PolarHBondContact N-OD2 2.89Å; S45-D168 PolarHBondContact OG-OD2 3.28Å; D166-D168 PolarHBondContact O-N 2.9Å; D166-D168 WeakPolarHBondContact OD1-CA 3.43Å; D166-D168 PolarHBondContact OD1-N 3.16Å; D168-Y170 HydrophobicContact CB-CD2 3.83Å; D168-Y170 HydrophobicContact CB-CE2 3.85Å
169	G	98.7	Very high	97.5	Very high	13 Å²	13	38.8 Å²	38.8	13%	0.134	20%	0.201	C	C	.	.			trans	87.2	6.5	176.8	0	0	0	0	0	114.6	N117 Q165 D166 P167	N117-G169 WeakPolarHBondContact CB-O 3.37Å; N117-G169 PolarHBondContact ND2-O 3.16Å; Q165-G169 PolarHBondContact NE2-O 3.41Å; Q165-G169 VanDerWaalsContact NE2-O 3.09Å; D166-G169 PolarHBondContact O-N 2.98Å; D166-G169 VanDerWaalsContact O-N 3.08Å; D166-G169 PolarHBondContact OD1-N 3.45Å; P167-G169 VanDerWaalsContact C-N 3.35Å
170	Y	98.9	Very high	97.3	Very high	17 Å²	17	35.9 Å²	35.9	7%	0.067	19%	0.19	C	C	.	.			trans	-61.8	137.9	171.4	-67.6	-66	0	0	0	110.7	L37 R38 H116 N117 F125 Q165 D166 D168	L37-Y170 HydrophobicContact CB-CD2 4.3Å; L37-Y170 HydrophobicContact CB-CE2 3.97Å; L37-Y170 HydrophobicContact CD1-CD2 3.95Å; L37-Y170 HydrophobicContact CD1-CE2 4.42Å; L37-Y170 HydrophobicContact CD1-CG 4Å; L37-Y170 HydrophobicContact CD2-CD1 4.18Å; L37-Y170 HydrophobicContact CD2-CE1 4.07Å; L37-Y170 HydrophobicContact CD2-CG 4.45Å; R38-Y170 VanDerWaalsContact O-CE2 3.27Å; R38-Y170 WeakPolarHBondContact O-CE2 3.27Å; R38-Y170 PolarHBondContact O-OH 3.24Å; H116-Y170 WeakPolarHBondContact O-CE1 3.3Å; N117-Y170 HydrophobicContact CB-CD1 3.98Å; N117-Y170 HydrophobicContact CB-CE1 4.43Å; F125-Y170 HydrophobicContact CD1-CD1 4.22Å; F125-Y170 AromaticContact CE1-CD1 3.8Å; F125-Y170 HydrophobicContact CE1-CD1 3.8Å; F125-Y170 HydrophobicContact CE1-CE1 4.45Å; Q165-Y170 WeakPolarHBondContact CA-O 3.44Å; D166-Y170 PolarHBondContact N-O 3.36Å; D166-Y170 VanDerWaalsContact N-O 3.12Å; D166-Y170 WeakPolarHBondContact OD1-CB 3.26Å; D166-Y170 PolarHBondContact OD1-N 2.82Å; D168-Y170 HydrophobicContact CB-CD2 3.83Å; D168-Y170 HydrophobicContact CB-CE2 3.85Å
171	W	98.7	Very high	96.7	Very high	70 Å²	70	38.8 Å²	38.8	27%	0.265	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	139.3	-179.7	-69.7	18.8	0	0	0	109.7	N119 H127 I128 V150 F163 I164	N119-W171 HydrophobicContact CB-CD2 4.21Å; N119-W171 HydrophobicContact CB-CH2 4.26Å; N119-W171 HydrophobicContact CB-CZ2 3.9Å; H127-W171 WeakPolarHBondContact CA-O 3.33Å; H127-W171 HydrophobicContact CB-CB 3.8Å; H127-W171 WeakPolarHBondContact CB-O 3.35Å; I128-W171 PolarHBondContact N-O 2.95Å; V150-W171 HydrophobicContact CB-CD2 4.4Å; V150-W171 HydrophobicContact CB-CZ2 4.43Å; V150-W171 HydrophobicContact CG1-CD2 3.94Å; V150-W171 HydrophobicContact CG1-CE3 3.98Å; V150-W171 HydrophobicContact CG1-CH2 3.43Å; V150-W171 VanDerWaalsContact CG1-CH2 3.43Å; V150-W171 HydrophobicContact CG1-CZ2 3.35Å; V150-W171 HydrophobicContact CG1-CZ3 3.74Å; V150-W171 HydrophobicContact CG2-CD2 3.89Å; V150-W171 HydrophobicContact CG2-CG 3.98Å; V150-W171 HydrophobicContact CG2-CZ2 4.24Å; F163-W171 HydrophobicContact CD1-CB 4.35Å; F163-W171 HydrophobicContact CD1-CE3 4.19Å; I164-W171 WeakPolarHBondContact O-CA 3.39Å
172	I	98.9	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.5	176.8	-54.8	-179.7	0	0	0	107.6	F48 Y49 L53 I128 I130 F163 I164 D166 I174	F48-I172 HydrophobicContact CE1-CD1 3.64Å; F48-I172 HydrophobicContact CZ-CD1 4.11Å; Y49-I172 HydrophobicContact CE1-CD1 3.92Å; L53-I172 HydrophobicContact CD1-CD1 3.78Å; I128-I172 HydrophobicContact CD1-CD1 4.14Å; I128-I172 HydrophobicContact CD1-CG1 4.05Å; I128-I172 HydrophobicContact CD1-CG2 4.49Å; I128-I172 HydrophobicContact CG1-CB 4.3Å; I128-I172 HydrophobicContact CG1-CD1 4.43Å; I128-I172 HydrophobicContact CG1-CG1 3.79Å; I128-I172 HydrophobicContact CG1-CG2 4.14Å; I128-I172 CarbonylContact O-C 3.47Å; I128-I172 WeakPolarHBondContact O-CA 3.31Å; I130-I172 HydrophobicContact CD1-CG2 3.75Å; I130-I172 HydrophobicContact CG1-CG2 4.03Å; F163-I172 WeakPolarHBondContact CA-O 3.26Å; I164-I172 HydrophobicContact CD1-CB 4.46Å; I164-I172 HydrophobicContact CG1-CB 3.82Å; I164-I172 HydrophobicContact CG1-CG2 4.35Å; I164-I172 PolarHBondContact N-O 3.32Å; I164-I172 PolarHBondContact O-N 3.18Å; D166-I172 HydrophobicContact CB-CD1 4.13Å; I172-I174 HydrophobicContact CG2-CD1 4.07Å
173	E	98.6	Very high	94.8	Very high	34 Å²	34	46.4 Å²	46.4	16%	0.159	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.1	174.6	-170.1	174.8	100.5	0	0	110.2	H127 I128 G129 I130 L161 F163 L175	H127-E173 IonicContact NE2-OE2 3.98Å; I128-E173 PolarHBondContact O-N 2.65Å; G129-E173 WeakPolarHBondContact CA-O 3.44Å; I130-E173 PolarHBondContact N-O 3.28Å; L161-E173 HydrophobicContact CD1-CG 3.77Å; L161-E173 HydrophobicContact CG-CG 4.46Å; F163-E173 HydrophobicContact CD1-CB 4.03Å; F163-E173 HydrophobicContact CD1-CG 4.48Å; F163-E173 HydrophobicContact CE1-CB 3.54Å; F163-E173 HydrophobicContact CE1-CG 3.87Å; F163-E173 HydrophobicContact CE2-CG 4.26Å; F163-E173 HydrophobicContact CZ-CB 3.98Å; F163-E173 HydrophobicContact CZ-CG 3.76Å; F163-E173 WeakPolarHBondContact CZ-OE2 3.43Å; E173-L175 HydrophobicContact CG-CB 4.41Å; E173-L175 HydrophobicContact CG-CD2 4.19Å; E173-L175 WeakPolarHBondContact OE1-CD2 3.11Å
174	I	98.6	Very high	93.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.7	174.5	-51.2	-61.6	0	0	0	107.6	I130 V132 V135 A138 F142 A162 I164 I172	I130-I174 HydrophobicContact CB-CD1 4.21Å; V132-I174 HydrophobicContact CG1-CG2 4.18Å; V132-I174 HydrophobicContact CG2-CG2 3.65Å; V135-I174 HydrophobicContact CG1-CG2 4.22Å; V135-I174 HydrophobicContact CG2-CG2 4.37Å; A138-I174 HydrophobicContact CB-CG2 4.47Å; F142-I174 HydrophobicContact CE2-CD1 3.89Å; F142-I174 HydrophobicContact CE2-CG1 3.95Å; F142-I174 HydrophobicContact CE2-CG2 4.32Å; F142-I174 HydrophobicContact CZ-CD1 4.33Å; A162-I174 HydrophobicContact CB-CB 4.28Å; A162-I174 PolarHBondContact N-O 3.19Å; A162-I174 VanDerWaalsContact N-O 3.16Å; A162-I174 PolarHBondContact O-N 3.1Å; I164-I174 HydrophobicContact CD1-CD1 4.06Å; I164-I174 HydrophobicContact CD1-CG1 4.38Å; I164-I174 HydrophobicContact CG1-CD1 4.37Å; I164-I174 HydrophobicContact CG1-CG1 4.35Å; I164-I174 HydrophobicContact CG2-CG1 4.48Å; I172-I174 HydrophobicContact CG2-CD1 4.07Å
175	L	97.9	Very high	93.4	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.162	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.5	-170.3	71	105.5	0	0	0	111.7	I130 A131 V132 L161 E173 P177 M180	I130-L175 PolarHBondContact O-N 3.49Å; A131-L175 CarbonylContact C-O 3.56Å; A131-L175 VanDerWaalsContact CA-O 3.31Å; A131-L175 WeakPolarHBondContact CA-O 3.3Å; A131-L175 HydrophobicContact CB-CD1 4.31Å; V132-L175 PolarHBondContact N-O 2.92Å; L161-L175 HydrophobicContact CD1-CB 3.68Å; E173-L175 HydrophobicContact CG-CB 4.41Å; E173-L175 HydrophobicContact CG-CD2 4.19Å; E173-L175 WeakPolarHBondContact OE1-CD2 3.11Å; L175-P177 HydrophobicContact CD1-CG 3.88Å; L175-M180 HydrophobicContact CB-SD 4.16Å; L175-M180 HydrophobicContact CD1-CG 4.41Å
176	N	97.4	Very high	93.1	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.053	32%	0.322	C	S	.	.			trans	-113.5	109.1	168.5	177.1	-13.3	0	0	0	108.7	V132 P133 V135 N178 K179 M180	V132-N176 WeakPolarHBondContact O-CA 3.15Å; V132-N176 WeakPolarHBondContact O-CB 3.36Å; P133-N176 PolarHBondContact O-ND2 3.13Å; V135-N176 HydrophobicContact CG2-CB 3.93Å; N176-N178 PolarHBondContact O-N 3.43Å; N176-N178 VanDerWaalsContact O-N 3.08Å; N176-N178 WeakPolarHBondContact OD1-CB 3.44Å; N176-N178 PolarHBondContact OD1-N 3.46Å; N176-K179 HydrophobicContact CB-CB 4.33Å; N176-K179 PolarHBondContact O-N 3.29Å; N176-M180 WeakPolarHBondContact O-CG 3.44Å; N176-M180 PolarHBondContact O-N 2.92Å
177	P	96.7	Very high	92.8	Very high	71 Å²	71	61.4 Å²	61.4	46%	0.461	34%	0.337	S	S	.	.	H	α-helix	trans	-53.8	-34.7	-176.7	-26.2	34	0	0	0	113.6	A131 L175 K179 M180	A131-P177 HydrophobicContact CB-CG 3.81Å; L175-P177 HydrophobicContact CD1-CG 3.88Å; P177-K179 PolarHBondContact O-N 2.92Å; P177-M180 PolarHBondContact O-N 2.98Å
178	N	96	Very high	92.4	Very high	153 Å²	153	61.5 Å²	61.5	82%	0.818	33%	0.334	S	S	*	.	H	α-helix	trans	-75.9	-6.9	-178.1	-61.4	-41.3	0	0	0	113.8	N176	N176-N178 PolarHBondContact O-N 3.43Å; N176-N178 VanDerWaalsContact O-N 3.08Å; N176-N178 WeakPolarHBondContact OD1-CB 3.44Å; N176-N178 PolarHBondContact OD1-N 3.46Å
179	K	93.3	Very high	92	Very high	114 Å²	114	63.8 Å²	63.8	50%	0.496	35%	0.347	S	S	.	.	H	α-helix	trans	-120.3	3.2	178.7	-63.5	-173.2	179.4	179.7	0	113.1	N176 P177 T182	N176-K179 HydrophobicContact CB-CB 4.33Å; N176-K179 PolarHBondContact O-N 3.29Å; P177-K179 PolarHBondContact O-N 2.92Å; K179-T182 PolarHBondContact O-OG1 3.27Å
180	M	88.3	Confident	91.6	Very high	45 Å²	45	67.2 Å²	67.2	22%	0.222	36%	0.361	C	S	.	.	H	α-helix	trans	-72.7	-34.9	178.5	-68.7	-55.7	-69.7	0	0	112.6	L161 L175 N176 P177 T182 L183	L161-M180 HydrophobicContact CD1-CE 4.26Å; L161-M180 HydrophobicContact CD1-SD 4.17Å; L175-M180 HydrophobicContact CB-SD 4.16Å; L175-M180 HydrophobicContact CD1-CG 4.41Å; N176-M180 WeakPolarHBondContact O-CG 3.44Å; N176-M180 PolarHBondContact O-N 2.92Å; P177-M180 PolarHBondContact O-N 2.98Å; M180-T182 PolarHBondContact O-N 2.81Å; M180-T182 VanDerWaalsContact O-N 3.13Å; M180-L183 HydrophobicContact CE-CD1 4.25Å; M180-L183 WeakPolarHBondContact O-CB 3.48Å; M180-L183 PolarHBondContact O-N 3.08Å; M180-L183 HydrophobicContact SD-CD1 3.96Å
181	A	81.1	Confident	91	Very high	80 Å²	80	70.8 Å²	70.8	66%	0.661	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-60.3	-26.5	-177.4	0	0	0	0	0	113.5	L183	A181-L183 PolarHBondContact O-N 3.32Å
182	T	82.9	Confident	90.4	Very high	119 Å²	119	70.8 Å²	70.8	73%	0.73	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-79.5	-4.4	176.4	51	0	0	0	0	113.9	K179 M180	K179-T182 PolarHBondContact O-OG1 3.27Å; M180-T182 PolarHBondContact O-N 2.81Å; M180-T182 VanDerWaalsContact O-N 3.13Å
183	L	72.6	Confident	89.7	Confident	50 Å²	50	76.8 Å²	76.8	26%	0.262	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-100.2	-13.2	178.5	-60.5	174.3	0	0	0	113.7	M158 K159 L161 M180 A181	M158-L183 HydrophobicContact CB-CD2 4.49Å; K159-L183 WeakPolarHBondContact O-CD2 3.49Å; L161-L183 HydrophobicContact CB-CD1 4.44Å; M180-L183 HydrophobicContact CE-CD1 4.25Å; M180-L183 WeakPolarHBondContact O-CB 3.48Å; M180-L183 PolarHBondContact O-N 3.08Å; M180-L183 HydrophobicContact SD-CD1 3.96Å; A181-L183 PolarHBondContact O-N 3.32Å
184	M	73.5	Confident	88.9	Confident	214 Å²	214	80.6 Å²	80.6	100%	1.054	45%	0.447	S	S	*	.			trans	-91.9	0	174.1	-61.9	-175.6	179.3	0	0	109.6

Retrieved 184 of 184 residues in 41.8 ms (Link to these results)

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