A0A060WDQ4_ONCMY Loading...

PITH domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A060WDQ4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pithd1, Length 209 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	41.8	Very low	237 Å²	237	142.6 Å²	142.6	100%	1.167	87%	0.871	S	S	*	*				0	86.7	0	-60.2	-176.8	175	0	0	105.5
2	S	41.8	Very low	41.5	Very low	131 Å²	131	136.4 Å²	136.4	92%	0.916	86%	0.857	S	S	*	*				66.5	120.4	81.6	-59.6	0	0	0	0	113.6
3	G	36.7	Very low	41	Very low	68 Å²	68	135.5 Å²	135.5	70%	0.701	86%	0.855	S	S	*	*			trans	124.1	90.6	162	0	0	0	0	0	113
4	H	41.4	Very low	40.8	Very low	203 Å²	203	133.6 Å²	133.6	94%	0.94	85%	0.847	S	S	*	*				53.1	128.6	76.6	-81.4	83.2	0	0	0	115.4
5	G	34.2	Very low	41	Very low	77 Å²	77	136.7 Å²	136.7	79%	0.794	85%	0.847	S	S	*	*			trans	155.1	96.8	152.9	0	0	0	0	0	116.5
6	H	46.8	Very low	41.4	Very low	198 Å²	198	134.4 Å²	134.4	92%	0.917	83%	0.827	S	S	*	*			trans	-60.4	153.1	171.1	-80.5	-101.2	0	0	0	113.8
7	G	37.5	Very low	41.9	Very low	77 Å²	77	137 Å²	137	79%	0.794	83%	0.828	S	S	*	*			trans	-147	74.1	160.8	0	0	0	0	0	109.7
8	G	39	Very low	42.4	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-59.3	142.7	180	0	0	0	0	0	112.2	S10	G8-S10 PolarHBondContact O-N 3.45Å
9	H	42.7	Very low	43.3	Very low	194 Å²	194	133.6 Å²	133.6	90%	0.898	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.2	130.4	175.1	-74.8	-94.4	0	0	0	111.5	H11	H9-H11 PolarHBondContact O-N 3.26Å
10	S	48.5	Very low	44.2	Very low	118 Å²	118	131.4 Å²	131.4	83%	0.825	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-49.2	118.6	169.9	-175.8	0	0	0	0	111.9	G8	G8-S10 PolarHBondContact O-N 3.45Å
11	H	49.1	Very low	45.1	Very low	196 Å²	196	128.5 Å²	128.5	91%	0.907	77%	0.772	S	S	*	*			trans	-160.3	126.2	160.6	-132.6	-88.3	0	0	0	110.8	H9	H9-H11 PolarHBondContact O-N 3.26Å
12	G	38.6	Very low	46.4	Very low	68 Å²	68	121.8 Å²	121.8	70%	0.701	74%	0.738	S	S	*	*			trans	106.6	117.8	171.5	0	0	0	0	0	112.4
13	C	35.3	Very low	47.8	Very low	124 Å²	124	119.3 Å²	119.3	84%	0.838	71%	0.708	S	S	*	*			cis	-145.5	142.6	26.1	-72.8	0	0	0	0	111.4	E15	C13-E15 PolarHBondContact O-N 3.49Å
14	C	37	Very low	49.4	Very low	110 Å²	110	117 Å²	117	74%	0.743	68%	0.684	S	S	*	*			trans	-32.2	118.7	163.7	41	0	0	0	0	114.6	D16	C14-D16 PolarHBondContact O-N 3.02Å
15	E	44.1	Very low	50.9	Low	179 Å²	179	113.9 Å²	113.9	84%	0.836	67%	0.673	S	S	*	*			trans	-65.5	115.6	145.8	-84.6	162.8	86	0	0	106.6	C13 E17	C13-E15 PolarHBondContact O-N 3.49Å; E15-E17 PolarHBondContact O-N 3.09Å
16	D	46.9	Very low	53.1	Low	100 Å²	100	113.2 Å²	113.2	54%	0.535	65%	0.65	S	S	.	*			trans	-73.2	66	-177.4	-158	-102.2	0	0	0	109.4	C14 H18	C14-D16 PolarHBondContact O-N 3.02Å; D16-H18 PolarHBondContact O-N 2.97Å; D16-H18 IonicContact OD1-CD2 3.15Å; D16-H18 PolarHBondContact OD1-CD2 3.27Å; D16-H18 IonicContact OD1-CG 2.68Å; D16-H18 IonicContact OD1-NE2 2.66Å; D16-H18 PolarHBondContact OD1-NE2 2.97Å; D16-H18 IonicContact OD2-CD2 2.75Å; D16-H18 IonicContact OD2-NE2 3.89Å
17	E	49.8	Very low	54.7	Low	179 Å²	179	104.2 Å²	104.2	84%	0.836	61%	0.608	S	S	*	*			trans	-77.7	66.7	165.5	-63.9	-159.2	105.1	0	0	108.1	E15 E19	E15-E17 PolarHBondContact O-N 3.09Å; E17-E19 PolarHBondContact O-N 3.11Å
18	H	52.4	Low	57	Low	73 Å²	73	102 Å²	102	34%	0.338	58%	0.582	S	S	.	*			trans	-46.7	127.9	167.5	-93.1	-143.4	0	0	0	108.7	D16 R23 E26	D16-H18 PolarHBondContact O-N 2.97Å; D16-H18 IonicContact OD1-CD2 3.15Å; D16-H18 PolarHBondContact OD1-CD2 3.27Å; D16-H18 IonicContact OD1-CG 2.68Å; D16-H18 IonicContact OD1-NE2 2.66Å; D16-H18 PolarHBondContact OD1-NE2 2.97Å; D16-H18 IonicContact OD2-CD2 2.75Å; D16-H18 IonicContact OD2-NE2 3.89Å; H18-R23 HydrophobicContact CB-CG 4.05Å; H18-E26 IonicContact ND1-OE2 3.73Å
19	E	59.4	Low	59.4	Low	136 Å²	136	98.9 Å²	98.9	64%	0.636	55%	0.548	S	S	*	.			trans	-56.2	141.2	-176.9	-68.4	-160.5	91.2	0	0	109.2	E17 A21 E22 R23	E17-E19 PolarHBondContact O-N 3.11Å; E19-A21 PolarHBondContact O-N 2.8Å; E19-E22 HydrophobicContact CB-CG 4.34Å; E19-E22 PolarHBondContact N-OE2 2.76Å; E19-E22 WeakPolarHBondContact O-CB 3.28Å; E19-E22 PolarHBondContact O-N 2.87Å; E19-R23 PolarHBondContact O-N 2.98Å
20	P	61.5	Low	61.7	Low	90 Å²	90	92.3 Å²	92.3	58%	0.584	52%	0.516	S	S	*	.	H	α-helix	trans	-55.4	-29.3	-176.9	19.6	-31.6	0	0	0	112.6	G24	P20-G24 PolarHBondContact O-N 2.87Å
21	A	62.9	Low	63.7	Low	70 Å²	70	92.3 Å²	92.3	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-39.1	174.2	0	0	0	0	0	113.2	E19 G24 L25	E19-A21 PolarHBondContact O-N 2.8Å; A21-G24 PolarHBondContact O-N 3.14Å; A21-L25 WeakPolarHBondContact O-CG 3.37Å; A21-L25 PolarHBondContact O-N 3.22Å
22	E	69.5	Low	65.8	Low	97 Å²	97	88 Å²	88	45%	0.453	48%	0.479	S	S	.	.	H	α-helix	trans	-68.5	-44.7	178.5	-66.1	-175.7	114	0	0	110.7	E19 G24 L25 E26	E19-E22 HydrophobicContact CB-CG 4.34Å; E19-E22 PolarHBondContact N-OE2 2.76Å; E19-E22 WeakPolarHBondContact O-CB 3.28Å; E19-E22 PolarHBondContact O-N 2.87Å; E22-G24 VanDerWaalsContact C-N 3.31Å; E22-G24 PolarHBondContact O-N 2.68Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 PolarHBondContact O-N 2.88Å; E22-L25 VanDerWaalsContact O-N 3.15Å; E22-E26 PolarHBondContact O-N 2.72Å; E22-E26 VanDerWaalsContact O-N 3.17Å
23	R	70.2	Confident	68.5	Low	79 Å²	79	85.2 Å²	85.2	30%	0.298	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-39	174.5	-71	-164	178.8	-157.1	3.3	112.1	H18 E19 L25 E26 Y27 W56	H18-R23 HydrophobicContact CB-CG 4.05Å; E19-R23 PolarHBondContact O-N 2.98Å; R23-L25 VanDerWaalsContact C-N 3.25Å; R23-L25 PolarHBondContact O-N 2.93Å; R23-E26 WeakPolarHBondContact O-CB 3.46Å; R23-E26 PolarHBondContact O-N 2.86Å; R23-E26 VanDerWaalsContact O-N 3.1Å; R23-Y27 WeakPolarHBondContact O-CD2 3.48Å; R23-Y27 PolarHBondContact O-N 2.87Å; R23-W56 HydrophobicContact CB-CZ2 4.48Å
24	G	70.4	Confident	71.3	Confident	18 Å²	18	80.9 Å²	80.9	19%	0.186	42%	0.416	C	S	.	.	H	α-helix	trans	-57.1	-37.5	175.1	0	0	0	0	0	113.5	P20 A21 E22	P20-G24 PolarHBondContact O-N 2.87Å; A21-G24 PolarHBondContact O-N 3.14Å; E22-G24 VanDerWaalsContact C-N 3.31Å; E22-G24 PolarHBondContact O-N 2.68Å
25	L	73.6	Confident	73.9	Confident	138 Å²	138	78.7 Å²	78.7	72%	0.723	40%	0.396	S	S	*	.	H	α-helix	trans	-70.8	-36	175.6	-67.3	171.1	0	0	0	112.3	A21 E22 R23 Y27 A28	A21-L25 WeakPolarHBondContact O-CG 3.37Å; A21-L25 PolarHBondContact O-N 3.22Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 PolarHBondContact O-N 2.88Å; E22-L25 VanDerWaalsContact O-N 3.15Å; R23-L25 VanDerWaalsContact C-N 3.25Å; R23-L25 PolarHBondContact O-N 2.93Å; L25-Y27 VanDerWaalsContact C-N 3.32Å; L25-Y27 PolarHBondContact O-N 3.47Å; L25-A28 VanDerWaalsContact O-CB 3.24Å; L25-A28 WeakPolarHBondContact O-CB 3.2Å; L25-A28 PolarHBondContact O-N 3.43Å
26	E	80.1	Confident	76.2	Confident	64 Å²	64	78.4 Å²	78.4	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-36.9	178.2	-69.3	-173.3	94.4	0	0	112.5	H18 E22 R23 A28 R171	H18-E26 IonicContact ND1-OE2 3.73Å; E22-E26 PolarHBondContact O-N 2.72Å; E22-E26 VanDerWaalsContact O-N 3.17Å; R23-E26 WeakPolarHBondContact O-CB 3.46Å; R23-E26 PolarHBondContact O-N 2.86Å; R23-E26 VanDerWaalsContact O-N 3.1Å; E26-A28 VanDerWaalsContact C-N 3.34Å; E26-R171 HydrophobicContact CB-CG 3.99Å; E26-R171 WeakPolarHBondContact O-CA 3.11Å; E26-R171 WeakPolarHBondContact O-CG 3.5Å; E26-R171 IonicContact OE1-NH1 2.89Å
27	Y	81.1	Confident	78.4	Confident	9 Å²	9	80.3 Å²	80.3	4%	0.035	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	16.2	178.2	-62.6	-78.5	0	0	0	114.2	R23 L25 L29 Y30 W56 I90 E136 L170 R171	R23-Y27 WeakPolarHBondContact O-CD2 3.48Å; R23-Y27 PolarHBondContact O-N 2.87Å; L25-Y27 VanDerWaalsContact C-N 3.32Å; L25-Y27 PolarHBondContact O-N 3.47Å; Y27-L29 PolarHBondContact O-N 3.11Å; Y27-Y30 WeakPolarHBondContact O-CD1 3.41Å; Y27-W56 AromaticContact CD2-CD2 3.82Å; Y27-W56 HydrophobicContact CD2-CD2 3.82Å; Y27-W56 AromaticContact CD2-CE3 3.31Å; Y27-W56 HydrophobicContact CD2-CE3 3.31Å; Y27-W56 HydrophobicContact CD2-CG 4.4Å; Y27-W56 AromaticContact CD2-CZ3 3.74Å; Y27-W56 HydrophobicContact CD2-CZ3 3.74Å; Y27-W56 HydrophobicContact CE1-CZ3 4.49Å; Y27-W56 HydrophobicContact CE2-CD2 4.21Å; Y27-W56 AromaticContact CE2-CE3 3.62Å; Y27-W56 HydrophobicContact CE2-CE3 3.62Å; Y27-W56 HydrophobicContact CE2-CH2 4.01Å; Y27-W56 AromaticContact CE2-CZ3 3.53Å; Y27-W56 HydrophobicContact CE2-CZ3 3.53Å; Y27-W56 AromaticContact CG-CE3 3.88Å; Y27-W56 HydrophobicContact CG-CE3 3.88Å; Y27-W56 HydrophobicContact CG-CZ3 4.37Å; Y27-W56 AromaticContact CZ-CZ3 3.98Å; Y27-I90 HydrophobicContact CE1-CB 4.39Å; Y27-I90 HydrophobicContact CE1-CD1 3.69Å; Y27-I90 HydrophobicContact CE1-CG1 3.92Å; Y27-I90 HydrophobicContact CE2-CD1 4.18Å; Y27-I90 WeakPolarHBondContact OH-CD1 3.34Å; Y27-E136 PolarHBondContact OH-OE2 3.27Å; Y27-L170 WeakPolarHBondContact CA-O 3.36Å; Y27-R171 HydrophobicContact CD1-CB 3.83Å; Y27-R171 HydrophobicContact CE1-CB 3.58Å; Y27-R171 HydrophobicContact CE1-CG 4.31Å
28	A	85.3	Confident	80.6	Confident	29 Å²	29	71.9 Å²	71.9	24%	0.24	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-68.4	-1	-176.4	0	0	0	0	0	115	L25 E26 Y30 Q31	L25-A28 VanDerWaalsContact O-CB 3.24Å; L25-A28 WeakPolarHBondContact O-CB 3.2Å; L25-A28 PolarHBondContact O-N 3.43Å; E26-A28 VanDerWaalsContact C-N 3.34Å; A28-Y30 PolarHBondContact O-N 2.95Å; A28-Q31 WeakPolarHBondContact O-CB 3.36Å; A28-Q31 PolarHBondContact O-N 2.89Å; A28-Q31 VanDerWaalsContact O-N 3.13Å
29	L	89.5	Confident	82.6	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.026	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-62.1	-22.4	179.8	-69.3	-178.9	0	0	0	113.3	Y27 Q31 R32 V84 L86 L170	Y27-L29 PolarHBondContact O-N 3.11Å; L29-Q31 PolarHBondContact O-N 3.38Å; L29-R32 WeakPolarHBondContact O-CB 3.47Å; L29-R32 PolarHBondContact O-N 3.38Å; L29-V84 HydrophobicContact CD1-CG1 3.6Å; L29-V84 HydrophobicContact CD2-CG1 3.92Å; L29-V84 HydrophobicContact CD2-CG2 4.22Å; L29-V84 HydrophobicContact CG-CG1 4.41Å; L29-L86 HydrophobicContact CD1-CD1 4.17Å; L29-L170 HydrophobicContact CB-CB 3.95Å; L29-L170 WeakPolarHBondContact CB-O 3.24Å; L29-L170 HydrophobicContact CD1-CB 4.05Å
30	Y	89.8	Confident	84.4	Confident	57 Å²	57	66.4 Å²	66.4	22%	0.224	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-57.2	-30.9	175.2	79.2	-88.5	0	0	0	112.3	Y27 A28 R32 I33 P55	Y27-Y30 WeakPolarHBondContact O-CD1 3.41Å; A28-Y30 PolarHBondContact O-N 2.95Å; Y30-R32 PolarHBondContact O-N 3.15Å; Y30-I33 WeakPolarHBondContact O-CB 3.38Å; Y30-I33 PolarHBondContact O-N 3.4Å; Y30-P55 HydrophobicContact CE1-CB 4.19Å; Y30-P55 HydrophobicContact CE1-CG 4.47Å; Y30-P55 HydrophobicContact CE2-CG 4.02Å; Y30-P55 WeakPolarHBondContact OH-CG 3.21Å
31	Q	91.4	Very high	86	Confident	118 Å²	118	64.7 Å²	64.7	55%	0.551	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.5	177.1	-59.8	-179.3	9.4	0	0	113.4	A28 L29	A28-Q31 WeakPolarHBondContact O-CB 3.36Å; A28-Q31 PolarHBondContact O-N 2.89Å; A28-Q31 VanDerWaalsContact O-N 3.13Å; L29-Q31 PolarHBondContact O-N 3.38Å
32	R	93.4	Very high	87.6	Confident	105 Å²	105	63 Å²	63	40%	0.396	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-102.3	3.8	-178.2	-50.3	-57.7	-179.9	153.7	-0.1	112	L29 Y30 F80 T81 Y174	L29-R32 WeakPolarHBondContact O-CB 3.47Å; L29-R32 PolarHBondContact O-N 3.38Å; Y30-R32 PolarHBondContact O-N 3.15Å; R32-F80 CarbonylContact O-C 3.59Å; R32-F80 WeakPolarHBondContact O-CA 3.47Å; R32-T81 PolarHBondContact O-N 2.89Å; R32-T81 PolarHBondContact O-OG1 3.19Å; R32-Y174 HydrophobicContact CB-CD2 3.75Å; R32-Y174 HydrophobicContact CB-CE2 4.04Å; R32-Y174 HydrophobicContact CB-CG 4.39Å; R32-Y174 HydrophobicContact CG-CD1 4.46Å; R32-Y174 HydrophobicContact CG-CD2 3.72Å; R32-Y174 HydrophobicContact CG-CE2 4.23Å; R32-Y174 HydrophobicContact CG-CG 3.84Å
33	I	94	Very high	88.8	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.051	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-82.4	134.3	174	-59.9	174.4	0	0	0	108.5	Y30 I35 L38 F53 I78 F80 L170	Y30-I33 WeakPolarHBondContact O-CB 3.38Å; Y30-I33 PolarHBondContact O-N 3.4Å; I33-I35 VanDerWaalsContact C-N 3.35Å; I33-I35 HydrophobicContact CB-CD1 4Å; I33-I35 HydrophobicContact CG2-CD1 3.71Å; I33-I35 HydrophobicContact CG2-CG1 4.41Å; I33-I35 PolarHBondContact O-N 3.14Å; I33-I35 VanDerWaalsContact O-N 3.11Å; I33-L38 HydrophobicContact CG2-CD1 3.83Å; I33-F53 HydrophobicContact CD1-CB 4.3Å; I33-F53 HydrophobicContact CD1-CD1 3.58Å; I33-F53 HydrophobicContact CD1-CE1 4.14Å; I33-F53 HydrophobicContact CD1-CG 4.01Å; I33-I78 HydrophobicContact CB-CG2 4.33Å; I33-I78 HydrophobicContact CD1-CG2 3.79Å; I33-I78 HydrophobicContact CG1-CG2 3.78Å; I33-I78 HydrophobicContact CG2-CG2 3.64Å; I33-F80 HydrophobicContact CG1-CD1 4Å; I33-F80 HydrophobicContact CG1-CE1 3.76Å; I33-L170 HydrophobicContact CD1-CD1 4.11Å
34	D	93.9	Very high	90	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.171	29%	0.292	C	S	.	.			trans	-80.1	85.8	167.9	-175.3	-17.4	0	0	0	108.6	E36 K37 L38 P79 T81	D34-E36 PolarHBondContact O-N 3.13Å; D34-E36 PolarHBondContact OD1-N 3.42Å; D34-K37 HydrophobicContact CB-CB 4.45Å; D34-K37 CarbonylContact O-C 3.57Å; D34-K37 PolarHBondContact O-N 3.49Å; D34-K37 VanDerWaalsContact O-N 3.15Å; D34-K37 PolarHBondContact OD1-N 3.43Å; D34-K37 WeakPolarHBondContact OD2-CG 3.46Å; D34-K37 IonicContact OD2-NZ 2.68Å; D34-K37 PolarHBondContact OD2-NZ 3.2Å; D34-L38 PolarHBondContact O-N 3.48Å; D34-P79 HydrophobicContact CB-CB 4.39Å; D34-P79 HydrophobicContact CB-CG 4.12Å; D34-P79 PolarHBondContact N-O 3.28Å; D34-T81 HydrophobicContact CB-CG2 4.32Å
35	I	93.3	Very high	91.1	Very high	64 Å²	64	66.5 Å²	66.5	33%	0.328	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.6	-176.1	-57.5	-67.5	0	0	0	112	I33 K37 L38 K50 F53	I33-I35 VanDerWaalsContact C-N 3.35Å; I33-I35 HydrophobicContact CB-CD1 4Å; I33-I35 HydrophobicContact CG2-CD1 3.71Å; I33-I35 HydrophobicContact CG2-CG1 4.41Å; I33-I35 PolarHBondContact O-N 3.14Å; I33-I35 VanDerWaalsContact O-N 3.11Å; I35-K37 VanDerWaalsContact C-N 3.35Å; I35-L38 PolarHBondContact O-N 2.98Å; I35-K50 HydrophobicContact CG2-CB 4.07Å; I35-K50 HydrophobicContact CG2-CD 4.07Å; I35-K50 HydrophobicContact CG2-CG 4.27Å; I35-K50 WeakPolarHBondContact O-CD 3.48Å; I35-K50 WeakPolarHBondContact O-CE 3.49Å; I35-K50 PolarHBondContact O-NZ 2.95Å; I35-F53 HydrophobicContact CD1-CB 4.46Å
36	E	91.7	Very high	92	Very high	173 Å²	173	68.8 Å²	68.8	81%	0.808	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-43.1	176.8	-63.4	-168	110.2	0	0	110.6	D34 K50	D34-E36 PolarHBondContact O-N 3.13Å; D34-E36 PolarHBondContact OD1-N 3.42Å; E36-K50 PolarHBondContact O-NZ 2.9Å; E36-K50 VanDerWaalsContact O-NZ 3.14Å
37	K	93.4	Very high	92.6	Very high	140 Å²	140	66.8 Å²	66.8	61%	0.609	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-6.3	178.7	-61.4	-161.9	-168	87.4	0	114.8	D34 I35 Q39 P79	D34-K37 HydrophobicContact CB-CB 4.45Å; D34-K37 CarbonylContact O-C 3.57Å; D34-K37 PolarHBondContact O-N 3.49Å; D34-K37 VanDerWaalsContact O-N 3.15Å; D34-K37 PolarHBondContact OD1-N 3.43Å; D34-K37 WeakPolarHBondContact OD2-CG 3.46Å; D34-K37 IonicContact OD2-NZ 2.68Å; D34-K37 PolarHBondContact OD2-NZ 3.2Å; I35-K37 VanDerWaalsContact C-N 3.35Å; K37-Q39 PolarHBondContact O-N 3.31Å; K37-P79 HydrophobicContact CB-CG 3.65Å
38	L	94.8	Very high	93.2	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.016	32%	0.323	C	S	.	.			trans	-60.9	132.8	174.4	-171.8	149.2	0	0	0	109.9	I33 D34 I35 K50 F53 N77 I78	I33-L38 HydrophobicContact CG2-CD1 3.83Å; D34-L38 PolarHBondContact O-N 3.48Å; I35-L38 PolarHBondContact O-N 2.98Å; L38-K50 HydrophobicContact CB-CG 4.4Å; L38-K50 HydrophobicContact CD2-CG 3.72Å; L38-K50 WeakPolarHBondContact O-CE 3.32Å; L38-K50 PolarHBondContact O-NZ 3.33Å; L38-F53 HydrophobicContact CD1-CD2 3.69Å; L38-F53 HydrophobicContact CD1-CE2 3.59Å; L38-F53 HydrophobicContact CD1-CG 4.49Å; L38-F53 HydrophobicContact CD1-CZ 4.3Å; L38-F53 HydrophobicContact CD2-CE2 4.49Å; L38-N77 WeakPolarHBondContact CA-O 3.47Å; L38-I78 HydrophobicContact CD1-CG1 4.2Å; L38-I78 HydrophobicContact CD1-CG2 4.34Å
39	Q	95.8	Very high	93.5	Very high	82 Å²	82	66.3 Å²	66.3	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.8	175.3	-54.8	-173.5	-84.2	0	0	109.2	K37 N77	K37-Q39 PolarHBondContact O-N 3.31Å; Q39-N77 HydrophobicContact CB-CB 4.27Å; Q39-N77 PolarHBondContact N-O 3.47Å; Q39-N77 VanDerWaalsContact N-O 3.13Å; Q39-N77 PolarHBondContact O-N 2.99Å
40	C	96.3	Very high	93.7	Very high	11 Å²	11	69 Å²	69	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	168.6	-174.3	0	0	0	0	107.6	E43 L75 F76	C40-E43 HydrophobicContact CB-CG 4.36Å; C40-E43 VanDerWaalsContact CB-OE2 3.28Å; C40-E43 WeakPolarHBondContact CB-OE2 3.32Å; C40-L75 CarbonylContact C-O 3.36Å; C40-L75 WeakPolarHBondContact CA-O 3.37Å; C40-F76 HydrophobicContact CB-CD1 4.08Å; C40-F76 HydrophobicContact CB-CE1 4.29Å; C40-F76 WeakPolarHBondContact SG-CE1 3.28Å
41	L	96.3	Very high	93.9	Very high	55 Å²	55	69.4 Å²	69.4	29%	0.288	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.3	176.7	-49.8	-175	0	0	0	109.5	E43 L75 F114	L41-E43 VanDerWaalsContact C-N 3.29Å; L41-L75 HydrophobicContact CB-CB 4.23Å; L41-L75 HydrophobicContact CD1-CD2 3.99Å; L41-L75 PolarHBondContact N-O 3.44Å; L41-L75 PolarHBondContact O-N 2.92Å; L41-F114 HydrophobicContact CB-CE2 3.63Å; L41-F114 HydrophobicContact CB-CZ 4.1Å; L41-F114 HydrophobicContact CD1-CD2 4.46Å; L41-F114 HydrophobicContact CD1-CE2 4.34Å
42	N	95.6	Very high	94.1	Very high	35 Å²	35	63.8 Å²	63.8	19%	0.187	30%	0.303	C	S	.	.	S	Bend	trans	65	24.5	-174.7	-153.7	27.4	0	0	0	114.6	S68 D69 A70 D71 E73 L74 F114	N42-S68 CarbonylContact O-C 3.58Å; N42-S68 WeakPolarHBondContact O-CA 3.33Å; N42-D69 PolarHBondContact O-N 3.44Å; N42-A70 PolarHBondContact OD1-N 3.31Å; N42-D71 PolarHBondContact ND2-OD1 3.13Å; N42-D71 PolarHBondContact ND2-OD2 3.18Å; N42-D71 VanDerWaalsContact ND2-OD2 3.11Å; N42-E73 WeakPolarHBondContact CB-O 3.35Å; N42-E73 PolarHBondContact ND2-O 2.84Å; N42-L74 WeakPolarHBondContact O-CD2 3.33Å; N42-F114 HydrophobicContact CB-CE2 4.04Å; N42-F114 HydrophobicContact CB-CZ 3.76Å
43	E	95.9	Very high	94.1	Very high	29 Å²	29	59.5 Å²	59.5	14%	0.136	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-81	136.8	170.1	61.5	-174.9	178.2	0	0	111.3	C40 L41 R45 E46 G47 D48 G49 V66 E67	C40-E43 HydrophobicContact CB-CG 4.36Å; C40-E43 VanDerWaalsContact CB-OE2 3.28Å; C40-E43 WeakPolarHBondContact CB-OE2 3.32Å; L41-E43 VanDerWaalsContact C-N 3.29Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.17Å; E43-E46 WeakPolarHBondContact OE1-CA 3.48Å; E43-G47 PolarHBondContact OE1-N 3.44Å; E43-D48 PolarHBondContact OE2-N 3.32Å; E43-G49 WeakPolarHBondContact OE2-CA 3.45Å; E43-G49 PolarHBondContact OE2-N 3.13Å; E43-V66 HydrophobicContact CB-CG2 3.65Å; E43-E67 WeakPolarHBondContact CA-O 3.37Å
44	T	95.1	Very high	94	Very high	66 Å²	66	59.4 Å²	59.4	41%	0.405	29%	0.286	S	S	.	.	S	Bend	trans	-58.1	-38.7	178	-52.2	0	0	0	0	112.4	E67 S68	T44-E67 PolarHBondContact N-O 3.29Å; T44-E67 PolarHBondContact OG1-O 2.85Å; T44-E67 VanDerWaalsContact OG1-O 3.1Å; T44-S68 PolarHBondContact OG1-O 3.44Å
45	R	93.8	Very high	93.8	Very high	172 Å²	172	59.4 Å²	59.4	65%	0.649	29%	0.288	S	S	*	.	S	Bend	trans	-126.5	124.2	179.8	-178.5	-178	-176.4	-176.4	-0.1	109.8	E43 G47 D48	E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.17Å; R45-G47 PolarHBondContact O-N 2.89Å; R45-D48 WeakPolarHBondContact CB-OD2 3.17Å; R45-D48 WeakPolarHBondContact O-CB 3.48Å; R45-D48 PolarHBondContact O-N 3.18Å
46	E	91.9	Very high	93.6	Very high	185 Å²	185	56.9 Å²	56.9	86%	0.864	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	124.7	179.5	-169.5	-179.5	102.4	0	0	111.3	E43	E43-E46 WeakPolarHBondContact OE1-CA 3.48Å
47	G	91.7	Very high	93.4	Very high	22 Å²	22	54 Å²	54	23%	0.227	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-9.4	177.7	0	0	0	0	0	115.5	E43 R45 G49 K50	E43-G47 PolarHBondContact OE1-N 3.44Å; R45-G47 PolarHBondContact O-N 2.89Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 3.44Å; G47-K50 WeakPolarHBondContact O-CB 3.48Å; G47-K50 PolarHBondContact O-N 3.06Å; G47-K50 VanDerWaalsContact O-N 3.17Å
48	D	94.3	Very high	93.2	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.15	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-32.3	-179.8	-82.1	2.6	0	0	0	112	E43 R45 K50 L51 V66	E43-D48 PolarHBondContact OE2-N 3.32Å; R45-D48 WeakPolarHBondContact CB-OD2 3.17Å; R45-D48 WeakPolarHBondContact O-CB 3.48Å; R45-D48 PolarHBondContact O-N 3.18Å; D48-K50 PolarHBondContact O-N 3.26Å; D48-L51 VanDerWaalsContact O-CB 3.29Å; D48-L51 WeakPolarHBondContact O-CB 3.34Å; D48-L51 PolarHBondContact O-N 2.74Å; D48-V66 HydrophobicContact CB-CB 4.27Å; D48-V66 HydrophobicContact CB-CG2 4.2Å
49	G	92.3	Very high	92.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-14.1	174.1	0	0	0	0	0	114.3	E43 G47 V52 F53	E43-G49 WeakPolarHBondContact OE2-CA 3.45Å; E43-G49 PolarHBondContact OE2-N 3.13Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 3.44Å; G49-V52 WeakPolarHBondContact O-CG2 3.45Å; G49-F53 WeakPolarHBondContact O-CD2 3.18Å; G49-F53 WeakPolarHBondContact O-CE2 3.29Å
50	K	94.1	Very high	92.6	Very high	62 Å²	62	54 Å²	54	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-79.8	-28	171.2	-60.7	176.6	-176.2	-151.2	0	111.9	I35 E36 L38 G47 D48 V52 F53	I35-K50 HydrophobicContact CG2-CB 4.07Å; I35-K50 HydrophobicContact CG2-CD 4.07Å; I35-K50 HydrophobicContact CG2-CG 4.27Å; I35-K50 WeakPolarHBondContact O-CD 3.48Å; I35-K50 WeakPolarHBondContact O-CE 3.49Å; I35-K50 PolarHBondContact O-NZ 2.95Å; E36-K50 PolarHBondContact O-NZ 2.9Å; E36-K50 VanDerWaalsContact O-NZ 3.14Å; L38-K50 HydrophobicContact CB-CG 4.4Å; L38-K50 HydrophobicContact CD2-CG 3.72Å; L38-K50 WeakPolarHBondContact O-CE 3.32Å; L38-K50 PolarHBondContact O-NZ 3.33Å; G47-K50 WeakPolarHBondContact O-CB 3.48Å; G47-K50 PolarHBondContact O-N 3.06Å; G47-K50 VanDerWaalsContact O-N 3.17Å; D48-K50 PolarHBondContact O-N 3.26Å; K50-V52 VanDerWaalsContact C-N 3.31Å; K50-V52 PolarHBondContact O-N 2.91Å; K50-F53 PolarHBondContact O-N 3.24Å
51	L	93.6	Very high	92.4	Very high	66 Å²	66	55.5 Å²	55.5	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-75.3	-21.3	-171.5	-56	177	0	0	0	113.1	D48 F53 K64	D48-L51 VanDerWaalsContact O-CB 3.29Å; D48-L51 WeakPolarHBondContact O-CB 3.34Å; D48-L51 PolarHBondContact O-N 2.74Å; L51-F53 VanDerWaalsContact C-N 3.28Å; L51-F53 PolarHBondContact O-N 2.82Å; L51-K64 HydrophobicContact CB-CB 3.98Å; L51-K64 HydrophobicContact CB-CD 4.27Å; L51-K64 HydrophobicContact CB-CG 4.29Å; L51-K64 HydrophobicContact CD1-CG 4.43Å; L51-K64 HydrophobicContact CD2-CD 4.47Å
52	V	94.6	Very high	92.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.6	178.3	-57.8	0	0	0	0	113.4	G49 K50 K54 V66 F76 V165 Y167 I168	G49-V52 WeakPolarHBondContact O-CG2 3.45Å; K50-V52 VanDerWaalsContact C-N 3.31Å; K50-V52 PolarHBondContact O-N 2.91Å; V52-K54 PolarHBondContact O-N 2.81Å; V52-V66 HydrophobicContact CG1-CB 4.16Å; V52-V66 HydrophobicContact CG1-CG1 3.7Å; V52-F76 HydrophobicContact CG2-CE1 4.11Å; V52-V165 HydrophobicContact CG1-CG1 4.44Å; V52-V165 WeakPolarHBondContact CG1-O 3.46Å; V52-Y167 WeakPolarHBondContact O-CA 3.08Å; V52-I168 HydrophobicContact CG2-CD1 3.94Å; V52-I168 HydrophobicContact CG2-CG1 4.06Å; V52-I168 PolarHBondContact O-N 2.77Å
53	F	93.9	Very high	91.9	Very high	14 Å²	14	64.1 Å²	64.1	6%	0.061	31%	0.309	C	S	.	.			trans	-88.9	90.4	172.9	-62.7	-81.4	0	0	0	109.5	I33 I35 L38 G49 K50 L51 F76 I78 I168 L170	I33-F53 HydrophobicContact CD1-CB 4.3Å; I33-F53 HydrophobicContact CD1-CD1 3.58Å; I33-F53 HydrophobicContact CD1-CE1 4.14Å; I33-F53 HydrophobicContact CD1-CG 4.01Å; I35-F53 HydrophobicContact CD1-CB 4.46Å; L38-F53 HydrophobicContact CD1-CD2 3.69Å; L38-F53 HydrophobicContact CD1-CE2 3.59Å; L38-F53 HydrophobicContact CD1-CG 4.49Å; L38-F53 HydrophobicContact CD1-CZ 4.3Å; L38-F53 HydrophobicContact CD2-CE2 4.49Å; G49-F53 WeakPolarHBondContact O-CD2 3.18Å; G49-F53 WeakPolarHBondContact O-CE2 3.29Å; K50-F53 PolarHBondContact O-N 3.24Å; L51-F53 VanDerWaalsContact C-N 3.28Å; L51-F53 PolarHBondContact O-N 2.82Å; F53-F76 HydrophobicContact CE2-CD1 4.01Å; F53-F76 HydrophobicContact CZ-CD1 4.3Å; F53-I78 HydrophobicContact CE1-CD1 3.71Å; F53-I78 HydrophobicContact CE1-CG1 4.42Å; F53-I78 HydrophobicContact CE2-CD1 4.5Å; F53-I78 HydrophobicContact CZ-CD1 3.45Å; F53-I78 VanDerWaalsContact CZ-CD1 3.45Å; F53-I78 HydrophobicContact CZ-CG1 3.9Å; F53-I168 HydrophobicContact CD1-CB 4.17Å; F53-I168 HydrophobicContact CD1-CG2 4.37Å; F53-I168 HydrophobicContact CE1-CB 3.76Å; F53-I168 HydrophobicContact CE1-CD1 4.39Å; F53-I168 HydrophobicContact CE1-CG2 3.65Å; F53-I168 HydrophobicContact CZ-CB 4.18Å; F53-I168 HydrophobicContact CZ-CD1 3.94Å; F53-I168 HydrophobicContact CZ-CG2 4.22Å; F53-L170 HydrophobicContact CE1-CD1 4.47Å
54	K	91.5	Very high	91.7	Very high	9 Å²	9	67 Å²	67	4%	0.039	32%	0.322	C	S	.	.			trans	-131.6	170.7	-175.7	59.3	-171.6	173.9	-171.8	0	111.5	V52 Q58 D61 K64 Y166 Y167	V52-K54 PolarHBondContact O-N 2.81Å; K54-Q58 HydrophobicContact CB-CB 4.5Å; K54-Q58 HydrophobicContact CD-CB 4.02Å; K54-Q58 WeakPolarHBondContact CE-O 3.29Å; K54-Q58 HydrophobicContact CG-CB 4.2Å; K54-D61 PolarHBondContact NZ-O 2.83Å; K54-D61 IonicContact NZ-OD1 2.68Å; K54-D61 PolarHBondContact NZ-OD1 2.76Å; K54-D61 VanDerWaalsContact NZ-OD1 3.13Å; K54-K64 PolarHBondContact NZ-O 2.94Å; K54-Y166 WeakPolarHBondContact CE-O 3.47Å; K54-Y166 PolarHBondContact NZ-O 2.77Å; K54-Y167 HydrophobicContact CG-CD2 3.64Å; K54-Y167 HydrophobicContact CG-CE2 4Å; K54-Y167 VanDerWaalsContact O-CE2 3.3Å; K54-Y167 WeakPolarHBondContact O-CE2 3.3Å
55	P	91	Very high	91.7	Very high	31 Å²	31	67.3 Å²	67.3	20%	0.201	32%	0.317	C	S	.	.			trans	-62.7	153	177.3	-18.3	29.9	0	0	0	112.2	Y30 D57 Q58	Y30-P55 HydrophobicContact CE1-CB 4.19Å; Y30-P55 HydrophobicContact CE1-CG 4.47Å; Y30-P55 HydrophobicContact CE2-CG 4.02Å; Y30-P55 WeakPolarHBondContact OH-CG 3.21Å; P55-D57 PolarHBondContact O-N 2.88Å; P55-Q58 PolarHBondContact O-N 2.91Å
56	W	88.4	Confident	91.8	Very high	12 Å²	12	59.1 Å²	59.1	5%	0.045	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52.4	-37.8	177.9	177.4	-103	0	0	0	113.8	R23 Y27 Q58 R59 I90 A133 Y167	R23-W56 HydrophobicContact CB-CZ2 4.48Å; Y27-W56 AromaticContact CD2-CD2 3.82Å; Y27-W56 HydrophobicContact CD2-CD2 3.82Å; Y27-W56 AromaticContact CD2-CE3 3.31Å; Y27-W56 HydrophobicContact CD2-CE3 3.31Å; Y27-W56 HydrophobicContact CD2-CG 4.4Å; Y27-W56 AromaticContact CD2-CZ3 3.74Å; Y27-W56 HydrophobicContact CD2-CZ3 3.74Å; Y27-W56 HydrophobicContact CE1-CZ3 4.49Å; Y27-W56 HydrophobicContact CE2-CD2 4.21Å; Y27-W56 AromaticContact CE2-CE3 3.62Å; Y27-W56 HydrophobicContact CE2-CE3 3.62Å; Y27-W56 HydrophobicContact CE2-CH2 4.01Å; Y27-W56 AromaticContact CE2-CZ3 3.53Å; Y27-W56 HydrophobicContact CE2-CZ3 3.53Å; Y27-W56 AromaticContact CG-CE3 3.88Å; Y27-W56 HydrophobicContact CG-CE3 3.88Å; Y27-W56 HydrophobicContact CG-CZ3 4.37Å; Y27-W56 AromaticContact CZ-CZ3 3.98Å; W56-Q58 PolarHBondContact O-N 2.84Å; W56-R59 WeakPolarHBondContact O-CB 3.42Å; W56-R59 WeakPolarHBondContact O-CD 3.24Å; W56-R59 VanDerWaalsContact O-CG 3.29Å; W56-R59 WeakPolarHBondContact O-CG 3.33Å; W56-R59 PolarHBondContact O-N 2.64Å; W56-R59 VanDerWaalsContact O-N 3.16Å; W56-R59 PolarHBondContact O-NH1 2.8Å; W56-I90 HydrophobicContact CH2-CD1 3.78Å; W56-I90 HydrophobicContact CZ3-CD1 3.56Å; W56-A133 WeakPolarHBondContact CH2-O 3.47Å; W56-Y167 HydrophobicContact CE3-CE1 4.36Å; W56-Y167 HydrophobicContact CZ3-CE1 4.45Å
57	D	88.2	Confident	92.1	Very high	112 Å²	112	52.4 Å²	52.4	60%	0.599	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.3	178.6	-57.4	-75.1	0	0	0	113	P55	P55-D57 PolarHBondContact O-N 2.88Å
58	Q	89	Confident	92.3	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-98.4	8.2	179.3	-62	-179.1	26	0	0	112.6	K54 P55 W56 T60 D61	K54-Q58 HydrophobicContact CB-CB 4.5Å; K54-Q58 HydrophobicContact CD-CB 4.02Å; K54-Q58 WeakPolarHBondContact CE-O 3.29Å; K54-Q58 HydrophobicContact CG-CB 4.2Å; P55-Q58 PolarHBondContact O-N 2.91Å; W56-Q58 PolarHBondContact O-N 2.84Å; Q58-T60 PolarHBondContact O-N 2.81Å; Q58-T60 VanDerWaalsContact O-N 3.15Å; Q58-D61 HydrophobicContact CB-CB 4.42Å; Q58-D61 WeakPolarHBondContact O-CB 3.42Å; Q58-D61 PolarHBondContact O-N 3.23Å
59	R	88.6	Confident	92.2	Very high	62 Å²	62	55.4 Å²	55.4	23%	0.234	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.7	-176.2	75.4	-168.2	178.1	-72.1	-3.4	114.3	W56 A133 Y167	W56-R59 WeakPolarHBondContact O-CB 3.42Å; W56-R59 WeakPolarHBondContact O-CD 3.24Å; W56-R59 VanDerWaalsContact O-CG 3.29Å; W56-R59 WeakPolarHBondContact O-CG 3.33Å; W56-R59 PolarHBondContact O-N 2.64Å; W56-R59 VanDerWaalsContact O-N 3.16Å; W56-R59 PolarHBondContact O-NH1 2.8Å; R59-A133 HydrophobicContact CB-CB 4.14Å; R59-A133 HydrophobicContact CG-CB 4.15Å; R59-Y167 HydrophobicContact CB-CD1 3.77Å; R59-Y167 HydrophobicContact CB-CD2 3.75Å; R59-Y167 HydrophobicContact CB-CE1 3.85Å; R59-Y167 HydrophobicContact CB-CE2 3.82Å; R59-Y167 HydrophobicContact CB-CG 3.71Å
60	T	88.7	Confident	92.1	Very high	75 Å²	75	59.1 Å²	59.1	46%	0.46	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.4	178.6	57.9	0	0	0	0	113	Q58 R62 L132	Q58-T60 PolarHBondContact O-N 2.81Å; Q58-T60 VanDerWaalsContact O-N 3.15Å; T60-R62 PolarHBondContact O-N 3.49Å; T60-L132 HydrophobicContact CG2-CD2 4.38Å
61	D	91.1	Very high	92	Very high	42 Å²	42	58.7 Å²	58.7	23%	0.225	30%	0.298	C	S	.	.			trans	-67.2	126.7	173.7	173	-103.1	0	0	0	109.6	K54 Q58	K54-D61 PolarHBondContact NZ-O 2.83Å; K54-D61 IonicContact NZ-OD1 2.68Å; K54-D61 PolarHBondContact NZ-OD1 2.76Å; K54-D61 VanDerWaalsContact NZ-OD1 3.13Å; Q58-D61 HydrophobicContact CB-CB 4.42Å; Q58-D61 WeakPolarHBondContact O-CB 3.42Å; Q58-D61 PolarHBondContact O-N 3.23Å
62	R	90.4	Very high	92	Very high	105 Å²	105	58.7 Å²	58.7	40%	0.396	30%	0.296	S	S	.	.			trans	-109.7	4.2	-178.3	-50.7	-167.9	105.5	-157.7	7.3	113.4	T60 K64 G93 E94 Y166	T60-R62 PolarHBondContact O-N 3.49Å; R62-K64 VanDerWaalsContact C-N 3.32Å; R62-G93 PolarHBondContact NH2-O 2.9Å; R62-E94 IonicContact CZ-OE1 3.85Å; R62-E94 IonicContact NH1-OE1 2.87Å; R62-E94 PolarHBondContact NH1-OE1 3.45Å; R62-E94 IonicContact NH1-OE2 3.1Å; R62-E94 IonicContact NH2-OE1 3.96Å; R62-E94 PolarHBondContact NH2-OE1 3.22Å; R62-Y166 HydrophobicContact CB-CD1 3.92Å; R62-Y166 HydrophobicContact CB-CE1 3.87Å; R62-Y166 HydrophobicContact CG-CD1 4.3Å; R62-Y166 HydrophobicContact CG-CE1 4.46Å
63	E	91.1	Very high	92.1	Very high	167 Å²	167	61.7 Å²	61.7	78%	0.78	31%	0.31	S	S	*	.	S	Bend	trans	-69.2	-35.1	177.1	-63.6	-168.8	126.4	0	0	111.4
64	K	92.8	Very high	92.2	Very high	90 Å²	90	61 Å²	61	39%	0.391	31%	0.307	S	S	.	.	S	Bend	trans	-106.6	120.8	179.7	-70.4	176.4	-174	172.6	0	110.9	L51 K54 R62	L51-K64 HydrophobicContact CB-CB 3.98Å; L51-K64 HydrophobicContact CB-CD 4.27Å; L51-K64 HydrophobicContact CB-CG 4.29Å; L51-K64 HydrophobicContact CD1-CG 4.43Å; L51-K64 HydrophobicContact CD2-CD 4.47Å; K54-K64 PolarHBondContact NZ-O 2.94Å; R62-K64 VanDerWaalsContact C-N 3.32Å
65	F	95.1	Very high	92.5	Very high	71 Å²	71	60.6 Å²	60.6	31%	0.311	31%	0.305	S	S	.	.			trans	-148.7	166.7	179.8	63.5	-87.9	0	0	0	110.5	E67 V165 Y166	F65-E67 HydrophobicContact CD2-CB 4.4Å; F65-E67 HydrophobicContact CE2-CB 4.31Å; F65-V165 CarbonylContact C-O 3.59Å; F65-V165 VanDerWaalsContact CA-O 3.29Å; F65-V165 WeakPolarHBondContact CA-O 3.35Å; F65-V165 WeakPolarHBondContact CB-O 3.39Å; F65-Y166 HydrophobicContact CB-CD1 3.55Å; F65-Y166 HydrophobicContact CB-CE1 3.56Å; F65-Y166 HydrophobicContact CB-CG 4.3Å; F65-Y166 HydrophobicContact CD1-CE1 4.19Å; F65-Y166 HydrophobicContact CG-CD1 4.49Å; F65-Y166 HydrophobicContact CG-CE1 4.05Å
66	V	96.6	Very high	92.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.2	165.5	65.3	0	0	0	0	108.4	E43 D48 V52 L74 F76 R164 V165	E43-V66 HydrophobicContact CB-CG2 3.65Å; D48-V66 HydrophobicContact CB-CB 4.27Å; D48-V66 HydrophobicContact CB-CG2 4.2Å; V52-V66 HydrophobicContact CG1-CB 4.16Å; V52-V66 HydrophobicContact CG1-CG1 3.7Å; V66-L74 HydrophobicContact CG1-CD1 4.35Å; V66-F76 HydrophobicContact CG1-CE1 4.12Å; V66-F76 HydrophobicContact CG1-CZ 3.81Å; V66-R164 WeakPolarHBondContact O-CA 3.36Å; V66-V165 HydrophobicContact CG1-CB 3.86Å; V66-V165 PolarHBondContact N-O 2.75Å; V66-V165 PolarHBondContact O-N 3.11Å
67	E	96.3	Very high	93.3	Very high	44 Å²	44	58.7 Å²	58.7	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.4	175.1	-179.3	168.6	53.1	0	0	108.7	E43 T44 F65 S162 T163 R164	E43-E67 WeakPolarHBondContact CA-O 3.37Å; T44-E67 PolarHBondContact N-O 3.29Å; T44-E67 PolarHBondContact OG1-O 2.85Å; T44-E67 VanDerWaalsContact OG1-O 3.1Å; F65-E67 HydrophobicContact CD2-CB 4.4Å; F65-E67 HydrophobicContact CE2-CB 4.31Å; E67-S162 PolarHBondContact OE2-OG 3.11Å; E67-T163 WeakPolarHBondContact CA-O 3.44Å; E67-R164 HydrophobicContact CB-CG 4.23Å; E67-R164 HydrophobicContact CG-CG 4.08Å; E67-R164 IonicContact OE1-NH2 2.74Å; E67-R164 IonicContact OE2-CZ 2.74Å; E67-R164 IonicContact OE2-NE 3.13Å; E67-R164 PolarHBondContact OE2-NE 3.4Å; E67-R164 IonicContact OE2-NH2 2.66Å; E67-R164 PolarHBondContact OE2-NH2 2.81Å
68	S	96.6	Very high	93.6	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.028	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-82	143.4	174.4	66.4	0	0	0	0	112.8	N42 T44 D71 S162 T163	N42-S68 CarbonylContact O-C 3.58Å; N42-S68 WeakPolarHBondContact O-CA 3.33Å; T44-S68 PolarHBondContact OG1-O 3.44Å; S68-D71 WeakPolarHBondContact CB-O 3.41Å; S68-D71 PolarHBondContact OG-O 2.75Å; S68-S162 WeakPolarHBondContact OG-CA 3.34Å; S68-T163 PolarHBondContact N-O 2.64Å; S68-T163 PolarHBondContact OG-N 2.89Å
69	D	92.9	Very high	94	Very high	109 Å²	109	50 Å²	50	58%	0.583	25%	0.251	S	S	*	.	S	Bend	trans	-87.1	-51.4	-171.4	-164.4	47.1	0	0	0	113.9	N42	N42-D69 PolarHBondContact O-N 3.44Å
70	A	89.1	Confident	94.3	Very high	79 Å²	79	47.9 Å²	47.9	65%	0.653	24%	0.244	S	C	*	.	S	Bend	trans	-103.6	-36.8	-169.1	0	0	0	0	0	113.8	N42	N42-A70 PolarHBondContact OD1-N 3.31Å
71	D	92.8	Very high	94.5	Very high	53 Å²	53	48 Å²	48	28%	0.283	25%	0.245	S	C	.	.	S	Bend	trans	-152.1	178.1	-172.9	59.6	-94.4	0	0	0	109.6	N42 S68 E73 E161	N42-D71 PolarHBondContact ND2-OD1 3.13Å; N42-D71 PolarHBondContact ND2-OD2 3.18Å; N42-D71 VanDerWaalsContact ND2-OD2 3.11Å; S68-D71 WeakPolarHBondContact CB-O 3.41Å; S68-D71 PolarHBondContact OG-O 2.75Å; D71-E73 PolarHBondContact O-N 2.96Å; D71-E73 WeakPolarHBondContact OD2-CA 3.43Å; D71-E73 WeakPolarHBondContact OD2-CB 3.41Å; D71-E73 VanDerWaalsContact OD2-CG 3.29Å; D71-E73 WeakPolarHBondContact OD2-CG 3.19Å; D71-E73 PolarHBondContact OD2-N 3.38Å; D71-E161 CarbonylContact C-O 3.59Å; D71-E161 WeakPolarHBondContact CA-O 3.43Å
72	E	93.7	Very high	94.5	Very high	66 Å²	66	46.1 Å²	46.1	31%	0.308	24%	0.235	S	C	.	.	S	Bend	trans	-71.9	-6.2	-176.2	67.1	-99.3	-145	0	0	115	N157 E161 T163	E72-N157 HydrophobicContact CB-CB 4.47Å; E72-N157 WeakPolarHBondContact CB-ND2 3.16Å; E72-E161 PolarHBondContact N-O 3.13Å; E72-E161 VanDerWaalsContact N-O 3.15Å; E72-T163 WeakPolarHBondContact CA-OG1 3.13Å; E72-T163 WeakPolarHBondContact CB-OG1 3.35Å; E72-T163 VanDerWaalsContact O-CB 3.26Å; E72-T163 WeakPolarHBondContact O-CB 3.38Å; E72-T163 PolarHBondContact O-OG1 3.24Å
73	E	96.1	Very high	94.6	Very high	63 Å²	63	42.1 Å²	42.1	29%	0.294	22%	0.223	S	C	.	.			trans	-84.1	140.9	-174.4	-53.2	-168.9	76.2	0	0	112.5	N42 D71 F114 H153 I154	N42-E73 WeakPolarHBondContact CB-O 3.35Å; N42-E73 PolarHBondContact ND2-O 2.84Å; D71-E73 PolarHBondContact O-N 2.96Å; D71-E73 WeakPolarHBondContact OD2-CA 3.43Å; D71-E73 WeakPolarHBondContact OD2-CB 3.41Å; D71-E73 VanDerWaalsContact OD2-CG 3.29Å; D71-E73 WeakPolarHBondContact OD2-CG 3.19Å; D71-E73 PolarHBondContact OD2-N 3.38Å; E73-F114 HydrophobicContact CB-CE1 3.88Å; E73-H153 IonicContact OE1-CE1 2.72Å; E73-H153 PolarHBondContact OE1-CE1 2.72Å; E73-H153 IonicContact OE1-NE2 3.11Å; E73-H153 PolarHBondContact OE1-NE2 2.57Å; E73-I154 VanDerWaalsContact CA-O 3.24Å; E73-I154 WeakPolarHBondContact CA-O 3.43Å
74	L	97	Very high	94.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.4	171.2	-74	168.3	0	0	0	109.5	N42 V66 F76 H153 I154 T163 V165	N42-L74 WeakPolarHBondContact O-CD2 3.33Å; V66-L74 HydrophobicContact CG1-CD1 4.35Å; L74-F76 HydrophobicContact CB-CE2 3.85Å; L74-F76 HydrophobicContact CB-CZ 4.34Å; L74-F76 HydrophobicContact CD1-CE2 4.48Å; L74-F76 HydrophobicContact CD1-CZ 4.34Å; L74-H153 WeakPolarHBondContact O-CA 3.18Å; L74-I154 HydrophobicContact CB-CB 4.31Å; L74-I154 HydrophobicContact CB-CD1 4.39Å; L74-I154 HydrophobicContact CD1-CD1 4.49Å; L74-I154 PolarHBondContact N-O 3.37Å; L74-I154 PolarHBondContact O-N 3.48Å; L74-T163 HydrophobicContact CD1-CG2 4.07Å; L74-V165 HydrophobicContact CD1-CG2 4.27Å
75	L	97.4	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	114.4	177.2	-176.5	64.6	0	0	0	111.3	C40 L41 M112 F114 I152 H153	C40-L75 CarbonylContact C-O 3.36Å; C40-L75 WeakPolarHBondContact CA-O 3.37Å; L41-L75 HydrophobicContact CB-CB 4.23Å; L41-L75 HydrophobicContact CD1-CD2 3.99Å; L41-L75 PolarHBondContact N-O 3.44Å; L41-L75 PolarHBondContact O-N 2.92Å; L75-M112 HydrophobicContact CD1-SD 4.31Å; L75-M112 HydrophobicContact CD2-CB 4.37Å; L75-M112 HydrophobicContact CD2-CG 4.28Å; L75-M112 WeakPolarHBondContact CD2-O 3.48Å; L75-F114 HydrophobicContact CB-CE1 3.87Å; L75-F114 HydrophobicContact CB-CZ 3.84Å; L75-I152 WeakPolarHBondContact CA-O 3.24Å; L75-H153 HydrophobicContact CD1-CB 3.71Å
76	F	97.6	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.3	176.1	-56.4	-95.8	0	0	0	109.9	C40 V52 F53 V66 L74 I78 S151 I152 I154 I168	C40-F76 HydrophobicContact CB-CD1 4.08Å; C40-F76 HydrophobicContact CB-CE1 4.29Å; C40-F76 WeakPolarHBondContact SG-CE1 3.28Å; V52-F76 HydrophobicContact CG2-CE1 4.11Å; F53-F76 HydrophobicContact CE2-CD1 4.01Å; F53-F76 HydrophobicContact CZ-CD1 4.3Å; V66-F76 HydrophobicContact CG1-CE1 4.12Å; V66-F76 HydrophobicContact CG1-CZ 3.81Å; L74-F76 HydrophobicContact CB-CE2 3.85Å; L74-F76 HydrophobicContact CB-CZ 4.34Å; L74-F76 HydrophobicContact CD1-CE2 4.48Å; L74-F76 HydrophobicContact CD1-CZ 4.34Å; F76-I78 HydrophobicContact CB-CD1 4.24Å; F76-I78 HydrophobicContact CB-CG1 4.11Å; F76-S151 CarbonylContact O-C 3.58Å; F76-S151 WeakPolarHBondContact O-CA 3.35Å; F76-I152 HydrophobicContact CB-CB 4.24Å; F76-I152 HydrophobicContact CD2-CB 4.32Å; F76-I152 PolarHBondContact N-O 2.88Å; F76-I152 PolarHBondContact O-N 3.33Å; F76-I154 HydrophobicContact CE2-CD1 3.9Å; F76-I168 HydrophobicContact CD1-CD1 4.39Å; F76-I168 HydrophobicContact CD2-CD1 4.23Å; F76-I168 HydrophobicContact CE1-CD1 4.18Å; F76-I168 HydrophobicContact CE2-CD1 4.03Å; F76-I168 HydrophobicContact CG-CD1 4.42Å; F76-I168 HydrophobicContact CZ-CD1 4Å
77	N	97.2	Very high	94.9	Very high	2 Å²	2	33 Å²	33	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.5	171.6	-76.5	-49	0	0	0	109.1	L38 Q39 P79 M112 H149 S151	L38-N77 WeakPolarHBondContact CA-O 3.47Å; Q39-N77 HydrophobicContact CB-CB 4.27Å; Q39-N77 PolarHBondContact N-O 3.47Å; Q39-N77 VanDerWaalsContact N-O 3.13Å; Q39-N77 PolarHBondContact O-N 2.99Å; N77-P79 WeakPolarHBondContact O-CD 3.47Å; N77-M112 PolarHBondContact ND2-N 3.07Å; N77-M112 PolarHBondContact ND2-O 2.92Å; N77-M112 VanDerWaalsContact OD1-CB 3.29Å; N77-M112 WeakPolarHBondContact OD1-CB 3.28Å; N77-M112 PolarHBondContact OD1-N 3.2Å; N77-H149 PolarHBondContact OD1-CE1 3.17Å; N77-S151 PolarHBondContact OD1-OG 2.99Å
78	I	96.5	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	95.8	-167.2	-51.1	164.7	0	0	0	108.8	I33 L38 F53 F76 F80 H149 L150 I152	I33-I78 HydrophobicContact CB-CG2 4.33Å; I33-I78 HydrophobicContact CD1-CG2 3.79Å; I33-I78 HydrophobicContact CG1-CG2 3.78Å; I33-I78 HydrophobicContact CG2-CG2 3.64Å; L38-I78 HydrophobicContact CD1-CG1 4.2Å; L38-I78 HydrophobicContact CD1-CG2 4.34Å; F53-I78 HydrophobicContact CE1-CD1 3.71Å; F53-I78 HydrophobicContact CE1-CG1 4.42Å; F53-I78 HydrophobicContact CE2-CD1 4.5Å; F53-I78 HydrophobicContact CZ-CD1 3.45Å; F53-I78 VanDerWaalsContact CZ-CD1 3.45Å; F53-I78 HydrophobicContact CZ-CG1 3.9Å; F76-I78 HydrophobicContact CB-CD1 4.24Å; F76-I78 HydrophobicContact CB-CG1 4.11Å; I78-F80 HydrophobicContact CG2-CE1 4.21Å; I78-F80 HydrophobicContact CG2-CZ 4.17Å; I78-H149 WeakPolarHBondContact O-CA 3.4Å; I78-L150 WeakPolarHBondContact CA-O 3.34Å; I78-L150 HydrophobicContact CB-CB 4.35Å; I78-L150 VanDerWaalsContact CB-O 3.32Å; I78-L150 WeakPolarHBondContact CB-O 3.05Å; I78-L150 HydrophobicContact CD1-CD2 4.22Å; I78-L150 HydrophobicContact CD1-CG 4.47Å; I78-L150 PolarHBondContact N-O 3.24Å; I78-L150 PolarHBondContact O-N 2.85Å; I78-I152 HydrophobicContact CD1-CD1 3.41Å; I78-I152 VanDerWaalsContact CD1-CD1 3.41Å; I78-I152 HydrophobicContact CD1-CG1 3.75Å
79	P	95.9	Very high	94.8	Very high	18 Å²	18	30.7 Å²	30.7	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.8	170	27.4	-29.8	0	0	0	110.7	D34 K37 N77	D34-P79 HydrophobicContact CB-CB 4.39Å; D34-P79 HydrophobicContact CB-CG 4.12Å; D34-P79 PolarHBondContact N-O 3.28Å; K37-P79 HydrophobicContact CB-CG 3.65Å; N77-P79 WeakPolarHBondContact O-CD 3.47Å
80	F	95.2	Very high	94.9	Very high	18 Å²	18	25.5 Å²	25.5	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	152.2	170.3	-63.2	-71.3	0	0	0	111.1	R32 I33 I78 G82 V84 V147 N148 L150 L170	R32-F80 CarbonylContact O-C 3.59Å; R32-F80 WeakPolarHBondContact O-CA 3.47Å; I33-F80 HydrophobicContact CG1-CD1 4Å; I33-F80 HydrophobicContact CG1-CE1 3.76Å; I78-F80 HydrophobicContact CG2-CE1 4.21Å; I78-F80 HydrophobicContact CG2-CZ 4.17Å; F80-G82 WeakPolarHBondContact CB-O 3.4Å; F80-G82 PolarHBondContact O-N 2.9Å; F80-V84 HydrophobicContact CB-CG2 4.06Å; F80-V84 HydrophobicContact CD1-CG2 3.76Å; F80-V84 HydrophobicContact CD2-CB 4.25Å; F80-V84 HydrophobicContact CD2-CG2 4Å; F80-V84 HydrophobicContact CE1-CG2 4.17Å; F80-V84 HydrophobicContact CE2-CB 4.35Å; F80-V84 HydrophobicContact CE2-CG2 4.38Å; F80-V84 HydrophobicContact CG-CB 4.41Å; F80-V84 HydrophobicContact CG-CG2 3.66Å; F80-V84 HydrophobicContact CZ-CG2 4.46Å; F80-V147 HydrophobicContact CD2-CG1 4.19Å; F80-V147 HydrophobicContact CE2-CG1 3.84Å; F80-N148 PolarHBondContact N-O 2.87Å; F80-L150 HydrophobicContact CE2-CB 3.67Å; F80-L150 HydrophobicContact CZ-CB 4.16Å; F80-L150 HydrophobicContact CZ-CD2 4.27Å; F80-L170 HydrophobicContact CE1-CD1 3.97Å; F80-L170 HydrophobicContact CZ-CD1 3.79Å
81	T	93.2	Very high	95.1	Very high	78 Å²	78	21.9 Å²	21.9	48%	0.479	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-0.5	175.1	63.9	0	0	0	0	113.4	R32 D34 Y174	R32-T81 PolarHBondContact O-N 2.89Å; R32-T81 PolarHBondContact O-OG1 3.19Å; D34-T81 HydrophobicContact CB-CG2 4.32Å; T81-Y174 PolarHBondContact O-OH 3.44Å; T81-Y174 PolarHBondContact OG1-OH 3.1Å
82	G	91.3	Very high	95.2	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-164.4	-177	0	0	0	0	0	111.3	F80 N148	F80-G82 WeakPolarHBondContact CB-O 3.4Å; F80-G82 PolarHBondContact O-N 2.9Å; G82-N148 PolarHBondContact O-OD1 3.26Å
83	S	93.2	Very high	95.2	Very high	21 Å²	21	16.2 Å²	16.2	15%	0.147	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.5	-174.7	-178.4	0	0	0	0	110.4	N146 S175	S83-N146 WeakPolarHBondContact CB-OD1 3.44Å; S83-N146 WeakPolarHBondContact OG-CA 3.27Å; S83-N146 PolarHBondContact OG-OD1 3.21Å; S83-S175 PolarHBondContact N-O 3.31Å; S83-S175 PolarHBondContact O-N 3.39Å
84	V	94.5	Very high	95.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.9	179.8	174.1	0	0	0	0	110.5	L29 F80 N146 V147 E173 Y174	L29-V84 HydrophobicContact CD1-CG1 3.6Å; L29-V84 HydrophobicContact CD2-CG1 3.92Å; L29-V84 HydrophobicContact CD2-CG2 4.22Å; L29-V84 HydrophobicContact CG-CG1 4.41Å; F80-V84 HydrophobicContact CB-CG2 4.06Å; F80-V84 HydrophobicContact CD1-CG2 3.76Å; F80-V84 HydrophobicContact CD2-CB 4.25Å; F80-V84 HydrophobicContact CD2-CG2 4Å; F80-V84 HydrophobicContact CE1-CG2 4.17Å; F80-V84 HydrophobicContact CE2-CB 4.35Å; F80-V84 HydrophobicContact CE2-CG2 4.38Å; F80-V84 HydrophobicContact CG-CB 4.41Å; F80-V84 HydrophobicContact CG-CG2 3.66Å; F80-V84 HydrophobicContact CZ-CG2 4.46Å; V84-N146 PolarHBondContact O-N 2.8Å; V84-V147 HydrophobicContact CB-CB 4.43Å; V84-V147 PolarHBondContact N-O 2.95Å; V84-V147 WeakPolarHBondContact O-CB 3.27Å; V84-V147 PolarHBondContact O-N 2.96Å; V84-E173 CarbonylContact C-O 3.59Å; V84-E173 WeakPolarHBondContact CA-O 3.38Å; V84-Y174 HydrophobicContact CG2-CD2 4.03Å
85	K	95.5	Very high	94.9	Very high	77 Å²	77	20 Å²	20	34%	0.335	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	100.7	164.5	-176.9	-166.1	-64.2	162	0	107.9	I141 F144 G172 E173	K85-I141 HydrophobicContact CD-CG2 3.73Å; K85-I141 HydrophobicContact CG-CG2 3.78Å; K85-F144 WeakPolarHBondContact CA-O 3.43Å; K85-G172 CarbonylContact O-C 3.6Å; K85-G172 WeakPolarHBondContact O-CA 3.46Å; K85-E173 HydrophobicContact CB-CB 4.31Å; K85-E173 PolarHBondContact N-O 3.13Å; K85-E173 IonicContact NZ-OE2 3.87Å; K85-E173 PolarHBondContact NZ-OE2 3.23Å; K85-E173 PolarHBondContact O-N 3.45Å
86	L	95.6	Very high	94.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125	-178.6	-169.4	69.5	0	0	0	109.7	L29 L105 T139 F144 L150 L170	L29-L86 HydrophobicContact CD1-CD1 4.17Å; L86-L105 HydrophobicContact CD2-CD1 4.35Å; L86-T139 HydrophobicContact CD2-CG2 3.87Å; L86-T139 HydrophobicContact CG-CG2 4.17Å; L86-T139 PolarHBondContact O-OG1 2.61Å; L86-F144 HydrophobicContact CB-CB 3.82Å; L86-F144 HydrophobicContact CB-CG 4.47Å; L86-F144 HydrophobicContact CD2-CD1 4.18Å; L86-F144 HydrophobicContact CD2-CG 4.46Å; L86-F144 PolarHBondContact N-O 2.74Å; L86-L150 HydrophobicContact CD2-CD1 4.27Å; L86-L150 HydrophobicContact CD2-CD2 4.11Å; L86-L170 HydrophobicContact CD1-CB 4.12Å; L86-L170 HydrophobicContact CD1-CD2 4.24Å
87	K	95.3	Very high	94.5	Very high	56 Å²	56	27.7 Å²	27.7	24%	0.243	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-31.9	178.9	-66.3	-177.9	-179.4	176.3	0	112.6	T139 I141 R171 E173	K87-T139 WeakPolarHBondContact CA-OG1 3.37Å; K87-T139 PolarHBondContact N-OG1 2.99Å; K87-T139 PolarHBondContact O-N 2.66Å; K87-T139 PolarHBondContact O-OG1 3.43Å; K87-I141 HydrophobicContact CG-CD1 4.02Å; K87-I141 HydrophobicContact CG-CG1 4.22Å; K87-R171 PolarHBondContact N-O 3.35Å; K87-E173 WeakPolarHBondContact CE-OE1 3.24Å; K87-E173 IonicContact NZ-OE1 3.21Å; K87-E173 PolarHBondContact NZ-OE1 2.71Å
88	G	94.6	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	163.5	-179.2	0	0	0	0	0	112.2	Y137 T139 R171	G88-Y137 WeakPolarHBondContact CA-O 3.39Å; G88-T139 PolarHBondContact N-OG1 3.15Å; G88-R171 PolarHBondContact N-O 2.89Å; G88-R171 VanDerWaalsContact N-O 3.14Å; G88-R171 PolarHBondContact O-N 2.72Å
89	I	95.8	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.5	175.9	179.3	164	0	0	0	109.3	M103 L105 F125 Y137 T139 I152 I168 G169 L170	I89-M103 HydrophobicContact CD1-CE 4.03Å; I89-M103 HydrophobicContact CD1-SD 3.67Å; I89-M103 HydrophobicContact CG1-CE 4.35Å; I89-M103 HydrophobicContact CG1-SD 4.43Å; I89-M103 HydrophobicContact CG2-CE 3.46Å; I89-M103 VanDerWaalsContact CG2-CE 3.46Å; I89-L105 HydrophobicContact CD1-CD2 4.34Å; I89-L105 HydrophobicContact CG2-CD1 4.45Å; I89-F125 HydrophobicContact CG2-CE2 4.32Å; I89-Y137 PolarHBondContact N-O 3.43Å; I89-Y137 PolarHBondContact O-N 3.04Å; I89-T139 HydrophobicContact CG2-CG2 4.41Å; I89-I152 HydrophobicContact CD1-CD1 3.63Å; I89-I168 HydrophobicContact CD1-CG2 4.1Å; I89-I168 HydrophobicContact CG1-CG2 4.4Å; I89-G169 CarbonylContact C-O 3.51Å; I89-G169 WeakPolarHBondContact CA-O 3.09Å; I89-L170 HydrophobicContact CB-CD2 4.39Å; I89-L170 HydrophobicContact CD1-CD2 3.78Å; I89-L170 HydrophobicContact CG1-CD2 3.97Å
90	I	95	Very high	94.3	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.3	171.4	-72.3	-175.8	0	0	0	107.8	Y27 W56 A133 E136 Y167 I168 G169	Y27-I90 HydrophobicContact CE1-CB 4.39Å; Y27-I90 HydrophobicContact CE1-CD1 3.69Å; Y27-I90 HydrophobicContact CE1-CG1 3.92Å; Y27-I90 HydrophobicContact CE2-CD1 4.18Å; Y27-I90 WeakPolarHBondContact OH-CD1 3.34Å; W56-I90 HydrophobicContact CH2-CD1 3.78Å; W56-I90 HydrophobicContact CZ3-CD1 3.56Å; I90-A133 HydrophobicContact CG2-CB 3.44Å; I90-A133 VanDerWaalsContact CG2-CB 3.44Å; I90-E136 HydrophobicContact CD1-CB 4.09Å; I90-E136 HydrophobicContact CG1-CB 3.93Å; I90-E136 HydrophobicContact CG1-CG 4.2Å; I90-Y167 HydrophobicContact CG2-CD1 4.24Å; I90-Y167 HydrophobicContact CG2-CE1 4.14Å; I90-I168 CarbonylContact O-C 3.55Å; I90-I168 WeakPolarHBondContact O-CA 3.39Å; I90-G169 PolarHBondContact N-O 2.74Å; I90-G169 PolarHBondContact O-N 3.06Å
91	L	94.4	Very high	94.3	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.9	174.9	-178.8	149.2	0	0	0	108.4	P100 L127 I154 V165 Y167	L91-P100 HydrophobicContact CD1-CB 4.31Å; L91-P100 HydrophobicContact CD1-CG 4.13Å; L91-P100 HydrophobicContact CD2-CB 3.92Å; L91-P100 HydrophobicContact CD2-CG 3.57Å; L91-P100 HydrophobicContact CG-CG 4.48Å; L91-L127 HydrophobicContact CD1-CD1 4.41Å; L91-L127 HydrophobicContact CD2-CD1 4.43Å; L91-I154 HydrophobicContact CD1-CD1 3.9Å; L91-V165 HydrophobicContact CD1-CG1 4.32Å; L91-V165 HydrophobicContact CG-CG1 4.17Å; L91-Y167 CarbonylContact C-O 3.53Å; L91-Y167 WeakPolarHBondContact CA-O 3.45Å
92	A	95.1	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.9	165.8	0	0	0	0	0	110.8	D130 A133 Y166 Y167	A92-D130 WeakPolarHBondContact CA-O 3.34Å; A92-A133 HydrophobicContact CB-CB 3.82Å; A92-Y166 PolarHBondContact O-N 2.77Å; A92-Y167 PolarHBondContact N-O 2.79Å; A92-Y167 PolarHBondContact O-N 3Å
93	G	93.5	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-163.5	171.1	0	0	0	0	0	113.1	R62 H99 R164 Y166	R62-G93 PolarHBondContact NH2-O 2.9Å; G93-H99 WeakPolarHBondContact CA-CD2 3.35Å; G93-H99 PolarHBondContact N-CD2 3.23Å; G93-H99 PolarHBondContact N-NE2 2.82Å; G93-H99 VanDerWaalsContact N-NE2 3.19Å; G93-R164 WeakPolarHBondContact CA-O 3.44Å; G93-Y166 VanDerWaalsContact C-CD2 3.48Å; G93-Y166 WeakPolarHBondContact O-CD2 3.36Å
94	E	93.6	Very high	95	Very high	28 Å²	28	27.1 Å²	27.1	13%	0.131	13%	0.131	C	C	.	.			trans	-71.1	158.4	174.1	-173.2	54.5	-80.2	0	0	111.8	R62 D96 S98 H99 R164 Y166	R62-E94 IonicContact CZ-OE1 3.85Å; R62-E94 IonicContact NH1-OE1 2.87Å; R62-E94 PolarHBondContact NH1-OE1 3.45Å; R62-E94 IonicContact NH1-OE2 3.1Å; R62-E94 IonicContact NH2-OE1 3.96Å; R62-E94 PolarHBondContact NH2-OE1 3.22Å; E94-D96 WeakPolarHBondContact CB-OD1 3.17Å; E94-D96 HydrophobicContact CG-CB 4.16Å; E94-D96 VanDerWaalsContact CG-OD1 3.24Å; E94-D96 WeakPolarHBondContact CG-OD1 3.07Å; E94-D96 WeakPolarHBondContact CG-OD2 3.42Å; E94-D96 PolarHBondContact O-N 3.02Å; E94-D96 VanDerWaalsContact O-N 3.13Å; E94-S98 VanDerWaalsContact CB-OG 3.27Å; E94-S98 WeakPolarHBondContact CB-OG 3.2Å; E94-H99 WeakPolarHBondContact O-CB 3.47Å; E94-H99 PolarHBondContact O-CD2 2.84Å; E94-H99 VanDerWaalsContact O-CD2 3.25Å; E94-R164 HydrophobicContact CB-CB 4.19Å; E94-Y166 HydrophobicContact CB-CE2 4Å; E94-Y166 PolarHBondContact OE2-OH 2.82Å
95	D	91.6	Very high	95.2	Very high	114 Å²	114	27.1 Å²	27.1	61%	0.61	13%	0.131	S	C	*	.	S	Bend	trans	-84	35.4	174.6	-166.8	39.6	0	0	0	111.8	P131	D95-P131 HydrophobicContact CB-CB 4.08Å; D95-P131 HydrophobicContact CB-CG 4.09Å
96	D	92.9	Very high	95.2	Very high	63 Å²	63	23.6 Å²	23.6	34%	0.337	12%	0.116	S	C	.	.	S	Bend	trans	-138.6	-159.8	179.5	72.1	11.5	0	0	0	111.4	E94 S98	E94-D96 WeakPolarHBondContact CB-OD1 3.17Å; E94-D96 HydrophobicContact CG-CB 4.16Å; E94-D96 VanDerWaalsContact CG-OD1 3.24Å; E94-D96 WeakPolarHBondContact CG-OD1 3.07Å; E94-D96 WeakPolarHBondContact CG-OD2 3.42Å; E94-D96 PolarHBondContact O-N 3.02Å; E94-D96 VanDerWaalsContact O-N 3.13Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 3.04Å; D96-S98 WeakPolarHBondContact OD1-CA 3.29Å; D96-S98 VanDerWaalsContact OD1-CB 3.24Å; D96-S98 WeakPolarHBondContact OD1-CB 3.15Å; D96-S98 PolarHBondContact OD1-N 3.11Å; D96-S98 PolarHBondContact OD1-OG 2.89Å
97	E	93.9	Very high	95.2	Very high	99 Å²	99	25.6 Å²	25.6	46%	0.463	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.1	-177.6	-49.3	-160.9	107.2	0	0	113.6	H99 R129 F158 G159 T160	E97-H99 PolarHBondContact O-N 3.1Å; E97-R129 IonicContact OE1-NH2 3.53Å; E97-F158 HydrophobicContact CB-CB 4.32Å; E97-F158 WeakPolarHBondContact O-CA 3.48Å; E97-F158 WeakPolarHBondContact O-CB 3.49Å; E97-F158 PolarHBondContact O-N 2.72Å; E97-G159 PolarHBondContact O-N 2.68Å; E97-T160 VanDerWaalsContact C-OG1 3.31Å; E97-T160 HydrophobicContact CB-CG2 3.65Å; E97-T160 PolarHBondContact O-OG1 3.09Å
98	S	93.5	Very high	95.1	Very high	3 Å²	3	26 Å²	26	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2	173	75.6	0	0	0	0	114	E94 D96 T160 S162 T163 R164	E94-S98 VanDerWaalsContact CB-OG 3.27Å; E94-S98 WeakPolarHBondContact CB-OG 3.2Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 3.04Å; D96-S98 WeakPolarHBondContact OD1-CA 3.29Å; D96-S98 VanDerWaalsContact OD1-CB 3.24Å; D96-S98 WeakPolarHBondContact OD1-CB 3.15Å; D96-S98 PolarHBondContact OD1-N 3.11Å; D96-S98 PolarHBondContact OD1-OG 2.89Å; S98-T160 WeakPolarHBondContact CA-OG1 3.37Å; S98-T160 WeakPolarHBondContact CB-OG1 3.45Å; S98-T160 PolarHBondContact N-OG1 2.87Å; S98-T160 VanDerWaalsContact N-OG1 3.16Å; S98-S162 WeakPolarHBondContact CB-O 3.47Å; S98-T163 WeakPolarHBondContact O-CA 3.46Å; S98-R164 PolarHBondContact O-N 3.24Å
99	H	95.8	Very high	95.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.138	C	C	.	.	S	Bend	trans	-62.1	136.6	170.4	-166.1	-77.9	0	0	0	110.8	G93 E94 E97 A101 N128 R129 D130 N157 F158	G93-H99 WeakPolarHBondContact CA-CD2 3.35Å; G93-H99 PolarHBondContact N-CD2 3.23Å; G93-H99 PolarHBondContact N-NE2 2.82Å; G93-H99 VanDerWaalsContact N-NE2 3.19Å; E94-H99 WeakPolarHBondContact O-CB 3.47Å; E94-H99 PolarHBondContact O-CD2 2.84Å; E94-H99 VanDerWaalsContact O-CD2 3.25Å; E97-H99 PolarHBondContact O-N 3.1Å; H99-A101 PolarHBondContact O-N 3.3Å; H99-N128 PolarHBondContact CE1-O 3.37Å; H99-R129 HydrophobicContact CB-CG 4.19Å; H99-D130 PolarHBondContact NE2-N 2.86Å; H99-N157 VanDerWaalsContact O-CA 3.27Å; H99-N157 WeakPolarHBondContact O-CA 3.41Å; H99-N157 VanDerWaalsContact O-CB 3.23Å; H99-N157 WeakPolarHBondContact O-CB 3.35Å; H99-F158 HydrophobicContact CB-CD2 3.95Å; H99-F158 HydrophobicContact CB-CE2 4.27Å; H99-F158 AromaticContact ND1-CE2 3.8Å; H99-F158 VanDerWaalsContact O-CD2 3.24Å; H99-F158 WeakPolarHBondContact O-CD2 3.23Å; H99-F158 PolarHBondContact O-N 3.05Å
100	P	96.3	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	134.8	172.7	-29.2	38.5	0	0	0	112.2	L91 L127 I154 F158 T163 V165	L91-P100 HydrophobicContact CD1-CB 4.31Å; L91-P100 HydrophobicContact CD1-CG 4.13Å; L91-P100 HydrophobicContact CD2-CB 3.92Å; L91-P100 HydrophobicContact CD2-CG 3.57Å; L91-P100 HydrophobicContact CG-CG 4.48Å; P100-L127 HydrophobicContact CB-CD1 3.62Å; P100-L127 WeakPolarHBondContact O-CB 3.29Å; P100-I154 HydrophobicContact CB-CD1 4.31Å; P100-I154 HydrophobicContact CB-CG2 3.76Å; P100-I154 HydrophobicContact CG-CD1 3.95Å; P100-I154 HydrophobicContact CG-CG2 4.19Å; P100-F158 WeakPolarHBondContact O-CE2 3.36Å; P100-T163 HydrophobicContact CG-CG2 3.7Å; P100-V165 HydrophobicContact CG-CG2 3.73Å
101	A	96.7	Very high	94.6	Very high	19 Å²	19	38.8 Å²	38.8	16%	0.157	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-25.8	-180	0	0	0	0	0	112.5	H99 R126 L127 R156 N157 F158	H99-A101 PolarHBondContact O-N 3.3Å; A101-R126 WeakPolarHBondContact O-CA 3.44Å; A101-L127 PolarHBondContact O-N 3.17Å; A101-R156 PolarHBondContact N-O 3.19Å; A101-N157 VanDerWaalsContact CB-O 3.24Å; A101-N157 WeakPolarHBondContact CB-O 3.4Å; A101-F158 HydrophobicContact CB-CD1 4.28Å; A101-F158 HydrophobicContact CB-CD2 3.84Å; A101-F158 HydrophobicContact CB-CE1 4.29Å; A101-F158 HydrophobicContact CB-CE2 3.83Å; A101-F158 HydrophobicContact CB-CG 4.05Å; A101-F158 HydrophobicContact CB-CZ 4.06Å
102	E	97.1	Very high	94.6	Very high	37 Å²	37	38.7 Å²	38.7	17%	0.173	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.2	175.6	-170.8	-179.8	110.4	0	0	110.7	R104 F125 I154 S155 R156	E102-R104 IonicContact OE1-CZ 2.72Å; E102-R104 IonicContact OE1-NE 3.37Å; E102-R104 PolarHBondContact OE1-NE 3.42Å; E102-R104 IonicContact OE1-NH2 3.21Å; E102-R104 PolarHBondContact OE1-NH2 3.35Å; E102-F125 WeakPolarHBondContact CA-O 3.47Å; E102-I154 WeakPolarHBondContact O-CA 3.37Å; E102-S155 WeakPolarHBondContact CB-OG 3Å; E102-S155 VanDerWaalsContact CD-OG 3.28Å; E102-S155 VanDerWaalsContact CG-OG 3.3Å; E102-S155 WeakPolarHBondContact CG-OG 3.2Å; E102-S155 PolarHBondContact O-N 2.57Å; E102-S155 VanDerWaalsContact O-N 3.15Å; E102-S155 PolarHBondContact OE1-OG 3.06Å; E102-R156 HydrophobicContact CB-CB 4.17Å; E102-R156 PolarHBondContact N-O 3.4Å; E102-R156 VanDerWaalsContact N-O 3.11Å
103	M	97.2	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.8	176.9	172.4	-176.2	72	0	0	110.3	I89 L105 A124 F125 L127 I152 H153	I89-M103 HydrophobicContact CD1-CE 4.03Å; I89-M103 HydrophobicContact CD1-SD 3.67Å; I89-M103 HydrophobicContact CG1-CE 4.35Å; I89-M103 HydrophobicContact CG1-SD 4.43Å; I89-M103 HydrophobicContact CG2-CE 3.46Å; I89-M103 VanDerWaalsContact CG2-CE 3.46Å; M103-L105 HydrophobicContact CE-CD2 4.29Å; M103-L105 HydrophobicContact CG-CD2 4.07Å; M103-L105 HydrophobicContact SD-CD2 4.05Å; M103-A124 CarbonylContact O-C 3.53Å; M103-A124 WeakPolarHBondContact O-CA 3.37Å; M103-F125 HydrophobicContact CE-CB 4.29Å; M103-F125 HydrophobicContact CE-CD2 3.43Å; M103-F125 VanDerWaalsContact CE-CD2 3.43Å; M103-F125 HydrophobicContact CE-CE2 3.97Å; M103-F125 HydrophobicContact CE-CG 4.13Å; M103-F125 PolarHBondContact N-O 2.98Å; M103-F125 PolarHBondContact O-N 3.1Å; M103-L127 HydrophobicContact CB-CD1 3.82Å; M103-L127 HydrophobicContact CB-CD2 4.24Å; M103-L127 HydrophobicContact CB-CG 4.19Å; M103-L127 HydrophobicContact CE-CD2 4.21Å; M103-I152 HydrophobicContact CG-CG2 3.74Å; M103-I152 HydrophobicContact SD-CG2 3.76Å; M103-H153 CarbonylContact C-O 3.58Å; M103-H153 WeakPolarHBondContact CA-O 3.21Å
104	R	97.9	Very high	94.7	Very high	66 Å²	66	44 Å²	44	25%	0.249	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	178	-60.2	176.4	-174.5	169.5	4.2	109.3	E102 Y106 P121 A124 H153	E102-R104 IonicContact OE1-CZ 2.72Å; E102-R104 IonicContact OE1-NE 3.37Å; E102-R104 PolarHBondContact OE1-NE 3.42Å; E102-R104 IonicContact OE1-NH2 3.21Å; E102-R104 PolarHBondContact OE1-NH2 3.35Å; R104-Y106 HydrophobicContact CB-CE2 3.7Å; R104-P121 HydrophobicContact CB-CB 3.96Å; R104-P121 HydrophobicContact CB-CG 4.38Å; R104-P121 HydrophobicContact CG-CB 4.48Å; R104-P121 HydrophobicContact CG-CG 4.37Å; R104-A124 HydrophobicContact CG-CB 4.07Å; R104-H153 HydrophobicContact CB-CB 4.26Å; R104-H153 PolarHBondContact N-O 3.49Å; R104-H153 PolarHBondContact O-N 2.66Å
105	L	97.5	Very high	94.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134	-179.5	-59.1	-172.7	0	0	0	110.3	L86 I89 M103 E122 Q123 F125 T139 F144 I152	L86-L105 HydrophobicContact CD2-CD1 4.35Å; I89-L105 HydrophobicContact CD1-CD2 4.34Å; I89-L105 HydrophobicContact CG2-CD1 4.45Å; M103-L105 HydrophobicContact CE-CD2 4.29Å; M103-L105 HydrophobicContact CG-CD2 4.07Å; M103-L105 HydrophobicContact SD-CD2 4.05Å; L105-E122 PolarHBondContact O-N 3.17Å; L105-Q123 PolarHBondContact N-O 2.65Å; L105-F125 HydrophobicContact CD1-CD2 4.49Å; L105-F125 HydrophobicContact CD1-CE2 3.72Å; L105-F125 HydrophobicContact CG-CE2 4.2Å; L105-T139 HydrophobicContact CD1-CG2 3.82Å; L105-F144 HydrophobicContact CB-CE1 3.76Å; L105-F144 HydrophobicContact CB-CZ 3.65Å; L105-F144 HydrophobicContact CD1-CE1 4.11Å; L105-F144 HydrophobicContact CD1-CZ 3.94Å; L105-F144 HydrophobicContact CG-CZ 4.46Å; L105-I152 HydrophobicContact CD2-CB 4.25Å; L105-I152 HydrophobicContact CD2-CG1 3.86Å; L105-I152 HydrophobicContact CD2-CG2 4.01Å
106	Y	96.9	Very high	94.7	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.6	175.1	-55.1	-99	0	0	0	109.3	R104 I109 M112 T117 R119 P121 S151 H153	R104-Y106 HydrophobicContact CB-CE2 3.7Å; Y106-I109 HydrophobicContact CD1-CD1 4.37Å; Y106-M112 HydrophobicContact CD1-CE 3.79Å; Y106-M112 HydrophobicContact CD1-SD 4.2Å; Y106-M112 HydrophobicContact CD2-CE 3.6Å; Y106-M112 HydrophobicContact CD2-SD 3.63Å; Y106-M112 HydrophobicContact CE1-CE 3.79Å; Y106-M112 HydrophobicContact CE2-CE 3.63Å; Y106-M112 HydrophobicContact CE2-SD 4.26Å; Y106-M112 HydrophobicContact CG-CE 3.69Å; Y106-M112 HydrophobicContact CG-SD 3.61Å; Y106-T117 PolarHBondContact OH-O 3.34Å; Y106-R119 HydrophobicContact CE1-CB 4.45Å; Y106-P121 HydrophobicContact CD1-CB 4.33Å; Y106-P121 HydrophobicContact CE1-CB 3.82Å; Y106-P121 HydrophobicContact CE2-CB 4.18Å; Y106-S151 PolarHBondContact N-O 2.75Å; Y106-S151 PolarHBondContact O-N 3.39Å; Y106-H153 HydrophobicContact CE2-CB 3.96Å
107	K	94.6	Very high	94.6	Very high	43 Å²	43	43.4 Å²	43.4	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.6	-172.6	174.1	-174	172.5	-162	0	110.5	I109 E122 R143 S145 N146 V147	K107-I109 PolarHBondContact O-N 2.91Å; K107-E122 HydrophobicContact CB-CG 3.89Å; K107-R143 VanDerWaalsContact CD-O 3.27Å; K107-R143 WeakPolarHBondContact CD-O 3.44Å; K107-R143 PolarHBondContact NZ-O 3Å; K107-S145 WeakPolarHBondContact CE-O 3.43Å; K107-S145 PolarHBondContact NZ-O 2.84Å; K107-N146 WeakPolarHBondContact CE-O 3.44Å; K107-V147 HydrophobicContact CD-CG2 3.98Å; K107-V147 HydrophobicContact CG-CB 4.48Å; K107-V147 HydrophobicContact CG-CG1 4.28Å; K107-V147 HydrophobicContact CG-CG2 4.04Å
108	N	94.3	Very high	94.4	Very high	64 Å²	64	42.3 Å²	42.3	34%	0.342	24%	0.24	S	C	.	.	S	Bend	trans	57.3	31.8	171.2	-61.9	-22.1	0	0	0	114.1	P110 N146 N148 H149	N108-P110 WeakPolarHBondContact O-CD 3.35Å; N108-N146 PolarHBondContact ND2-O 3.01Å; N108-N146 VanDerWaalsContact ND2-O 3.11Å; N108-N148 PolarHBondContact OD1-N 3.21Å; N108-H149 PolarHBondContact N-O 3Å; N108-H149 PolarHBondContact OD1-N 2.79Å
109	I	93.6	Very high	94.4	Very high	37 Å²	37	48.7 Å²	48.7	19%	0.19	26%	0.264	C	S	.	.			trans	-105.8	95.1	169.4	-53.5	178.6	0	0	0	107	Y106 K107 M112 H149 S151	Y106-I109 HydrophobicContact CD1-CD1 4.37Å; K107-I109 PolarHBondContact O-N 2.91Å; I109-M112 HydrophobicContact CB-CB 4.47Å; I109-M112 HydrophobicContact CG2-CB 4.04Å; I109-M112 HydrophobicContact CG2-CG 4.2Å; I109-H149 PolarHBondContact O-CE1 3.28Å; I109-H149 PolarHBondContact O-ND1 3.01Å; I109-S151 PolarHBondContact O-OG 2.68Å
110	P	90.1	Very high	94.4	Very high	91 Å²	91	56.7 Å²	56.7	59%	0.591	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	140.1	177.9	28.1	-33.6	0	0	0	110	N108 M112	N108-P110 WeakPolarHBondContact O-CD 3.35Å; P110-M112 VanDerWaalsContact C-N 3.3Å; P110-M112 PolarHBondContact O-N 3.25Å
111	Q	91	Very high	94.4	Very high	142 Å²	142	58 Å²	58	66%	0.664	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	44.3	175.7	-51.5	-174.2	-67.3	0	0	113.5	S113	Q111-S113 PolarHBondContact O-N 3.3Å
112	M	93.9	Very high	94.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.318	C	S	.	.			trans	-57.9	138.1	177.2	-169.6	-179.7	172	0	0	110.6	L75 N77 Y106 I109 P110 D116 T117 S151	L75-M112 HydrophobicContact CD1-SD 4.31Å; L75-M112 HydrophobicContact CD2-CB 4.37Å; L75-M112 HydrophobicContact CD2-CG 4.28Å; L75-M112 WeakPolarHBondContact CD2-O 3.48Å; N77-M112 PolarHBondContact ND2-N 3.07Å; N77-M112 PolarHBondContact ND2-O 2.92Å; N77-M112 VanDerWaalsContact OD1-CB 3.29Å; N77-M112 WeakPolarHBondContact OD1-CB 3.28Å; N77-M112 PolarHBondContact OD1-N 3.2Å; Y106-M112 HydrophobicContact CD1-CE 3.79Å; Y106-M112 HydrophobicContact CD1-SD 4.2Å; Y106-M112 HydrophobicContact CD2-CE 3.6Å; Y106-M112 HydrophobicContact CD2-SD 3.63Å; Y106-M112 HydrophobicContact CE1-CE 3.79Å; Y106-M112 HydrophobicContact CE2-CE 3.63Å; Y106-M112 HydrophobicContact CE2-SD 4.26Å; Y106-M112 HydrophobicContact CG-CE 3.69Å; Y106-M112 HydrophobicContact CG-SD 3.61Å; I109-M112 HydrophobicContact CB-CB 4.47Å; I109-M112 HydrophobicContact CG2-CB 4.04Å; I109-M112 HydrophobicContact CG2-CG 4.2Å; P110-M112 VanDerWaalsContact C-N 3.3Å; P110-M112 PolarHBondContact O-N 3.25Å; M112-D116 HydrophobicContact CE-CB 3.77Å; M112-D116 HydrophobicContact CG-CB 3.64Å; M112-T117 HydrophobicContact CE-CG2 3.94Å; M112-S151 WeakPolarHBondContact CB-OG 3.49Å; M112-S151 VanDerWaalsContact SD-CB 3.56Å
113	S	95.7	Very high	94.4	Very high	45 Å²	45	59.9 Å²	59.9	32%	0.315	32%	0.315	S	S	.	.			trans	-112.6	172.9	176.2	73	0	0	0	0	111.3	Q111 D115 D116	Q111-S113 PolarHBondContact O-N 3.3Å; S113-D115 PolarHBondContact O-N 2.7Å; S113-D115 PolarHBondContact OG-N 3.29Å; S113-D116 PolarHBondContact N-OD2 2.97Å; S113-D116 WeakPolarHBondContact O-CB 3.26Å; S113-D116 PolarHBondContact O-N 3.16Å; S113-D116 VanDerWaalsContact O-N 3.13Å; S113-D116 PolarHBondContact OG-OD2 3.46Å
114	F	94.8	Very high	94.4	Very high	68 Å²	68	62.5 Å²	62.5	30%	0.298	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-63.1	-26.7	175.3	-68.9	-74.3	0	0	0	113.2	L41 N42 E73 L75 D116 T117	L41-F114 HydrophobicContact CB-CE2 3.63Å; L41-F114 HydrophobicContact CB-CZ 4.1Å; L41-F114 HydrophobicContact CD1-CD2 4.46Å; L41-F114 HydrophobicContact CD1-CE2 4.34Å; N42-F114 HydrophobicContact CB-CE2 4.04Å; N42-F114 HydrophobicContact CB-CZ 3.76Å; E73-F114 HydrophobicContact CB-CE1 3.88Å; L75-F114 HydrophobicContact CB-CE1 3.87Å; L75-F114 HydrophobicContact CB-CZ 3.84Å; F114-D116 VanDerWaalsContact C-N 3.26Å; F114-D116 PolarHBondContact O-N 3.15Å; F114-T117 HydrophobicContact CD1-CG2 4.33Å; F114-T117 WeakPolarHBondContact O-CB 3.05Å; F114-T117 WeakPolarHBondContact O-CG2 3.4Å; F114-T117 PolarHBondContact O-N 3.43Å; F114-T117 PolarHBondContact O-OG1 3.13Å
115	D	93.5	Very high	94.3	Very high	146 Å²	146	60.4 Å²	60.4	78%	0.781	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-64.2	-33.2	174.5	-170.1	-102.4	0	0	0	111.9	S113 T117	S113-D115 PolarHBondContact O-N 2.7Å; S113-D115 PolarHBondContact OG-N 3.29Å; D115-T117 VanDerWaalsContact C-N 3.25Å; D115-T117 PolarHBondContact O-N 3.3Å
116	D	92.2	Very high	94.3	Very high	23 Å²	23	70.5 Å²	70.5	12%	0.123	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-73.9	-15	178.3	-60.3	-84.8	0	0	0	113.1	M112 S113 F114 G118 R119	M112-D116 HydrophobicContact CE-CB 3.77Å; M112-D116 HydrophobicContact CG-CB 3.64Å; S113-D116 PolarHBondContact N-OD2 2.97Å; S113-D116 WeakPolarHBondContact O-CB 3.26Å; S113-D116 PolarHBondContact O-N 3.16Å; S113-D116 VanDerWaalsContact O-N 3.13Å; S113-D116 PolarHBondContact OG-OD2 3.46Å; F114-D116 VanDerWaalsContact C-N 3.26Å; F114-D116 PolarHBondContact O-N 3.15Å; D116-G118 PolarHBondContact O-N 3.15Å; D116-R119 WeakPolarHBondContact O-CB 3.38Å; D116-R119 WeakPolarHBondContact O-CG 3.35Å; D116-R119 PolarHBondContact O-N 3.26Å; D116-R119 VanDerWaalsContact O-N 3.07Å; D116-R119 IonicContact OD1-CZ 3.76Å; D116-R119 IonicContact OD1-NE 3.68Å; D116-R119 IonicContact OD1-NH1 3.05Å; D116-R119 PolarHBondContact OD1-NH1 3Å; D116-R119 IonicContact OD1-NH2 2.72Å; D116-R119 PolarHBondContact OD1-NH2 3.18Å
117	T	91.3	Very high	94.2	Very high	22 Å²	22	70.8 Å²	70.8	14%	0.135	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-67.7	-17.1	-176.1	67.6	0	0	0	0	113.2	Y106 M112 F114 D115 R119	Y106-T117 PolarHBondContact OH-O 3.34Å; M112-T117 HydrophobicContact CE-CG2 3.94Å; F114-T117 HydrophobicContact CD1-CG2 4.33Å; F114-T117 WeakPolarHBondContact O-CB 3.05Å; F114-T117 WeakPolarHBondContact O-CG2 3.4Å; F114-T117 PolarHBondContact O-N 3.43Å; F114-T117 PolarHBondContact O-OG1 3.13Å; D115-T117 VanDerWaalsContact C-N 3.25Å; D115-T117 PolarHBondContact O-N 3.3Å; T117-R119 PolarHBondContact O-N 3.4Å
118	G	89.7	Confident	94.2	Very high	77 Å²	77	73.3 Å²	73.3	79%	0.794	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12.3	171.8	0	0	0	0	0	114.2	D116	D116-G118 PolarHBondContact O-N 3.15Å
119	R	92.8	Very high	94.2	Very high	137 Å²	137	75.6 Å²	75.6	52%	0.517	39%	0.389	S	S	.	.	S	Bend	trans	-72.1	155.9	173.9	-63.2	-179.4	-174.9	160.4	15.3	111.1	Y106 D116 T117 P121	Y106-R119 HydrophobicContact CE1-CB 4.45Å; D116-R119 WeakPolarHBondContact O-CB 3.38Å; D116-R119 WeakPolarHBondContact O-CG 3.35Å; D116-R119 PolarHBondContact O-N 3.26Å; D116-R119 VanDerWaalsContact O-N 3.07Å; D116-R119 IonicContact OD1-CZ 3.76Å; D116-R119 IonicContact OD1-NE 3.68Å; D116-R119 IonicContact OD1-NH1 3.05Å; D116-R119 PolarHBondContact OD1-NH1 3Å; D116-R119 IonicContact OD1-NH2 2.72Å; D116-R119 PolarHBondContact OD1-NH2 3.18Å; T117-R119 PolarHBondContact O-N 3.4Å; R119-P121 WeakPolarHBondContact O-CD 3.29Å
120	E	94.6	Very high	94.2	Very high	169 Å²	169	74.5 Å²	74.5	79%	0.79	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-63.5	121.3	173.9	-172.1	174	112.1	0	0	109.8
121	P	96.7	Very high	94.2	Very high	29 Å²	29	71.7 Å²	71.7	19%	0.188	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-69.7	147.9	174.8	28.9	-33.8	0	0	0	110.6	R104 Y106 R119 Q123 A124	R104-P121 HydrophobicContact CB-CB 3.96Å; R104-P121 HydrophobicContact CB-CG 4.38Å; R104-P121 HydrophobicContact CG-CB 4.48Å; R104-P121 HydrophobicContact CG-CG 4.37Å; Y106-P121 HydrophobicContact CD1-CB 4.33Å; Y106-P121 HydrophobicContact CE1-CB 3.82Å; Y106-P121 HydrophobicContact CE2-CB 4.18Å; R119-P121 WeakPolarHBondContact O-CD 3.29Å; P121-Q123 PolarHBondContact O-N 3.21Å; P121-A124 HydrophobicContact CG-CB 4.16Å
122	E	96.4	Very high	94.2	Very high	69 Å²	69	68.9 Å²	68.9	32%	0.322	35%	0.354	S	S	.	.	S	Bend	trans	-58.5	-37.8	174.3	-74.7	-67.6	169.4	0	0	111.1	L105 K107 R143 F144	L105-E122 PolarHBondContact O-N 3.17Å; K107-E122 HydrophobicContact CB-CG 3.89Å; E122-R143 VanDerWaalsContact O-CD 3.24Å; E122-R143 WeakPolarHBondContact O-CD 3.1Å; E122-R143 PolarHBondContact O-NH1 3.42Å; E122-F144 HydrophobicContact CB-CE1 3.86Å; E122-F144 HydrophobicContact CB-CE2 4.1Å; E122-F144 HydrophobicContact CB-CZ 3.42Å; E122-F144 VanDerWaalsContact CB-CZ 3.42Å; E122-F144 HydrophobicContact CG-CZ 4.49Å
123	Q	97.1	Very high	94.1	Very high	25 Å²	25	68.9 Å²	68.9	12%	0.117	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	142.2	171.5	-171	161.4	-32.2	0	0	110.3	L105 P121 F125 P138 K140 F144	L105-Q123 PolarHBondContact N-O 2.65Å; P121-Q123 PolarHBondContact O-N 3.21Å; Q123-F125 HydrophobicContact CB-CE2 4.48Å; Q123-F125 HydrophobicContact CG-CE1 4.3Å; Q123-F125 HydrophobicContact CG-CE2 3.93Å; Q123-F125 HydrophobicContact CG-CZ 3.86Å; Q123-P138 PolarHBondContact NE2-O 3.19Å; Q123-K140 VanDerWaalsContact OE1-CG 3.24Å; Q123-F144 HydrophobicContact CB-CE2 3.62Å; Q123-F144 HydrophobicContact CB-CZ 3.79Å
124	A	97.1	Very high	93.8	Very high	55 Å²	55	73.1 Å²	73.1	46%	0.455	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148	172.8	0	0	0	0	0	109.9	M103 R104 P121	M103-A124 CarbonylContact O-C 3.53Å; M103-A124 WeakPolarHBondContact O-CA 3.37Å; R104-A124 HydrophobicContact CG-CB 4.07Å; P121-A124 HydrophobicContact CG-CB 4.16Å
125	F	97.1	Very high	93.7	Very high	23 Å²	23	72.9 Å²	72.9	10%	0.101	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.7	-180	-62	-83.1	0	0	0	110	I89 E102 M103 L105 Q123 L127 Y137 P138 T139	I89-F125 HydrophobicContact CG2-CE2 4.32Å; E102-F125 WeakPolarHBondContact CA-O 3.47Å; M103-F125 HydrophobicContact CE-CB 4.29Å; M103-F125 HydrophobicContact CE-CD2 3.43Å; M103-F125 VanDerWaalsContact CE-CD2 3.43Å; M103-F125 HydrophobicContact CE-CE2 3.97Å; M103-F125 HydrophobicContact CE-CG 4.13Å; M103-F125 PolarHBondContact N-O 2.98Å; M103-F125 PolarHBondContact O-N 3.1Å; L105-F125 HydrophobicContact CD1-CD2 4.49Å; L105-F125 HydrophobicContact CD1-CE2 3.72Å; L105-F125 HydrophobicContact CG-CE2 4.2Å; Q123-F125 HydrophobicContact CB-CE2 4.48Å; Q123-F125 HydrophobicContact CG-CE1 4.3Å; Q123-F125 HydrophobicContact CG-CE2 3.93Å; Q123-F125 HydrophobicContact CG-CZ 3.86Å; F125-L127 HydrophobicContact CB-CD2 4Å; F125-Y137 HydrophobicContact CB-CD1 4.26Å; F125-Y137 AromaticContact CD1-CD1 3.94Å; F125-Y137 HydrophobicContact CD1-CD1 3.94Å; F125-Y137 HydrophobicContact CD1-CG 4.29Å; F125-Y137 HydrophobicContact CG-CD1 4.31Å; F125-Y137 HydrophobicContact CG-CG 4.49Å; F125-P138 WeakPolarHBondContact CE1-O 3.41Å; F125-P138 WeakPolarHBondContact CZ-O 3.24Å; F125-T139 HydrophobicContact CE2-CG2 4.28Å; F125-T139 HydrophobicContact CZ-CG2 4.01Å
126	R	96.6	Very high	93.7	Very high	212 Å²	212	68.5 Å²	68.5	80%	0.8	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	122	160.2	-68.5	-175.5	177.3	-173.9	-1	107.2	A101	A101-R126 WeakPolarHBondContact O-CA 3.44Å
127	L	95.4	Very high	93.8	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.042	34%	0.343	C	S	.	.			trans	-91.1	157.3	-176	-54.9	179.6	0	0	0	110.2	L91 P100 A101 M103 F125 Y137 F158	L91-L127 HydrophobicContact CD1-CD1 4.41Å; L91-L127 HydrophobicContact CD2-CD1 4.43Å; P100-L127 HydrophobicContact CB-CD1 3.62Å; P100-L127 WeakPolarHBondContact O-CB 3.29Å; A101-L127 PolarHBondContact O-N 3.17Å; M103-L127 HydrophobicContact CB-CD1 3.82Å; M103-L127 HydrophobicContact CB-CD2 4.24Å; M103-L127 HydrophobicContact CB-CG 4.19Å; M103-L127 HydrophobicContact CE-CD2 4.21Å; F125-L127 HydrophobicContact CB-CD2 4Å; L127-Y137 VanDerWaalsContact CA-OH 3.26Å; L127-Y137 WeakPolarHBondContact CA-OH 3.24Å; L127-Y137 HydrophobicContact CD2-CD1 4.05Å; L127-Y137 HydrophobicContact CD2-CD2 3.8Å; L127-Y137 HydrophobicContact CD2-CE1 3.71Å; L127-Y137 HydrophobicContact CD2-CE2 3.44Å; L127-Y137 VanDerWaalsContact CD2-CE2 3.44Å; L127-Y137 HydrophobicContact CD2-CG 4.08Å; L127-F158 WeakPolarHBondContact O-CZ 3.27Å
128	N	94.7	Very high	94.1	Very high	96 Å²	96	71.2 Å²	71.2	51%	0.513	36%	0.362	S	S	.	.			trans	-112.2	155.8	171.3	-67.8	34.5	0	0	0	107.3	H99 D130 L135 Y137	H99-N128 PolarHBondContact CE1-O 3.37Å; N128-D130 PolarHBondContact O-N 2.92Å; N128-D130 VanDerWaalsContact O-N 3.17Å; N128-L135 HydrophobicContact CB-CD2 3.77Å; N128-Y137 PolarHBondContact N-OH 2.61Å
129	R	94	Very high	94.3	Very high	112 Å²	112	68 Å²	68	42%	0.423	33%	0.327	S	S	.	.			trans	-63.7	117.7	173	-61.8	-176	-173.1	174.7	-1.1	109.1	E97 H99 F158	E97-R129 IonicContact OE1-NH2 3.53Å; H99-R129 HydrophobicContact CB-CG 4.19Å; R129-F158 HydrophobicContact CG-CD2 3.73Å; R129-F158 HydrophobicContact CG-CE1 4.37Å; R129-F158 HydrophobicContact CG-CE2 3.49Å; R129-F158 VanDerWaalsContact CG-CE2 3.49Å; R129-F158 HydrophobicContact CG-CG 4.29Å; R129-F158 HydrophobicContact CG-CZ 3.85Å
130	D	92.8	Very high	94.5	Very high	14 Å²	14	67.2 Å²	67.2	8%	0.075	33%	0.327	C	S	.	.			trans	-145.5	79.2	-178.8	178.7	29.2	0	0	0	110.2	A92 H99 N128 L132 A133 Q134 L135	A92-D130 WeakPolarHBondContact CA-O 3.34Å; H99-D130 PolarHBondContact NE2-N 2.86Å; N128-D130 PolarHBondContact O-N 2.92Å; N128-D130 VanDerWaalsContact O-N 3.17Å; D130-L132 PolarHBondContact O-N 3.07Å; D130-L132 VanDerWaalsContact O-N 3.13Å; D130-L132 PolarHBondContact OD1-N 2.83Å; D130-A133 PolarHBondContact O-N 3.45Å; D130-A133 PolarHBondContact OD1-N 3.14Å; D130-A133 VanDerWaalsContact OD2-C 3.28Å; D130-A133 VanDerWaalsContact OD2-CA 3.22Å; D130-A133 WeakPolarHBondContact OD2-CA 3.39Å; D130-A133 PolarHBondContact OD2-N 2.81Å; D130-Q134 PolarHBondContact OD1-N 2.87Å; D130-Q134 PolarHBondContact OD2-N 2.87Å; D130-L135 HydrophobicContact CB-CB 4.26Å; D130-L135 WeakPolarHBondContact OD2-CB 3.48Å; D130-L135 PolarHBondContact OD2-N 2.97Å
131	P	91.3	Very high	94.4	Very high	32 Å²	32	63 Å²	63	21%	0.208	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.1	179.8	29.1	-36.5	0	0	0	113.3	D95	D95-P131 HydrophobicContact CB-CB 4.08Å; D95-P131 HydrophobicContact CB-CG 4.09Å
132	L	90.7	Very high	94.2	Very high	84 Å²	84	65.9 Å²	65.9	44%	0.44	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	2.8	-175.3	-62.4	-178.5	0	0	0	114	T60 D130 Q134	T60-L132 HydrophobicContact CG2-CD2 4.38Å; D130-L132 PolarHBondContact O-N 3.07Å; D130-L132 VanDerWaalsContact O-N 3.13Å; D130-L132 PolarHBondContact OD1-N 2.83Å; L132-Q134 VanDerWaalsContact C-N 3.29Å; L132-Q134 HydrophobicContact CB-CG 3.9Å; L132-Q134 PolarHBondContact O-N 2.86Å
133	A	91.6	Very high	94.1	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	53.5	44	-179.2	0	0	0	0	0	112.7	W56 R59 I90 A92 D130 Y167	W56-A133 WeakPolarHBondContact CH2-O 3.47Å; R59-A133 HydrophobicContact CB-CB 4.14Å; R59-A133 HydrophobicContact CG-CB 4.15Å; I90-A133 HydrophobicContact CG2-CB 3.44Å; I90-A133 VanDerWaalsContact CG2-CB 3.44Å; A92-A133 HydrophobicContact CB-CB 3.82Å; D130-A133 PolarHBondContact O-N 3.45Å; D130-A133 PolarHBondContact OD1-N 3.14Å; D130-A133 VanDerWaalsContact OD2-C 3.28Å; D130-A133 VanDerWaalsContact OD2-CA 3.22Å; D130-A133 WeakPolarHBondContact OD2-CA 3.39Å; D130-A133 PolarHBondContact OD2-N 2.81Å; A133-Y167 HydrophobicContact CB-CD1 3.79Å; A133-Y167 HydrophobicContact CB-CE1 4.28Å
134	Q	89.4	Confident	94	Very high	134 Å²	134	66.3 Å²	66.3	63%	0.626	33%	0.334	S	S	*	.			trans	-92.5	-24.8	177	-64.1	-176.4	-5.1	0	0	113.1	D130 L132	D130-Q134 PolarHBondContact OD1-N 2.87Å; D130-Q134 PolarHBondContact OD2-N 2.87Å; L132-Q134 VanDerWaalsContact C-N 3.29Å; L132-Q134 HydrophobicContact CB-CG 3.9Å; L132-Q134 PolarHBondContact O-N 2.86Å
135	L	92.3	Very high	93.8	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.335	33%	0.329	S	S	.	.			trans	-94	115	-174.3	-175.8	57.3	0	0	0	110.9	N128 D130 Y137	N128-L135 HydrophobicContact CB-CD2 3.77Å; D130-L135 HydrophobicContact CB-CB 4.26Å; D130-L135 WeakPolarHBondContact OD2-CB 3.48Å; D130-L135 PolarHBondContact OD2-N 2.97Å; L135-Y137 HydrophobicContact CD2-CE1 4.21Å; L135-Y137 HydrophobicContact CD2-CE2 4.31Å; L135-Y137 WeakPolarHBondContact CD2-OH 3.5Å; L135-Y137 HydrophobicContact CG-CE1 4.39Å; L135-Y137 HydrophobicContact CG-CE2 4.11Å
136	E	93.3	Very high	93.6	Very high	53 Å²	53	69.3 Å²	69.3	25%	0.248	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.1	173.6	-177.7	171.8	101.5	0	0	112.7	Y27 I90 P138 R171	Y27-E136 PolarHBondContact OH-OE2 3.27Å; I90-E136 HydrophobicContact CD1-CB 4.09Å; I90-E136 HydrophobicContact CG1-CB 3.93Å; I90-E136 HydrophobicContact CG1-CG 4.2Å; E136-P138 WeakPolarHBondContact O-CD 3.48Å; E136-R171 VanDerWaalsContact CD-NE 3.25Å; E136-R171 IonicContact OE1-CZ 3.28Å; E136-R171 IonicContact OE1-NE 3.21Å; E136-R171 PolarHBondContact OE1-NE 2.99Å; E136-R171 IonicContact OE1-NH2 3.59Å; E136-R171 PolarHBondContact OE1-NH2 3.15Å; E136-R171 VanDerWaalsContact OE2-CD 3.28Å; E136-R171 WeakPolarHBondContact OE2-CD 3.46Å; E136-R171 IonicContact OE2-CZ 3.54Å; E136-R171 IonicContact OE2-NE 2.74Å; E136-R171 PolarHBondContact OE2-NE 3.13Å; E136-R171 IonicContact OE2-NH2 3.62Å
137	Y	95.8	Very high	93.5	Very high	20 Å²	20	59.2 Å²	59.2	8%	0.078	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	103.1	171.2	-61.7	-80.8	0	0	0	110.3	G88 I89 F125 L127 N128 L135	G88-Y137 WeakPolarHBondContact CA-O 3.39Å; I89-Y137 PolarHBondContact N-O 3.43Å; I89-Y137 PolarHBondContact O-N 3.04Å; F125-Y137 HydrophobicContact CB-CD1 4.26Å; F125-Y137 AromaticContact CD1-CD1 3.94Å; F125-Y137 HydrophobicContact CD1-CD1 3.94Å; F125-Y137 HydrophobicContact CD1-CG 4.29Å; F125-Y137 HydrophobicContact CG-CD1 4.31Å; F125-Y137 HydrophobicContact CG-CG 4.49Å; L127-Y137 VanDerWaalsContact CA-OH 3.26Å; L127-Y137 WeakPolarHBondContact CA-OH 3.24Å; L127-Y137 HydrophobicContact CD2-CD1 4.05Å; L127-Y137 HydrophobicContact CD2-CD2 3.8Å; L127-Y137 HydrophobicContact CD2-CE1 3.71Å; L127-Y137 HydrophobicContact CD2-CE2 3.44Å; L127-Y137 VanDerWaalsContact CD2-CE2 3.44Å; L127-Y137 HydrophobicContact CD2-CG 4.08Å; N128-Y137 PolarHBondContact N-OH 2.61Å; L135-Y137 HydrophobicContact CD2-CE1 4.21Å; L135-Y137 HydrophobicContact CD2-CE2 4.31Å; L135-Y137 WeakPolarHBondContact CD2-OH 3.5Å; L135-Y137 HydrophobicContact CG-CE1 4.39Å; L135-Y137 HydrophobicContact CG-CE2 4.11Å
138	P	95.9	Very high	93.5	Very high	82 Å²	82	61.8 Å²	61.8	53%	0.532	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.7	-178.9	27.6	-34.3	0	0	0	111.4	Q123 F125 E136	Q123-P138 PolarHBondContact NE2-O 3.19Å; F125-P138 WeakPolarHBondContact CE1-O 3.41Å; F125-P138 WeakPolarHBondContact CZ-O 3.24Å; E136-P138 WeakPolarHBondContact O-CD 3.48Å
139	T	95.6	Very high	93.5	Very high	10 Å²	10	58.4 Å²	58.4	6%	0.061	30%	0.304	C	S	.	.			trans	-91.9	149.5	176.8	53.8	0	0	0	0	110.9	L86 K87 G88 I89 L105 F125 I141 F144	L86-T139 HydrophobicContact CD2-CG2 3.87Å; L86-T139 HydrophobicContact CG-CG2 4.17Å; L86-T139 PolarHBondContact O-OG1 2.61Å; K87-T139 WeakPolarHBondContact CA-OG1 3.37Å; K87-T139 PolarHBondContact N-OG1 2.99Å; K87-T139 PolarHBondContact O-N 2.66Å; K87-T139 PolarHBondContact O-OG1 3.43Å; G88-T139 PolarHBondContact N-OG1 3.15Å; I89-T139 HydrophobicContact CG2-CG2 4.41Å; L105-T139 HydrophobicContact CD1-CG2 3.82Å; F125-T139 HydrophobicContact CE2-CG2 4.28Å; F125-T139 HydrophobicContact CZ-CG2 4.01Å; T139-I141 PolarHBondContact O-N 3.05Å; T139-F144 HydrophobicContact CG2-CD2 4.35Å; T139-F144 HydrophobicContact CG2-CE2 4.44Å
140	K	95.5	Very high	93.6	Very high	120 Å²	120	53.1 Å²	53.1	52%	0.522	28%	0.284	S	S	.	.			trans	-70.4	97.2	171.6	-72.4	172.3	-175.9	176.1	0	109.3	Q123 A142 R143 F144	Q123-K140 VanDerWaalsContact OE1-CG 3.24Å; K140-A142 PolarHBondContact O-N 3.43Å; K140-R143 HydrophobicContact CB-CB 4.4Å; K140-R143 HydrophobicContact CB-CG 4.27Å; K140-R143 WeakPolarHBondContact O-CA 3.45Å; K140-R143 PolarHBondContact O-N 2.82Å; K140-F144 WeakPolarHBondContact O-CD2 3.24Å; K140-F144 PolarHBondContact O-N 2.83Å; K140-F144 VanDerWaalsContact O-N 3.1Å
141	I	93.3	Very high	93.9	Very high	80 Å²	80	52.4 Å²	52.4	41%	0.41	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-37.7	-177.1	-62.3	173.8	0	0	0	112.5	K85 K87 T139 R143 F144 S145	K85-I141 HydrophobicContact CD-CG2 3.73Å; K85-I141 HydrophobicContact CG-CG2 3.78Å; K87-I141 HydrophobicContact CG-CD1 4.02Å; K87-I141 HydrophobicContact CG-CG1 4.22Å; T139-I141 PolarHBondContact O-N 3.05Å; I141-R143 VanDerWaalsContact C-N 3.3Å; I141-R143 PolarHBondContact O-N 2.94Å; I141-F144 CarbonylContact O-C 3.12Å; I141-F144 PolarHBondContact O-N 2.74Å; I141-S145 PolarHBondContact O-N 3.15Å
142	A	92.8	Very high	94.2	Very high	91 Å²	91	50.9 Å²	50.9	75%	0.752	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-40.9	177.1	0	0	0	0	0	112.8	K140 S145	K140-A142 PolarHBondContact O-N 3.43Å; A142-S145 PolarHBondContact O-OG 2.83Å
143	R	93.1	Very high	94.5	Very high	103 Å²	103	46.9 Å²	46.9	39%	0.389	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-40	177.7	-63.7	-166.9	176.9	-163.3	-9.6	111.6	K107 E122 K140 I141 S145	K107-R143 VanDerWaalsContact CD-O 3.27Å; K107-R143 WeakPolarHBondContact CD-O 3.44Å; K107-R143 PolarHBondContact NZ-O 3Å; E122-R143 VanDerWaalsContact O-CD 3.24Å; E122-R143 WeakPolarHBondContact O-CD 3.1Å; E122-R143 PolarHBondContact O-NH1 3.42Å; K140-R143 HydrophobicContact CB-CB 4.4Å; K140-R143 HydrophobicContact CB-CG 4.27Å; K140-R143 WeakPolarHBondContact O-CA 3.45Å; K140-R143 PolarHBondContact O-N 2.82Å; I141-R143 VanDerWaalsContact C-N 3.3Å; I141-R143 PolarHBondContact O-N 2.94Å; R143-S145 PolarHBondContact O-N 2.77Å
144	F	95.4	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	33.9	-177.8	-60.1	-87.8	0	0	0	114.3	K85 L86 L105 E122 Q123 T139 K140 I141 V147 L150	K85-F144 WeakPolarHBondContact CA-O 3.43Å; L86-F144 HydrophobicContact CB-CB 3.82Å; L86-F144 HydrophobicContact CB-CG 4.47Å; L86-F144 HydrophobicContact CD2-CD1 4.18Å; L86-F144 HydrophobicContact CD2-CG 4.46Å; L86-F144 PolarHBondContact N-O 2.74Å; L105-F144 HydrophobicContact CB-CE1 3.76Å; L105-F144 HydrophobicContact CB-CZ 3.65Å; L105-F144 HydrophobicContact CD1-CE1 4.11Å; L105-F144 HydrophobicContact CD1-CZ 3.94Å; L105-F144 HydrophobicContact CG-CZ 4.46Å; E122-F144 HydrophobicContact CB-CE1 3.86Å; E122-F144 HydrophobicContact CB-CE2 4.1Å; E122-F144 HydrophobicContact CB-CZ 3.42Å; E122-F144 VanDerWaalsContact CB-CZ 3.42Å; E122-F144 HydrophobicContact CG-CZ 4.49Å; Q123-F144 HydrophobicContact CB-CE2 3.62Å; Q123-F144 HydrophobicContact CB-CZ 3.79Å; T139-F144 HydrophobicContact CG2-CD2 4.35Å; T139-F144 HydrophobicContact CG2-CE2 4.44Å; K140-F144 WeakPolarHBondContact O-CD2 3.24Å; K140-F144 PolarHBondContact O-N 2.83Å; K140-F144 VanDerWaalsContact O-N 3.1Å; I141-F144 CarbonylContact O-C 3.12Å; I141-F144 PolarHBondContact O-N 2.74Å; F144-V147 HydrophobicContact CB-CG2 4.04Å; F144-V147 HydrophobicContact CD1-CG2 4.29Å; F144-V147 WeakPolarHBondContact O-CG2 3.22Å; F144-L150 HydrophobicContact CE1-CD1 4.39Å
145	S	92.3	Very high	95.1	Very high	50 Å²	50	40.9 Å²	40.9	35%	0.35	22%	0.222	S	C	.	.	S	Bend	trans	-86	139.4	165.6	60.7	0	0	0	0	109.7	K107 I141 A142 R143	K107-S145 WeakPolarHBondContact CE-O 3.43Å; K107-S145 PolarHBondContact NZ-O 2.84Å; I141-S145 PolarHBondContact O-N 3.15Å; A142-S145 PolarHBondContact O-OG 2.83Å; R143-S145 PolarHBondContact O-N 2.77Å
146	N	92.9	Very high	95.2	Very high	90 Å²	90	45 Å²	45	48%	0.481	23%	0.233	S	C	.	.	S	Bend	trans	59.5	53.9	179.2	-168.2	33.5	0	0	0	114.5	S83 V84 K107 N108	S83-N146 WeakPolarHBondContact CB-OD1 3.44Å; S83-N146 WeakPolarHBondContact OG-CA 3.27Å; S83-N146 PolarHBondContact OG-OD1 3.21Å; V84-N146 PolarHBondContact O-N 2.8Å; K107-N146 WeakPolarHBondContact CE-O 3.44Å; N108-N146 PolarHBondContact ND2-O 3.01Å; N108-N146 VanDerWaalsContact ND2-O 3.11Å
147	V	95.4	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.8	173.2	-173.5	0	0	0	0	108.7	F80 V84 K107 F144 H149 L150	F80-V147 HydrophobicContact CD2-CG1 4.19Å; F80-V147 HydrophobicContact CE2-CG1 3.84Å; V84-V147 HydrophobicContact CB-CB 4.43Å; V84-V147 PolarHBondContact N-O 2.95Å; V84-V147 WeakPolarHBondContact O-CB 3.27Å; V84-V147 PolarHBondContact O-N 2.96Å; K107-V147 HydrophobicContact CD-CG2 3.98Å; K107-V147 HydrophobicContact CG-CB 4.48Å; K107-V147 HydrophobicContact CG-CG1 4.28Å; K107-V147 HydrophobicContact CG-CG2 4.04Å; F144-V147 HydrophobicContact CB-CG2 4.04Å; F144-V147 HydrophobicContact CD1-CG2 4.29Å; F144-V147 WeakPolarHBondContact O-CG2 3.22Å; V147-H149 WeakPolarHBondContact CG1-O 3.42Å; V147-L150 HydrophobicContact CG1-CB 3.95Å
148	N	94.5	Very high	95.2	Very high	63 Å²	63	45.7 Å²	45.7	34%	0.337	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-27.2	172.9	-58.7	-71.2	0	0	0	111.2	F80 G82 N108	F80-N148 PolarHBondContact N-O 2.87Å; G82-N148 PolarHBondContact O-OD1 3.26Å; N108-N148 PolarHBondContact OD1-N 3.21Å
149	H	95.6	Very high	94.9	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.116	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.4	173.3	-164.7	-83.1	0	0	0	108.4	N77 I78 N108 I109 V147	N77-H149 PolarHBondContact OD1-CE1 3.17Å; I78-H149 WeakPolarHBondContact O-CA 3.4Å; N108-H149 PolarHBondContact N-O 3Å; N108-H149 PolarHBondContact OD1-N 2.79Å; I109-H149 PolarHBondContact O-CE1 3.28Å; I109-H149 PolarHBondContact O-ND1 3.01Å; V147-H149 WeakPolarHBondContact CG1-O 3.42Å
150	L	97.1	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.6	175.3	175.7	69.1	0	0	0	108.2	I78 F80 L86 F144 V147 I152 L170	I78-L150 WeakPolarHBondContact CA-O 3.34Å; I78-L150 HydrophobicContact CB-CB 4.35Å; I78-L150 VanDerWaalsContact CB-O 3.32Å; I78-L150 WeakPolarHBondContact CB-O 3.05Å; I78-L150 HydrophobicContact CD1-CD2 4.22Å; I78-L150 HydrophobicContact CD1-CG 4.47Å; I78-L150 PolarHBondContact N-O 3.24Å; I78-L150 PolarHBondContact O-N 2.85Å; F80-L150 HydrophobicContact CE2-CB 3.67Å; F80-L150 HydrophobicContact CZ-CB 4.16Å; F80-L150 HydrophobicContact CZ-CD2 4.27Å; L86-L150 HydrophobicContact CD2-CD1 4.27Å; L86-L150 HydrophobicContact CD2-CD2 4.11Å; F144-L150 HydrophobicContact CE1-CD1 4.39Å; V147-L150 HydrophobicContact CG1-CB 3.95Å; L150-I152 HydrophobicContact CD2-CD1 4.1Å; L150-I152 HydrophobicContact CD2-CG1 4.07Å; L150-I152 HydrophobicContact CG-CG1 4.03Å; L150-L170 HydrophobicContact CD2-CD1 4.15Å; L150-L170 HydrophobicContact CD2-CD2 4.07Å
151	S	97.6	Very high	94.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125	170.1	-55.5	0	0	0	0	109.5	F76 N77 Y106 I109 M112	F76-S151 CarbonylContact O-C 3.58Å; F76-S151 WeakPolarHBondContact O-CA 3.35Å; N77-S151 PolarHBondContact OD1-OG 2.99Å; Y106-S151 PolarHBondContact N-O 2.75Å; Y106-S151 PolarHBondContact O-N 3.39Å; I109-S151 PolarHBondContact O-OG 2.68Å; M112-S151 WeakPolarHBondContact CB-OG 3.49Å; M112-S151 VanDerWaalsContact SD-CB 3.56Å
152	I	97.4	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.4	178.8	-52.7	-179.2	0	0	0	107	L75 F76 I78 I89 M103 L105 L150 I168 L170	L75-I152 WeakPolarHBondContact CA-O 3.24Å; F76-I152 HydrophobicContact CB-CB 4.24Å; F76-I152 HydrophobicContact CD2-CB 4.32Å; F76-I152 PolarHBondContact N-O 2.88Å; F76-I152 PolarHBondContact O-N 3.33Å; I78-I152 HydrophobicContact CD1-CD1 3.41Å; I78-I152 VanDerWaalsContact CD1-CD1 3.41Å; I78-I152 HydrophobicContact CD1-CG1 3.75Å; I89-I152 HydrophobicContact CD1-CD1 3.63Å; M103-I152 HydrophobicContact CG-CG2 3.74Å; M103-I152 HydrophobicContact SD-CG2 3.76Å; L105-I152 HydrophobicContact CD2-CB 4.25Å; L105-I152 HydrophobicContact CD2-CG1 3.86Å; L105-I152 HydrophobicContact CD2-CG2 4.01Å; L150-I152 HydrophobicContact CD2-CD1 4.1Å; L150-I152 HydrophobicContact CD2-CG1 4.07Å; L150-I152 HydrophobicContact CG-CG1 4.03Å; I152-I168 HydrophobicContact CD1-CG2 4.04Å; I152-L170 HydrophobicContact CD1-CD2 4.36Å
153	H	97.9	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.6	175.2	177.7	-146.1	0	0	0	108.8	E73 L74 L75 M103 R104 Y106	E73-H153 IonicContact OE1-CE1 2.72Å; E73-H153 PolarHBondContact OE1-CE1 2.72Å; E73-H153 IonicContact OE1-NE2 3.11Å; E73-H153 PolarHBondContact OE1-NE2 2.57Å; L74-H153 WeakPolarHBondContact O-CA 3.18Å; L75-H153 HydrophobicContact CD1-CB 3.71Å; M103-H153 CarbonylContact C-O 3.58Å; M103-H153 WeakPolarHBondContact CA-O 3.21Å; R104-H153 HydrophobicContact CB-CB 4.26Å; R104-H153 PolarHBondContact N-O 3.49Å; R104-H153 PolarHBondContact O-N 2.66Å; Y106-H153 HydrophobicContact CE2-CB 3.96Å
154	I	97.4	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.3	166.2	-58.8	173.8	0	0	0	105.7	E73 L74 F76 L91 P100 E102 T163 V165	E73-I154 VanDerWaalsContact CA-O 3.24Å; E73-I154 WeakPolarHBondContact CA-O 3.43Å; L74-I154 HydrophobicContact CB-CB 4.31Å; L74-I154 HydrophobicContact CB-CD1 4.39Å; L74-I154 HydrophobicContact CD1-CD1 4.49Å; L74-I154 PolarHBondContact N-O 3.37Å; L74-I154 PolarHBondContact O-N 3.48Å; F76-I154 HydrophobicContact CE2-CD1 3.9Å; L91-I154 HydrophobicContact CD1-CD1 3.9Å; P100-I154 HydrophobicContact CB-CD1 4.31Å; P100-I154 HydrophobicContact CB-CG2 3.76Å; P100-I154 HydrophobicContact CG-CD1 3.95Å; P100-I154 HydrophobicContact CG-CG2 4.19Å; E102-I154 WeakPolarHBondContact O-CA 3.37Å; I154-T163 HydrophobicContact CG2-CG2 4.05Å; I154-V165 HydrophobicContact CD1-CG2 3.62Å
155	S	95.9	Very high	94.9	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-23.6	-172.8	54.5	0	0	0	0	112.9	E102	E102-S155 WeakPolarHBondContact CB-OG 3Å; E102-S155 VanDerWaalsContact CD-OG 3.28Å; E102-S155 VanDerWaalsContact CG-OG 3.3Å; E102-S155 WeakPolarHBondContact CG-OG 3.2Å; E102-S155 PolarHBondContact O-N 2.57Å; E102-S155 VanDerWaalsContact O-N 3.15Å; E102-S155 PolarHBondContact OE1-OG 3.06Å
156	R	95.1	Very high	95.1	Very high	151 Å²	151	39.4 Å²	39.4	57%	0.57	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.9	-177.2	-65.6	-171.7	176.7	178.2	-2.6	111.9	A101 E102	A101-R156 PolarHBondContact N-O 3.19Å; E102-R156 HydrophobicContact CB-CB 4.17Å; E102-R156 PolarHBondContact N-O 3.4Å; E102-R156 VanDerWaalsContact N-O 3.11Å
157	N	95	Very high	95.2	Very high	15 Å²	15	35.2 Å²	35.2	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-168	164.2	66	31.2	0	0	0	111.1	E72 H99 A101 G159 T160 S162 T163	E72-N157 HydrophobicContact CB-CB 4.47Å; E72-N157 WeakPolarHBondContact CB-ND2 3.16Å; H99-N157 VanDerWaalsContact O-CA 3.27Å; H99-N157 WeakPolarHBondContact O-CA 3.41Å; H99-N157 VanDerWaalsContact O-CB 3.23Å; H99-N157 WeakPolarHBondContact O-CB 3.35Å; A101-N157 VanDerWaalsContact CB-O 3.24Å; A101-N157 WeakPolarHBondContact CB-O 3.4Å; N157-G159 PolarHBondContact OD1-N 3.37Å; N157-T160 PolarHBondContact ND2-O 2.81Å; N157-T160 PolarHBondContact ND2-OG1 3.26Å; N157-T160 VanDerWaalsContact ND2-OG1 3.09Å; N157-T160 PolarHBondContact OD1-N 2.86Å; N157-T160 PolarHBondContact OD1-O 2.92Å; N157-T160 VanDerWaalsContact OD1-O 3.13Å; N157-S162 PolarHBondContact ND2-O 2.77Å; N157-T163 WeakPolarHBondContact CB-OG1 3.3Å; N157-T163 PolarHBondContact ND2-OG1 3.19Å
158	F	92.4	Very high	95.2	Very high	72 Å²	72	35.2 Å²	35.2	32%	0.316	18%	0.179	S	C	.	.	S	Bend	trans	-84.9	-1.5	-177.2	-79	-85.4	0	0	0	115	E97 H99 P100 A101 L127 R129	E97-F158 HydrophobicContact CB-CB 4.32Å; E97-F158 WeakPolarHBondContact O-CA 3.48Å; E97-F158 WeakPolarHBondContact O-CB 3.49Å; E97-F158 PolarHBondContact O-N 2.72Å; H99-F158 HydrophobicContact CB-CD2 3.95Å; H99-F158 HydrophobicContact CB-CE2 4.27Å; H99-F158 AromaticContact ND1-CE2 3.8Å; H99-F158 VanDerWaalsContact O-CD2 3.24Å; H99-F158 WeakPolarHBondContact O-CD2 3.23Å; H99-F158 PolarHBondContact O-N 3.05Å; P100-F158 WeakPolarHBondContact O-CE2 3.36Å; A101-F158 HydrophobicContact CB-CD1 4.28Å; A101-F158 HydrophobicContact CB-CD2 3.84Å; A101-F158 HydrophobicContact CB-CE1 4.29Å; A101-F158 HydrophobicContact CB-CE2 3.83Å; A101-F158 HydrophobicContact CB-CG 4.05Å; A101-F158 HydrophobicContact CB-CZ 4.06Å; L127-F158 WeakPolarHBondContact O-CZ 3.27Å; R129-F158 HydrophobicContact CG-CD2 3.73Å; R129-F158 HydrophobicContact CG-CE1 4.37Å; R129-F158 HydrophobicContact CG-CE2 3.49Å; R129-F158 VanDerWaalsContact CG-CE2 3.49Å; R129-F158 HydrophobicContact CG-CG 4.29Å; R129-F158 HydrophobicContact CG-CZ 3.85Å
159	G	89.5	Confident	95.3	Very high	59 Å²	59	32.3 Å²	32.3	61%	0.608	16%	0.164	S	C	*	.	S	Bend	trans	146.6	9.1	173.8	0	0	0	0	0	116.9	E97 N157	E97-G159 PolarHBondContact O-N 2.68Å; N157-G159 PolarHBondContact OD1-N 3.37Å
160	T	91	Very high	95.2	Very high	44 Å²	44	31.2 Å²	31.2	27%	0.27	16%	0.159	S	C	.	.			trans	-100.5	166.1	176.8	48.3	0	0	0	0	112.5	E97 S98 N157 S162	E97-T160 VanDerWaalsContact C-OG1 3.31Å; E97-T160 HydrophobicContact CB-CG2 3.65Å; E97-T160 PolarHBondContact O-OG1 3.09Å; S98-T160 WeakPolarHBondContact CA-OG1 3.37Å; S98-T160 WeakPolarHBondContact CB-OG1 3.45Å; S98-T160 PolarHBondContact N-OG1 2.87Å; S98-T160 VanDerWaalsContact N-OG1 3.16Å; N157-T160 PolarHBondContact ND2-O 2.81Å; N157-T160 PolarHBondContact ND2-OG1 3.26Å; N157-T160 VanDerWaalsContact ND2-OG1 3.09Å; N157-T160 PolarHBondContact OD1-N 2.86Å; N157-T160 PolarHBondContact OD1-O 2.92Å; N157-T160 VanDerWaalsContact OD1-O 3.13Å; T160-S162 PolarHBondContact OG1-O 3.04Å
161	E	91.6	Very high	95.1	Very high	175 Å²	175	33.4 Å²	33.4	82%	0.818	17%	0.167	S	C	*	.	S	Bend	trans	-76.6	-24	177	-59.2	-175.8	127.9	0	0	112.8	D71 E72	D71-E161 CarbonylContact C-O 3.59Å; D71-E161 WeakPolarHBondContact CA-O 3.43Å; E72-E161 PolarHBondContact N-O 3.13Å; E72-E161 VanDerWaalsContact N-O 3.15Å
162	S	94.6	Very high	94.8	Very high	34 Å²	34	34.3 Å²	34.3	24%	0.238	18%	0.177	C	C	.	.	S	Bend	trans	-117	153.4	177.2	70.7	0	0	0	0	111.8	E67 S68 S98 N157 T160	E67-S162 PolarHBondContact OE2-OG 3.11Å; S68-S162 WeakPolarHBondContact OG-CA 3.34Å; S98-S162 WeakPolarHBondContact CB-O 3.47Å; N157-S162 PolarHBondContact ND2-O 2.77Å; T160-S162 PolarHBondContact OG1-O 3.04Å
163	T	96.4	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.			trans	-115.9	132.2	175.7	-67.4	0	0	0	0	109.9	E67 S68 E72 L74 S98 P100 I154 N157 V165	E67-T163 WeakPolarHBondContact CA-O 3.44Å; S68-T163 PolarHBondContact N-O 2.64Å; S68-T163 PolarHBondContact OG-N 2.89Å; E72-T163 WeakPolarHBondContact CA-OG1 3.13Å; E72-T163 WeakPolarHBondContact CB-OG1 3.35Å; E72-T163 VanDerWaalsContact O-CB 3.26Å; E72-T163 WeakPolarHBondContact O-CB 3.38Å; E72-T163 PolarHBondContact O-OG1 3.24Å; L74-T163 HydrophobicContact CD1-CG2 4.07Å; S98-T163 WeakPolarHBondContact O-CA 3.46Å; P100-T163 HydrophobicContact CG-CG2 3.7Å; I154-T163 HydrophobicContact CG2-CG2 4.05Å; N157-T163 WeakPolarHBondContact CB-OG1 3.3Å; N157-T163 PolarHBondContact ND2-OG1 3.19Å; T163-V165 HydrophobicContact CG2-CG2 4.29Å
164	R	96	Very high	94.3	Very high	77 Å²	77	40.8 Å²	40.8	29%	0.291	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.8	178	-71.3	-177.8	179.6	164.3	6.5	111.8	V66 E67 G93 E94 S98 Y166	V66-R164 WeakPolarHBondContact O-CA 3.36Å; E67-R164 HydrophobicContact CB-CG 4.23Å; E67-R164 HydrophobicContact CG-CG 4.08Å; E67-R164 IonicContact OE1-NH2 2.74Å; E67-R164 IonicContact OE2-CZ 2.74Å; E67-R164 IonicContact OE2-NE 3.13Å; E67-R164 PolarHBondContact OE2-NE 3.4Å; E67-R164 IonicContact OE2-NH2 2.66Å; E67-R164 PolarHBondContact OE2-NH2 2.81Å; G93-R164 WeakPolarHBondContact CA-O 3.44Å; E94-R164 HydrophobicContact CB-CB 4.19Å; S98-R164 PolarHBondContact O-N 3.24Å; R164-Y166 HydrophobicContact CB-CE2 4.43Å
165	V	96.7	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.5	177.2	-174.3	0	0	0	0	109.7	V52 F65 V66 L74 L91 P100 I154 T163 I168	V52-V165 HydrophobicContact CG1-CG1 4.44Å; V52-V165 WeakPolarHBondContact CG1-O 3.46Å; F65-V165 CarbonylContact C-O 3.59Å; F65-V165 VanDerWaalsContact CA-O 3.29Å; F65-V165 WeakPolarHBondContact CA-O 3.35Å; F65-V165 WeakPolarHBondContact CB-O 3.39Å; V66-V165 HydrophobicContact CG1-CB 3.86Å; V66-V165 PolarHBondContact N-O 2.75Å; V66-V165 PolarHBondContact O-N 3.11Å; L74-V165 HydrophobicContact CD1-CG2 4.27Å; L91-V165 HydrophobicContact CD1-CG1 4.32Å; L91-V165 HydrophobicContact CG-CG1 4.17Å; P100-V165 HydrophobicContact CG-CG2 3.73Å; I154-V165 HydrophobicContact CD1-CG2 3.62Å; T163-V165 HydrophobicContact CG2-CG2 4.29Å; V165-I168 HydrophobicContact CG1-CD1 4.17Å; V165-I168 HydrophobicContact CG1-CG1 3.77Å
166	Y	96.2	Very high	93.2	Very high	15 Å²	15	51 Å²	51	6%	0.059	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-30.2	179.2	-66.2	-83.1	0	0	0	112.6	K54 R62 F65 A92 G93 E94 R164	K54-Y166 WeakPolarHBondContact CE-O 3.47Å; K54-Y166 PolarHBondContact NZ-O 2.77Å; R62-Y166 HydrophobicContact CB-CD1 3.92Å; R62-Y166 HydrophobicContact CB-CE1 3.87Å; R62-Y166 HydrophobicContact CG-CD1 4.3Å; R62-Y166 HydrophobicContact CG-CE1 4.46Å; F65-Y166 HydrophobicContact CB-CD1 3.55Å; F65-Y166 HydrophobicContact CB-CE1 3.56Å; F65-Y166 HydrophobicContact CB-CG 4.3Å; F65-Y166 HydrophobicContact CD1-CE1 4.19Å; F65-Y166 HydrophobicContact CG-CD1 4.49Å; F65-Y166 HydrophobicContact CG-CE1 4.05Å; A92-Y166 PolarHBondContact O-N 2.77Å; G93-Y166 VanDerWaalsContact C-CD2 3.48Å; G93-Y166 WeakPolarHBondContact O-CD2 3.36Å; E94-Y166 HydrophobicContact CB-CE2 4Å; E94-Y166 PolarHBondContact OE2-OH 2.82Å; R164-Y166 HydrophobicContact CB-CE2 4.43Å
167	Y	95.9	Very high	91.8	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	135.5	-173.5	-179.7	-103.1	0	0	0	111.8	V52 K54 W56 R59 I90 L91 A92 A133	V52-Y167 WeakPolarHBondContact O-CA 3.08Å; K54-Y167 HydrophobicContact CG-CD2 3.64Å; K54-Y167 HydrophobicContact CG-CE2 4Å; K54-Y167 VanDerWaalsContact O-CE2 3.3Å; K54-Y167 WeakPolarHBondContact O-CE2 3.3Å; W56-Y167 HydrophobicContact CE3-CE1 4.36Å; W56-Y167 HydrophobicContact CZ3-CE1 4.45Å; R59-Y167 HydrophobicContact CB-CD1 3.77Å; R59-Y167 HydrophobicContact CB-CD2 3.75Å; R59-Y167 HydrophobicContact CB-CE1 3.85Å; R59-Y167 HydrophobicContact CB-CE2 3.82Å; R59-Y167 HydrophobicContact CB-CG 3.71Å; I90-Y167 HydrophobicContact CG2-CD1 4.24Å; I90-Y167 HydrophobicContact CG2-CE1 4.14Å; L91-Y167 CarbonylContact C-O 3.53Å; L91-Y167 WeakPolarHBondContact CA-O 3.45Å; A92-Y167 PolarHBondContact N-O 2.79Å; A92-Y167 PolarHBondContact O-N 3Å; A133-Y167 HydrophobicContact CB-CD1 3.79Å; A133-Y167 HydrophobicContact CB-CE1 4.28Å
168	I	96.2	Very high	90	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.5	166.7	-57.3	177.9	0	0	0	108.3	V52 F53 F76 I89 I90 I152 V165 L170	V52-I168 HydrophobicContact CG2-CD1 3.94Å; V52-I168 HydrophobicContact CG2-CG1 4.06Å; V52-I168 PolarHBondContact O-N 2.77Å; F53-I168 HydrophobicContact CD1-CB 4.17Å; F53-I168 HydrophobicContact CD1-CG2 4.37Å; F53-I168 HydrophobicContact CE1-CB 3.76Å; F53-I168 HydrophobicContact CE1-CD1 4.39Å; F53-I168 HydrophobicContact CE1-CG2 3.65Å; F53-I168 HydrophobicContact CZ-CB 4.18Å; F53-I168 HydrophobicContact CZ-CD1 3.94Å; F53-I168 HydrophobicContact CZ-CG2 4.22Å; F76-I168 HydrophobicContact CD1-CD1 4.39Å; F76-I168 HydrophobicContact CD2-CD1 4.23Å; F76-I168 HydrophobicContact CE1-CD1 4.18Å; F76-I168 HydrophobicContact CE2-CD1 4.03Å; F76-I168 HydrophobicContact CG-CD1 4.42Å; F76-I168 HydrophobicContact CZ-CD1 4Å; I89-I168 HydrophobicContact CD1-CG2 4.1Å; I89-I168 HydrophobicContact CG1-CG2 4.4Å; I90-I168 CarbonylContact O-C 3.55Å; I90-I168 WeakPolarHBondContact O-CA 3.39Å; I152-I168 HydrophobicContact CD1-CG2 4.04Å; V165-I168 HydrophobicContact CG1-CD1 4.17Å; V165-I168 HydrophobicContact CG1-CG1 3.77Å; I168-L170 HydrophobicContact CG2-CD2 4.19Å
169	G	94.8	Very high	88.2	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129	177	0	0	0	0	0	111.2	I89 I90	I89-G169 CarbonylContact C-O 3.51Å; I89-G169 WeakPolarHBondContact CA-O 3.09Å; I90-G169 PolarHBondContact N-O 2.74Å; I90-G169 PolarHBondContact O-N 3.06Å
170	L	95.3	Very high	86.1	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	176.9	-57.8	-179	0	0	0	109.8	Y27 L29 I33 F53 F80 L86 I89 L150 I152 I168	Y27-L170 WeakPolarHBondContact CA-O 3.36Å; L29-L170 HydrophobicContact CB-CB 3.95Å; L29-L170 WeakPolarHBondContact CB-O 3.24Å; L29-L170 HydrophobicContact CD1-CB 4.05Å; I33-L170 HydrophobicContact CD1-CD1 4.11Å; F53-L170 HydrophobicContact CE1-CD1 4.47Å; F80-L170 HydrophobicContact CE1-CD1 3.97Å; F80-L170 HydrophobicContact CZ-CD1 3.79Å; L86-L170 HydrophobicContact CD1-CB 4.12Å; L86-L170 HydrophobicContact CD1-CD2 4.24Å; I89-L170 HydrophobicContact CB-CD2 4.39Å; I89-L170 HydrophobicContact CD1-CD2 3.78Å; I89-L170 HydrophobicContact CG1-CD2 3.97Å; L150-L170 HydrophobicContact CD2-CD1 4.15Å; L150-L170 HydrophobicContact CD2-CD2 4.07Å; I152-L170 HydrophobicContact CD1-CD2 4.36Å; I168-L170 HydrophobicContact CG2-CD2 4.19Å
171	R	93.9	Very high	83.6	Confident	45 Å²	45	71.6 Å²	71.6	17%	0.17	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.3	177.9	-169.4	171	68	91.4	1.6	111.3	E26 Y27 K87 G88 E136	E26-R171 HydrophobicContact CB-CG 3.99Å; E26-R171 WeakPolarHBondContact O-CA 3.11Å; E26-R171 WeakPolarHBondContact O-CG 3.5Å; E26-R171 IonicContact OE1-NH1 2.89Å; Y27-R171 HydrophobicContact CD1-CB 3.83Å; Y27-R171 HydrophobicContact CE1-CB 3.58Å; Y27-R171 HydrophobicContact CE1-CG 4.31Å; K87-R171 PolarHBondContact N-O 3.35Å; G88-R171 PolarHBondContact N-O 2.89Å; G88-R171 VanDerWaalsContact N-O 3.14Å; G88-R171 PolarHBondContact O-N 2.72Å; E136-R171 VanDerWaalsContact CD-NE 3.25Å; E136-R171 IonicContact OE1-CZ 3.28Å; E136-R171 IonicContact OE1-NE 3.21Å; E136-R171 PolarHBondContact OE1-NE 2.99Å; E136-R171 IonicContact OE1-NH2 3.59Å; E136-R171 PolarHBondContact OE1-NH2 3.15Å; E136-R171 VanDerWaalsContact OE2-CD 3.28Å; E136-R171 WeakPolarHBondContact OE2-CD 3.46Å; E136-R171 IonicContact OE2-CZ 3.54Å; E136-R171 IonicContact OE2-NE 2.74Å; E136-R171 PolarHBondContact OE2-NE 3.13Å; E136-R171 IonicContact OE2-NH2 3.62Å
172	G	92.6	Very high	81.2	Confident	19 Å²	19	68.9 Å²	68.9	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-163.2	176.4	0	0	0	0	0	114.6	K85	K85-G172 CarbonylContact O-C 3.6Å; K85-G172 WeakPolarHBondContact O-CA 3.46Å
173	E	92.1	Very high	78.5	Confident	77 Å²	77	72.6 Å²	72.6	36%	0.36	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.3	179.8	-67.5	164.3	-165.9	0	0	109.8	V84 K85 K87	V84-E173 CarbonylContact C-O 3.59Å; V84-E173 WeakPolarHBondContact CA-O 3.38Å; K85-E173 HydrophobicContact CB-CB 4.31Å; K85-E173 PolarHBondContact N-O 3.13Å; K85-E173 IonicContact NZ-OE2 3.87Å; K85-E173 PolarHBondContact NZ-OE2 3.23Å; K85-E173 PolarHBondContact O-N 3.45Å; K87-E173 WeakPolarHBondContact CE-OE1 3.24Å; K87-E173 IonicContact NZ-OE1 3.21Å; K87-E173 PolarHBondContact NZ-OE1 2.71Å
174	Y	92.4	Very high	75.9	Confident	59 Å²	59	78.8 Å²	78.8	23%	0.231	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	171.9	173	-94.7	0	0	0	110.1	R32 T81 V84 Q176	R32-Y174 HydrophobicContact CB-CD2 3.75Å; R32-Y174 HydrophobicContact CB-CE2 4.04Å; R32-Y174 HydrophobicContact CB-CG 4.39Å; R32-Y174 HydrophobicContact CG-CD1 4.46Å; R32-Y174 HydrophobicContact CG-CD2 3.72Å; R32-Y174 HydrophobicContact CG-CE2 4.23Å; R32-Y174 HydrophobicContact CG-CG 3.84Å; T81-Y174 PolarHBondContact O-OH 3.44Å; T81-Y174 PolarHBondContact OG1-OH 3.1Å; V84-Y174 HydrophobicContact CG2-CD2 4.03Å; Y174-Q176 HydrophobicContact CE1-CB 4.12Å
175	S	89.3	Confident	73.3	Confident	69 Å²	69	80.1 Å²	80.1	48%	0.483	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.3	170.2	-66.1	0	0	0	0	108.3	S83 A177	S83-S175 PolarHBondContact N-O 3.31Å; S83-S175 PolarHBondContact O-N 3.39Å; S175-A177 PolarHBondContact O-N 2.76Å; S175-A177 VanDerWaalsContact O-N 3.14Å
176	Q	80.3	Confident	70.9	Confident	153 Å²	153	85.9 Å²	85.9	72%	0.715	44%	0.44	S	S	*	.			trans	-59.7	122.9	175.9	-170.9	172.1	18.5	0	0	109	Y174 H178	Y174-Q176 HydrophobicContact CE1-CB 4.12Å; Q176-H178 PolarHBondContact O-N 3.44Å
177	A	65.9	Low	68.5	Low	43 Å²	43	95 Å²	95	36%	0.355	48%	0.475	S	S	.	.			trans	-61.4	111	173.2	0	0	0	0	0	107.7	S175 R179	S175-A177 PolarHBondContact O-N 2.76Å; S175-A177 VanDerWaalsContact O-N 3.14Å; A177-R179 PolarHBondContact O-N 3.28Å
178	H	57	Low	66.3	Low	163 Å²	163	103 Å²	103	76%	0.755	51%	0.513	S	S	*	.			trans	-64.8	94.6	161.1	-93	64.5	0	0	0	105.8	Q176 H180	Q176-H178 PolarHBondContact O-N 3.44Å; H178-H180 PolarHBondContact O-N 2.8Å
179	R	54.9	Low	64	Low	231 Å²	231	107.3 Å²	107.3	87%	0.872	55%	0.549	S	S	*	.			trans	-59.5	100.9	157.3	-75.8	-175.4	-178.8	156.2	1.9	104.7	A177 E181	A177-R179 PolarHBondContact O-N 3.28Å; R179-E181 PolarHBondContact O-N 3.16Å
180	H	44.9	Very low	61.8	Low	163 Å²	163	111.8 Å²	111.8	76%	0.755	58%	0.58	S	S	*	*			trans	-60.6	93.3	153.4	-81.6	73.8	0	0	0	104.3	H178 V182	H178-H180 PolarHBondContact O-N 2.8Å; H180-V182 PolarHBondContact O-N 3.25Å
181	E	39.2	Very low	59.4	Low	174 Å²	174	116.2 Å²	116.2	81%	0.813	62%	0.616	S	S	*	*			trans	-50.5	111.1	144.9	-82.7	-179.6	122.7	0	0	103.9	R179 T183	R179-E181 PolarHBondContact O-N 3.16Å; E181-T183 PolarHBondContact O-N 3.48Å
182	V	41.7	Very low	57.6	Low	118 Å²	118	120.1 Å²	120.1	72%	0.715	64%	0.641	S	S	*	*			trans	-63.6	89.9	172.5	-178.6	0	0	0	0	104.3	H180 I184	H180-V182 PolarHBondContact O-N 3.25Å; V182-I184 HydrophobicContact CG1-CG1 3.72Å; V182-I184 PolarHBondContact O-N 3.17Å
183	T	37.5	Very low	55.7	Low	113 Å²	113	125 Å²	125	69%	0.693	67%	0.669	S	S	*	*			trans	-61.1	92.6	156.4	-52	0	0	0	0	103.7	E181 C185	E181-T183 PolarHBondContact O-N 3.48Å; T183-C185 WeakPolarHBondContact CG2-SG 3.26Å; T183-C185 PolarHBondContact O-N 3.03Å
184	I	41.9	Very low	54.1	Low	130 Å²	130	125.3 Å²	125.3	67%	0.667	69%	0.685	S	S	*	*			trans	-63.5	83.8	158.3	-57.1	179.9	0	0	0	103.5	V182 N186	V182-I184 HydrophobicContact CG1-CG1 3.72Å; V182-I184 PolarHBondContact O-N 3.17Å; I184-N186 PolarHBondContact O-N 3.08Å
185	C	40.4	Very low	52.1	Low	104 Å²	104	129.4 Å²	129.4	70%	0.703	71%	0.711	S	S	*	*			trans	-64.3	91.7	158.9	-73	0	0	0	0	104.2	T183 Y187	T183-C185 WeakPolarHBondContact CG2-SG 3.26Å; T183-C185 PolarHBondContact O-N 3.03Å; C185-Y187 VanDerWaalsContact C-N 3.32Å; C185-Y187 PolarHBondContact O-N 3.44Å
186	N	46	Very low	50.4	Low	122 Å²	122	134.2 Å²	134.2	65%	0.652	73%	0.725	S	S	*	*			trans	-54.7	105.8	165	-118.4	42.8	0	0	0	106.2	I184 E188	I184-N186 PolarHBondContact O-N 3.08Å; N186-E188 PolarHBondContact O-N 3.33Å; N186-E188 VanDerWaalsContact O-N 3.11Å
187	Y	46.4	Very low	48.9	Very low	206 Å²	206	136.7 Å²	136.7	81%	0.808	73%	0.733	S	S	*	*			trans	-81.6	75.9	171.7	-174.2	-93.8	0	0	0	107.8	C185	C185-Y187 VanDerWaalsContact C-N 3.32Å; C185-Y187 PolarHBondContact O-N 3.44Å
188	E	48.9	Very low	48.3	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	75%	0.753	S	S	*	*			trans	-149	120.8	165.4	-63.8	-173.5	157	0	0	105.6	N186	N186-E188 PolarHBondContact O-N 3.33Å; N186-E188 VanDerWaalsContact O-N 3.11Å
189	A	48.9	Very low	47.7	Very low	93 Å²	93	139.5 Å²	139.5	77%	0.769	75%	0.753	S	S	*	*			cis	-154.7	136.2	17	0	0	0	0	0	108.9	A191	A189-A191 PolarHBondContact O-N 2.96Å
190	S	47.8	Very low	47.2	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	75%	0.745	S	S	*	*			trans	-59.4	122.2	153.4	-52.6	0	0	0	0	107.1	N192	S190-N192 PolarHBondContact O-N 2.85Å
191	A	44.9	Very low	47.3	Very low	95 Å²	95	133 Å²	133	79%	0.785	75%	0.747	S	S	*	*			trans	-57.1	111.7	168.6	0	0	0	0	0	108	A189 P193	A189-A191 PolarHBondContact O-N 2.96Å; A191-P193 VanDerWaalsContact O-CD 3.28Å; A191-P193 WeakPolarHBondContact O-CD 3.5Å
192	N	57.3	Low	47.8	Very low	127 Å²	127	131.6 Å²	131.6	68%	0.679	74%	0.743	S	S	*	*			trans	-73.5	116.4	176	-168.8	8	0	0	0	108	S190 A194	S190-N192 PolarHBondContact O-N 2.85Å; N192-A194 PolarHBondContact O-N 2.79Å
193	P	52.6	Low	48	Very low	123 Å²	123	131.5 Å²	131.5	80%	0.799	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-68.6	1.4	-175.5	-17.4	31.1	0	0	0	114.8	A191	A191-P193 VanDerWaalsContact O-CD 3.28Å; A191-P193 WeakPolarHBondContact O-CD 3.5Å
194	A	57.8	Low	48.4	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-86.6	-1.2	-172.7	0	0	0	0	0	115.4	N192	N192-A194 PolarHBondContact O-N 2.79Å
195	D	51	Low	48.8	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-99.8	0.1	-175.1	-157.1	-117.8	0	0	0	115.2	K197	D195-K197 PolarHBondContact O-N 2.84Å; D195-K197 VanDerWaalsContact O-N 3.09Å
196	H	52.8	Low	48.9	Very low	171 Å²	171	137.1 Å²	137.1	79%	0.792	76%	0.764	S	S	*	*			trans	-79.8	94.7	170.1	-106.4	-104.8	0	0	0	110.4	V198	H196-V198 PolarHBondContact O-N 3.45Å
197	K	49.9	Very low	48.8	Very low	204 Å²	204	140.5 Å²	140.5	89%	0.887	77%	0.773	S	S	*	*			trans	-65.7	100.9	162.6	-73.5	-176.7	-178	177.2	0	108.8	D195 D199	D195-K197 PolarHBondContact O-N 2.84Å; D195-K197 VanDerWaalsContact O-N 3.09Å; K197-D199 PolarHBondContact O-N 3.37Å
198	V	52	Low	48.5	Very low	127 Å²	127	138.2 Å²	138.2	77%	0.77	77%	0.773	S	S	*	*			trans	-83.8	109.1	166.3	-175.5	0	0	0	0	107.1	H196 S200	H196-V198 PolarHBondContact O-N 3.45Å; V198-S200 PolarHBondContact O-N 3.37Å
199	D	44.8	Very low	48.5	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	80%	0.796	S	S	*	*			trans	-64.7	117.4	171.8	-157.2	-101.4	0	0	0	108.8	K197 I201	K197-D199 PolarHBondContact O-N 3.37Å; D199-I201 PolarHBondContact O-N 3.44Å
200	S	44.1	Very low	48.5	Very low	102 Å²	102	141.2 Å²	141.2	71%	0.713	80%	0.798	S	S	*	*			trans	-76.6	113.2	-178	50	0	0	0	0	110.6	V198	V198-S200 PolarHBondContact O-N 3.37Å
201	I	47.5	Very low	48.5	Very low	154 Å²	154	143.6 Å²	143.6	79%	0.79	81%	0.805	S	S	*	*			trans	-114.2	120.5	156.9	-36.2	103.2	0	0	0	109.3	D199	D199-I201 PolarHBondContact O-N 3.44Å
202	I	50.1	Low	48.7	Very low	145 Å²	145	146.3 Å²	146.3	74%	0.744	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.5	137.1	-164.7	-28.3	170.3	0	0	0	111.6
203	P	45	Very low	48.2	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-84.5	117.5	162.4	30.4	-26.7	0	0	0	109.8
204	Q	46.7	Very low	47.9	Very low	194 Å²	194	148.9 Å²	148.9	91%	0.907	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.9	133.1	165.3	-76	-160.6	-69.1	0	0	110.4
205	T	50.1	Low	47.3	Very low	116 Å²	116	153.3 Å²	153.3	71%	0.712	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.6	152.1	-179.3	52.8	0	0	0	0	112.6
206	N	41.8	Very low	47	Very low	155 Å²	155	154 Å²	154	83%	0.829	83%	0.826	S	S	*	*				176.5	147.5	110.1	-95.2	17.8	0	0	0	113.8
207	F	44	Very low	46.6	Very low	193 Å²	193	152.7 Å²	152.7	85%	0.846	83%	0.829	S	S	*	*			trans	-77.8	166.2	179.1	-97.5	-92.9	0	0	0	114.8
208	I	41.3	Very low	46.3	Very low	158 Å²	158	148.4 Å²	148.4	81%	0.81	82%	0.824	S	S	*	*			trans	78.8	136	156.6	-56.9	136.6	0	0	0	114.7
209	S	48.1	Very low	45.8	Very low	182 Å²	182	150.4 Å²	150.4	100%	1.273	83%	0.829	S	S	*	*			cis	-144.9	0	24.9	-164.7	0	0	0	0	112.9

Retrieved 209 of 209 residues in 1133.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).