A0A024R8G3_HUMAN Loading...

Prostaglandin-H2 D-isomerase

AlphaFold DB (P41222), UniProt , Accession A0A024R8G3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 190 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	46.8	Very low	244 Å²	244	151.5 Å²	151.5	100%	1.202	81%	0.813	S	S	*	*				0	127.3	0	-66	-178.9	-151.7	0	0	107.4
2	A	44.5	Very low	47.1	Very low	87 Å²	87	146.8 Å²	146.8	72%	0.719	81%	0.812	S	S	*	*			trans	51.1	107.9	171.2	0	0	0	0	0	117.9
3	T	45.4	Very low	47.4	Very low	116 Å²	116	147.3 Å²	147.3	71%	0.712	81%	0.811	S	S	*	*				57	131.5	64	75	0	0	0	0	112.2
4	H	50.6	Low	47.7	Very low	154 Å²	154	148.1 Å²	148.1	71%	0.713	81%	0.812	S	S	*	*			cis	-154.1	135.3	29	-88.1	-83.3	0	0	0	108.6
5	H	47.3	Very low	47.8	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.736	81%	0.812	S	S	*	*				57.6	115.4	92.7	-77.2	-68.2	0	0	0	117.7
6	T	53.7	Low	48.4	Very low	141 Å²	141	143.3 Å²	143.3	87%	0.865	81%	0.814	S	S	*	*			trans	149	103.3	133.2	36.2	0	0	0	0	108.5
7	L	44.8	Very low	48.6	Very low	147 Å²	147	144.9 Å²	144.9	77%	0.77	82%	0.819	S	S	*	*				79	92.8	55.3	-150	132.4	0	0	0	114.2
8	W	49.6	Very low	48.7	Very low	224 Å²	224	140.1 Å²	140.1	85%	0.848	81%	0.807	S	S	*	*			trans	78.9	150.7	130.9	-112.2	9	0	0	0	123.7
9	M	43.5	Very low	48.7	Very low	163 Å²	163	140.7 Å²	140.7	80%	0.803	81%	0.807	S	S	*	*			trans	77.5	105.4	172.5	-48	-58.8	-106.2	0	0	114.4
10	G	41.7	Very low	48.7	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	81%	0.812	S	S	*	*			cis	97.7	89.2	32.6	0	0	0	0	0	109.2
11	L	49.5	Very low	48.4	Very low	158 Å²	158	144.1 Å²	144.1	83%	0.827	81%	0.814	S	S	*	*			trans	-149.2	99.7	164.5	-122.3	117.2	0	0	0	109.7	L13	L11-L13 HydrophobicContact CD2-CD1 3.64Å; L11-L13 HydrophobicContact CD2-CG 4.16Å
12	A	50.7	Low	48.2	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	79%	0.793	S	S	*	*			trans	-91.9	111.3	164.9	0	0	0	0	0	107.5
13	L	51.2	Low	48.1	Very low	153 Å²	153	136.8 Å²	136.8	80%	0.801	79%	0.792	S	S	*	*			trans	-107.8	98.4	166.9	-92.3	158.1	0	0	0	107.3	L11	L11-L13 HydrophobicContact CD2-CD1 3.64Å; L11-L13 HydrophobicContact CD2-CG 4.16Å
14	L	51.8	Low	47.9	Very low	159 Å²	159	137.3 Å²	137.3	83%	0.832	80%	0.797	S	S	*	*			trans	-64.6	131.3	170.9	-82	148.9	0	0	0	109.6
15	G	48	Very low	47.8	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	79%	0.792	S	S	*	*			trans	-64.5	134.2	-179.5	0	0	0	0	0	112.7
16	V	57.5	Low	48.2	Very low	140 Å²	140	130.6 Å²	130.6	85%	0.848	77%	0.773	S	S	*	*			trans	-103.5	93	162.6	179.9	0	0	0	0	106.1	G18	V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.87Å
17	L	53	Low	48.9	Very low	171 Å²	171	133.1 Å²	133.1	90%	0.895	78%	0.775	S	S	*	*			trans	-74.9	95.3	159.5	-79.7	162.4	0	0	0	105.9	D19	L17-D19 PolarHBondContact O-N 3.47Å
18	G	49.5	Very low	50.6	Low	59 Å²	59	127.1 Å²	127.1	61%	0.608	74%	0.744	S	S	*	*			trans	-72.6	105.9	169.7	0	0	0	0	0	108.9	V16 L20	V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.87Å; G18-L20 VanDerWaalsContact C-N 3.28Å; G18-L20 PolarHBondContact O-N 3.47Å
19	D	49.6	Very low	52.7	Low	151 Å²	151	120.4 Å²	120.4	81%	0.807	73%	0.732	S	S	*	*			trans	-59.7	94.1	159.8	-76.8	-51	0	0	0	108.2	L17 Q21	L17-D19 PolarHBondContact O-N 3.47Å; D19-Q21 PolarHBondContact O-N 3.48Å
20	L	48.1	Very low	55.2	Low	173 Å²	173	114.4 Å²	114.4	91%	0.906	70%	0.704	S	S	*	*			trans	-70.1	83.1	161.8	-95	146.9	0	0	0	106.8	G18 A22	G18-L20 VanDerWaalsContact C-N 3.28Å; G18-L20 PolarHBondContact O-N 3.47Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.32Å
21	Q	42.2	Very low	57.8	Low	181 Å²	181	112.7 Å²	112.7	85%	0.846	68%	0.677	S	S	*	*			trans	-58.2	99.8	160.4	-74.6	178.1	-74.3	0	0	106.9	D19 A23	D19-Q21 PolarHBondContact O-N 3.48Å; Q21-A23 PolarHBondContact O-N 3.3Å
22	A	40.5	Very low	60.1	Low	92 Å²	92	109.7 Å²	109.7	76%	0.76	67%	0.667	S	S	*	*			trans	-51.6	123.4	164.6	0	0	0	0	0	107.3	L20	L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.32Å
23	A	41.8	Very low	62.3	Low	84 Å²	84	111.9 Å²	111.9	69%	0.694	67%	0.665	S	S	*	*			trans	-52.4	135.2	174	0	0	0	0	0	108.1	Q21 E25	Q21-A23 PolarHBondContact O-N 3.3Å; A23-E25 PolarHBondContact O-N 3.49Å
24	P	40.6	Very low	64.5	Low	127 Å²	127	105.1 Å²	105.1	83%	0.825	63%	0.629	S	S	*	*			trans	-62.6	107.9	177.4	15	-13.8	0	0	0	107.2	A26	P24-A26 PolarHBondContact O-N 3.27Å
25	E	49.8	Very low	66.7	Low	132 Å²	132	101.1 Å²	101.1	62%	0.617	61%	0.606	S	S	*	*			trans	-50.2	126.7	164.7	-72.3	-176.2	149.4	0	0	106.1	A23 Q27	A23-E25 PolarHBondContact O-N 3.49Å; E25-Q27 VanDerWaalsContact C-N 3.25Å; E25-Q27 PolarHBondContact O-N 3.39Å
26	A	55.4	Low	69.1	Low	40 Å²	40	100 Å²	100	33%	0.331	58%	0.58	S	S	.	*			trans	-60.8	94	178.1	0	0	0	0	0	108	P24 V28	P24-A26 PolarHBondContact O-N 3.27Å; A26-V28 VanDerWaalsContact C-N 3.33Å; A26-V28 PolarHBondContact O-N 3.24Å
27	Q	67.6	Low	71	Confident	194 Å²	194	98.6 Å²	98.6	91%	0.907	57%	0.568	S	S	*	*			trans	-76.7	91.3	-172.3	-160.4	174.9	8.5	0	0	107.6	E25	E25-Q27 VanDerWaalsContact C-N 3.25Å; E25-Q27 PolarHBondContact O-N 3.39Å
28	V	82.1	Confident	73.2	Confident	21 Å²	21	95.4 Å²	95.4	13%	0.127	55%	0.547	C	S	.	.			trans	-69.5	136.3	175.9	74.2	0	0	0	0	109.3	A26 V121 Y132 F166	A26-V28 VanDerWaalsContact C-N 3.33Å; A26-V28 PolarHBondContact O-N 3.24Å; V28-V121 HydrophobicContact CG1-CG2 4.41Å; V28-V121 HydrophobicContact CG2-CB 4.38Å; V28-V121 HydrophobicContact CG2-CG1 4Å; V28-V121 HydrophobicContact CG2-CG2 3.45Å; V28-V121 VanDerWaalsContact CG2-CG2 3.45Å; V28-Y132 HydrophobicContact CB-CD1 4Å; V28-Y132 HydrophobicContact CB-CG 4.26Å; V28-Y132 HydrophobicContact CG1-CD1 3.85Å; V28-Y132 HydrophobicContact CG1-CG 4.25Å; V28-Y132 HydrophobicContact CG2-CD1 4.35Å; V28-Y132 HydrophobicContact CG2-CG 4.1Å; V28-F166 HydrophobicContact CG2-CE2 4.44Å; V28-F166 HydrophobicContact CG2-CZ 4.49Å
29	S	92	Very high	75.5	Confident	83 Å²	83	92.9 Å²	92.9	58%	0.58	52%	0.519	S	S	*	.			trans	-64.7	154.8	171.9	57.1	0	0	0	0	110.8	V121	S29-V121 WeakPolarHBondContact O-CA 3.46Å; S29-V121 WeakPolarHBondContact O-CG1 3.39Å
30	V	95.9	Very high	77.8	Confident	38 Å²	38	88 Å²	88	23%	0.23	49%	0.493	C	S	.	.			trans	-114.1	148.9	175.4	-174.2	0	0	0	0	108.3	P32 L102 S104 V120 V121	V30-P32 VanDerWaalsContact O-CD 3.26Å; V30-P32 WeakPolarHBondContact O-CD 3.37Å; V30-P32 VanDerWaalsContact O-N 3.12Å; V30-L102 WeakPolarHBondContact CG1-O 3.45Å; V30-S104 VanDerWaalsContact CG2-OG 3.3Å; V30-S104 WeakPolarHBondContact CG2-OG 3.2Å; V30-V120 WeakPolarHBondContact CG1-O 3.09Å; V30-V121 CarbonylContact C-O 3.59Å
31	Q	97.7	Very high	80.2	Confident	37 Å²	37	81.2 Å²	81.2	17%	0.173	46%	0.464	C	S	.	.			trans	-50.6	117.7	178.8	172.1	60.4	51.6	0	0	110.3	N33 F34 V120 V121 T123	Q31-N33 PolarHBondContact O-N 3.03Å; Q31-F34 HydrophobicContact CB-CB 4.32Å; Q31-F34 HydrophobicContact CB-CD2 4.16Å; Q31-F34 HydrophobicContact CG-CB 4.37Å; Q31-F34 HydrophobicContact CG-CD2 4.22Å; Q31-F34 PolarHBondContact O-N 3.31Å; Q31-V120 PolarHBondContact N-O 2.88Å; Q31-V121 WeakPolarHBondContact CA-O 3.22Å; Q31-V121 PolarHBondContact N-O 3.12Å; Q31-T123 HydrophobicContact CB-CG2 4.44Å; Q31-T123 HydrophobicContact CG-CG2 3.98Å; Q31-T123 PolarHBondContact OE1-O 3.43Å
32	P	96.8	Very high	82.9	Confident	94 Å²	94	79.4 Å²	79.4	61%	0.61	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	136	175.7	-25.8	35	0	0	0	111.1	V30 F34	V30-P32 VanDerWaalsContact O-CD 3.26Å; V30-P32 WeakPolarHBondContact O-CD 3.37Å; V30-P32 VanDerWaalsContact O-N 3.12Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 2.68Å
33	N	96.5	Very high	85.6	Confident	143 Å²	143	75 Å²	75	77%	0.765	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.8	-179.4	-57.5	-38.5	0	0	0	113	Q31 Q35 Y125	Q31-N33 PolarHBondContact O-N 3.03Å; N33-Q35 PolarHBondContact O-N 3.3Å; N33-Y125 PolarHBondContact O-OH 3.19Å
34	F	98.2	Very high	88.3	Confident	10 Å²	10	71.5 Å²	71.5	4%	0.044	38%	0.382	C	S	.	.			trans	-54.8	124.3	179.7	179.1	-101	0	0	0	112	Q31 P32 Q36 F39 L102 G103 Y105 V120 T123 Y125	Q31-F34 HydrophobicContact CB-CB 4.32Å; Q31-F34 HydrophobicContact CB-CD2 4.16Å; Q31-F34 HydrophobicContact CG-CB 4.37Å; Q31-F34 HydrophobicContact CG-CD2 4.22Å; Q31-F34 PolarHBondContact O-N 3.31Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 2.68Å; F34-Q36 HydrophobicContact CD1-CB 4.46Å; F34-Q36 HydrophobicContact CE1-CB 3.81Å; F34-Q36 HydrophobicContact CE1-CG 4.36Å; F34-F39 HydrophobicContact CE2-CB 3.88Å; F34-F39 HydrophobicContact CE2-CD1 4.43Å; F34-F39 HydrophobicContact CE2-CD2 4.17Å; F34-F39 AromaticContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CZ-CB 3.61Å; F34-F39 AromaticContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD2 4.44Å; F34-F39 AromaticContact CZ-CG 3.73Å; F34-F39 HydrophobicContact CZ-CG 3.73Å; F34-L102 HydrophobicContact CB-CB 4.33Å; F34-G103 VanDerWaalsContact CD1-CA 3.42Å; F34-G103 VanDerWaalsContact CD1-N 3.34Å; F34-Y105 VanDerWaalsContact CE1-OH 3.27Å; F34-Y105 WeakPolarHBondContact CE1-OH 3.46Å; F34-V120 HydrophobicContact CD2-CB 4.24Å; F34-V120 HydrophobicContact CD2-CG1 4.16Å; F34-V120 HydrophobicContact CE2-CB 3.94Å; F34-V120 HydrophobicContact CE2-CG1 3.81Å; F34-V120 HydrophobicContact CE2-CG2 3.95Å; F34-V120 HydrophobicContact CZ-CG2 4.14Å; F34-T123 HydrophobicContact CD2-CG2 4.35Å; F34-T123 HydrophobicContact CE2-CG2 4.29Å; F34-Y125 WeakPolarHBondContact CA-OH 3.33Å; F34-Y125 HydrophobicContact CD2-CE1 4.23Å; F34-Y125 HydrophobicContact CE2-CE1 4.25Å
35	Q	98.2	Very high	90.9	Very high	75 Å²	75	65.9 Å²	65.9	35%	0.35	35%	0.346	S	S	.	.			trans	-105.4	98.6	178.5	-79.6	161.9	82.7	0	0	109.7	N33 D37 K38 F39 Y125	N33-Q35 PolarHBondContact O-N 3.3Å; Q35-D37 VanDerWaalsContact C-N 3.26Å; Q35-D37 WeakPolarHBondContact CB-OD1 3.37Å; Q35-D37 PolarHBondContact O-N 2.98Å; Q35-K38 HydrophobicContact CB-CB 4.18Å; Q35-K38 HydrophobicContact CB-CD 4.04Å; Q35-K38 HydrophobicContact CB-CG 4.13Å; Q35-K38 PolarHBondContact O-N 2.84Å; Q35-F39 PolarHBondContact O-N 2.89Å; Q35-Y125 HydrophobicContact CB-CE1 4.1Å; Q35-Y125 PolarHBondContact N-OH 3.39Å; Q35-Y125 WeakPolarHBondContact O-CE1 3.39Å
36	Q	97.9	Very high	93.1	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-37.4	-175.5	-177.6	167.4	-72.4	0	0	112.6	F34 K38 F39 L40 G75 L77 Y105	F34-Q36 HydrophobicContact CD1-CB 4.46Å; F34-Q36 HydrophobicContact CE1-CB 3.81Å; F34-Q36 HydrophobicContact CE1-CG 4.36Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 2.84Å; Q36-F39 WeakPolarHBondContact O-CB 3.47Å; Q36-F39 PolarHBondContact O-N 3.49Å; Q36-F39 VanDerWaalsContact O-N 3.17Å; Q36-L40 WeakPolarHBondContact O-CG 3.33Å; Q36-L40 PolarHBondContact O-N 3.44Å; Q36-G75 PolarHBondContact NE2-O 2.84Å; Q36-L77 HydrophobicContact CG-CD2 3.77Å; Q36-L77 HydrophobicContact CG-CG 4.4Å; Q36-Y105 PolarHBondContact OE1-OH 3.03Å
37	D	97.9	Very high	95.1	Very high	109 Å²	109	58 Å²	58	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-60.5	-40.2	178	61.3	-52.1	0	0	0	112.6	Q35 F39 L40	Q35-D37 VanDerWaalsContact C-N 3.26Å; Q35-D37 WeakPolarHBondContact CB-OD1 3.37Å; Q35-D37 PolarHBondContact O-N 2.98Å; D37-F39 VanDerWaalsContact C-N 3.3Å; D37-F39 PolarHBondContact O-N 3.46Å; D37-L40 WeakPolarHBondContact O-CG 3.38Å; D37-L40 PolarHBondContact O-N 3.17Å
38	K	98.5	Very high	96.4	Very high	104 Å²	104	49 Å²	49	45%	0.452	26%	0.261	S	S	.	.	H	α-helix	trans	-73.3	-23.2	176.6	-67.3	-175.7	174.1	169.5	0	113.2	Q35 Q36 L40 Y125 R151	Q35-K38 HydrophobicContact CB-CB 4.18Å; Q35-K38 HydrophobicContact CB-CD 4.04Å; Q35-K38 HydrophobicContact CB-CG 4.13Å; Q35-K38 PolarHBondContact O-N 2.84Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 2.84Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-Y125 HydrophobicContact CB-CD1 3.45Å; K38-Y125 VanDerWaalsContact CB-CD1 3.45Å; K38-Y125 HydrophobicContact CB-CD2 4.32Å; K38-Y125 HydrophobicContact CB-CE1 4.01Å; K38-Y125 HydrophobicContact CB-CG 3.63Å; K38-Y125 HydrophobicContact CD-CD2 4.29Å; K38-Y125 HydrophobicContact CD-CG 4.4Å; K38-R151 PolarHBondContact O-NH2 3.12Å; K38-R151 VanDerWaalsContact O-NH2 3.12Å
39	F	98.6	Very high	97.1	Very high	6 Å²	6	48 Å²	48	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-79.4	-13.6	179.1	-169.2	-112.5	0	0	0	113.4	F34 Q35 Q36 D37 W43 V69 L77 V120 Y125 A129 L131	F34-F39 HydrophobicContact CE2-CB 3.88Å; F34-F39 HydrophobicContact CE2-CD1 4.43Å; F34-F39 HydrophobicContact CE2-CD2 4.17Å; F34-F39 AromaticContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CZ-CB 3.61Å; F34-F39 AromaticContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD2 4.44Å; F34-F39 AromaticContact CZ-CG 3.73Å; F34-F39 HydrophobicContact CZ-CG 3.73Å; Q35-F39 PolarHBondContact O-N 2.89Å; Q36-F39 WeakPolarHBondContact O-CB 3.47Å; Q36-F39 PolarHBondContact O-N 3.49Å; Q36-F39 VanDerWaalsContact O-N 3.17Å; D37-F39 VanDerWaalsContact C-N 3.3Å; D37-F39 PolarHBondContact O-N 3.46Å; F39-W43 AromaticContact CD2-CZ2 3.66Å; F39-W43 HydrophobicContact CD2-CZ2 3.66Å; F39-W43 AromaticContact CE2-CE2 3.85Å; F39-W43 HydrophobicContact CE2-CH2 4.42Å; F39-W43 AromaticContact CE2-CZ2 3.64Å; F39-W43 HydrophobicContact CE2-CZ2 3.64Å; F39-W43 PolarHBondContact O-NE1 2.95Å; F39-V69 HydrophobicContact CD1-CG1 4.01Å; F39-V69 HydrophobicContact CE1-CG1 4.22Å; F39-V69 HydrophobicContact CE1-CG2 4.2Å; F39-L77 HydrophobicContact CD1-CD1 4Å; F39-L77 HydrophobicContact CE1-CD1 4.27Å; F39-V120 HydrophobicContact CE1-CG2 4.17Å; F39-V120 HydrophobicContact CE2-CG1 4.36Å; F39-V120 HydrophobicContact CE2-CG2 4.48Å; F39-V120 HydrophobicContact CZ-CG2 4.1Å; F39-Y125 HydrophobicContact CB-CD1 4.35Å; F39-A129 HydrophobicContact CE2-CB 3.57Å; F39-A129 HydrophobicContact CZ-CB 4.31Å; F39-L131 HydrophobicContact CZ-CD1 4.29Å
40	L	98.4	Very high	97.3	Very high	50 Å²	50	44 Å²	44	26%	0.262	23%	0.228	S	C	.	.			trans	-64.7	168.6	-178.4	-56.7	-178.3	0	0	0	113.2	Q36 D37 K38 V69 L77 R151	Q36-L40 WeakPolarHBondContact O-CG 3.33Å; Q36-L40 PolarHBondContact O-N 3.44Å; D37-L40 WeakPolarHBondContact O-CG 3.38Å; D37-L40 PolarHBondContact O-N 3.17Å; K38-L40 VanDerWaalsContact C-N 3.31Å; L40-V69 HydrophobicContact CD2-CG1 4.05Å; L40-L77 HydrophobicContact CD2-CD2 3.63Å; L40-R151 PolarHBondContact O-NH1 2.94Å; L40-R151 PolarHBondContact O-NH2 3.25Å
41	G	97.9	Very high	97.3	Very high	29 Å²	29	45.4 Å²	45.4	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	92.4	-154.6	172.7	0	0	0	0	0	113.7	V69	G41-V69 PolarHBondContact N-O 2.99Å; G41-V69 PolarHBondContact O-N 2.97Å
42	R	97.9	Very high	96.9	Very high	143 Å²	143	45.2 Å²	45.2	54%	0.54	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.4	-171.1	-175.5	173.7	63.5	-159.4	-1.9	112.2	F44 K66 S67 R151	R42-F44 HydrophobicContact CG-CE2 4.44Å; R42-F44 HydrophobicContact CG-CZ 4.25Å; R42-K66 HydrophobicContact CG-CB 4.32Å; R42-S67 CarbonylContact C-O 3.6Å; R42-S67 WeakPolarHBondContact CA-O 3.48Å; R42-R151 VanDerWaalsContact O-CD 3.22Å; R42-R151 WeakPolarHBondContact O-CD 3.16Å; R42-R151 PolarHBondContact O-NH1 3.22Å
43	W	98.5	Very high	96.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.5	173	-69.3	99.2	0	0	0	110.4	F39 S67 Y125 A129 Y149 S150 R151	F39-W43 AromaticContact CD2-CZ2 3.66Å; F39-W43 HydrophobicContact CD2-CZ2 3.66Å; F39-W43 AromaticContact CE2-CE2 3.85Å; F39-W43 HydrophobicContact CE2-CH2 4.42Å; F39-W43 AromaticContact CE2-CZ2 3.64Å; F39-W43 HydrophobicContact CE2-CZ2 3.64Å; F39-W43 PolarHBondContact O-NE1 2.95Å; W43-S67 PolarHBondContact N-O 2.94Å; W43-S67 PolarHBondContact O-N 2.76Å; W43-S67 VanDerWaalsContact O-O 3.11Å; W43-Y125 WeakPolarHBondContact CH2-O 3.35Å; W43-A129 HydrophobicContact CH2-CB 4.09Å; W43-A129 HydrophobicContact CZ2-CB 4.48Å; W43-A129 HydrophobicContact CZ3-CB 4.31Å; W43-Y149 HydrophobicContact CB-CD1 3.58Å; W43-Y149 HydrophobicContact CB-CE1 4.07Å; W43-Y149 HydrophobicContact CB-CG 3.99Å; W43-Y149 HydrophobicContact CG-CD1 4.41Å; W43-Y149 HydrophobicContact CG-CG 4.36Å; W43-S150 CarbonylContact C-O 3.54Å; W43-R151 HydrophobicContact CE3-CG 4.01Å; W43-R151 HydrophobicContact CH2-CG 4.04Å; W43-R151 VanDerWaalsContact CZ2-NE 3.26Å; W43-R151 HydrophobicContact CZ3-CG 3.66Å
44	F	97.3	Very high	96.1	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.3	174.9	-62.8	-74.9	0	0	0	109.4	R42 A46 C65 K66 Y149 S150 R151 Q153 M187	R42-F44 HydrophobicContact CG-CE2 4.44Å; R42-F44 HydrophobicContact CG-CZ 4.25Å; F44-A46 PolarHBondContact O-N 2.9Å; F44-C65 WeakPolarHBondContact CD1-O 3.47Å; F44-C65 VanDerWaalsContact CE1-O 3.22Å; F44-C65 WeakPolarHBondContact CE1-O 3.41Å; F44-K66 HydrophobicContact CE1-CB 4.33Å; F44-Y149 WeakPolarHBondContact O-CA 3.48Å; F44-Y149 WeakPolarHBondContact O-CD1 3.41Å; F44-S150 WeakPolarHBondContact CB-O 3.48Å; F44-S150 WeakPolarHBondContact CD2-O 3.42Å; F44-S150 PolarHBondContact N-O 3Å; F44-S150 PolarHBondContact O-N 2.65Å; F44-R151 WeakPolarHBondContact CD2-O 3.5Å; F44-R151 VanDerWaalsContact CE2-O 3.25Å; F44-R151 WeakPolarHBondContact CE2-O 3.13Å; F44-Q153 HydrophobicContact CD1-CB 4.41Å; F44-Q153 HydrophobicContact CD1-CG 3.29Å; F44-Q153 HydrophobicContact CD2-CG 4.1Å; F44-Q153 HydrophobicContact CE1-CG 3.32Å; F44-Q153 HydrophobicContact CE2-CG 4.09Å; F44-Q153 HydrophobicContact CG-CB 4.43Å; F44-Q153 HydrophobicContact CG-CG 3.7Å; F44-Q153 HydrophobicContact CZ-CG 3.72Å; F44-M187 HydrophobicContact CE1-CE 3.83Å; F44-M187 HydrophobicContact CE1-SD 3.98Å
45	S	96.2	Very high	95.5	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	97.2	174.4	-61.4	0	0	0	0	108.8	Y149 Q182	S45-Y149 WeakPolarHBondContact OG-CE1 3.26Å; S45-Q182 PolarHBondContact O-NE2 2.81Å
46	A	96.3	Very high	95	Very high	5 Å²	5	42 Å²	42	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-30.9	-172.4	0	0	0	0	0	113.2	F44 L148 P155 F179 L180	F44-A46 PolarHBondContact O-N 2.9Å; A46-L148 HydrophobicContact CB-CD2 4.11Å; A46-L148 HydrophobicContact CB-CG 4.28Å; A46-L148 PolarHBondContact N-O 2.99Å; A46-P155 HydrophobicContact CB-CG 3.67Å; A46-F179 WeakPolarHBondContact O-CA 3.22Å; A46-L180 PolarHBondContact O-N 2.83Å
47	G	96.1	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.5	-178.2	0	0	0	0	0	112.5	T147 L148 V178	G47-T147 WeakPolarHBondContact O-CA 3.39Å; G47-L148 PolarHBondContact N-O 3.28Å; G47-L148 PolarHBondContact O-N 3.19Å; G47-V178 CarbonylContact C-O 3.58Å; G47-V178 WeakPolarHBondContact CA-O 3.48Å
48	L	96.6	Very high	94	Very high	6 Å²	6	46 Å²	46	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.5	178.4	180	145.1	0	0	0	109.9	R56 K59 M145 A146 V178 L180	L48-R56 HydrophobicContact CD2-CG 4.23Å; L48-K59 HydrophobicContact CD1-CD 4.41Å; L48-K59 HydrophobicContact CD1-CG 3.99Å; L48-M145 HydrophobicContact CD1-CG 4.31Å; L48-M145 HydrophobicContact CD1-SD 3.73Å; L48-M145 HydrophobicContact CG-CG 4.23Å; L48-M145 HydrophobicContact CG-SD 4.3Å; L48-A146 CarbonylContact C-O 3.57Å; L48-A146 WeakPolarHBondContact CA-O 3.29Å; L48-V178 HydrophobicContact CB-CG2 4.12Å; L48-V178 HydrophobicContact CD2-CG2 4.07Å; L48-V178 PolarHBondContact N-O 2.91Å; L48-V178 VanDerWaalsContact O-CG2 3.3Å; L48-V178 WeakPolarHBondContact O-CG2 3.14Å; L48-V178 PolarHBondContact O-N 2.96Å; L48-L180 HydrophobicContact CB-CD1 4.22Å; L48-L180 HydrophobicContact CB-CD2 4.33Å; L48-L180 HydrophobicContact CB-CG 4.38Å
49	A	96.5	Very high	93.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.7	162.4	0	0	0	0	0	108.6	M145 A146 F163 C167 F172 T176 I177	A49-M145 CarbonylContact O-C 3.53Å; A49-M145 WeakPolarHBondContact O-CA 3.43Å; A49-M145 WeakPolarHBondContact O-CG 3.25Å; A49-A146 HydrophobicContact CB-CB 4.28Å; A49-A146 PolarHBondContact N-O 2.7Å; A49-A146 PolarHBondContact O-N 2.88Å; A49-F163 HydrophobicContact CB-CZ 4.45Å; A49-C167 HydrophobicContact CB-CB 4.23Å; A49-F172 HydrophobicContact CB-CB 4.13Å; A49-F172 HydrophobicContact CB-CD1 4.09Å; A49-F172 HydrophobicContact CB-CD2 4.02Å; A49-F172 HydrophobicContact CB-CE2 4.45Å; A49-F172 HydrophobicContact CB-CG 3.82Å; A49-T176 VanDerWaalsContact CA-O 3.28Å; A49-T176 WeakPolarHBondContact CA-O 3.43Å; A49-I177 HydrophobicContact CB-CB 4.48Å; A49-I177 HydrophobicContact CB-CG1 3.97Å
50	S	96.2	Very high	92.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	149.1	178.1	-179.1	0	0	0	0	111	S52 R56 F143 R144	S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact OG-N 3.21Å; S50-S52 VanDerWaalsContact OG-N 3.12Å; S50-R56 WeakPolarHBondContact O-CD 3.4Å; S50-R56 PolarHBondContact O-NH1 3.12Å; S50-F143 WeakPolarHBondContact OG-CE2 3.38Å; S50-R144 VanDerWaalsContact CA-O 3.26Å; S50-R144 WeakPolarHBondContact CA-O 3.37Å; S50-R144 WeakPolarHBondContact CB-O 3.37Å; S50-R144 PolarHBondContact OG-O 3.48Å
51	N	94.4	Very high	91.6	Very high	67 Å²	67	47.5 Å²	47.5	36%	0.358	25%	0.253	S	S	.	.	S	Bend	trans	-77	-11.2	170.6	65.2	-16.5	0	0	0	113.3	S53 D142 R144	N51-S53 PolarHBondContact O-N 3.45Å; N51-D142 PolarHBondContact ND2-O 2.84Å; N51-R144 PolarHBondContact N-O 2.88Å; N51-R144 PolarHBondContact OD1-N 2.94Å; N51-R144 PolarHBondContact OD1-O 2.88Å
52	S	91.1	Very high	91	Very high	32 Å²	32	47 Å²	47	22%	0.224	24%	0.244	C	C	.	.			trans	-84.5	108.5	174.3	179.1	0	0	0	0	111	S50 W54 L55 R56	S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact OG-N 3.21Å; S50-S52 VanDerWaalsContact OG-N 3.12Å; S52-W54 VanDerWaalsContact C-N 3.28Å; S52-W54 PolarHBondContact O-N 3.32Å; S52-L55 PolarHBondContact O-N 3.36Å; S52-L55 PolarHBondContact OG-N 2.74Å; S52-R56 WeakPolarHBondContact O-CG 3.45Å; S52-R56 PolarHBondContact O-N 2.84Å; S52-R56 VanDerWaalsContact O-N 3.15Å
53	S	87.8	Confident	90.5	Very high	66 Å²	66	42 Å²	42	46%	0.462	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-43.9	172.9	51.6	0	0	0	0	111.6	N51 L55 R56 E57	N51-S53 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact C-N 3.32Å; S53-L55 PolarHBondContact O-N 2.84Å; S53-R56 PolarHBondContact O-N 2.79Å; S53-R56 VanDerWaalsContact O-N 3.16Å; S53-E57 WeakPolarHBondContact O-CG 3.26Å; S53-E57 PolarHBondContact O-N 3.28Å
54	W	88.6	Confident	90.1	Very high	119 Å²	119	42 Å²	42	45%	0.451	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-45.9	175.6	178	90.1	0	0	0	112.2	S52 K58 W112	S52-W54 VanDerWaalsContact C-N 3.28Å; S52-W54 PolarHBondContact O-N 3.32Å; W54-K58 HydrophobicContact CD2-CG 4.05Å; W54-K58 HydrophobicContact CE3-CG 4.47Å; W54-K58 HydrophobicContact CH2-CG 4.33Å; W54-K58 HydrophobicContact CZ2-CG 3.92Å; W54-K58 WeakPolarHBondContact O-CB 3.43Å; W54-K58 VanDerWaalsContact O-CG 3.24Å; W54-K58 WeakPolarHBondContact O-CG 3.33Å; W54-K58 PolarHBondContact O-N 2.89Å; W54-W112 AromaticContact CH2-CH2 3.81Å; W54-W112 HydrophobicContact CH2-CH2 3.81Å; W54-W112 AromaticContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CZ2-CH2 4.2Å; W54-W112 HydrophobicContact CZ2-CZ2 4.32Å; W54-W112 HydrophobicContact CZ3-CH2 4.03Å; W54-W112 AromaticContact CZ3-CZ2 3.7Å; W54-W112 HydrophobicContact CZ3-CZ2 3.7Å
55	L	85.3	Confident	89.8	Confident	25 Å²	25	41.6 Å²	41.6	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-42.2	179.6	-175	66	0	0	0	111.6	S52 S53 K58 K59 F143 M145	S52-L55 PolarHBondContact O-N 3.36Å; S52-L55 PolarHBondContact OG-N 2.74Å; S53-L55 VanDerWaalsContact C-N 3.32Å; S53-L55 PolarHBondContact O-N 2.84Å; L55-K58 PolarHBondContact O-N 3.17Å; L55-K59 HydrophobicContact CD1-CG 4.02Å; L55-K59 HydrophobicContact CG-CG 4.21Å; L55-K59 WeakPolarHBondContact O-CB 3.45Å; L55-K59 VanDerWaalsContact O-CG 3.26Å; L55-K59 WeakPolarHBondContact O-CG 3.41Å; L55-K59 PolarHBondContact O-N 2.91Å; L55-F143 HydrophobicContact CD2-CE2 3.53Å; L55-F143 HydrophobicContact CD2-CZ 3.56Å; L55-M145 HydrophobicContact CD2-SD 3.71Å
56	R	87.4	Confident	89.7	Confident	46 Å²	46	42.4 Å²	42.4	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-48.4	177.8	-64.8	-166.1	-53.4	-84.3	3.2	111.2	L48 S50 S52 S53 K59 A60 T176	L48-R56 HydrophobicContact CD2-CG 4.23Å; S50-R56 WeakPolarHBondContact O-CD 3.4Å; S50-R56 PolarHBondContact O-NH1 3.12Å; S52-R56 WeakPolarHBondContact O-CG 3.45Å; S52-R56 PolarHBondContact O-N 2.84Å; S52-R56 VanDerWaalsContact O-N 3.15Å; S53-R56 PolarHBondContact O-N 2.79Å; S53-R56 VanDerWaalsContact O-N 3.16Å; R56-K59 PolarHBondContact O-N 3.48Å; R56-A60 WeakPolarHBondContact O-CB 3.14Å; R56-A60 PolarHBondContact O-N 2.75Å; R56-T176 VanDerWaalsContact CD-O 3.26Å; R56-T176 WeakPolarHBondContact CD-O 3.27Å
57	E	86.6	Confident	89.7	Confident	136 Å²	136	42.2 Å²	42.2	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-62.2	-44.3	177.5	-71.7	173.1	-164.4	0	0	112.3	S53 A60 A61	S53-E57 WeakPolarHBondContact O-CG 3.26Å; S53-E57 PolarHBondContact O-N 3.28Å; E57-A60 PolarHBondContact O-N 3.04Å; E57-A61 PolarHBondContact O-N 3.02Å
58	K	87.1	Confident	89.8	Confident	113 Å²	113	44.5 Å²	44.5	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-45.2	177.5	-71.3	-59.3	176.6	-157.2	0	111.6	W54 L55 A61 L62	W54-K58 HydrophobicContact CD2-CG 4.05Å; W54-K58 HydrophobicContact CE3-CG 4.47Å; W54-K58 HydrophobicContact CH2-CG 4.33Å; W54-K58 HydrophobicContact CZ2-CG 3.92Å; W54-K58 WeakPolarHBondContact O-CB 3.43Å; W54-K58 VanDerWaalsContact O-CG 3.24Å; W54-K58 WeakPolarHBondContact O-CG 3.33Å; W54-K58 PolarHBondContact O-N 2.89Å; L55-K58 PolarHBondContact O-N 3.17Å; K58-A61 PolarHBondContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CG 3.48Å
59	K	81.1	Confident	89.9	Confident	52 Å²	52	44.5 Å²	44.5	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-35.4	-178.4	-71.7	-75.9	-174.4	175.5	0	112.4	L48 L55 R56 A61 L62 L180	L48-K59 HydrophobicContact CD1-CD 4.41Å; L48-K59 HydrophobicContact CD1-CG 3.99Å; L55-K59 HydrophobicContact CD1-CG 4.02Å; L55-K59 HydrophobicContact CG-CG 4.21Å; L55-K59 WeakPolarHBondContact O-CB 3.45Å; L55-K59 VanDerWaalsContact O-CG 3.26Å; L55-K59 WeakPolarHBondContact O-CG 3.41Å; L55-K59 PolarHBondContact O-N 2.91Å; R56-K59 PolarHBondContact O-N 3.48Å; K59-A61 PolarHBondContact O-N 3.27Å; K59-L62 HydrophobicContact CD-CD1 4.4Å; K59-L62 PolarHBondContact O-N 2.89Å; K59-L62 VanDerWaalsContact O-N 3.14Å; K59-L180 HydrophobicContact CB-CD2 3.98Å
60	A	80.8	Confident	90	Very high	58 Å²	58	46.3 Å²	46.3	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-28.2	174.3	0	0	0	0	0	112.9	R56 E57 L62	R56-A60 WeakPolarHBondContact O-CB 3.14Å; R56-A60 PolarHBondContact O-N 2.75Å; E57-A60 PolarHBondContact O-N 3.04Å; A60-L62 VanDerWaalsContact C-N 3.29Å; A60-L62 PolarHBondContact O-N 3.36Å
61	A	83.8	Confident	90.1	Very high	80 Å²	80	50.2 Å²	50.2	66%	0.661	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.7	176.4	0	0	0	0	0	114.4	E57 K58 K59	E57-A61 PolarHBondContact O-N 3.02Å; K58-A61 PolarHBondContact O-N 3.14Å; K59-A61 PolarHBondContact O-N 3.27Å
62	L	85.4	Confident	90.2	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	27%	0.272	C	S	.	.	S	Bend	trans	-109.7	141	178.2	-54.1	175.7	0	0	0	109.4	K58 K59 A60 F83 R85 P181	K58-L62 WeakPolarHBondContact O-CG 3.48Å; K59-L62 HydrophobicContact CD-CD1 4.4Å; K59-L62 PolarHBondContact O-N 2.89Å; K59-L62 VanDerWaalsContact O-N 3.14Å; A60-L62 VanDerWaalsContact C-N 3.29Å; A60-L62 PolarHBondContact O-N 3.36Å; L62-F83 HydrophobicContact CB-CB 4.47Å; L62-F83 HydrophobicContact CB-CD2 4.39Å; L62-F83 HydrophobicContact CD1-CD2 3.85Å; L62-F83 HydrophobicContact CD1-CE2 4.06Å; L62-F83 HydrophobicContact CD1-CG 4.22Å; L62-F83 HydrophobicContact CD2-CD2 3.87Å; L62-F83 HydrophobicContact CD2-CE2 4.11Å; L62-F83 HydrophobicContact CG-CD2 4.23Å; L62-R85 HydrophobicContact CD2-CB 3.78Å; L62-R85 HydrophobicContact CD2-CG 3.82Å; L62-P181 VanDerWaalsContact O-CG 3.29Å; L62-P181 WeakPolarHBondContact O-CG 3.35Å
63	S	87.6	Confident	90.4	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.4	165.1	-48.7	0	0	0	0	109.2	F83 L84 P181	S63-F83 CarbonylContact O-C 3.41Å; S63-F83 WeakPolarHBondContact O-CA 3.19Å; S63-F83 WeakPolarHBondContact O-CB 3.48Å; S63-L84 PolarHBondContact N-O 3.01Å; S63-L84 VanDerWaalsContact N-O 3.17Å; S63-L84 PolarHBondContact O-N 3.4Å; S63-P181 CarbonylContact C-O 3.57Å; S63-P181 WeakPolarHBondContact CA-O 3.49Å
64	M	90	Very high	90.7	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.2	-179.1	-62.1	-53.9	-58.1	0	0	110.1	F83 L180 P181 Q182 T183	M64-F83 HydrophobicContact CE-CB 4.42Å; M64-F83 HydrophobicContact SD-CB 4.13Å; M64-L180 HydrophobicContact CG-CB 3.9Å; M64-L180 HydrophobicContact CG-CD1 3.79Å; M64-L180 HydrophobicContact CG-CG 4.45Å; M64-L180 HydrophobicContact SD-CD1 4.41Å; M64-P181 PolarHBondContact N-O 2.87Å; M64-Q182 WeakPolarHBondContact O-CA 3.3Å; M64-T183 PolarHBondContact O-N 2.71Å
65	C	90.2	Very high	91	Very high	1 Å²	1	50 Å²	50	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-82	178	-52.2	0	0	0	0	109.8	F44 T82 T183 K185 C186 M187	F44-C65 WeakPolarHBondContact CD1-O 3.47Å; F44-C65 VanDerWaalsContact CE1-O 3.22Å; F44-C65 WeakPolarHBondContact CE1-O 3.41Å; C65-T82 WeakPolarHBondContact CA-O 3.43Å; C65-T82 HydrophobicContact CB-CG2 4.07Å; C65-T82 VanDerWaalsContact CB-O 3.27Å; C65-T82 WeakPolarHBondContact CB-O 3.29Å; C65-T82 PolarHBondContact N-O 2.82Å; C65-T183 HydrophobicContact CB-CG2 4.47Å; C65-T183 WeakPolarHBondContact SG-CG2 3.27Å; C65-K185 WeakPolarHBondContact CB-O 2.99Å; C65-K185 PolarHBondContact SG-O 2.7Å; C65-C186 HydrophobicContact CB-CB 4.1Å; C65-M187 VanDerWaalsContact C-CE 3.44Å; C65-M187 HydrophobicContact CB-CE 4.09Å; C65-M187 WeakPolarHBondContact O-CE 3.45Å
66	K	94.5	Very high	91.6	Very high	27 Å²	27	48.8 Å²	48.8	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.3	178.8	63.7	179.8	179.6	-177.8	0	110.5	R42 F44 V68 T82 M187	R42-K66 HydrophobicContact CG-CB 4.32Å; F44-K66 HydrophobicContact CE1-CB 4.33Å; K66-V68 HydrophobicContact CD-CG2 4.26Å; K66-T82 PolarHBondContact N-O 2.78Å; K66-T82 PolarHBondContact O-N 2.71Å; K66-M187 HydrophobicContact CB-SD 4.07Å; K66-M187 WeakPolarHBondContact CE-O 3.41Å; K66-M187 PolarHBondContact NZ-O 3.37Å
67	S	97.1	Very high	92.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.2	162.2	-66.4	0	0	0	0	108.3	R42 W43 T80 S81 Y149	R42-S67 CarbonylContact C-O 3.6Å; R42-S67 WeakPolarHBondContact CA-O 3.48Å; W43-S67 PolarHBondContact N-O 2.94Å; W43-S67 PolarHBondContact O-N 2.76Å; W43-S67 VanDerWaalsContact O-O 3.11Å; S67-T80 CarbonylContact C-O 3.55Å; S67-T80 VanDerWaalsContact CA-O 3.28Å; S67-T80 WeakPolarHBondContact CA-O 3.41Å; S67-S81 PolarHBondContact OG-OG 3.37Å; S67-Y149 WeakPolarHBondContact OG-CE1 3.4Å; S67-Y149 PolarHBondContact OG-OH 3.11Å
68	V	97.9	Very high	92.7	Very high	49 Å²	49	42.6 Å²	42.6	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	175.8	-178.9	0	0	0	0	108.1	K66 T80	K66-V68 HydrophobicContact CD-CG2 4.26Å; V68-T80 PolarHBondContact N-O 3.48Å; V68-T80 PolarHBondContact O-N 3.22Å
69	V	98.5	Very high	93.2	Very high	6 Å²	6	38 Å²	38	4%	0.036	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.3	174.9	178.9	0	0	0	0	108	F39 L40 G41 L77 N78 L79	F39-V69 HydrophobicContact CD1-CG1 4.01Å; F39-V69 HydrophobicContact CE1-CG1 4.22Å; F39-V69 HydrophobicContact CE1-CG2 4.2Å; L40-V69 HydrophobicContact CD2-CG1 4.05Å; G41-V69 PolarHBondContact N-O 2.99Å; G41-V69 PolarHBondContact O-N 2.97Å; V69-L77 HydrophobicContact CG1-CB 4.28Å; V69-L77 HydrophobicContact CG1-CD1 3.81Å; V69-L77 HydrophobicContact CG1-CD2 3.76Å; V69-L77 HydrophobicContact CG1-CG 4.17Å; V69-N78 WeakPolarHBondContact CA-O 3.18Å; V69-L79 HydrophobicContact CG2-CD1 3.82Å
70	A	98.3	Very high	94	Very high	37 Å²	37	37.4 Å²	37.4	31%	0.306	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.5	179.1	0	0	0	0	0	110.3	L77 N78	A70-L77 CarbonylContact O-C 3.55Å; A70-L77 WeakPolarHBondContact O-CA 3.38Å; A70-N78 HydrophobicContact CB-CB 4.49Å; A70-N78 PolarHBondContact N-O 2.79Å; A70-N78 PolarHBondContact O-N 2.81Å
71	P	98	Very high	94.7	Very high	82 Å²	82	35.3 Å²	35.3	53%	0.532	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.4	174.7	27.2	-33.6	0	0	0	110.7
72	A	97.6	Very high	95.2	Very high	13 Å²	13	32 Å²	32	11%	0.107	20%	0.204	C	C	.	.			trans	-99.1	160.7	170.1	0	0	0	0	0	111	D74 G75 G76 L95	A72-D74 VanDerWaalsContact CB-OD1 3.29Å; A72-D74 WeakPolarHBondContact CB-OD1 3.21Å; A72-D74 PolarHBondContact O-N 3.43Å; A72-G75 PolarHBondContact O-N 2.93Å; A72-G76 PolarHBondContact N-O 2.78Å; A72-L95 HydrophobicContact CB-CD1 3.51Å
73	T	95.4	Very high	95.6	Very high	160 Å²	160	31.9 Å²	31.9	98%	0.982	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.5	-178	50.1	0	0	0	0	113.5	G75	T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 2.97Å
74	D	94.5	Very high	95.8	Very high	65 Å²	65	30.9 Å²	30.9	35%	0.348	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.2	176.6	68.2	-12.1	0	0	0	113.2	A72 G76	A72-D74 VanDerWaalsContact CB-OD1 3.29Å; A72-D74 WeakPolarHBondContact CB-OD1 3.21Å; A72-D74 PolarHBondContact O-N 3.43Å; D74-G76 PolarHBondContact O-N 3.34Å; D74-G76 PolarHBondContact OD1-N 2.91Å
75	G	94.7	Very high	95.8	Very high	41 Å²	41	36.2 Å²	36.2	42%	0.423	22%	0.215	S	C	.	.	S	Bend	trans	82.2	-5	-175.3	0	0	0	0	0	114	Q36 A72 T73	Q36-G75 PolarHBondContact NE2-O 2.84Å; A72-G75 PolarHBondContact O-N 2.93Å; T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 2.97Å
76	G	97.4	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-80.6	-154.7	175.8	0	0	0	0	0	113.9	A72 D74 L96	A72-G76 PolarHBondContact N-O 2.78Å; D74-G76 PolarHBondContact O-N 3.34Å; D74-G76 PolarHBondContact OD1-N 2.91Å; G76-L96 CarbonylContact C-O 3.58Å; G76-L96 WeakPolarHBondContact CA-O 3.47Å
77	L	98.4	Very high	95.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.4	179.5	-63.8	174.3	0	0	0	111.7	Q36 F39 L40 V69 A70 L96 Y105	Q36-L77 HydrophobicContact CG-CD2 3.77Å; Q36-L77 HydrophobicContact CG-CG 4.4Å; F39-L77 HydrophobicContact CD1-CD1 4Å; F39-L77 HydrophobicContact CE1-CD1 4.27Å; L40-L77 HydrophobicContact CD2-CD2 3.63Å; V69-L77 HydrophobicContact CG1-CB 4.28Å; V69-L77 HydrophobicContact CG1-CD1 3.81Å; V69-L77 HydrophobicContact CG1-CD2 3.76Å; V69-L77 HydrophobicContact CG1-CG 4.17Å; A70-L77 CarbonylContact O-C 3.55Å; A70-L77 WeakPolarHBondContact O-CA 3.38Å; L77-L96 HydrophobicContact CB-CB 4.21Å; L77-L96 HydrophobicContact CB-CD1 4.46Å; L77-L96 PolarHBondContact N-O 2.88Å; L77-L96 WeakPolarHBondContact O-CB 3.47Å; L77-L96 PolarHBondContact O-N 2.97Å; L77-Y105 HydrophobicContact CD1-CE1 3.93Å; L77-Y105 HydrophobicContact CD1-CE2 3.95Å; L77-Y105 VanDerWaalsContact CD1-CZ 3.49Å; L77-Y105 WeakPolarHBondContact CD1-OH 3.47Å; L77-Y105 HydrophobicContact CG-CE1 3.91Å
78	N	98.2	Very high	95.3	Very high	52 Å²	52	56.3 Å²	56.3	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.1	161.2	-76.1	-52.5	0	0	0	108.9	V69 A70 T93	V69-N78 WeakPolarHBondContact CA-O 3.18Å; A70-N78 HydrophobicContact CB-CB 4.49Å; A70-N78 PolarHBondContact N-O 2.79Å; A70-N78 PolarHBondContact O-N 2.81Å; N78-T93 HydrophobicContact CB-CG2 4.4Å
79	L	98	Very high	95.1	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103.7	173.6	176	62.9	0	0	0	109.6	V69 T93 M94 L96 Y149	V69-L79 HydrophobicContact CG2-CD1 3.82Å; L79-T93 CarbonylContact O-C 3.59Å; L79-T93 WeakPolarHBondContact O-CA 3.05Å; L79-M94 HydrophobicContact CB-CB 4.45Å; L79-M94 PolarHBondContact N-O 2.91Å; L79-M94 PolarHBondContact O-N 2.77Å; L79-L96 HydrophobicContact CB-CD1 4.28Å; L79-L96 HydrophobicContact CB-CG 4.47Å; L79-L96 HydrophobicContact CD2-CD1 4.47Å; L79-Y149 WeakPolarHBondContact CD1-OH 3.5Å
80	T	97.3	Very high	94.9	Very high	40 Å²	40	58.9 Å²	58.9	25%	0.245	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	109.3	179.4	-62.5	0	0	0	0	110	S67 V68 T91 R92 T93	S67-T80 CarbonylContact C-O 3.55Å; S67-T80 VanDerWaalsContact CA-O 3.28Å; S67-T80 WeakPolarHBondContact CA-O 3.41Å; V68-T80 PolarHBondContact N-O 3.48Å; V68-T80 PolarHBondContact O-N 3.22Å; T80-T91 HydrophobicContact CG2-CG2 3.31Å; T80-R92 CarbonylContact C-O 3.51Å; T80-R92 WeakPolarHBondContact CA-O 3.22Å; T80-T93 WeakPolarHBondContact OG1-CG2 3.03Å; T80-T93 PolarHBondContact OG1-OG1 2.85Å
81	S	95.6	Very high	94.7	Very high	13 Å²	13	60.6 Å²	60.6	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.5	178.5	-62.8	0	0	0	0	111.2	S67 T91 R92	S67-S81 PolarHBondContact OG-OG 3.37Å; S81-T91 CarbonylContact O-C 3.55Å; S81-T91 WeakPolarHBondContact O-CA 3.49Å; S81-R92 PolarHBondContact N-O 3.02Å; S81-R92 PolarHBondContact O-N 3.36Å
82	T	95	Very high	94.5	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.4	172.1	-55.9	0	0	0	0	109.5	C65 K66 E90 T91 C186	C65-T82 WeakPolarHBondContact CA-O 3.43Å; C65-T82 HydrophobicContact CB-CG2 4.07Å; C65-T82 VanDerWaalsContact CB-O 3.27Å; C65-T82 WeakPolarHBondContact CB-O 3.29Å; C65-T82 PolarHBondContact N-O 2.82Å; K66-T82 PolarHBondContact N-O 2.78Å; K66-T82 PolarHBondContact O-N 2.71Å; T82-E90 WeakPolarHBondContact CA-O 3.15Å; T82-T91 PolarHBondContact OG1-OG1 2.82Å; T82-C186 HydrophobicContact CG2-CB 3.69Å
83	F	93	Very high	94.4	Very high	18 Å²	18	66 Å²	66	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.5	-180	53.6	-92.2	0	0	0	110.9	L62 S63 M64 R85 E90 R92	L62-F83 HydrophobicContact CB-CB 4.47Å; L62-F83 HydrophobicContact CB-CD2 4.39Å; L62-F83 HydrophobicContact CD1-CD2 3.85Å; L62-F83 HydrophobicContact CD1-CE2 4.06Å; L62-F83 HydrophobicContact CD1-CG 4.22Å; L62-F83 HydrophobicContact CD2-CD2 3.87Å; L62-F83 HydrophobicContact CD2-CE2 4.11Å; L62-F83 HydrophobicContact CG-CD2 4.23Å; S63-F83 CarbonylContact O-C 3.41Å; S63-F83 WeakPolarHBondContact O-CA 3.19Å; S63-F83 WeakPolarHBondContact O-CB 3.48Å; M64-F83 HydrophobicContact CE-CB 4.42Å; M64-F83 HydrophobicContact SD-CB 4.13Å; F83-R85 HydrophobicContact CD2-CB 4.32Å; F83-R85 HydrophobicContact CE2-CB 4.33Å; F83-E90 HydrophobicContact CD2-CB 4.12Å; F83-E90 HydrophobicContact CE2-CB 3.59Å; F83-E90 HydrophobicContact CE2-CG 4.37Å; F83-E90 HydrophobicContact CZ-CB 3.84Å; F83-E90 PolarHBondContact N-O 3.39Å; F83-E90 PolarHBondContact O-N 3.35Å; F83-R92 HydrophobicContact CE1-CB 4.33Å; F83-R92 HydrophobicContact CE1-CG 3.81Å; F83-R92 HydrophobicContact CZ-CG 3.97Å
84	L	92.6	Very high	94.4	Very high	15 Å²	15	61 Å²	61	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.4	174.9	-165.3	76.3	0	0	0	109.8	S63 Q88 T183 K185	S63-L84 PolarHBondContact N-O 3.01Å; S63-L84 VanDerWaalsContact N-O 3.17Å; S63-L84 PolarHBondContact O-N 3.4Å; L84-Q88 WeakPolarHBondContact CA-O 3.37Å; L84-T183 HydrophobicContact CB-CG2 4.07Å; L84-K185 HydrophobicContact CD1-CD 4.44Å; L84-K185 HydrophobicContact CD2-CD 4.01Å
85	R	90.7	Very high	94.6	Very high	113 Å²	113	61.3 Å²	61.3	43%	0.426	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.6	174.6	-177.1	165.5	168.6	-131.5	7.8	109.2	L62 F83 N87 Q88 E90	L62-R85 HydrophobicContact CD2-CB 3.78Å; L62-R85 HydrophobicContact CD2-CG 3.82Å; F83-R85 HydrophobicContact CD2-CB 4.32Å; F83-R85 HydrophobicContact CE2-CB 4.33Å; R85-N87 PolarHBondContact O-N 3.44Å; R85-Q88 PolarHBondContact N-O 2.95Å; R85-Q88 PolarHBondContact O-N 3.16Å; R85-E90 HydrophobicContact CB-CG 4.49Å; R85-E90 VanDerWaalsContact CD-OE1 3.28Å; R85-E90 WeakPolarHBondContact CD-OE1 3.28Å; R85-E90 IonicContact CZ-OE1 3.87Å; R85-E90 IonicContact NE-OE1 3.95Å; R85-E90 IonicContact NH1-OE1 3.02Å; R85-E90 PolarHBondContact NH1-OE1 3.46Å; R85-E90 IonicContact NH1-OE2 3.67Å
86	K	90	Very high	94.7	Very high	188 Å²	188	59.8 Å²	59.8	82%	0.817	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	45	-177.1	-58.6	-177	176.5	-174.2	0	112.8	Q88	K86-Q88 PolarHBondContact O-N 2.84Å
87	N	87.5	Confident	94.7	Very high	129 Å²	129	63.6 Å²	63.6	69%	0.69	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	12.3	-175.4	-70.3	-39.1	0	0	0	116.5	R85	R85-N87 PolarHBondContact O-N 3.44Å
88	Q	93	Very high	94.7	Very high	134 Å²	134	66.9 Å²	66.9	63%	0.626	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.8	173	-65.3	-177.6	-32.3	0	0	110.7	L84 R85 K86 E90	L84-Q88 WeakPolarHBondContact CA-O 3.37Å; R85-Q88 PolarHBondContact N-O 2.95Å; R85-Q88 PolarHBondContact O-N 3.16Å; K86-Q88 PolarHBondContact O-N 2.84Å; Q88-E90 PolarHBondContact O-N 3.43Å
89	C	93.2	Very high	94.5	Very high	76 Å²	76	66.9 Å²	66.9	51%	0.514	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.5	173.2	-58.9	0	0	0	0	109	C186	C89-C186 VanDerWaalsContact CA-SG 3.52Å; C89-C186 HydrophobicContact CB-CB 3.68Å; C89-C186 WeakPolarHBondContact CB-SG 3.24Å; C89-C186 WeakPolarHBondContact SG-CB 3.47Å; C89-C186 CovalentContact SG-SG 2.02Å; C89-C186 PolarHBondContact SG-SG 3.18Å
90	E	94.1	Very high	94.1	Very high	32 Å²	32	70 Å²	70	15%	0.15	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.4	174.1	-70.7	-167	-144	0	0	109.8	T82 F83 R85 Q88 R92	T82-E90 WeakPolarHBondContact CA-O 3.15Å; F83-E90 HydrophobicContact CD2-CB 4.12Å; F83-E90 HydrophobicContact CE2-CB 3.59Å; F83-E90 HydrophobicContact CE2-CG 4.37Å; F83-E90 HydrophobicContact CZ-CB 3.84Å; F83-E90 PolarHBondContact N-O 3.39Å; F83-E90 PolarHBondContact O-N 3.35Å; R85-E90 HydrophobicContact CB-CG 4.49Å; R85-E90 VanDerWaalsContact CD-OE1 3.28Å; R85-E90 WeakPolarHBondContact CD-OE1 3.28Å; R85-E90 IonicContact CZ-OE1 3.87Å; R85-E90 IonicContact NE-OE1 3.95Å; R85-E90 IonicContact NH1-OE1 3.02Å; R85-E90 PolarHBondContact NH1-OE1 3.46Å; R85-E90 IonicContact NH1-OE2 3.67Å; Q88-E90 PolarHBondContact O-N 3.43Å; E90-R92 IonicContact OE2-CZ 2.65Å; E90-R92 IonicContact OE2-NH1 3.21Å; E90-R92 PolarHBondContact OE2-NH1 2.78Å; E90-R92 IonicContact OE2-NH2 3.32Å; E90-R92 PolarHBondContact OE2-NH2 2.87Å
91	T	94.3	Very high	93.8	Very high	73 Å²	73	71.4 Å²	71.4	45%	0.448	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.5	175.6	-62.6	0	0	0	0	110.1	T80 S81 T82	T80-T91 HydrophobicContact CG2-CG2 3.31Å; S81-T91 CarbonylContact O-C 3.55Å; S81-T91 WeakPolarHBondContact O-CA 3.49Å; T82-T91 PolarHBondContact OG1-OG1 2.82Å
92	R	94	Very high	93.8	Very high	126 Å²	126	77 Å²	77	48%	0.475	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.6	173.8	-66.4	-63.3	-176.7	-72.3	-7.6	109.7	T80 S81 F83 E90	T80-R92 CarbonylContact C-O 3.51Å; T80-R92 WeakPolarHBondContact CA-O 3.22Å; S81-R92 PolarHBondContact N-O 3.02Å; S81-R92 PolarHBondContact O-N 3.36Å; F83-R92 HydrophobicContact CE1-CB 4.33Å; F83-R92 HydrophobicContact CE1-CG 3.81Å; F83-R92 HydrophobicContact CZ-CG 3.97Å; E90-R92 IonicContact OE2-CZ 2.65Å; E90-R92 IonicContact OE2-NH1 3.21Å; E90-R92 PolarHBondContact OE2-NH1 2.78Å; E90-R92 IonicContact OE2-NH2 3.32Å; E90-R92 PolarHBondContact OE2-NH2 2.87Å
93	T	95.5	Very high	93.9	Very high	82 Å²	82	76.6 Å²	76.6	50%	0.503	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.1	176.9	-58.4	0	0	0	0	110	N78 L79 T80	N78-T93 HydrophobicContact CB-CG2 4.4Å; L79-T93 CarbonylContact O-C 3.59Å; L79-T93 WeakPolarHBondContact O-CA 3.05Å; T80-T93 WeakPolarHBondContact OG1-CG2 3.03Å; T80-T93 PolarHBondContact OG1-OG1 2.85Å
94	M	95.9	Very high	94.1	Very high	56 Å²	56	76.3 Å²	76.3	28%	0.276	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.6	174.2	-63.7	170.6	61.7	0	0	108.6	L79 Y107	L79-M94 HydrophobicContact CB-CB 4.45Å; L79-M94 PolarHBondContact N-O 2.91Å; L79-M94 PolarHBondContact O-N 2.77Å; M94-Y107 HydrophobicContact CB-CD2 4.2Å; M94-Y107 HydrophobicContact CB-CE2 4.07Å; M94-Y107 HydrophobicContact CE-CD1 3.49Å; M94-Y107 VanDerWaalsContact CE-CD1 3.49Å; M94-Y107 HydrophobicContact CE-CD2 3.87Å; M94-Y107 HydrophobicContact CE-CE1 3.54Å; M94-Y107 HydrophobicContact CE-CE2 3.93Å; M94-Y107 HydrophobicContact CE-CG 3.65Å; M94-Y107 HydrophobicContact CG-CE2 4.05Å
95	L	97.6	Very high	94.3	Very high	71 Å²	71	75.9 Å²	75.9	37%	0.372	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.8	170.3	179	62.8	0	0	0	109	A72 Q97	A72-L95 HydrophobicContact CB-CD1 3.51Å; L95-Q97 HydrophobicContact CD2-CG 4.29Å; L95-Q97 HydrophobicContact CG-CG 4.12Å
96	L	97.9	Very high	94.6	Very high	9 Å²	9	71.9 Å²	71.9	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	101.7	175.9	-58.3	-174.6	0	0	0	108.5	G76 L77 L79 Y105 V118	G76-L96 CarbonylContact C-O 3.58Å; G76-L96 WeakPolarHBondContact CA-O 3.47Å; L77-L96 HydrophobicContact CB-CB 4.21Å; L77-L96 HydrophobicContact CB-CD1 4.46Å; L77-L96 PolarHBondContact N-O 2.88Å; L77-L96 WeakPolarHBondContact O-CB 3.47Å; L77-L96 PolarHBondContact O-N 2.97Å; L79-L96 HydrophobicContact CB-CD1 4.28Å; L79-L96 HydrophobicContact CB-CG 4.47Å; L79-L96 HydrophobicContact CD2-CD1 4.47Å; L96-Y105 HydrophobicContact CB-CD1 4.05Å; L96-Y105 HydrophobicContact CB-CG 3.98Å; L96-V118 HydrophobicContact CD1-CG1 4.47Å; L96-V118 HydrophobicContact CD2-CG2 4.15Å
97	Q	97.8	Very high	95	Very high	81 Å²	81	65.1 Å²	65.1	38%	0.379	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.8	-176.2	-53	-171	-85.7	0	0	110.3	L95 A99 Y105 S106	L95-Q97 HydrophobicContact CD2-CG 4.29Å; L95-Q97 HydrophobicContact CG-CG 4.12Å; Q97-A99 PolarHBondContact O-N 2.76Å; Q97-Y105 CarbonylContact O-C 3.53Å; Q97-Y105 WeakPolarHBondContact O-CA 3.17Å; Q97-Y105 WeakPolarHBondContact O-CB 3.3Å; Q97-S106 PolarHBondContact N-O 2.92Å; Q97-S106 PolarHBondContact O-N 2.85Å
98	P	97.1	Very high	95.4	Very high	70 Å²	70	67.6 Å²	67.6	46%	0.455	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	136.4	177.2	-23.6	34.6	0	0	0	112.5
99	A	94.6	Very high	95.3	Very high	52 Å²	52	61.4 Å²	61.4	43%	0.43	35%	0.346	S	S	.	.			trans	-113.8	25	-178	0	0	0	0	0	114.1	Q97 S101 S104	Q97-A99 PolarHBondContact O-N 2.76Å; A99-S101 PolarHBondContact O-N 3.39Å; A99-S104 PolarHBondContact N-O 2.84Å
100	G	89.3	Confident	95.1	Very high	82 Å²	82	63.7 Å²	63.7	85%	0.845	36%	0.36	S	S	*	.	S	Bend	trans	97.6	-48.8	174.6	0	0	0	0	0	114.3
101	S	91.7	Very high	94.8	Very high	68 Å²	68	69.4 Å²	69.4	48%	0.476	39%	0.387	S	S	.	.	S	Bend	trans	-92.3	141.5	174.1	47.1	0	0	0	0	112.3	A99 G103 S104	A99-S101 PolarHBondContact O-N 3.39Å; S101-G103 PolarHBondContact O-N 3.07Å; S101-S104 WeakPolarHBondContact O-CB 2.91Å; S101-S104 PolarHBondContact O-N 2.94Å; S101-S104 WeakPolarHBondContact OG-CB 3.21Å; S101-S104 PolarHBondContact OG-OG 2.94Å
102	L	95.1	Very high	94.4	Very high	131 Å²	131	71.3 Å²	71.3	69%	0.686	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.6	174.3	-67.2	175.4	0	0	0	110.3	V30 F34 S104	V30-L102 WeakPolarHBondContact CG1-O 3.45Å; F34-L102 HydrophobicContact CB-CB 4.33Å; L102-S104 VanDerWaalsContact C-N 3.32Å
103	G	96.7	Very high	94.3	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.021	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-0.7	-176	0	0	0	0	0	114.5	F34 S101 S119 V120	F34-G103 VanDerWaalsContact CD1-CA 3.42Å; F34-G103 VanDerWaalsContact CD1-N 3.34Å; S101-G103 PolarHBondContact O-N 3.07Å; G103-S119 WeakPolarHBondContact O-CA 3.43Å; G103-V120 PolarHBondContact O-N 2.02Å
104	S	97.3	Very high	94.2	Very high	13 Å²	13	64.4 Å²	64.4	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	174.5	-54.6	0	0	0	0	111.6	V30 A99 S101 L102	V30-S104 VanDerWaalsContact CG2-OG 3.3Å; V30-S104 WeakPolarHBondContact CG2-OG 3.2Å; A99-S104 PolarHBondContact N-O 2.84Å; S101-S104 WeakPolarHBondContact O-CB 2.91Å; S101-S104 PolarHBondContact O-N 2.94Å; S101-S104 WeakPolarHBondContact OG-CB 3.21Å; S101-S104 PolarHBondContact OG-OG 2.94Å; L102-S104 VanDerWaalsContact C-N 3.32Å
105	Y	97.9	Very high	94.2	Very high	6 Å²	6	63 Å²	63	2%	0.024	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.3	-177	-54.3	-87.9	0	0	0	111.5	F34 Q36 L77 L96 Q97 S117 V118 V120	F34-Y105 VanDerWaalsContact CE1-OH 3.27Å; F34-Y105 WeakPolarHBondContact CE1-OH 3.46Å; Q36-Y105 PolarHBondContact OE1-OH 3.03Å; L77-Y105 HydrophobicContact CD1-CE1 3.93Å; L77-Y105 HydrophobicContact CD1-CE2 3.95Å; L77-Y105 VanDerWaalsContact CD1-CZ 3.49Å; L77-Y105 WeakPolarHBondContact CD1-OH 3.47Å; L77-Y105 HydrophobicContact CG-CE1 3.91Å; L96-Y105 HydrophobicContact CB-CD1 4.05Å; L96-Y105 HydrophobicContact CB-CG 3.98Å; Q97-Y105 CarbonylContact O-C 3.53Å; Q97-Y105 WeakPolarHBondContact O-CA 3.17Å; Q97-Y105 WeakPolarHBondContact O-CB 3.3Å; Y105-S117 CarbonylContact O-C 3.54Å; Y105-S117 WeakPolarHBondContact O-CA 3.41Å; Y105-V118 PolarHBondContact N-O 2.87Å; Y105-V118 PolarHBondContact O-N 2.81Å; Y105-V120 HydrophobicContact CE2-CG2 4.4Å
106	S	96.9	Very high	94.2	Very high	28 Å²	28	60.6 Å²	60.6	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	172.2	177.6	0	0	0	0	109.2	Q97 T115 Y116	Q97-S106 PolarHBondContact N-O 2.92Å; Q97-S106 PolarHBondContact O-N 2.85Å; S106-T115 WeakPolarHBondContact OG-CG2 3.42Å; S106-Y116 CarbonylContact C-O 3.54Å; S106-Y116 WeakPolarHBondContact CA-O 3.28Å
107	Y	97	Very high	94.1	Very high	46 Å²	46	61.6 Å²	61.6	18%	0.18	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.2	171.6	168	-117.1	0	0	0	109.3	M94 S109 T115 Y116	M94-Y107 HydrophobicContact CB-CD2 4.2Å; M94-Y107 HydrophobicContact CB-CE2 4.07Å; M94-Y107 HydrophobicContact CE-CD1 3.49Å; M94-Y107 VanDerWaalsContact CE-CD1 3.49Å; M94-Y107 HydrophobicContact CE-CD2 3.87Å; M94-Y107 HydrophobicContact CE-CE1 3.54Å; M94-Y107 HydrophobicContact CE-CE2 3.93Å; M94-Y107 HydrophobicContact CE-CG 3.65Å; M94-Y107 HydrophobicContact CG-CE2 4.05Å; Y107-S109 PolarHBondContact OH-OG 3.24Å; Y107-T115 CarbonylContact O-C 3.48Å; Y107-T115 WeakPolarHBondContact O-CA 3.48Å; Y107-Y116 AromaticContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CE2 4.46Å; Y107-Y116 HydrophobicContact CD1-CG 4.43Å; Y107-Y116 HydrophobicContact CE1-CD2 4.14Å; Y107-Y116 HydrophobicContact CE1-CE2 4.46Å; Y107-Y116 PolarHBondContact N-O 3.31Å; Y107-Y116 PolarHBondContact O-N 2.85Å
108	R	95.8	Very high	94.1	Very high	182 Å²	182	58.2 Å²	58.2	69%	0.687	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.7	171.1	-173.3	173	-177.2	156.3	-0.9	109.2	P110	R108-P110 VanDerWaalsContact O-CD 3.31Å; R108-P110 WeakPolarHBondContact O-CD 3.49Å
109	S	92.3	Very high	94.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.7	174.7	-171.8	0	0	0	0	110.8	Y107 H111 W112 G113 S114	Y107-S109 PolarHBondContact OH-OG 3.24Å; S109-H111 PolarHBondContact O-N 2.86Å; S109-W112 PolarHBondContact OG-N 3.4Å; S109-G113 PolarHBondContact O-N 3.03Å; S109-S114 PolarHBondContact N-O 2.78Å
110	P	87.8	Confident	94.3	Very high	124 Å²	124	53.1 Å²	53.1	81%	0.805	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.9	173.4	-21.1	34.1	0	0	0	111.9	R108	R108-P110 VanDerWaalsContact O-CD 3.31Å; R108-P110 WeakPolarHBondContact O-CD 3.49Å
111	H	87.8	Confident	94.7	Very high	152 Å²	152	49.8 Å²	49.8	70%	0.704	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-40.4	-176.4	-174	60.6	0	0	0	113	S109	S109-H111 PolarHBondContact O-N 2.86Å
112	W	85.9	Confident	95	Very high	114 Å²	114	49.6 Å²	49.6	43%	0.432	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.7	-176.4	-59.4	115.4	0	0	0	114	W54 S109 S114 P139	W54-W112 AromaticContact CH2-CH2 3.81Å; W54-W112 HydrophobicContact CH2-CH2 3.81Å; W54-W112 AromaticContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CZ2-CH2 4.2Å; W54-W112 HydrophobicContact CZ2-CZ2 4.32Å; W54-W112 HydrophobicContact CZ3-CH2 4.03Å; W54-W112 AromaticContact CZ3-CZ2 3.7Å; W54-W112 HydrophobicContact CZ3-CZ2 3.7Å; S109-W112 PolarHBondContact OG-N 3.4Å; W112-S114 PolarHBondContact O-N 2.91Å; W112-S114 PolarHBondContact O-OG 2.86Å; W112-P139 WeakPolarHBondContact O-CG 3.17Å
113	G	91.7	Very high	95.2	Very high	61 Å²	61	43.7 Å²	43.7	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	21.9	-175	0	0	0	0	0	113.5	S109	S109-G113 PolarHBondContact O-N 3.03Å
114	S	94.7	Very high	95.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.9	-170.1	-59	0	0	0	0	111.2	S109 W112 K137 P139 G140	S109-S114 PolarHBondContact N-O 2.78Å; W112-S114 PolarHBondContact O-N 2.91Å; W112-S114 PolarHBondContact O-OG 2.86Å; S114-K137 CarbonylContact C-O 3.56Å; S114-K137 WeakPolarHBondContact CA-O 3.46Å; S114-K137 WeakPolarHBondContact CB-O 3.1Å; S114-P139 VanDerWaalsContact OG-CD 3.27Å; S114-P139 WeakPolarHBondContact OG-CD 3.48Å; S114-P139 WeakPolarHBondContact OG-CG 3.45Å; S114-G140 PolarHBondContact OG-N 3.2Å
115	T	95.8	Very high	95.4	Very high	25 Å²	25	46.7 Å²	46.7	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.1	170.8	-50.1	0	0	0	0	108.5	S106 Y107 S136 K137	S106-T115 WeakPolarHBondContact OG-CG2 3.42Å; Y107-T115 CarbonylContact O-C 3.48Å; Y107-T115 WeakPolarHBondContact O-CA 3.48Å; T115-S136 PolarHBondContact O-N 2.9Å; T115-S136 PolarHBondContact O-OG 2.83Å; T115-K137 PolarHBondContact N-O 2.79Å; T115-K137 PolarHBondContact O-N 2.85Å
116	Y	96.4	Very high	95.4	Very high	22 Å²	22	51.4 Å²	51.4	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.7	-179.5	-57.4	-87.7	0	0	0	109.1	S106 Y107 Q134 F143	S106-Y116 CarbonylContact C-O 3.54Å; S106-Y116 WeakPolarHBondContact CA-O 3.28Å; Y107-Y116 AromaticContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CE2 4.46Å; Y107-Y116 HydrophobicContact CD1-CG 4.43Å; Y107-Y116 HydrophobicContact CE1-CD2 4.14Å; Y107-Y116 HydrophobicContact CE1-CE2 4.46Å; Y107-Y116 PolarHBondContact N-O 3.31Å; Y107-Y116 PolarHBondContact O-N 2.85Å; Y116-Q134 CarbonylContact C-O 3.56Å; Y116-Q134 WeakPolarHBondContact CA-O 3.38Å; Y116-Q134 WeakPolarHBondContact CB-O 3.49Å; Y116-F143 HydrophobicContact CD1-CB 4.44Å; Y116-F143 AromaticContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CE1 4.29Å; Y116-F143 HydrophobicContact CD1-CG 4.36Å; Y116-F143 HydrophobicContact CE1-CB 3.83Å; Y116-F143 AromaticContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CE1 4.35Å; Y116-F143 AromaticContact CE1-CG 3.87Å; Y116-F143 HydrophobicContact CE1-CG 3.87Å
117	S	96.7	Very high	95.4	Very high	30 Å²	30	53.2 Å²	53.2	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.8	164.4	58.9	0	0	0	0	109.2	Y105 S133 Q134	Y105-S117 CarbonylContact O-C 3.54Å; Y105-S117 WeakPolarHBondContact O-CA 3.41Å; S117-S133 WeakPolarHBondContact O-CA 3.11Å; S117-Q134 PolarHBondContact N-O 3Å; S117-Q134 PolarHBondContact O-N 3.16Å; S117-Q134 VanDerWaalsContact O-N 3.08Å; S117-Q134 WeakPolarHBondContact OG-CG 3.49Å; S117-Q134 PolarHBondContact OG-O 3.32Å
118	V	97.6	Very high	95.5	Very high	10 Å²	10	51.9 Å²	51.9	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.2	176.4	-177.4	0	0	0	0	108.1	L96 Y105 L131 Y132	L96-V118 HydrophobicContact CD1-CG1 4.47Å; L96-V118 HydrophobicContact CD2-CG2 4.15Å; Y105-V118 PolarHBondContact N-O 2.87Å; Y105-V118 PolarHBondContact O-N 2.81Å; V118-L131 HydrophobicContact CG1-CD2 4.32Å; V118-Y132 WeakPolarHBondContact CA-O 3.48Å
119	S	97.8	Very high	95.7	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134	-177.5	-60.3	0	0	0	0	110.7	G103 V121 L131 Y132	G103-S119 WeakPolarHBondContact O-CA 3.43Å; S119-V121 PolarHBondContact O-N 3.22Å; S119-L131 VanDerWaalsContact O-CA 3.28Å; S119-L131 WeakPolarHBondContact O-CA 3.01Å; S119-Y132 PolarHBondContact N-O 3.3Å; S119-Y132 PolarHBondContact O-N 3.29Å
120	V	98.4	Very high	96	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	101.7	164.8	-175.3	0	0	0	0	107.5	V30 Q31 F34 F39 G103 Y105 T123 L131	V30-V120 WeakPolarHBondContact CG1-O 3.09Å; Q31-V120 PolarHBondContact N-O 2.88Å; F34-V120 HydrophobicContact CD2-CB 4.24Å; F34-V120 HydrophobicContact CD2-CG1 4.16Å; F34-V120 HydrophobicContact CE2-CB 3.94Å; F34-V120 HydrophobicContact CE2-CG1 3.81Å; F34-V120 HydrophobicContact CE2-CG2 3.95Å; F34-V120 HydrophobicContact CZ-CG2 4.14Å; F39-V120 HydrophobicContact CE1-CG2 4.17Å; F39-V120 HydrophobicContact CE2-CG1 4.36Å; F39-V120 HydrophobicContact CE2-CG2 4.48Å; F39-V120 HydrophobicContact CZ-CG2 4.1Å; G103-V120 PolarHBondContact O-N 2.02Å; Y105-V120 HydrophobicContact CE2-CG2 4.4Å; V120-T123 HydrophobicContact CG1-CG2 3.75Å; V120-L131 HydrophobicContact CG2-CG 4.39Å
121	V	98.1	Very high	96.5	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-44.8	-171.6	-179.3	0	0	0	0	111.4	V28 S29 V30 Q31 S119 L130 F166	V28-V121 HydrophobicContact CG1-CG2 4.41Å; V28-V121 HydrophobicContact CG2-CB 4.38Å; V28-V121 HydrophobicContact CG2-CG1 4Å; V28-V121 HydrophobicContact CG2-CG2 3.45Å; V28-V121 VanDerWaalsContact CG2-CG2 3.45Å; S29-V121 WeakPolarHBondContact O-CA 3.46Å; S29-V121 WeakPolarHBondContact O-CG1 3.39Å; V30-V121 CarbonylContact C-O 3.59Å; Q31-V121 WeakPolarHBondContact CA-O 3.22Å; Q31-V121 PolarHBondContact N-O 3.12Å; S119-V121 PolarHBondContact O-N 3.22Å; V121-L130 HydrophobicContact CB-CB 4.44Å; V121-L130 WeakPolarHBondContact CB-O 3.47Å; V121-L130 PolarHBondContact N-O 3.46Å; V121-F166 HydrophobicContact CB-CE2 4.4Å; V121-F166 HydrophobicContact CB-CZ 4.38Å; V121-F166 HydrophobicContact CG1-CE2 3.81Å; V121-F166 HydrophobicContact CG1-CZ 4.27Å; V121-F166 HydrophobicContact CG2-CE2 4.34Å; V121-F166 HydrophobicContact CG2-CZ 3.98Å
122	E	98.4	Very high	97	Very high	65 Å²	65	30.5 Å²	30.5	30%	0.304	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	134.9	-177.3	-171.7	-179	169.6	0	0	108.5	Y128 A129 L130 K162	E122-Y128 VanDerWaalsContact CD-OH 3.29Å; E122-Y128 HydrophobicContact CG-CE2 4.1Å; E122-Y128 WeakPolarHBondContact CG-OH 3.33Å; E122-Y128 PolarHBondContact OE1-OH 2.8Å; E122-A129 CarbonylContact O-C 3.59Å; E122-A129 WeakPolarHBondContact O-CA 3.43Å; E122-L130 HydrophobicContact CB-CB 4.31Å; E122-L130 HydrophobicContact CB-CD1 4.19Å; E122-L130 HydrophobicContact CB-CG 4.38Å; E122-L130 PolarHBondContact N-O 2.99Å; E122-L130 PolarHBondContact O-N 3.07Å; E122-K162 IonicContact OE1-NZ 2.74Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; E122-K162 IonicContact OE2-NZ 3.94Å
123	T	98.7	Very high	97.5	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	143.7	173	-176.1	0	0	0	0	110.8	Q31 F34 V120 Y125 Y128	Q31-T123 HydrophobicContact CB-CG2 4.44Å; Q31-T123 HydrophobicContact CG-CG2 3.98Å; Q31-T123 PolarHBondContact OE1-O 3.43Å; F34-T123 HydrophobicContact CD2-CG2 4.35Å; F34-T123 HydrophobicContact CE2-CG2 4.29Å; V120-T123 HydrophobicContact CG1-CG2 3.75Å; T123-Y125 HydrophobicContact CG2-CD1 3.94Å; T123-Y125 HydrophobicContact CG2-CE1 3.75Å; T123-Y125 HydrophobicContact CG2-CG 4.46Å; T123-Y125 PolarHBondContact OG1-N 3.4Å; T123-Y128 WeakPolarHBondContact CA-O 3.41Å; T123-Y128 WeakPolarHBondContact CB-O 3.49Å; T123-Y128 PolarHBondContact OG1-O 2.98Å
124	D	98.4	Very high	97.7	Very high	45 Å²	45	23.8 Å²	23.8	24%	0.241	12%	0.123	C	C	.	.			trans	-97.7	5.2	165.7	61.9	4.6	0	0	0	112.6	D126 Q127 Y128	D124-D126 PolarHBondContact O-N 2.95Å; D124-D126 PolarHBondContact OD1-N 2.85Å; D124-Q127 WeakPolarHBondContact OD1-CA 3.45Å; D124-Q127 PolarHBondContact OD1-N 3.31Å; D124-Q127 WeakPolarHBondContact OD2-CB 3.36Å; D124-Q127 PolarHBondContact OD2-NE2 3.49Å; D124-Q127 VanDerWaalsContact OD2-NE2 3.12Å; D124-Y128 HydrophobicContact CB-CD1 4.47Å; D124-Y128 HydrophobicContact CB-CE1 4.04Å; D124-Y128 VanDerWaalsContact CG-CD1 3.46Å; D124-Y128 VanDerWaalsContact CG-CE1 3.46Å; D124-Y128 PolarHBondContact N-O 3.33Å; D124-Y128 WeakPolarHBondContact OD1-CD1 3.45Å; D124-Y128 PolarHBondContact OD1-N 3.14Å; D124-Y128 VanDerWaalsContact OD2-CD1 3.22Å; D124-Y128 WeakPolarHBondContact OD2-CD1 3.47Å; D124-Y128 WeakPolarHBondContact OD2-CE1 3.49Å
125	Y	98.6	Very high	97.7	Very high	32 Å²	32	23.9 Å²	23.9	13%	0.125	13%	0.125	C	C	.	.	S	Bend	trans	66.3	-33.3	-178.2	-47.9	-81.3	0	0	0	115.3	N33 F34 Q35 K38 F39 W43 T123 R151	N33-Y125 PolarHBondContact O-OH 3.19Å; F34-Y125 WeakPolarHBondContact CA-OH 3.33Å; F34-Y125 HydrophobicContact CD2-CE1 4.23Å; F34-Y125 HydrophobicContact CE2-CE1 4.25Å; Q35-Y125 HydrophobicContact CB-CE1 4.1Å; Q35-Y125 PolarHBondContact N-OH 3.39Å; Q35-Y125 WeakPolarHBondContact O-CE1 3.39Å; K38-Y125 HydrophobicContact CB-CD1 3.45Å; K38-Y125 VanDerWaalsContact CB-CD1 3.45Å; K38-Y125 HydrophobicContact CB-CD2 4.32Å; K38-Y125 HydrophobicContact CB-CE1 4.01Å; K38-Y125 HydrophobicContact CB-CG 3.63Å; K38-Y125 HydrophobicContact CD-CD2 4.29Å; K38-Y125 HydrophobicContact CD-CG 4.4Å; F39-Y125 HydrophobicContact CB-CD1 4.35Å; W43-Y125 WeakPolarHBondContact CH2-O 3.35Å; T123-Y125 HydrophobicContact CG2-CD1 3.94Å; T123-Y125 HydrophobicContact CG2-CE1 3.75Å; T123-Y125 HydrophobicContact CG2-CG 4.46Å; T123-Y125 PolarHBondContact OG1-N 3.4Å; Y125-R151 VanDerWaalsContact O-CZ 3.31Å; Y125-R151 PolarHBondContact O-NE 2.72Å; Y125-R151 PolarHBondContact O-NH2 3.18Å
126	D	98.3	Very high	97.5	Very high	105 Å²	105	25 Å²	25	56%	0.561	13%	0.133	S	C	*	.	S	Bend	trans	-103.4	-15.4	-170.2	70.8	-10.4	0	0	0	114.7	D124 R151	D124-D126 PolarHBondContact O-N 2.95Å; D124-D126 PolarHBondContact OD1-N 2.85Å; D126-R151 VanDerWaalsContact C-CG 3.45Å; D126-R151 WeakPolarHBondContact O-CB 3.28Å; D126-R151 WeakPolarHBondContact O-CG 3.13Å
127	Q	98.4	Very high	97.4	Very high	66 Å²	66	31 Å²	31	31%	0.308	16%	0.16	S	C	.	.	S	Bend	trans	-127.1	-46.6	177.7	-61.6	169.4	87.6	0	0	112.7	D124 S150 R151	D124-Q127 WeakPolarHBondContact OD1-CA 3.45Å; D124-Q127 PolarHBondContact OD1-N 3.31Å; D124-Q127 WeakPolarHBondContact OD2-CB 3.36Å; D124-Q127 PolarHBondContact OD2-NE2 3.49Å; D124-Q127 VanDerWaalsContact OD2-NE2 3.12Å; Q127-S150 CarbonylContact O-C 3.52Å; Q127-S150 WeakPolarHBondContact O-CA 3.27Å; Q127-R151 PolarHBondContact O-N 2.89Å
128	Y	98.7	Very high	97.2	Very high	18 Å²	18	31.1 Å²	31.1	7%	0.071	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165	-173.6	78	-76.7	0	0	0	114.3	E122 T123 D124 L130 Y149 L159 K162	E122-Y128 VanDerWaalsContact CD-OH 3.29Å; E122-Y128 HydrophobicContact CG-CE2 4.1Å; E122-Y128 WeakPolarHBondContact CG-OH 3.33Å; E122-Y128 PolarHBondContact OE1-OH 2.8Å; T123-Y128 WeakPolarHBondContact CA-O 3.41Å; T123-Y128 WeakPolarHBondContact CB-O 3.49Å; T123-Y128 PolarHBondContact OG1-O 2.98Å; D124-Y128 HydrophobicContact CB-CD1 4.47Å; D124-Y128 HydrophobicContact CB-CE1 4.04Å; D124-Y128 VanDerWaalsContact CG-CD1 3.46Å; D124-Y128 VanDerWaalsContact CG-CE1 3.46Å; D124-Y128 PolarHBondContact N-O 3.33Å; D124-Y128 WeakPolarHBondContact OD1-CD1 3.45Å; D124-Y128 PolarHBondContact OD1-N 3.14Å; D124-Y128 VanDerWaalsContact OD2-CD1 3.22Å; D124-Y128 WeakPolarHBondContact OD2-CD1 3.47Å; D124-Y128 WeakPolarHBondContact OD2-CE1 3.49Å; Y128-L130 HydrophobicContact CD2-CD2 4.34Å; Y128-L130 HydrophobicContact CD2-CG 4.12Å; Y128-L130 HydrophobicContact CE2-CD1 4.49Å; Y128-L130 HydrophobicContact CE2-CG 4.05Å; Y128-Y149 CarbonylContact C-O 3.59Å; Y128-Y149 WeakPolarHBondContact CA-O 3.34Å; Y128-Y149 WeakPolarHBondContact CB-O 3.43Å; Y128-L159 HydrophobicContact CD1-CD2 3.52Å; Y128-L159 HydrophobicContact CE1-CD2 4.18Å; Y128-L159 HydrophobicContact CG-CD2 3.75Å; Y128-K162 HydrophobicContact CD2-CD 4.07Å; Y128-K162 HydrophobicContact CE1-CD 4.37Å; Y128-K162 HydrophobicContact CE2-CD 3.4Å; Y128-K162 WeakPolarHBondContact OH-CE 3.44Å; Y128-K162 PolarHBondContact OH-NZ 3.48Å
129	A	98.8	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.5	163.8	0	0	0	0	0	111.1	F39 W43 E122 L131 Y149	F39-A129 HydrophobicContact CE2-CB 3.57Å; F39-A129 HydrophobicContact CZ-CB 4.31Å; W43-A129 HydrophobicContact CH2-CB 4.09Å; W43-A129 HydrophobicContact CZ2-CB 4.48Å; W43-A129 HydrophobicContact CZ3-CB 4.31Å; E122-A129 CarbonylContact O-C 3.59Å; E122-A129 WeakPolarHBondContact O-CA 3.43Å; A129-L131 HydrophobicContact CB-CD1 3.72Å; A129-Y149 PolarHBondContact N-O 3.32Å; A129-Y149 PolarHBondContact O-N 3.41Å
130	L	98.6	Very high	96.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.7	170.3	-57.4	-176	0	0	0	108.4	V121 E122 Y128 L148 K162 F163 F166	V121-L130 HydrophobicContact CB-CB 4.44Å; V121-L130 WeakPolarHBondContact CB-O 3.47Å; V121-L130 PolarHBondContact N-O 3.46Å; E122-L130 HydrophobicContact CB-CB 4.31Å; E122-L130 HydrophobicContact CB-CD1 4.19Å; E122-L130 HydrophobicContact CB-CG 4.38Å; E122-L130 PolarHBondContact N-O 2.99Å; E122-L130 PolarHBondContact O-N 3.07Å; Y128-L130 HydrophobicContact CD2-CD2 4.34Å; Y128-L130 HydrophobicContact CD2-CG 4.12Å; Y128-L130 HydrophobicContact CE2-CD1 4.49Å; Y128-L130 HydrophobicContact CE2-CG 4.05Å; L130-L148 HydrophobicContact CD2-CD1 3.83Å; L130-K162 HydrophobicContact CD1-CD 4.34Å; L130-K162 HydrophobicContact CD1-CG 4.18Å; L130-F163 HydrophobicContact CD2-CB 4.28Å; L130-F163 HydrophobicContact CD2-CD2 3.97Å; L130-F166 HydrophobicContact CB-CD1 4.4Å; L130-F166 HydrophobicContact CB-CE1 4.49Å; L130-F166 HydrophobicContact CD1-CB 3.86Å; L130-F166 HydrophobicContact CD1-CD1 4.24Å; L130-F166 HydrophobicContact CD1-CD2 4.41Å; L130-F166 HydrophobicContact CD1-CG 3.91Å
131	L	98.4	Very high	96.3	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.7	176.4	-76.6	69.7	0	0	0	109.7	F39 V118 S119 V120 A129 A146 T147 Y149	F39-L131 HydrophobicContact CZ-CD1 4.29Å; V118-L131 HydrophobicContact CG1-CD2 4.32Å; S119-L131 VanDerWaalsContact O-CA 3.28Å; S119-L131 WeakPolarHBondContact O-CA 3.01Å; V120-L131 HydrophobicContact CG2-CG 4.39Å; A129-L131 HydrophobicContact CB-CD1 3.72Å; L131-A146 CarbonylContact O-C 3.4Å; L131-A146 WeakPolarHBondContact O-CA 3.01Å; L131-T147 PolarHBondContact N-O 3.08Å; L131-T147 PolarHBondContact O-N 2.78Å; L131-Y149 HydrophobicContact CD1-CD2 3.75Å; L131-Y149 HydrophobicContact CD2-CD2 3.97Å; L131-Y149 HydrophobicContact CD2-CE2 3.91Å; L131-Y149 HydrophobicContact CG-CD2 4.49Å
132	Y	97.9	Very high	96.1	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	170.5	-167.9	-99.2	0	0	0	109.7	V28 V118 S119 Q134 R144 M145 F166 Q170 F172	V28-Y132 HydrophobicContact CB-CD1 4Å; V28-Y132 HydrophobicContact CB-CG 4.26Å; V28-Y132 HydrophobicContact CG1-CD1 3.85Å; V28-Y132 HydrophobicContact CG1-CG 4.25Å; V28-Y132 HydrophobicContact CG2-CD1 4.35Å; V28-Y132 HydrophobicContact CG2-CG 4.1Å; V118-Y132 WeakPolarHBondContact CA-O 3.48Å; S119-Y132 PolarHBondContact N-O 3.3Å; S119-Y132 PolarHBondContact O-N 3.29Å; Y132-Q134 HydrophobicContact CE1-CB 4.03Å; Y132-Q134 HydrophobicContact CE1-CG 4.26Å; Y132-R144 WeakPolarHBondContact OH-CD 3.4Å; Y132-M145 CarbonylContact C-O 3.49Å; Y132-M145 WeakPolarHBondContact CA-O 3.13Å; Y132-F166 HydrophobicContact CD2-CZ 4.06Å; Y132-Q170 HydrophobicContact CD2-CG 4.24Å; Y132-Q170 HydrophobicContact CE2-CB 4.07Å; Y132-Q170 HydrophobicContact CE2-CG 4.01Å; Y132-F172 AromaticContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CZ 4.27Å
133	S	96.8	Very high	95.9	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.9	176.8	-52.2	0	0	0	0	110	S117 R144 M145	S117-S133 WeakPolarHBondContact O-CA 3.11Å; S133-R144 CarbonylContact O-C 3.58Å; S133-R144 WeakPolarHBondContact O-CA 3.49Å; S133-M145 PolarHBondContact N-O 2.91Å; S133-M145 PolarHBondContact O-N 3.22Å
134	Q	95.8	Very high	95.8	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.8	173.6	64.8	178.3	30.9	0	0	110.8	Y116 S117 Y132 F143 R144	Y116-Q134 CarbonylContact C-O 3.56Å; Y116-Q134 WeakPolarHBondContact CA-O 3.38Å; Y116-Q134 WeakPolarHBondContact CB-O 3.49Å; S117-Q134 PolarHBondContact N-O 3Å; S117-Q134 PolarHBondContact O-N 3.16Å; S117-Q134 VanDerWaalsContact O-N 3.08Å; S117-Q134 WeakPolarHBondContact OG-CG 3.49Å; S117-Q134 PolarHBondContact OG-O 3.32Å; Y132-Q134 HydrophobicContact CE1-CB 4.03Å; Y132-Q134 HydrophobicContact CE1-CG 4.26Å; Q134-F143 CarbonylContact C-O 3.47Å; Q134-F143 WeakPolarHBondContact CA-O 3.41Å; Q134-R144 HydrophobicContact CB-CG 4.27Å
135	G	95	Very high	95.7	Very high	4 Å²	4	49.7 Å²	49.7	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.8	170.3	0	0	0	0	0	111	G140 F143	G135-G140 VanDerWaalsContact CA-O 3.28Å; G135-G140 WeakPolarHBondContact CA-O 3.44Å; G135-F143 PolarHBondContact N-O 2.88Å
136	S	92.8	Very high	95.7	Very high	47 Å²	47	48.2 Å²	48.2	33%	0.329	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-13.3	175.1	60.9	0	0	0	0	112.9	T115	T115-S136 PolarHBondContact O-N 2.9Å; T115-S136 PolarHBondContact O-OG 2.83Å
137	K	92.7	Very high	95.7	Very high	150 Å²	150	43.9 Å²	43.9	65%	0.652	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-162.2	139.2	175.9	-170.9	172.4	-178.6	170.6	0	111.6	S114 T115	S114-K137 CarbonylContact C-O 3.56Å; S114-K137 WeakPolarHBondContact CA-O 3.46Å; S114-K137 WeakPolarHBondContact CB-O 3.1Å; T115-K137 PolarHBondContact N-O 2.79Å; T115-K137 PolarHBondContact O-N 2.85Å
138	G	93.1	Very high	95.7	Very high	31 Å²	31	40.8 Å²	40.8	32%	0.32	22%	0.218	S	C	.	.	S	Bend	trans	94.4	-171.4	171.7	0	0	0	0	0	112.9	G140 E141	G138-G140 PolarHBondContact O-N 2.81Å; G138-E141 WeakPolarHBondContact O-CB 3.34Å; G138-E141 PolarHBondContact O-N 2.9Å
139	P	91.9	Very high	95.7	Very high	117 Å²	117	40.4 Å²	40.4	76%	0.76	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	-173.4	25.7	-35.7	0	0	0	114.3	W112 S114	W112-P139 WeakPolarHBondContact O-CG 3.17Å; S114-P139 VanDerWaalsContact OG-CD 3.27Å; S114-P139 WeakPolarHBondContact OG-CD 3.48Å; S114-P139 WeakPolarHBondContact OG-CG 3.45Å
140	G	90.9	Very high	95.7	Very high	11 Å²	11	40.4 Å²	40.4	11%	0.113	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11.5	175.2	0	0	0	0	0	115.2	S114 G135 G138 D142 F143	S114-G140 PolarHBondContact OG-N 3.2Å; G135-G140 VanDerWaalsContact CA-O 3.28Å; G135-G140 WeakPolarHBondContact CA-O 3.44Å; G138-G140 PolarHBondContact O-N 2.81Å; G140-D142 VanDerWaalsContact C-N 3.28Å; G140-D142 PolarHBondContact O-N 3.42Å; G140-F143 WeakPolarHBondContact O-CB 3.45Å; G140-F143 PolarHBondContact O-N 3.17Å
141	E	91.8	Very high	95.6	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.2	-177.5	-168.1	168.8	-174.2	0	0	113	G138 F143	G138-E141 WeakPolarHBondContact O-CB 3.34Å; G138-E141 PolarHBondContact O-N 2.9Å; E141-F143 PolarHBondContact O-N 2.8Å
142	D	93.2	Very high	95.5	Very high	139 Å²	139	46 Å²	46	74%	0.743	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.9	177.9	-65.8	-37.3	0	0	0	114.1	N51 G140 R144	N51-D142 PolarHBondContact ND2-O 2.84Å; G140-D142 VanDerWaalsContact C-N 3.28Å; G140-D142 PolarHBondContact O-N 3.42Å; D142-R144 PolarHBondContact O-N 3.21Å
143	F	94.9	Very high	95.4	Very high	40 Å²	40	48 Å²	48	18%	0.175	25%	0.254	C	S	.	.			trans	-65.9	133.6	-179.2	175.1	-101.4	0	0	0	110.7	S50 L55 Y116 Q134 G135 G140 E141 M145	S50-F143 WeakPolarHBondContact OG-CE2 3.38Å; L55-F143 HydrophobicContact CD2-CE2 3.53Å; L55-F143 HydrophobicContact CD2-CZ 3.56Å; Y116-F143 HydrophobicContact CD1-CB 4.44Å; Y116-F143 AromaticContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CE1 4.29Å; Y116-F143 HydrophobicContact CD1-CG 4.36Å; Y116-F143 HydrophobicContact CE1-CB 3.83Å; Y116-F143 AromaticContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CE1 4.35Å; Y116-F143 AromaticContact CE1-CG 3.87Å; Y116-F143 HydrophobicContact CE1-CG 3.87Å; Q134-F143 CarbonylContact C-O 3.47Å; Q134-F143 WeakPolarHBondContact CA-O 3.41Å; G135-F143 PolarHBondContact N-O 2.88Å; G140-F143 WeakPolarHBondContact O-CB 3.45Å; G140-F143 PolarHBondContact O-N 3.17Å; E141-F143 PolarHBondContact O-N 2.8Å; F143-M145 HydrophobicContact CE1-CB 3.71Å; F143-M145 HydrophobicContact CE2-CB 4.4Å; F143-M145 HydrophobicContact CZ-CB 3.51Å; F143-M145 HydrophobicContact CZ-CG 4.29Å; F143-M145 HydrophobicContact CZ-SD 4.03Å
144	R	96.5	Very high	95.3	Very high	89 Å²	89	53.1 Å²	53.1	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.4	172.3	-60.4	-177.5	-60.8	169.2	2.9	110.5	S50 N51 Y132 S133 Q134 D142 F172	S50-R144 VanDerWaalsContact CA-O 3.26Å; S50-R144 WeakPolarHBondContact CA-O 3.37Å; S50-R144 WeakPolarHBondContact CB-O 3.37Å; S50-R144 PolarHBondContact OG-O 3.48Å; N51-R144 PolarHBondContact N-O 2.88Å; N51-R144 PolarHBondContact OD1-N 2.94Å; N51-R144 PolarHBondContact OD1-O 2.88Å; Y132-R144 WeakPolarHBondContact OH-CD 3.4Å; S133-R144 CarbonylContact O-C 3.58Å; S133-R144 WeakPolarHBondContact O-CA 3.49Å; Q134-R144 HydrophobicContact CB-CG 4.27Å; D142-R144 PolarHBondContact O-N 3.21Å; R144-F172 HydrophobicContact CB-CE1 4.29Å; R144-F172 HydrophobicContact CB-CZ 3.97Å
145	M	97	Very high	95.3	Very high	31 Å²	31	52.4 Å²	52.4	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	132.3	179	-178.3	-179	71.6	0	0	112	L48 A49 L55 Y132 S133 F143	L48-M145 HydrophobicContact CD1-CG 4.31Å; L48-M145 HydrophobicContact CD1-SD 3.73Å; L48-M145 HydrophobicContact CG-CG 4.23Å; L48-M145 HydrophobicContact CG-SD 4.3Å; A49-M145 CarbonylContact O-C 3.53Å; A49-M145 WeakPolarHBondContact O-CA 3.43Å; A49-M145 WeakPolarHBondContact O-CG 3.25Å; L55-M145 HydrophobicContact CD2-SD 3.71Å; Y132-M145 CarbonylContact C-O 3.49Å; Y132-M145 WeakPolarHBondContact CA-O 3.13Å; S133-M145 PolarHBondContact N-O 2.91Å; S133-M145 PolarHBondContact O-N 3.22Å; F143-M145 HydrophobicContact CE1-CB 3.71Å; F143-M145 HydrophobicContact CE2-CB 4.4Å; F143-M145 HydrophobicContact CZ-CB 3.51Å; F143-M145 HydrophobicContact CZ-CG 4.29Å; F143-M145 HydrophobicContact CZ-SD 4.03Å
146	A	97.9	Very high	95.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.9	164.5	0	0	0	0	0	109.6	L48 A49 L131 F163 F166 F172	L48-A146 CarbonylContact C-O 3.57Å; L48-A146 WeakPolarHBondContact CA-O 3.29Å; A49-A146 HydrophobicContact CB-CB 4.28Å; A49-A146 PolarHBondContact N-O 2.7Å; A49-A146 PolarHBondContact O-N 2.88Å; L131-A146 CarbonylContact O-C 3.4Å; L131-A146 WeakPolarHBondContact O-CA 3.01Å; A146-F163 HydrophobicContact CB-CE2 3.96Å; A146-F163 HydrophobicContact CB-CZ 4.4Å; A146-F166 HydrophobicContact CB-CD1 4.16Å; A146-F166 HydrophobicContact CB-CE1 3.67Å; A146-F172 HydrophobicContact CB-CD2 4.3Å; A146-F172 HydrophobicContact CB-CE2 3.81Å
147	T	98	Very high	95.7	Very high	15 Å²	15	60.1 Å²	60.1	9%	0.092	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.6	178.2	-60.6	0	0	0	0	110.5	G47 L131 Y149	G47-T147 WeakPolarHBondContact O-CA 3.39Å; L131-T147 PolarHBondContact N-O 3.08Å; L131-T147 PolarHBondContact O-N 2.78Å; T147-Y149 HydrophobicContact CG2-CD2 4.45Å; T147-Y149 HydrophobicContact CG2-CE2 4.41Å
148	L	98.4	Very high	95.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.4	166.4	173.6	65.2	0	0	0	109.1	A46 G47 L130 P155 F163 F179	A46-L148 HydrophobicContact CB-CD2 4.11Å; A46-L148 HydrophobicContact CB-CG 4.28Å; A46-L148 PolarHBondContact N-O 2.99Å; G47-L148 PolarHBondContact N-O 3.28Å; G47-L148 PolarHBondContact O-N 3.19Å; L130-L148 HydrophobicContact CD2-CD1 3.83Å; L148-P155 HydrophobicContact CD2-CG 4.42Å; L148-F163 HydrophobicContact CB-CB 4.1Å; L148-F163 HydrophobicContact CB-CD1 4.1Å; L148-F163 HydrophobicContact CB-CD2 3.62Å; L148-F163 HydrophobicContact CB-CE1 4.43Å; L148-F163 HydrophobicContact CB-CE2 3.98Å; L148-F163 HydrophobicContact CB-CG 3.67Å; L148-F163 HydrophobicContact CB-CZ 4.37Å; L148-F163 HydrophobicContact CD1-CB 4.37Å; L148-F163 HydrophobicContact CD2-CB 3.94Å; L148-F163 HydrophobicContact CD2-CG 4.25Å; L148-F163 HydrophobicContact CG-CB 4.36Å; L148-F163 HydrophobicContact CG-CG 4.44Å; L148-F179 HydrophobicContact CD2-CE1 4.47Å
149	Y	98.6	Very high	96.1	Very high	11 Å²	11	58.2 Å²	58.2	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.1	161.5	-86.3	-52.2	0	0	0	110.4	W43 F44 S45 S67 L79 Y128 A129 L131 T147	W43-Y149 HydrophobicContact CB-CD1 3.58Å; W43-Y149 HydrophobicContact CB-CE1 4.07Å; W43-Y149 HydrophobicContact CB-CG 3.99Å; W43-Y149 HydrophobicContact CG-CD1 4.41Å; W43-Y149 HydrophobicContact CG-CG 4.36Å; F44-Y149 WeakPolarHBondContact O-CA 3.48Å; F44-Y149 WeakPolarHBondContact O-CD1 3.41Å; S45-Y149 WeakPolarHBondContact OG-CE1 3.26Å; S67-Y149 WeakPolarHBondContact OG-CE1 3.4Å; S67-Y149 PolarHBondContact OG-OH 3.11Å; L79-Y149 WeakPolarHBondContact CD1-OH 3.5Å; Y128-Y149 CarbonylContact C-O 3.59Å; Y128-Y149 WeakPolarHBondContact CA-O 3.34Å; Y128-Y149 WeakPolarHBondContact CB-O 3.43Å; A129-Y149 PolarHBondContact N-O 3.32Å; A129-Y149 PolarHBondContact O-N 3.41Å; L131-Y149 HydrophobicContact CD1-CD2 3.75Å; L131-Y149 HydrophobicContact CD2-CD2 3.97Å; L131-Y149 HydrophobicContact CD2-CE2 3.91Å; L131-Y149 HydrophobicContact CG-CD2 4.49Å; T147-Y149 HydrophobicContact CG2-CD2 4.45Å; T147-Y149 HydrophobicContact CG2-CE2 4.41Å
150	S	98.5	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.1	175.6	173.8	0	0	0	0	110.1	W43 F44 Q127 T152	W43-S150 CarbonylContact C-O 3.54Å; F44-S150 WeakPolarHBondContact CB-O 3.48Å; F44-S150 WeakPolarHBondContact CD2-O 3.42Å; F44-S150 PolarHBondContact N-O 3Å; F44-S150 PolarHBondContact O-N 2.65Å; Q127-S150 CarbonylContact O-C 3.52Å; Q127-S150 WeakPolarHBondContact O-CA 3.27Å; S150-T152 WeakPolarHBondContact CB-O 3.48Å; S150-T152 PolarHBondContact O-N 3.25Å; S150-T152 PolarHBondContact OG-N 2.82Å; S150-T152 VanDerWaalsContact OG-N 3.12Å; S150-T152 PolarHBondContact OG-O 2.85Å; S150-T152 PolarHBondContact OG-OG1 2.8Å
151	R	98	Very high	96.8	Very high	57 Å²	57	62.3 Å²	62.3	22%	0.215	31%	0.306	C	S	.	.	S	Bend	trans	-73.8	-13.6	171.4	-69.6	-57.9	-166.5	171.1	2.7	112.7	K38 L40 R42 W43 F44 Y125 D126 Q127	K38-R151 PolarHBondContact O-NH2 3.12Å; K38-R151 VanDerWaalsContact O-NH2 3.12Å; L40-R151 PolarHBondContact O-NH1 2.94Å; L40-R151 PolarHBondContact O-NH2 3.25Å; R42-R151 VanDerWaalsContact O-CD 3.22Å; R42-R151 WeakPolarHBondContact O-CD 3.16Å; R42-R151 PolarHBondContact O-NH1 3.22Å; W43-R151 HydrophobicContact CE3-CG 4.01Å; W43-R151 HydrophobicContact CH2-CG 4.04Å; W43-R151 VanDerWaalsContact CZ2-NE 3.26Å; W43-R151 HydrophobicContact CZ3-CG 3.66Å; F44-R151 WeakPolarHBondContact CD2-O 3.5Å; F44-R151 VanDerWaalsContact CE2-O 3.25Å; F44-R151 WeakPolarHBondContact CE2-O 3.13Å; Y125-R151 VanDerWaalsContact O-CZ 3.31Å; Y125-R151 PolarHBondContact O-NE 2.72Å; Y125-R151 PolarHBondContact O-NH2 3.18Å; D126-R151 VanDerWaalsContact C-CG 3.45Å; D126-R151 WeakPolarHBondContact O-CB 3.28Å; D126-R151 WeakPolarHBondContact O-CG 3.13Å; Q127-R151 PolarHBondContact O-N 2.89Å
152	T	96.6	Very high	97.1	Very high	72 Å²	72	60.2 Å²	60.2	44%	0.442	30%	0.295	S	S	.	.	S	Bend	trans	-116.6	150.1	172.3	67.5	0	0	0	0	111.4	S150 T154	S150-T152 WeakPolarHBondContact CB-O 3.48Å; S150-T152 PolarHBondContact O-N 3.25Å; S150-T152 PolarHBondContact OG-N 2.82Å; S150-T152 VanDerWaalsContact OG-N 3.12Å; S150-T152 PolarHBondContact OG-O 2.85Å; S150-T152 PolarHBondContact OG-OG1 2.8Å; T152-T154 PolarHBondContact O-N 2.97Å; T152-T154 PolarHBondContact OG1-O 3.15Å
153	Q	94.8	Very high	97.3	Very high	42 Å²	42	53.6 Å²	53.6	20%	0.196	26%	0.26	C	S	.	.	S	Bend	trans	-63	-32.5	175	-74.2	-177.2	87.9	0	0	112.3	F44 P155 Q182 T183 D184 M187	F44-Q153 HydrophobicContact CD1-CB 4.41Å; F44-Q153 HydrophobicContact CD1-CG 3.29Å; F44-Q153 HydrophobicContact CD2-CG 4.1Å; F44-Q153 HydrophobicContact CE1-CG 3.32Å; F44-Q153 HydrophobicContact CE2-CG 4.09Å; F44-Q153 HydrophobicContact CG-CB 4.43Å; F44-Q153 HydrophobicContact CG-CG 3.7Å; F44-Q153 HydrophobicContact CZ-CG 3.72Å; Q153-P155 WeakPolarHBondContact O-CD 3.41Å; Q153-Q182 HydrophobicContact CB-CB 4.4Å; Q153-Q182 HydrophobicContact CB-CG 4.33Å; Q153-Q182 WeakPolarHBondContact O-CG 3.26Å; Q153-T183 PolarHBondContact OE1-O 2.94Å; Q153-D184 PolarHBondContact NE2-OD1 3.26Å; Q153-D184 PolarHBondContact OE1-OD1 2.8Å; Q153-M187 HydrophobicContact CG-CE 4.47Å
154	T	94.8	Very high	97.5	Very high	116 Å²	116	53.4 Å²	53.4	71%	0.712	26%	0.262	S	S	*	.	S	Bend	trans	-110.5	81.9	-180	46.3	0	0	0	0	109.7	T152	T152-T154 PolarHBondContact O-N 2.97Å; T152-T154 PolarHBondContact OG1-O 3.15Å
155	P	96.3	Very high	97.6	Very high	12 Å²	12	52 Å²	52	8%	0.078	27%	0.27	C	S	.	.			trans	-61.3	145.2	174.5	26	-34.3	0	0	0	110.3	A46 L148 Q153 L159 K160	A46-P155 HydrophobicContact CB-CG 3.67Å; L148-P155 HydrophobicContact CD2-CG 4.42Å; Q153-P155 WeakPolarHBondContact O-CD 3.41Å; P155-L159 HydrophobicContact CB-CB 4.04Å; P155-L159 HydrophobicContact CB-CD1 3.92Å; P155-K160 HydrophobicContact CG-CG 4.28Å
156	R	97.3	Very high	97.6	Very high	156 Å²	156	51.7 Å²	51.7	59%	0.589	27%	0.268	S	S	*	.			trans	-62.2	161.2	176.7	-49.4	-176	-176.2	127.5	3.2	111.1	E158 L159 K160	R156-E158 WeakPolarHBondContact CB-OE2 3.26Å; R156-E158 PolarHBondContact O-N 2.91Å; R156-L159 PolarHBondContact O-N 3.43Å; R156-L159 VanDerWaalsContact O-N 3.14Å; R156-K160 PolarHBondContact O-N 3.14Å
157	A	97.6	Very high	97.6	Very high	57 Å²	57	51.7 Å²	51.7	47%	0.471	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-38.5	-177	0	0	0	0	0	112	L159 K160 E161	A157-L159 VanDerWaalsContact C-N 3.28Å; A157-L159 PolarHBondContact O-N 3.49Å; A157-K160 WeakPolarHBondContact O-CB 3.41Å; A157-K160 PolarHBondContact O-N 2.83Å; A157-E161 WeakPolarHBondContact O-CG 3.28Å; A157-E161 PolarHBondContact O-N 2.84Å
158	E	97.9	Very high	97.6	Very high	121 Å²	121	55.8 Å²	55.8	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-35.9	-179.3	-54	78.9	-172.6	0	0	111.7	R156 K162	R156-E158 WeakPolarHBondContact CB-OE2 3.26Å; R156-E158 PolarHBondContact O-N 2.91Å; E158-K162 VanDerWaalsContact O-CB 3.3Å; E158-K162 WeakPolarHBondContact O-CB 3.41Å; E158-K162 PolarHBondContact O-N 3.39Å
159	L	98	Very high	97.5	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-71.3	-35	176.3	-63.9	-178.4	0	0	0	111.9	Y128 P155 R156 A157 F163	Y128-L159 HydrophobicContact CD1-CD2 3.52Å; Y128-L159 HydrophobicContact CE1-CD2 4.18Å; Y128-L159 HydrophobicContact CG-CD2 3.75Å; P155-L159 HydrophobicContact CB-CB 4.04Å; P155-L159 HydrophobicContact CB-CD1 3.92Å; R156-L159 PolarHBondContact O-N 3.43Å; R156-L159 VanDerWaalsContact O-N 3.14Å; A157-L159 VanDerWaalsContact C-N 3.28Å; A157-L159 PolarHBondContact O-N 3.49Å; L159-F163 PolarHBondContact O-N 2.68Å
160	K	98	Very high	97.3	Very high	82 Å²	82	61.4 Å²	61.4	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-39.5	175.3	-65.3	-174.1	-179.2	179.4	0	111.7	P155 R156 A157 F163 T164 F179	P155-K160 HydrophobicContact CG-CG 4.28Å; R156-K160 PolarHBondContact O-N 3.14Å; A157-K160 WeakPolarHBondContact O-CB 3.41Å; A157-K160 PolarHBondContact O-N 2.83Å; K160-F163 PolarHBondContact O-N 3.02Å; K160-T164 WeakPolarHBondContact O-CB 3.3Å; K160-T164 PolarHBondContact O-N 3.34Å; K160-T164 PolarHBondContact O-OG1 2.91Å; K160-F179 HydrophobicContact CB-CE1 3.66Å; K160-F179 HydrophobicContact CB-CE2 4.47Å; K160-F179 HydrophobicContact CB-CZ 3.57Å; K160-F179 HydrophobicContact CD-CD1 4.19Å; K160-F179 HydrophobicContact CD-CE1 3.99Å; K160-F179 HydrophobicContact CD-CZ 4.21Å; K160-F179 HydrophobicContact CG-CD1 4.12Å; K160-F179 HydrophobicContact CG-CE1 3.55Å; K160-F179 HydrophobicContact CG-CZ 3.95Å
161	E	98.2	Very high	97.2	Very high	133 Å²	133	64 Å²	64	62%	0.621	35%	0.351	S	S	*	.	H	α-helix	trans	-64.8	-46	173.8	-72.9	173.4	-172.1	0	0	111	A157 F163 T164 A165	A157-E161 WeakPolarHBondContact O-CG 3.28Å; A157-E161 PolarHBondContact O-N 2.84Å; E161-F163 VanDerWaalsContact C-N 3.33Å; E161-F163 PolarHBondContact O-N 3.23Å; E161-T164 PolarHBondContact O-N 3.3Å; E161-T164 VanDerWaalsContact O-N 3.16Å; E161-A165 WeakPolarHBondContact O-CB 3.31Å; E161-A165 PolarHBondContact O-N 3.19Å
162	K	98.3	Very high	97.2	Very high	72 Å²	72	61.8 Å²	61.8	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-54.9	-47.6	173.3	179.5	-175	-77.9	-78.7	0	111.6	E122 Y128 L130 E158 A165 F166	E122-K162 IonicContact OE1-NZ 2.74Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; E122-K162 IonicContact OE2-NZ 3.94Å; Y128-K162 HydrophobicContact CD2-CD 4.07Å; Y128-K162 HydrophobicContact CE1-CD 4.37Å; Y128-K162 HydrophobicContact CE2-CD 3.4Å; Y128-K162 WeakPolarHBondContact OH-CE 3.44Å; Y128-K162 PolarHBondContact OH-NZ 3.48Å; L130-K162 HydrophobicContact CD1-CD 4.34Å; L130-K162 HydrophobicContact CD1-CG 4.18Å; E158-K162 VanDerWaalsContact O-CB 3.3Å; E158-K162 WeakPolarHBondContact O-CB 3.41Å; E158-K162 PolarHBondContact O-N 3.39Å; K162-A165 PolarHBondContact O-N 3.3Å; K162-F166 WeakPolarHBondContact O-CB 3.26Å; K162-F166 PolarHBondContact O-N 3.29Å
163	F	98.4	Very high	97.1	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-44	176.7	177.3	-119.1	0	0	0	112.4	A49 L130 A146 L148 L159 K160 E161 A165 F166 C167 I177 F179	A49-F163 HydrophobicContact CB-CZ 4.45Å; L130-F163 HydrophobicContact CD2-CB 4.28Å; L130-F163 HydrophobicContact CD2-CD2 3.97Å; A146-F163 HydrophobicContact CB-CE2 3.96Å; A146-F163 HydrophobicContact CB-CZ 4.4Å; L148-F163 HydrophobicContact CB-CB 4.1Å; L148-F163 HydrophobicContact CB-CD1 4.1Å; L148-F163 HydrophobicContact CB-CD2 3.62Å; L148-F163 HydrophobicContact CB-CE1 4.43Å; L148-F163 HydrophobicContact CB-CE2 3.98Å; L148-F163 HydrophobicContact CB-CG 3.67Å; L148-F163 HydrophobicContact CB-CZ 4.37Å; L148-F163 HydrophobicContact CD1-CB 4.37Å; L148-F163 HydrophobicContact CD2-CB 3.94Å; L148-F163 HydrophobicContact CD2-CG 4.25Å; L148-F163 HydrophobicContact CG-CB 4.36Å; L148-F163 HydrophobicContact CG-CG 4.44Å; L159-F163 PolarHBondContact O-N 2.68Å; K160-F163 PolarHBondContact O-N 3.02Å; E161-F163 VanDerWaalsContact C-N 3.33Å; E161-F163 PolarHBondContact O-N 3.23Å; F163-A165 PolarHBondContact O-N 2.53Å; F163-F166 HydrophobicContact CD2-CD1 4.47Å; F163-F166 PolarHBondContact O-N 3.24Å; F163-C167 WeakPolarHBondContact CE2-SG 3.28Å; F163-C167 WeakPolarHBondContact CZ-SG 3.08Å; F163-C167 WeakPolarHBondContact O-CB 3.36Å; F163-C167 PolarHBondContact O-N 3.03Å; F163-C167 PolarHBondContact O-SG 2.89Å; F163-I177 HydrophobicContact CD1-CG2 4.21Å; F163-I177 HydrophobicContact CE1-CG2 3.87Å; F163-F179 AromaticContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CZ 4.27Å
164	T	98.2	Very high	97	Very high	37 Å²	37	66.5 Å²	66.5	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-45.2	177.6	-57.7	0	0	0	0	111.4	K160 E161 C167 K168 I177	K160-T164 WeakPolarHBondContact O-CB 3.3Å; K160-T164 PolarHBondContact O-N 3.34Å; K160-T164 PolarHBondContact O-OG1 2.91Å; E161-T164 PolarHBondContact O-N 3.3Å; E161-T164 VanDerWaalsContact O-N 3.16Å; T164-C167 PolarHBondContact O-N 3.44Å; T164-K168 HydrophobicContact CG2-CD 4.36Å; T164-K168 WeakPolarHBondContact O-CG 3.32Å; T164-K168 PolarHBondContact O-N 2.72Å; T164-I177 HydrophobicContact CG2-CD1 4.11Å
165	A	98.2	Very high	96.9	Very high	60 Å²	60	66.7 Å²	66.7	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-44.6	177	0	0	0	0	0	111.7	E161 K162 F163 K168 A169	E161-A165 WeakPolarHBondContact O-CB 3.31Å; E161-A165 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 3.3Å; F163-A165 PolarHBondContact O-N 2.53Å; A165-K168 PolarHBondContact O-N 3.12Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.71Å
166	F	97.8	Very high	96.9	Very high	24 Å²	24	66.7 Å²	66.7	11%	0.105	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-48.1	173.7	170.5	-112.6	0	0	0	112	V28 V121 L130 Y132 A146 K162 F163 K168 A169 Q170	V28-F166 HydrophobicContact CG2-CE2 4.44Å; V28-F166 HydrophobicContact CG2-CZ 4.49Å; V121-F166 HydrophobicContact CB-CE2 4.4Å; V121-F166 HydrophobicContact CB-CZ 4.38Å; V121-F166 HydrophobicContact CG1-CE2 3.81Å; V121-F166 HydrophobicContact CG1-CZ 4.27Å; V121-F166 HydrophobicContact CG2-CE2 4.34Å; V121-F166 HydrophobicContact CG2-CZ 3.98Å; L130-F166 HydrophobicContact CB-CD1 4.4Å; L130-F166 HydrophobicContact CB-CE1 4.49Å; L130-F166 HydrophobicContact CD1-CB 3.86Å; L130-F166 HydrophobicContact CD1-CD1 4.24Å; L130-F166 HydrophobicContact CD1-CD2 4.41Å; L130-F166 HydrophobicContact CD1-CG 3.91Å; Y132-F166 HydrophobicContact CD2-CZ 4.06Å; A146-F166 HydrophobicContact CB-CD1 4.16Å; A146-F166 HydrophobicContact CB-CE1 3.67Å; K162-F166 WeakPolarHBondContact O-CB 3.26Å; K162-F166 PolarHBondContact O-N 3.29Å; F163-F166 HydrophobicContact CD2-CD1 4.47Å; F163-F166 PolarHBondContact O-N 3.24Å; F166-K168 PolarHBondContact O-N 2.99Å; F166-A169 PolarHBondContact O-N 2.9Å; F166-Q170 HydrophobicContact CD2-CG 4.17Å; F166-Q170 HydrophobicContact CE1-CG 4.41Å; F166-Q170 HydrophobicContact CE2-CG 3.65Å; F166-Q170 HydrophobicContact CZ-CG 3.78Å; F166-Q170 WeakPolarHBondContact O-CG 3.34Å; F166-Q170 PolarHBondContact O-N 3.32Å; F166-Q170 VanDerWaalsContact O-N 3.07Å
167	C	97.5	Very high	96.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-45.4	179.2	-68.4	0	0	0	0	112.1	A49 F163 T164 A169 Q170 G171 F172 I177	A49-C167 HydrophobicContact CB-CB 4.23Å; F163-C167 WeakPolarHBondContact CE2-SG 3.28Å; F163-C167 WeakPolarHBondContact CZ-SG 3.08Å; F163-C167 WeakPolarHBondContact O-CB 3.36Å; F163-C167 PolarHBondContact O-N 3.03Å; F163-C167 PolarHBondContact O-SG 2.89Å; T164-C167 PolarHBondContact O-N 3.44Å; C167-A169 VanDerWaalsContact C-N 3.34Å; C167-A169 PolarHBondContact O-N 2.92Å; C167-Q170 CarbonylContact O-C 3.51Å; C167-Q170 PolarHBondContact O-N 3.2Å; C167-Q170 VanDerWaalsContact O-N 3.11Å; C167-G171 PolarHBondContact O-N 3.34Å; C167-F172 HydrophobicContact CB-CB 4.09Å; C167-F172 HydrophobicContact CB-CD2 4.19Å; C167-F172 WeakPolarHBondContact O-CB 3.09Å; C167-F172 WeakPolarHBondContact O-CD2 3.47Å; C167-F172 PolarHBondContact O-N 3.15Å; C167-I177 HydrophobicContact CB-CD1 3.46Å; C167-I177 VanDerWaalsContact CB-CD1 3.46Å; C167-I177 HydrophobicContact CB-CG1 3.72Å
168	K	97.3	Very high	96.7	Very high	101 Å²	101	59.5 Å²	59.5	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-41.7	176.6	-73.8	-179.5	175.2	-173.8	0	111.9	T164 A165 F166 Q170 G171 E174 I177	T164-K168 HydrophobicContact CG2-CD 4.36Å; T164-K168 WeakPolarHBondContact O-CG 3.32Å; T164-K168 PolarHBondContact O-N 2.72Å; A165-K168 PolarHBondContact O-N 3.12Å; F166-K168 PolarHBondContact O-N 2.99Å; K168-Q170 PolarHBondContact O-N 3.21Å; K168-G171 PolarHBondContact O-N 3.42Å; K168-E174 VanDerWaalsContact CE-OE1 3.26Å; K168-E174 WeakPolarHBondContact CE-OE1 3.39Å; K168-E174 IonicContact NZ-OE1 2.68Å; K168-E174 PolarHBondContact NZ-OE1 3.2Å; K168-I177 HydrophobicContact CG-CD1 4.44Å
169	A	96.8	Very high	96.5	Very high	81 Å²	81	57.8 Å²	57.8	67%	0.669	32%	0.319	S	S	*	.	H	α-helix	trans	-63.3	-28.7	175.8	0	0	0	0	0	112.8	A165 F166 C167 G171	A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.71Å; F166-A169 PolarHBondContact O-N 2.9Å; C167-A169 VanDerWaalsContact C-N 3.34Å; C167-A169 PolarHBondContact O-N 2.92Å; A169-G171 VanDerWaalsContact C-N 3.28Å
170	Q	95.9	Very high	96.3	Very high	48 Å²	48	57.5 Å²	57.5	22%	0.224	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5.4	173.8	-62.2	-57	-45.8	0	0	113.7	Y132 F166 C167 K168 F172	Y132-Q170 HydrophobicContact CD2-CG 4.24Å; Y132-Q170 HydrophobicContact CE2-CB 4.07Å; Y132-Q170 HydrophobicContact CE2-CG 4.01Å; F166-Q170 HydrophobicContact CD2-CG 4.17Å; F166-Q170 HydrophobicContact CE1-CG 4.41Å; F166-Q170 HydrophobicContact CE2-CG 3.65Å; F166-Q170 HydrophobicContact CZ-CG 3.78Å; F166-Q170 WeakPolarHBondContact O-CG 3.34Å; F166-Q170 PolarHBondContact O-N 3.32Å; F166-Q170 VanDerWaalsContact O-N 3.07Å; C167-Q170 CarbonylContact O-C 3.51Å; C167-Q170 PolarHBondContact O-N 3.2Å; C167-Q170 VanDerWaalsContact O-N 3.11Å; K168-Q170 PolarHBondContact O-N 3.21Å; Q170-F172 HydrophobicContact CB-CD2 3.93Å; Q170-F172 HydrophobicContact CB-CE2 3.99Å
171	G	95.8	Very high	96	Very high	54 Å²	54	56.3 Å²	56.3	56%	0.557	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	14.9	177.8	0	0	0	0	0	115	C167 K168 A169	C167-G171 PolarHBondContact O-N 3.34Å; K168-G171 PolarHBondContact O-N 3.42Å; A169-G171 VanDerWaalsContact C-N 3.28Å
172	F	96.5	Very high	95.6	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.044	30%	0.3	C	S	.	.			trans	-76.3	132.9	168.3	-65.3	-71.3	0	0	0	110.1	A49 Y132 R144 A146 C167 Q170 I177	A49-F172 HydrophobicContact CB-CB 4.13Å; A49-F172 HydrophobicContact CB-CD1 4.09Å; A49-F172 HydrophobicContact CB-CD2 4.02Å; A49-F172 HydrophobicContact CB-CE2 4.45Å; A49-F172 HydrophobicContact CB-CG 3.82Å; Y132-F172 AromaticContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CZ 4.27Å; R144-F172 HydrophobicContact CB-CE1 4.29Å; R144-F172 HydrophobicContact CB-CZ 3.97Å; A146-F172 HydrophobicContact CB-CD2 4.3Å; A146-F172 HydrophobicContact CB-CE2 3.81Å; C167-F172 HydrophobicContact CB-CB 4.09Å; C167-F172 HydrophobicContact CB-CD2 4.19Å; C167-F172 WeakPolarHBondContact O-CB 3.09Å; C167-F172 WeakPolarHBondContact O-CD2 3.47Å; C167-F172 PolarHBondContact O-N 3.15Å; Q170-F172 HydrophobicContact CB-CD2 3.93Å; Q170-F172 HydrophobicContact CB-CE2 3.99Å; F172-I177 HydrophobicContact CB-CG1 4.44Å
173	T	95.3	Very high	95.3	Very high	78 Å²	78	50 Å²	50	48%	0.479	29%	0.292	S	S	.	.			trans	-79.6	157.1	175.2	52.3	0	0	0	0	110.8	D175 T176	T173-D175 VanDerWaalsContact C-N 3.26Å; T173-D175 WeakPolarHBondContact CB-OD1 3.14Å; T173-D175 PolarHBondContact O-N 2.96Å; T173-D175 PolarHBondContact OG1-OD1 3.38Å; T173-T176 PolarHBondContact N-OG1 3.39Å; T173-T176 PolarHBondContact O-N 2.93Å; T173-T176 PolarHBondContact O-OG1 3.36Å; T173-T176 VanDerWaalsContact OG1-CG2 3.32Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.49Å
174	E	93.5	Very high	94.9	Very high	136 Å²	136	55.9 Å²	55.9	64%	0.636	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-56.7	-37.6	-175.1	-66.9	-173.5	167.6	0	0	113.5	K168 T176 I177	K168-E174 VanDerWaalsContact CE-OE1 3.26Å; K168-E174 WeakPolarHBondContact CE-OE1 3.39Å; K168-E174 IonicContact NZ-OE1 2.68Å; K168-E174 PolarHBondContact NZ-OE1 3.2Å; E174-T176 PolarHBondContact O-N 3.16Å; E174-I177 PolarHBondContact O-N 3.01Å
175	D	92.8	Very high	94.5	Very high	120 Å²	120	59.7 Å²	59.7	64%	0.642	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68.8	-14.5	177.9	67.9	-47.6	0	0	0	113.8	T173	T173-D175 VanDerWaalsContact C-N 3.26Å; T173-D175 WeakPolarHBondContact CB-OD1 3.14Å; T173-D175 PolarHBondContact O-N 2.96Å; T173-D175 PolarHBondContact OG1-OD1 3.38Å
176	T	95.1	Very high	94	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.074	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.7	-9.3	175.8	67.5	0	0	0	0	113.3	A49 R56 T173 E174	A49-T176 VanDerWaalsContact CA-O 3.28Å; A49-T176 WeakPolarHBondContact CA-O 3.43Å; R56-T176 VanDerWaalsContact CD-O 3.26Å; R56-T176 WeakPolarHBondContact CD-O 3.27Å; T173-T176 PolarHBondContact N-OG1 3.39Å; T173-T176 PolarHBondContact O-N 2.93Å; T173-T176 PolarHBondContact O-OG1 3.36Å; T173-T176 VanDerWaalsContact OG1-CG2 3.32Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.49Å; E174-T176 PolarHBondContact O-N 3.16Å
177	I	95.8	Very high	93.4	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.118	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.6	179.2	-55.7	169.7	0	0	0	108.7	A49 F163 T164 C167 K168 F172 E174	A49-I177 HydrophobicContact CB-CB 4.48Å; A49-I177 HydrophobicContact CB-CG1 3.97Å; F163-I177 HydrophobicContact CD1-CG2 4.21Å; F163-I177 HydrophobicContact CE1-CG2 3.87Å; T164-I177 HydrophobicContact CG2-CD1 4.11Å; C167-I177 HydrophobicContact CB-CD1 3.46Å; C167-I177 VanDerWaalsContact CB-CD1 3.46Å; C167-I177 HydrophobicContact CB-CG1 3.72Å; K168-I177 HydrophobicContact CG-CD1 4.44Å; F172-I177 HydrophobicContact CB-CG1 4.44Å; E174-I177 PolarHBondContact O-N 3.01Å
178	V	94.5	Very high	92.6	Very high	38 Å²	38	64.2 Å²	64.2	23%	0.23	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.5	-178.8	-61.5	0	0	0	0	111.3	G47 L48 L180	G47-V178 CarbonylContact C-O 3.58Å; G47-V178 WeakPolarHBondContact CA-O 3.48Å; L48-V178 HydrophobicContact CB-CG2 4.12Å; L48-V178 HydrophobicContact CD2-CG2 4.07Å; L48-V178 PolarHBondContact N-O 2.91Å; L48-V178 VanDerWaalsContact O-CG2 3.3Å; L48-V178 WeakPolarHBondContact O-CG2 3.14Å; L48-V178 PolarHBondContact O-N 2.96Å; V178-L180 HydrophobicContact CG2-CD2 4.11Å
179	F	94	Very high	90.8	Very high	85 Å²	85	67.5 Å²	67.5	37%	0.373	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	167	-66.4	-74.8	0	0	0	109	A46 L148 K160 F163	A46-F179 WeakPolarHBondContact O-CA 3.22Å; L148-F179 HydrophobicContact CD2-CE1 4.47Å; K160-F179 HydrophobicContact CB-CE1 3.66Å; K160-F179 HydrophobicContact CB-CE2 4.47Å; K160-F179 HydrophobicContact CB-CZ 3.57Å; K160-F179 HydrophobicContact CD-CD1 4.19Å; K160-F179 HydrophobicContact CD-CE1 3.99Å; K160-F179 HydrophobicContact CD-CZ 4.21Å; K160-F179 HydrophobicContact CG-CD1 4.12Å; K160-F179 HydrophobicContact CG-CE1 3.55Å; K160-F179 HydrophobicContact CG-CZ 3.95Å; F163-F179 AromaticContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CZ 4.27Å
180	L	93.4	Very high	88.1	Confident	13 Å²	13	76.2 Å²	76.2	7%	0.068	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-81.8	138.4	-168.9	-60.6	175.5	0	0	0	110.5	A46 L48 K59 M64 V178 Q182	A46-L180 PolarHBondContact O-N 2.83Å; L48-L180 HydrophobicContact CB-CD1 4.22Å; L48-L180 HydrophobicContact CB-CD2 4.33Å; L48-L180 HydrophobicContact CB-CG 4.38Å; K59-L180 HydrophobicContact CB-CD2 3.98Å; M64-L180 HydrophobicContact CG-CB 3.9Å; M64-L180 HydrophobicContact CG-CD1 3.79Å; M64-L180 HydrophobicContact CG-CG 4.45Å; M64-L180 HydrophobicContact SD-CD1 4.41Å; V178-L180 HydrophobicContact CG2-CD2 4.11Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-Q182 PolarHBondContact O-NE2 2.91Å
181	P	91.9	Very high	87.7	Confident	57 Å²	57	77.7 Å²	77.7	37%	0.37	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64.6	134.3	174.7	27.6	-32.3	0	0	0	109.6	L62 S63 M64	L62-P181 VanDerWaalsContact O-CG 3.29Å; L62-P181 WeakPolarHBondContact O-CG 3.35Å; S63-P181 CarbonylContact C-O 3.57Å; S63-P181 WeakPolarHBondContact CA-O 3.49Å; M64-P181 PolarHBondContact N-O 2.87Å
182	Q	91.7	Very high	87.3	Confident	51 Å²	51	78.9 Å²	78.9	24%	0.238	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-99.3	160.1	179.5	-54.2	-62.1	-61.3	0	0	110.4	S45 M64 Q153 L180	S45-Q182 PolarHBondContact O-NE2 2.81Å; M64-Q182 WeakPolarHBondContact O-CA 3.3Å; Q153-Q182 HydrophobicContact CB-CB 4.4Å; Q153-Q182 HydrophobicContact CB-CG 4.33Å; Q153-Q182 WeakPolarHBondContact O-CG 3.26Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-Q182 PolarHBondContact O-NE2 2.91Å
183	T	90.2	Very high	86.7	Confident	22 Å²	22	82.7 Å²	82.7	14%	0.135	42%	0.424	C	S	.	.			trans	-148	137.8	171.1	-174.1	0	0	0	0	111.5	M64 C65 L84 Q153 K185 M187	M64-T183 PolarHBondContact O-N 2.71Å; C65-T183 HydrophobicContact CB-CG2 4.47Å; C65-T183 WeakPolarHBondContact SG-CG2 3.27Å; L84-T183 HydrophobicContact CB-CG2 4.07Å; Q153-T183 PolarHBondContact OE1-O 2.94Å; T183-K185 HydrophobicContact CG2-CB 4.29Å; T183-K185 PolarHBondContact O-N 3.44Å; T183-K185 PolarHBondContact OG1-N 2.98Å; T183-M187 WeakPolarHBondContact O-CE 3.42Å
184	D	90.8	Very high	86.2	Confident	124 Å²	124	83 Å²	83	66%	0.663	42%	0.421	S	S	*	.	S	Bend	trans	-74.3	-5.4	173.1	-62	-44.6	0	0	0	113.4	Q153 M187	Q153-D184 PolarHBondContact NE2-OD1 3.26Å; Q153-D184 PolarHBondContact OE1-OD1 2.8Å; D184-M187 WeakPolarHBondContact O-CG 3.43Å
185	K	90	Very high	85.8	Confident	117 Å²	117	79.7 Å²	79.7	51%	0.509	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	155.9	173.6	-64.2	-179.2	-180	179.1	0	110.4	C65 L84 T183 M187	C65-K185 WeakPolarHBondContact CB-O 2.99Å; C65-K185 PolarHBondContact SG-O 2.7Å; L84-K185 HydrophobicContact CD1-CD 4.44Å; L84-K185 HydrophobicContact CD2-CD 4.01Å; T183-K185 HydrophobicContact CG2-CB 4.29Å; T183-K185 PolarHBondContact O-N 3.44Å; T183-K185 PolarHBondContact OG1-N 2.98Å; K185-M187 VanDerWaalsContact C-N 3.28Å; K185-M187 PolarHBondContact O-N 3.25Å
186	C	87.7	Confident	85.3	Confident	21 Å²	21	77 Å²	77	14%	0.142	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.5	175.4	-37.2	0	0	0	0	115.3	C65 T82 C89	C65-C186 HydrophobicContact CB-CB 4.1Å; T82-C186 HydrophobicContact CG2-CB 3.69Å; C89-C186 VanDerWaalsContact CA-SG 3.52Å; C89-C186 HydrophobicContact CB-CB 3.68Å; C89-C186 WeakPolarHBondContact CB-SG 3.24Å; C89-C186 WeakPolarHBondContact SG-CB 3.47Å; C89-C186 CovalentContact SG-SG 2.02Å; C89-C186 PolarHBondContact SG-SG 3.18Å
187	M	83.9	Confident	84.6	Confident	38 Å²	38	81.6 Å²	81.6	19%	0.187	41%	0.414	C	S	.	.			trans	-85.7	-33	-176.8	-70.2	-67.7	174.5	0	0	113.9	F44 C65 K66 Q153 T183 D184 K185	F44-M187 HydrophobicContact CE1-CE 3.83Å; F44-M187 HydrophobicContact CE1-SD 3.98Å; C65-M187 VanDerWaalsContact C-CE 3.44Å; C65-M187 HydrophobicContact CB-CE 4.09Å; C65-M187 WeakPolarHBondContact O-CE 3.45Å; K66-M187 HydrophobicContact CB-SD 4.07Å; K66-M187 WeakPolarHBondContact CE-O 3.41Å; K66-M187 PolarHBondContact NZ-O 3.37Å; Q153-M187 HydrophobicContact CG-CE 4.47Å; T183-M187 WeakPolarHBondContact O-CE 3.42Å; D184-M187 WeakPolarHBondContact O-CG 3.43Å; K185-M187 VanDerWaalsContact C-N 3.28Å; K185-M187 PolarHBondContact O-N 3.25Å
188	T	81.3	Confident	83.8	Confident	120 Å²	120	86.2 Å²	86.2	74%	0.736	44%	0.437	S	S	*	.	S	Bend	trans	-82.7	144	175.6	51.6	0	0	0	0	110
189	E	60.7	Low	82.9	Confident	170 Å²	170	90.2 Å²	90.2	79%	0.794	45%	0.454	S	S	*	.			trans	-63.1	134.4	164.5	-70.3	171.3	175	0	0	107.8
190	Q	38.8	Very low	81.9	Confident	264 Å²	264	90.6 Å²	90.6	100%	1.234	46%	0.462	S	S	*	.			trans	-76.2	0	163.5	-80.6	-174.4	-34.8	0	0	108.9

Retrieved 190 of 190 residues in 53.3 ms (Link to these results)

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