A0A087WT22_HUMAN Loading...

Cellular tumor antigen p53

Multifunctional transcription factor that induces cell cycle arrest, DNA repair or apoptosis upon binding to its target DNA sequence. Acts as a tumor suppressor in many tumor types; induces growth arrest or apoptosis depending on the physiological circumstances and cell type. Negatively regulates cell division by controlling expression of a set of genes required for this process. One of the activated genes is an inhibitor of cyclin-dependent kinases. Apoptosis induction seems to be mediated either by stimulation of BAX and FAS antigen expression, or by repression of Bcl-2 expression.

AlphaFold DB , UniProt , Accession A0A087WT22, Species HUMAN (Homo sapiens, Human), Gene TP53, Length 187 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	96.6	Very high	96.9	Very high	66 Å²	66	68.3 Å²	68.3	33%	0.325	36%	0.36	S	S	.	.				0	151.4	0	175.6	176.8	60.9	0	0	110.2	I3 R54 T94 I95	M1-I3 HydrophobicContact CE-CG2 4.42Å; M1-R54 HydrophobicContact SD-CB 4.02Å; M1-R54 HydrophobicContact SD-CG 4.49Å; M1-T94 CarbonylContact O-C 3.48Å; M1-T94 WeakPolarHBondContact O-CA 3.36Å; M1-I95 HydrophobicContact CE-CD1 4.27Å; M1-I95 PolarHBondContact N-O 3.11Å; M1-I95 PolarHBondContact O-N 2.98Å
2	A	97.6	Very high	97	Very high	9 Å²	9	68.8 Å²	68.8	7%	0.074	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.2	173.1	0	0	0	0	0	112.8	V14 L35 I36 I92 L93	A2-V14 HydrophobicContact CB-CB 3.98Å; A2-V14 HydrophobicContact CB-CG1 3.89Å; A2-V14 HydrophobicContact CB-CG2 4.31Å; A2-L35 HydrophobicContact CB-CD2 4.3Å; A2-I36 HydrophobicContact CB-CD1 3.94Å; A2-I92 HydrophobicContact CB-CD1 4.4Å; A2-L93 CarbonylContact C-O 3.6Å; A2-L93 WeakPolarHBondContact CA-O 3.29Å
3	I	98.3	Very high	97.1	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.067	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.6	172.3	62.9	162.8	0	0	0	110.7	M1 M10 I92 L93 I95	M1-I3 HydrophobicContact CE-CG2 4.42Å; I3-M10 HydrophobicContact CD1-CE 3.86Å; I3-I92 CarbonylContact O-C 3.59Å; I3-I92 WeakPolarHBondContact O-CA 3.34Å; I3-I92 WeakPolarHBondContact O-CB 3.42Å; I3-L93 HydrophobicContact CD1-CD1 4.5Å; I3-L93 HydrophobicContact CG1-CB 3.99Å; I3-L93 PolarHBondContact N-O 3Å; I3-L93 PolarHBondContact O-N 3.1Å; I3-I95 HydrophobicContact CD1-CD1 3.65Å; I3-I95 HydrophobicContact CG1-CD1 3.92Å; I3-I95 HydrophobicContact CG1-CG1 4.44Å; I3-I95 HydrophobicContact CG2-CD1 4.3Å
4	Y	98.4	Very high	97.2	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.5	169.8	-69	-69.7	0	0	0	110.9	H9 E12 V14 G86 M87 R90 I92	Y4-H9 HydrophobicContact CD2-CB 4Å; Y4-H9 VanDerWaalsContact CD2-O 3.32Å; Y4-H9 WeakPolarHBondContact CD2-O 3.49Å; Y4-H9 HydrophobicContact CG-CB 3.86Å; Y4-E12 HydrophobicContact CD2-CB 3.97Å; Y4-E12 HydrophobicContact CE2-CB 3.9Å; Y4-V14 HydrophobicContact CD1-CG2 4.32Å; Y4-V14 HydrophobicContact CD2-CG2 3.78Å; Y4-V14 HydrophobicContact CE1-CG2 4.26Å; Y4-V14 HydrophobicContact CE2-CG2 3.73Å; Y4-V14 HydrophobicContact CG-CG2 4.08Å; Y4-G86 PolarHBondContact OH-O 3.14Å; Y4-M87 HydrophobicContact CE1-CB 4.47Å; Y4-M87 HydrophobicContact CE1-CG 4.39Å; Y4-M87 WeakPolarHBondContact OH-CA 3.46Å; Y4-R90 HydrophobicContact CD1-CB 3.69Å; Y4-R90 HydrophobicContact CE1-CB 3.78Å; Y4-R90 PolarHBondContact OH-NH2 2.93Å; Y4-I92 HydrophobicContact CD1-CG2 3.64Å; Y4-I92 HydrophobicContact CE1-CG2 3.82Å; Y4-I92 HydrophobicContact CG-CG2 4.48Å
5	K	97.6	Very high	97.2	Very high	100 Å²	100	64.6 Å²	64.6	44%	0.435	33%	0.329	S	S	.	.	S	Bend	trans	-73	-35.2	-179	-178.7	179.8	175.8	-177.2	0	112.6	P91 L93 E112	K5-P91 HydrophobicContact CB-CB 4.18Å; K5-P91 HydrophobicContact CB-CG 4.13Å; K5-P91 HydrophobicContact CD-CB 4.29Å; K5-P91 HydrophobicContact CD-CG 4.46Å; K5-P91 PolarHBondContact N-O 3.1Å; K5-L93 HydrophobicContact CB-CD2 4.38Å; K5-L93 HydrophobicContact CB-CG 4Å; K5-L93 HydrophobicContact CD-CD2 4.2Å; K5-L93 HydrophobicContact CG-CD1 4.38Å; K5-L93 HydrophobicContact CG-CD2 4.2Å; K5-L93 HydrophobicContact CG-CG 4.16Å; K5-E112 HydrophobicContact CD-CG 4.47Å; K5-E112 VanDerWaalsContact NZ-CD 3.32Å; K5-E112 IonicContact NZ-OE1 3.65Å; K5-E112 PolarHBondContact NZ-OE1 3.47Å; K5-E112 IonicContact NZ-OE2 2.76Å; K5-E112 PolarHBondContact NZ-OE2 3.24Å
6	Q	97.3	Very high	97.2	Very high	75 Å²	75	60.6 Å²	60.6	35%	0.35	31%	0.308	S	S	.	.	S	Bend	trans	-77.6	132.4	-178.5	-68.9	175.5	-8.1	0	0	110.5	Q8 H9 M10 P91	Q6-Q8 VanDerWaalsContact C-N 3.28Å; Q6-Q8 PolarHBondContact O-N 2.84Å; Q6-Q8 VanDerWaalsContact OE1-NE2 3.08Å; Q6-H9 PolarHBondContact O-N 2.83Å; Q6-M10 PolarHBondContact O-N 2.81Å; Q6-P91 HydrophobicContact CG-CG 4.15Å
7	S	96.2	Very high	97.2	Very high	101 Å²	101	57.3 Å²	57.3	71%	0.706	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-57.6	-38.5	-174.5	52.6	0	0	0	0	112.9	H9 M10	S7-H9 PolarHBondContact O-N 3.35Å; S7-H9 VanDerWaalsContact O-N 3.1Å; S7-M10 PolarHBondContact O-N 3.28Å
8	Q	97	Very high	97.1	Very high	121 Å²	121	57.1 Å²	57.1	57%	0.565	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-63.4	-17.3	179.1	68.8	-95.2	22.3	0	0	114.3	Q6	Q6-Q8 VanDerWaalsContact C-N 3.28Å; Q6-Q8 PolarHBondContact O-N 2.84Å; Q6-Q8 VanDerWaalsContact OE1-NE2 3.08Å
9	H	96.4	Very high	97	Very high	42 Å²	42	61.6 Å²	61.6	19%	0.194	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-114.9	-1.3	-179.7	-61.2	-55.6	0	0	0	113	Y4 Q6 S7 T11 E12 R90	Y4-H9 HydrophobicContact CD2-CB 4Å; Y4-H9 VanDerWaalsContact CD2-O 3.32Å; Y4-H9 WeakPolarHBondContact CD2-O 3.49Å; Y4-H9 HydrophobicContact CG-CB 3.86Å; Q6-H9 PolarHBondContact O-N 2.83Å; S7-H9 PolarHBondContact O-N 3.35Å; S7-H9 VanDerWaalsContact O-N 3.1Å; H9-T11 PolarHBondContact O-N 2.94Å; H9-T11 VanDerWaalsContact O-N 3.17Å; H9-E12 IonicContact CE1-OE1 2.95Å; H9-E12 IonicContact CG-OE1 3.71Å; H9-E12 IonicContact ND1-OE1 3.96Å; H9-E12 PolarHBondContact ND1-OE1 3.33Å; H9-E12 WeakPolarHBondContact O-CB 3.22Å; H9-E12 PolarHBondContact O-N 3.3Å; H9-R90 VanDerWaalsContact CD2-CD 3.41Å; H9-R90 WeakPolarHBondContact CD2-CD 3.5Å; H9-R90 PolarHBondContact ND1-NH1 3.02Å; H9-R90 VanDerWaalsContact ND1-NH1 3.17Å
10	M	94.9	Very high	96.9	Very high	99 Å²	99	60.6 Å²	60.6	49%	0.488	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.5	-169.9	-167.8	-178.8	-179.6	0	0	113.1	I3 Q6 S7 E12 R54	I3-M10 HydrophobicContact CD1-CE 3.86Å; Q6-M10 PolarHBondContact O-N 2.81Å; S7-M10 PolarHBondContact O-N 3.28Å; M10-E12 VanDerWaalsContact C-N 3.34Å; M10-R54 PolarHBondContact O-NH2 3.3Å
11	T	96.1	Very high	96.7	Very high	122 Å²	122	60.4 Å²	60.4	75%	0.748	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.7	176.1	53.8	0	0	0	0	113.2	H9	H9-T11 PolarHBondContact O-N 2.94Å; H9-T11 VanDerWaalsContact O-N 3.17Å
12	E	97.8	Very high	96.5	Very high	74 Å²	74	66.4 Å²	66.4	35%	0.346	33%	0.325	S	S	.	.	S	Bend	trans	-71.9	144.6	178.5	-61.7	179.4	-141.4	0	0	111.2	Y4 H9 M10 R54 R90	Y4-E12 HydrophobicContact CD2-CB 3.97Å; Y4-E12 HydrophobicContact CE2-CB 3.9Å; H9-E12 IonicContact CE1-OE1 2.95Å; H9-E12 IonicContact CG-OE1 3.71Å; H9-E12 IonicContact ND1-OE1 3.96Å; H9-E12 PolarHBondContact ND1-OE1 3.33Å; H9-E12 WeakPolarHBondContact O-CB 3.22Å; H9-E12 PolarHBondContact O-N 3.3Å; M10-E12 VanDerWaalsContact C-N 3.34Å; E12-R54 PolarHBondContact O-NH1 3.21Å; E12-R90 VanDerWaalsContact CD-NH1 3.26Å; E12-R90 IonicContact OE1-NH1 3.3Å; E12-R90 PolarHBondContact OE1-NH1 2.61Å; E12-R90 IonicContact OE2-CZ 3.53Å; E12-R90 IonicContact OE2-NH1 3.79Å; E12-R90 PolarHBondContact OE2-NH1 3.03Å; E12-R90 IonicContact OE2-NH2 3.73Å; E12-R90 PolarHBondContact OE2-NH2 3.09Å
13	V	97.9	Very high	96	Very high	27 Å²	27	68.9 Å²	68.9	16%	0.164	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-78.8	125.8	175	178.1	0	0	0	0	109.3	R15 F53 R54	V13-R15 PolarHBondContact O-N 2.78Å; V13-F53 VanDerWaalsContact CG1-O 3.31Å; V13-F53 WeakPolarHBondContact CG1-O 3.27Å; V13-F53 HydrophobicContact CG2-CB 4.19Å; V13-F53 WeakPolarHBondContact CG2-O 3.42Å; V13-R54 HydrophobicContact CG2-CG 4.43Å
14	V	98.3	Very high	94.7	Very high	6 Å²	6	74.2 Å²	74.2	4%	0.036	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-75.5	118.5	171.1	-178.4	0	0	0	0	108.8	A2 Y4 L35 M87 I92	A2-V14 HydrophobicContact CB-CB 3.98Å; A2-V14 HydrophobicContact CB-CG1 3.89Å; A2-V14 HydrophobicContact CB-CG2 4.31Å; Y4-V14 HydrophobicContact CD1-CG2 4.32Å; Y4-V14 HydrophobicContact CD2-CG2 3.78Å; Y4-V14 HydrophobicContact CE1-CG2 4.26Å; Y4-V14 HydrophobicContact CE2-CG2 3.73Å; Y4-V14 HydrophobicContact CG-CG2 4.08Å; V14-L35 HydrophobicContact CG1-CB 4.41Å; V14-L35 HydrophobicContact CG1-CD2 3.39Å; V14-M87 HydrophobicContact CG1-CG 4.43Å; V14-I92 HydrophobicContact CG1-CG2 4.23Å; V14-I92 HydrophobicContact CG2-CG2 4.08Å
15	R	97.4	Very high	93.7	Very high	111 Å²	111	76.7 Å²	76.7	42%	0.419	39%	0.393	S	S	.	.			trans	-140.8	165.2	-179.8	58.8	-179	58.7	176.2	-5.5	111.2	V13	V13-R15 PolarHBondContact O-N 2.78Å
16	R	97.2	Very high	92.7	Very high	1 Å²	1	75.3 Å²	75.3	0%	0.004	40%	0.396	C	S	.	.			trans	-62.2	154.1	173.2	-68.3	-178.4	66.5	-159.6	16.9	110.8	H20 E21 D25 P32 Q33 H34 M78 C79	R16-H20 HydrophobicContact CB-CB 4.39Å; R16-H20 PolarHBondContact NH1-O 2.91Å; R16-H20 VanDerWaalsContact NH1-O 3.1Å; R16-H20 PolarHBondContact NH2-O 3.44Å; R16-H20 VanDerWaalsContact NH2-O 3.09Å; R16-E21 HydrophobicContact CB-CB 4.41Å; R16-D25 IonicContact CZ-OD1 3.35Å; R16-D25 IonicContact CZ-OD2 3.79Å; R16-D25 IonicContact NH1-OD1 3.72Å; R16-D25 PolarHBondContact NH1-OD1 3.09Å; R16-D25 IonicContact NH1-OD2 2.6Å; R16-D25 IonicContact NH2-OD1 2.85Å; R16-D25 PolarHBondContact NH2-OD1 2.84Å; R16-D25 IonicContact NH2-OD2 3.4Å; R16-D25 PolarHBondContact NH2-OD2 2.97Å; R16-P32 WeakPolarHBondContact CD-O 3.32Å; R16-P32 PolarHBondContact NH1-O 3.16Å; R16-Q33 PolarHBondContact N-O 3.39Å; R16-H34 WeakPolarHBondContact CD-O 3.28Å; R16-H34 WeakPolarHBondContact CG-O 3.47Å; R16-M78 HydrophobicContact CG-CB 4.32Å; R16-M78 PolarHBondContact NE-O 3.35Å; R16-M78 VanDerWaalsContact NE-O 3.11Å; R16-C79 VanDerWaalsContact CA-SG 3.6Å
17	C	97.2	Very high	91.7	Very high	4 Å²	4	75.6 Å²	75.6	3%	0.027	40%	0.4	C	S	.	.			trans	-74.6	162.1	177.6	70.6	0	0	0	0	111.4	H19 H20 E21 C79 C83 M84	C17-H19 PolarHBondContact O-N 3.02Å; C17-H20 PolarHBondContact O-N 3.19Å; C17-H20 PolarHBondContact SG-ND1 3.11Å; C17-E21 PolarHBondContact O-N 2.88Å; C17-C79 PolarHBondContact N-SG 2.94Å; C17-C79 VanDerWaalsContact N-SG 3.38Å; C17-C83 HydrophobicContact CB-CB 3.84Å; C17-M84 WeakPolarHBondContact CB-O 3.26Å
18	P	96.6	Very high	91	Very high	53 Å²	53	74 Å²	74	34%	0.344	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.5	-179	-28.6	35.9	0	0	0	115	R22	P18-R22 VanDerWaalsContact O-CD 3.26Å; P18-R22 WeakPolarHBondContact O-CD 3.38Å; P18-R22 VanDerWaalsContact O-CG 3.28Å; P18-R22 WeakPolarHBondContact O-CG 2.97Å; P18-R22 PolarHBondContact O-NE 2.89Å
19	H	95	Very high	90.5	Very high	143 Å²	143	72.6 Å²	72.6	66%	0.662	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-49.6	176.3	178.4	66.2	0	0	0	111.7	C17 R22 C23	C17-H19 PolarHBondContact O-N 3.02Å; H19-R22 PolarHBondContact O-N 2.83Å; H19-C23 PolarHBondContact O-N 2.63Å
20	H	93.8	Very high	90.3	Very high	42 Å²	42	70.7 Å²	70.7	19%	0.194	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-74.6	-33.5	-176.5	-79	128.7	0	0	0	112.6	R16 C17 R22 C23 C79 C83	R16-H20 HydrophobicContact CB-CB 4.39Å; R16-H20 PolarHBondContact NH1-O 2.91Å; R16-H20 VanDerWaalsContact NH1-O 3.1Å; R16-H20 PolarHBondContact NH2-O 3.44Å; R16-H20 VanDerWaalsContact NH2-O 3.09Å; C17-H20 PolarHBondContact O-N 3.19Å; C17-H20 PolarHBondContact SG-ND1 3.11Å; H20-R22 PolarHBondContact O-N 2.88Å; H20-C23 WeakPolarHBondContact O-CB 3.33Å; H20-C23 PolarHBondContact O-N 3.01Å; H20-C79 VanDerWaalsContact CB-SG 3.59Å; H20-C79 PolarHBondContact ND1-SG 3.13Å; H20-C83 PolarHBondContact CE1-SG 3Å
21	E	93.3	Very high	90.2	Very high	56 Å²	56	67.5 Å²	67.5	26%	0.262	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.9	176.4	80.5	-177.2	178.9	0	0	113.3	R16 C17 P32	R16-E21 HydrophobicContact CB-CB 4.41Å; C17-E21 PolarHBondContact O-N 2.88Å; E21-P32 WeakPolarHBondContact CA-O 3.46Å; E21-P32 WeakPolarHBondContact O-CB 3.17Å
22	R	91.9	Very high	90.1	Very high	193 Å²	193	64 Å²	64	73%	0.728	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-97.8	-7.7	179.4	-62.9	175.5	-166.2	178.3	0.1	112.5	P18 H19 H20	P18-R22 VanDerWaalsContact O-CD 3.26Å; P18-R22 WeakPolarHBondContact O-CD 3.38Å; P18-R22 VanDerWaalsContact O-CG 3.28Å; P18-R22 WeakPolarHBondContact O-CG 2.97Å; P18-R22 PolarHBondContact O-NE 2.89Å; H19-R22 PolarHBondContact O-N 2.83Å; H20-R22 PolarHBondContact O-N 2.88Å
23	C	86.9	Confident	90	Very high	60 Å²	60	64.1 Å²	64.1	41%	0.405	35%	0.354	S	S	.	.	S	Bend	trans	-74.8	137.2	177.1	-163.8	0	0	0	0	109.2	H19 H20 D25	H19-C23 PolarHBondContact O-N 2.63Å; H20-C23 WeakPolarHBondContact O-CB 3.33Å; H20-C23 PolarHBondContact O-N 3.01Å; C23-D25 PolarHBondContact O-N 3.42Å
24	S	72.4	Confident	90	Very high	126 Å²	126	63 Å²	63	88%	0.881	35%	0.346	S	S	*	.			trans	-78.3	46.9	178	-47.9	0	0	0	0	112.1	S26	S24-S26 VanDerWaalsContact C-N 3.27Å; S24-S26 PolarHBondContact O-N 3.5Å
25	D	77.1	Confident	89.9	Confident	54 Å²	54	62.9 Å²	62.9	29%	0.289	35%	0.346	S	S	.	.			trans	-95.9	31.4	179.4	69.6	-10.9	0	0	0	112.3	R16 C23 R37	R16-D25 IonicContact CZ-OD1 3.35Å; R16-D25 IonicContact CZ-OD2 3.79Å; R16-D25 IonicContact NH1-OD1 3.72Å; R16-D25 PolarHBondContact NH1-OD1 3.09Å; R16-D25 IonicContact NH1-OD2 2.6Å; R16-D25 IonicContact NH2-OD1 2.85Å; R16-D25 PolarHBondContact NH2-OD1 2.84Å; R16-D25 IonicContact NH2-OD2 3.4Å; R16-D25 PolarHBondContact NH2-OD2 2.97Å; C23-D25 PolarHBondContact O-N 3.42Å; D25-R37 PolarHBondContact O-NH1 3.09Å; D25-R37 PolarHBondContact O-NH2 2.71Å; D25-R37 IonicContact OD1-NH2 3.12Å; D25-R37 PolarHBondContact OD1-NH2 3.44Å
26	S	76.9	Confident	89.8	Confident	71 Å²	71	58.1 Å²	58.1	50%	0.497	33%	0.328	S	S	.	.			trans	-75.5	136.3	178.9	-175.3	0	0	0	0	110.5	S24 G28	S24-S26 VanDerWaalsContact C-N 3.27Å; S24-S26 PolarHBondContact O-N 3.5Å; S26-G28 PolarHBondContact OG-N 2.72Å
27	D	75.6	Confident	89.7	Confident	81 Å²	81	58.3 Å²	58.3	43%	0.433	33%	0.329	S	S	.	.			trans	-83.9	5.4	167.5	44.5	33	0	0	0	111.9	L29 A30 R37	D27-L29 PolarHBondContact O-N 3.45Å; D27-L29 PolarHBondContact OD1-N 2.84Å; D27-L29 VanDerWaalsContact OD1-N 3.09Å; D27-A30 VanDerWaalsContact OD1-CB 3.31Å; D27-A30 WeakPolarHBondContact OD1-CB 3.08Å; D27-A30 PolarHBondContact OD1-N 2.65Å; D27-R37 IonicContact OD1-NH1 2.71Å; D27-R37 VanDerWaalsContact OD2-CD 3.23Å; D27-R37 WeakPolarHBondContact OD2-CD 3.42Å; D27-R37 IonicContact OD2-CZ 3.81Å; D27-R37 IonicContact OD2-NE 2.87Å; D27-R37 IonicContact OD2-NH1 3.82Å; D27-R37 PolarHBondContact OD2-NH1 3.12Å
28	G	81.4	Confident	89.5	Confident	68 Å²	68	58.7 Å²	58.7	70%	0.701	33%	0.331	S	S	*	.	S	Bend	trans	82.2	-9.6	-177.6	0	0	0	0	0	114.6	S26	S26-G28 PolarHBondContact OG-N 2.72Å
29	L	86.9	Confident	89.1	Confident	91 Å²	91	60.5 Å²	60.5	48%	0.476	34%	0.335	S	S	.	.	S	Bend	trans	-111.7	-45.1	-178.6	-62.4	176	0	0	0	111.8	D27 L42 V44 Y46	D27-L29 PolarHBondContact O-N 3.45Å; D27-L29 PolarHBondContact OD1-N 2.84Å; D27-L29 VanDerWaalsContact OD1-N 3.09Å; L29-L42 HydrophobicContact CD1-CD2 4.38Å; L29-V44 HydrophobicContact CB-CG1 4.48Å; L29-V44 HydrophobicContact CD1-CG1 3.87Å; L29-Y46 HydrophobicContact CB-CE2 4.11Å; L29-Y46 WeakPolarHBondContact O-CD2 3.47Å
30	A	91.6	Very high	88.7	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.025	35%	0.345	C	S	.	.	S	Bend	trans	-80.5	129.5	-174.2	0	0	0	0	0	111.9	D27 R37 Y46	D27-A30 VanDerWaalsContact OD1-CB 3.31Å; D27-A30 WeakPolarHBondContact OD1-CB 3.08Å; D27-A30 PolarHBondContact OD1-N 2.65Å; A30-R37 VanDerWaalsContact CB-CD 3.42Å; A30-R37 HydrophobicContact CB-CG 3.75Å; A30-Y46 HydrophobicContact CB-CD1 4.29Å; A30-Y46 HydrophobicContact CB-CD2 4.35Å; A30-Y46 HydrophobicContact CB-CE1 3.68Å; A30-Y46 HydrophobicContact CB-CE2 3.78Å
31	P	93.8	Very high	88.5	Confident	31 Å²	31	57.2 Å²	57.2	20%	0.201	34%	0.343	C	S	.	.			trans	-60.8	141.5	169.8	-19.7	30.8	0	0	0	110.6	Q33 H34 Y46	P31-Q33 PolarHBondContact O-N 2.63Å; P31-H34 PolarHBondContact O-N 2.83Å; P31-H34 VanDerWaalsContact O-N 3.11Å; P31-Y46 VanDerWaalsContact CD-CB 3.44Å; P31-Y46 VanDerWaalsContact CD-CG 3.5Å
32	P	94.1	Very high	88.3	Confident	50 Å²	50	62 Å²	62	33%	0.325	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.7	-171.5	25.7	-34.5	0	0	0	114.1	R16 E21	R16-P32 WeakPolarHBondContact CD-O 3.32Å; R16-P32 PolarHBondContact NH1-O 3.16Å; E21-P32 WeakPolarHBondContact CA-O 3.46Å; E21-P32 WeakPolarHBondContact O-CB 3.17Å
33	Q	95.4	Very high	88.4	Confident	76 Å²	76	59.4 Å²	59.4	36%	0.355	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-16	178.5	-54.8	82.9	-5.2	0	0	113.5	R16 P31 L35	R16-Q33 PolarHBondContact N-O 3.39Å; P31-Q33 PolarHBondContact O-N 2.63Å; Q33-L35 PolarHBondContact O-N 3.44Å
34	H	96.6	Very high	88.8	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.009	35%	0.346	C	S	.	.			trans	-73.5	124	-173.9	-81.7	-124.9	0	0	0	111.5	R16 P31 Y46 L47 D48 H55 S56	R16-H34 WeakPolarHBondContact CD-O 3.28Å; R16-H34 WeakPolarHBondContact CG-O 3.47Å; P31-H34 PolarHBondContact O-N 2.83Å; P31-H34 VanDerWaalsContact O-N 3.11Å; H34-Y46 HydrophobicContact CB-CD1 4.38Å; H34-Y46 AromaticContact ND1-CD1 3.46Å; H34-Y46 WeakPolarHBondContact ND1-CD1 3.21Å; H34-L47 PolarHBondContact CE1-O 3.03Å; H34-D48 IonicContact CD2-OD1 3.85Å; H34-D48 IonicContact CE1-OD1 3.2Å; H34-D48 IonicContact NE2-OD1 2.67Å; H34-D48 PolarHBondContact NE2-OD1 2.86Å; H34-H55 AromaticContact CD2-CG 3.88Å; H34-H55 AromaticContact NE2-CG 3.8Å; H34-S56 PolarHBondContact CE1-O 3.39Å
35	L	96.3	Very high	89.9	Confident	4 Å²	4	58 Å²	58	2%	0.021	34%	0.335	C	S	.	.	S	Bend	trans	-70.3	-40.9	179.1	175.9	64.1	0	0	0	112.3	A2 V14 Q33 Y77 M78 C79 M87 I92	A2-L35 HydrophobicContact CB-CD2 4.3Å; V14-L35 HydrophobicContact CG1-CB 4.41Å; V14-L35 HydrophobicContact CG1-CD2 3.39Å; Q33-L35 PolarHBondContact O-N 3.44Å; L35-Y77 HydrophobicContact CD2-CD1 4.45Å; L35-Y77 HydrophobicContact CG-CD1 4.32Å; L35-Y77 WeakPolarHBondContact O-CA 3.41Å; L35-M78 PolarHBondContact O-N 2.82Å; L35-C79 HydrophobicContact CD1-CB 3.71Å; L35-M87 HydrophobicContact CD1-CE 3.91Å; L35-M87 HydrophobicContact CD2-CE 4.23Å; L35-M87 HydrophobicContact CD2-SD 4.03Å; L35-I92 HydrophobicContact CD2-CD1 3.61Å
36	I	96.1	Very high	90.8	Very high	11 Å²	11	57.4 Å²	57.4	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.8	-174	-55.8	179	0	0	0	108.3	A2 V57 Y75 N76 Y77 T94	A2-I36 HydrophobicContact CB-CD1 3.94Å; I36-V57 HydrophobicContact CB-CG1 4.32Å; I36-V57 HydrophobicContact CG2-CG1 3.86Å; I36-Y75 HydrophobicContact CG2-CD1 3.47Å; I36-Y75 VanDerWaalsContact CG2-CD1 3.47Å; I36-Y75 HydrophobicContact CG2-CE1 4.15Å; I36-Y75 HydrophobicContact CG2-CG 4.3Å; I36-N76 CarbonylContact C-O 3.6Å; I36-N76 WeakPolarHBondContact CA-O 3.2Å; I36-Y77 HydrophobicContact CD1-CE1 3.94Å; I36-Y77 HydrophobicContact CG1-CD1 4.05Å; I36-Y77 HydrophobicContact CG1-CE1 3.73Å; I36-T94 HydrophobicContact CD1-CG2 3.91Å
37	R	94.5	Very high	91.7	Very high	6 Å²	6	58.3 Å²	58.3	2%	0.023	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	159.4	171.8	-60.7	-169.9	-174.3	176.5	11.4	110.5	D25 D27 A30 Y46 Y75 N76 M78	D25-R37 PolarHBondContact O-NH1 3.09Å; D25-R37 PolarHBondContact O-NH2 2.71Å; D25-R37 IonicContact OD1-NH2 3.12Å; D25-R37 PolarHBondContact OD1-NH2 3.44Å; D27-R37 IonicContact OD1-NH1 2.71Å; D27-R37 VanDerWaalsContact OD2-CD 3.23Å; D27-R37 WeakPolarHBondContact OD2-CD 3.42Å; D27-R37 IonicContact OD2-CZ 3.81Å; D27-R37 IonicContact OD2-NE 2.87Å; D27-R37 IonicContact OD2-NH1 3.82Å; D27-R37 PolarHBondContact OD2-NH1 3.12Å; A30-R37 VanDerWaalsContact CB-CD 3.42Å; A30-R37 HydrophobicContact CB-CG 3.75Å; R37-Y46 WeakPolarHBondContact CA-OH 3.46Å; R37-Y46 HydrophobicContact CB-CE1 4.42Å; R37-Y46 WeakPolarHBondContact CB-OH 3.37Å; R37-Y46 HydrophobicContact CG-CE1 4.22Å; R37-Y75 CarbonylContact O-C 3.6Å; R37-Y75 VanDerWaalsContact O-CA 3.3Å; R37-Y75 WeakPolarHBondContact O-CA 3.4Å; R37-N76 HydrophobicContact CB-CB 4.3Å; R37-N76 PolarHBondContact N-O 2.81Å; R37-N76 PolarHBondContact O-N 2.9Å; R37-M78 HydrophobicContact CB-CG 4.43Å; R37-M78 HydrophobicContact CG-CG 3.65Å; R37-M78 HydrophobicContact CG-SD 4.2Å
38	V	92.9	Very high	92.7	Very high	12 Å²	12	58.3 Å²	58.3	7%	0.073	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.6	172	177.6	0	0	0	0	108.9	N41 V44 Y46 V57 V59 I73 H74 Y75	V38-N41 HydrophobicContact CG1-CB 4.08Å; V38-V44 HydrophobicContact CB-CG2 3.97Å; V38-V44 HydrophobicContact CG2-CG2 4.26Å; V38-Y46 PolarHBondContact N-OH 2.88Å; V38-V57 HydrophobicContact CB-CG2 4.44Å; V38-V57 HydrophobicContact CG2-CG1 4.11Å; V38-V57 HydrophobicContact CG2-CG2 3.72Å; V38-V59 HydrophobicContact CB-CG1 4.29Å; V38-V59 HydrophobicContact CG1-CG1 3.99Å; V38-V59 HydrophobicContact CG2-CG1 4.11Å; V38-I73 HydrophobicContact CG1-CG2 3.84Å; V38-I73 HydrophobicContact CG2-CG2 4.15Å; V38-H74 WeakPolarHBondContact CA-O 3.17Å; V38-Y75 HydrophobicContact CG2-CD1 3.74Å; V38-Y75 HydrophobicContact CG2-CE1 3.58Å
39	E	89.3	Confident	93.4	Very high	91 Å²	91	57.7 Å²	57.7	43%	0.425	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.9	177.9	-176.2	171	172.9	0	0	111.2	N41 H74 N76 W179	E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.28Å; E39-H74 HydrophobicContact CB-CB 4.16Å; E39-H74 PolarHBondContact N-O 3.47Å; E39-N76 PolarHBondContact OE2-ND2 2.82Å; E39-W179 WeakPolarHBondContact OE2-CH2 3.3Å; E39-W179 WeakPolarHBondContact OE2-CZ3 3.36Å
40	G	86.7	Confident	93.8	Very high	83 Å²	83	64.2 Å²	64.2	86%	0.856	33%	0.327	S	S	*	.	S	Bend	trans	76.4	9.4	172.8	0	0	0	0	0	115.4
41	N	88.4	Confident	94	Very high	32 Å²	32	70.9 Å²	70.9	17%	0.171	36%	0.362	C	S	.	.			trans	-125.8	115.2	175.6	-161.3	-42.1	0	0	0	111.3	V38 E39 R43 V44 V59 E62	V38-N41 HydrophobicContact CG1-CB 4.08Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.28Å; N41-R43 VanDerWaalsContact C-N 3.34Å; N41-R43 WeakPolarHBondContact OD1-CA 3.35Å; N41-R43 WeakPolarHBondContact OD1-CB 3.5Å; N41-R43 PolarHBondContact OD1-N 3.27Å; N41-V44 VanDerWaalsContact O-CG1 3.24Å; N41-V44 WeakPolarHBondContact O-CG1 3.31Å; N41-V59 HydrophobicContact CB-CG1 4.4Å; N41-E62 PolarHBondContact ND2-OE1 3.31Å
42	L	89.9	Confident	94.1	Very high	158 Å²	158	72.8 Å²	72.8	83%	0.827	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.4	179.2	-64.3	177.7	0	0	0	113.6	L29 V44	L29-L42 HydrophobicContact CD1-CD2 4.38Å; L42-V44 PolarHBondContact O-N 3.37Å
43	R	93.3	Very high	94.2	Very high	138 Å²	138	76.5 Å²	76.5	52%	0.521	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	16.9	176.1	-57	-173.3	-70.3	-175.3	-4.7	112	N41 P60 E62	N41-R43 VanDerWaalsContact C-N 3.34Å; N41-R43 WeakPolarHBondContact OD1-CA 3.35Å; N41-R43 WeakPolarHBondContact OD1-CB 3.5Å; N41-R43 PolarHBondContact OD1-N 3.27Å; R43-P60 HydrophobicContact CB-CG 3.84Å; R43-P60 WeakPolarHBondContact O-CD 3.42Å; R43-E62 IonicContact CZ-OE1 3.63Å; R43-E62 IonicContact NE-OE1 3.86Å; R43-E62 VanDerWaalsContact NH2-CG 3.31Å; R43-E62 IonicContact NH2-OE1 2.63Å; R43-E62 PolarHBondContact NH2-OE1 2.89Å; R43-E62 IonicContact NH2-OE2 3.95Å
44	V	95	Very high	94.3	Very high	15 Å²	15	75.1 Å²	75.1	9%	0.091	38%	0.376	C	S	.	.			trans	-70.4	134.6	177	65.1	0	0	0	0	110.4	L29 V38 N41 L42 Y46 V57 V59	L29-V44 HydrophobicContact CB-CG1 4.48Å; L29-V44 HydrophobicContact CD1-CG1 3.87Å; V38-V44 HydrophobicContact CB-CG2 3.97Å; V38-V44 HydrophobicContact CG2-CG2 4.26Å; N41-V44 VanDerWaalsContact O-CG1 3.24Å; N41-V44 WeakPolarHBondContact O-CG1 3.31Å; L42-V44 PolarHBondContact O-N 3.37Å; V44-Y46 HydrophobicContact CB-CE2 4.41Å; V44-Y46 HydrophobicContact CG1-CD2 4.49Å; V44-Y46 HydrophobicContact CG1-CE2 3.78Å; V44-Y46 HydrophobicContact CG2-CD2 4.26Å; V44-Y46 HydrophobicContact CG2-CE2 3.71Å; V44-V57 HydrophobicContact CG2-CG2 3.2Å; V44-V59 HydrophobicContact CB-CG1 4.03Å; V44-V59 HydrophobicContact CG2-CG1 4Å
45	E	95.6	Very high	94.4	Very high	141 Å²	141	76.4 Å²	76.4	66%	0.659	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.6	173.8	-67	-174.7	-175	0	0	109.7	V57 V58	E45-V57 CarbonylContact O-C 3.55Å; E45-V57 WeakPolarHBondContact O-CA 3.49Å; E45-V58 PolarHBondContact N-O 3.33Å; E45-V58 PolarHBondContact O-N 2.72Å
46	Y	96.6	Very high	94.4	Very high	41 Å²	41	77.4 Å²	77.4	16%	0.161	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126	175.3	-68.3	-89	0	0	0	109.2	L29 A30 P31 H34 R37 V38 V44 V57	L29-Y46 HydrophobicContact CB-CE2 4.11Å; L29-Y46 WeakPolarHBondContact O-CD2 3.47Å; A30-Y46 HydrophobicContact CB-CD1 4.29Å; A30-Y46 HydrophobicContact CB-CD2 4.35Å; A30-Y46 HydrophobicContact CB-CE1 3.68Å; A30-Y46 HydrophobicContact CB-CE2 3.78Å; P31-Y46 VanDerWaalsContact CD-CB 3.44Å; P31-Y46 VanDerWaalsContact CD-CG 3.5Å; H34-Y46 HydrophobicContact CB-CD1 4.38Å; H34-Y46 AromaticContact ND1-CD1 3.46Å; H34-Y46 WeakPolarHBondContact ND1-CD1 3.21Å; R37-Y46 WeakPolarHBondContact CA-OH 3.46Å; R37-Y46 HydrophobicContact CB-CE1 4.42Å; R37-Y46 WeakPolarHBondContact CB-OH 3.37Å; R37-Y46 HydrophobicContact CG-CE1 4.22Å; V38-Y46 PolarHBondContact N-OH 2.88Å; V44-Y46 HydrophobicContact CB-CE2 4.41Å; V44-Y46 HydrophobicContact CG1-CD2 4.49Å; V44-Y46 HydrophobicContact CG1-CE2 3.78Å; V44-Y46 HydrophobicContact CG2-CD2 4.26Å; V44-Y46 HydrophobicContact CG2-CE2 3.71Å; Y46-V57 HydrophobicContact CD1-CB 3.96Å; Y46-V57 HydrophobicContact CD1-CG2 3.86Å; Y46-V57 HydrophobicContact CE1-CB 3.96Å; Y46-V57 HydrophobicContact CE1-CG2 3.62Å; Y46-V57 HydrophobicContact CE2-CG2 4.46Å; Y46-V57 HydrophobicContact CG-CG2 4.42Å
47	L	96.2	Very high	94.4	Very high	91 Å²	91	77.7 Å²	77.7	48%	0.476	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.1	-175.3	-177.7	67.6	0	0	0	111.3	H34 H55 S56	H34-L47 PolarHBondContact CE1-O 3.03Å; L47-H55 WeakPolarHBondContact O-CA 3.4Å; L47-S56 PolarHBondContact N-O 3.13Å; L47-S56 PolarHBondContact O-N 2.78Å
48	D	96.9	Very high	94.5	Very high	81 Å²	81	80.5 Å²	80.5	43%	0.433	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.2	164.7	-67.3	-27.1	0	0	0	108.4	H34 R50 H55	H34-D48 IonicContact CD2-OD1 3.85Å; H34-D48 IonicContact CE1-OD1 3.2Å; H34-D48 IonicContact NE2-OD1 2.67Å; H34-D48 PolarHBondContact NE2-OD1 2.86Å; D48-R50 PolarHBondContact O-N 3.29Å; D48-H55 IonicContact OD1-CD2 3.45Å; D48-H55 PolarHBondContact OD1-CD2 2.94Å; D48-H55 IonicContact OD1-CG 3.34Å; D48-H55 IonicContact OD1-NE2 2.93Å
49	D	95.7	Very high	94.6	Very high	55 Å²	55	81.1 Å²	81.1	29%	0.294	41%	0.413	S	S	.	.			trans	-65.5	124.8	-179.3	-177.7	-80.4	0	0	0	110.6	N51 T52 F53 R54	D49-N51 VanDerWaalsContact C-N 3.26Å; D49-N51 PolarHBondContact O-N 2.81Å; D49-N51 PolarHBondContact OD1-N 2.69Å; D49-T52 VanDerWaalsContact CB-OG1 3.32Å; D49-T52 WeakPolarHBondContact CB-OG1 3.24Å; D49-T52 WeakPolarHBondContact OD1-CB 3.31Å; D49-T52 PolarHBondContact OD1-N 3.44Å; D49-T52 PolarHBondContact OD1-OG1 2.82Å; D49-F53 WeakPolarHBondContact O-CA 3.48Å; D49-F53 PolarHBondContact O-N 3.46Å; D49-R54 PolarHBondContact N-O 3.01Å
50	R	94.4	Very high	94.8	Very high	227 Å²	227	79.5 Å²	79.5	86%	0.857	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.6	-173	-64.5	-175.6	179.5	-168.3	0.4	114.3	D48	D48-R50 PolarHBondContact O-N 3.29Å
51	N	95.8	Very high	95	Very high	144 Å²	144	80 Å²	80	77%	0.77	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-42.3	-175.1	-62.2	-43.5	0	0	0	111.5	D49	D49-N51 VanDerWaalsContact C-N 3.26Å; D49-N51 PolarHBondContact O-N 2.81Å; D49-N51 PolarHBondContact OD1-N 2.69Å
52	T	95.5	Very high	95.1	Very high	70 Å²	70	81.7 Å²	81.7	43%	0.429	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-13.5	-174.7	67.3	0	0	0	0	112.8	D49 R54	D49-T52 VanDerWaalsContact CB-OG1 3.32Å; D49-T52 WeakPolarHBondContact CB-OG1 3.24Å; D49-T52 WeakPolarHBondContact OD1-CB 3.31Å; D49-T52 PolarHBondContact OD1-N 3.44Å; D49-T52 PolarHBondContact OD1-OG1 2.82Å; T52-R54 PolarHBondContact O-N 2.94Å; T52-R54 VanDerWaalsContact O-N 3.09Å; T52-R54 PolarHBondContact OG1-N 3.11Å
53	F	97.1	Very high	95	Very high	129 Å²	129	78.8 Å²	78.8	57%	0.566	39%	0.385	S	S	*	.			trans	58.2	17.1	-175.5	-48.5	-69.9	0	0	0	113.8	V13 D49	V13-F53 VanDerWaalsContact CG1-O 3.31Å; V13-F53 WeakPolarHBondContact CG1-O 3.27Å; V13-F53 HydrophobicContact CG2-CB 4.19Å; V13-F53 WeakPolarHBondContact CG2-O 3.42Å; D49-F53 WeakPolarHBondContact O-CA 3.48Å; D49-F53 PolarHBondContact O-N 3.46Å
54	R	97.8	Very high	94.8	Very high	47 Å²	47	74 Å²	74	18%	0.177	37%	0.372	C	S	.	.			trans	-78.8	142.7	179	-66.9	-171.8	-176.9	-76.6	0.3	109.9	M1 M10 E12 V13 D49 T52	M1-R54 HydrophobicContact SD-CB 4.02Å; M1-R54 HydrophobicContact SD-CG 4.49Å; M10-R54 PolarHBondContact O-NH2 3.3Å; E12-R54 PolarHBondContact O-NH1 3.21Å; V13-R54 HydrophobicContact CG2-CG 4.43Å; D49-R54 PolarHBondContact N-O 3.01Å; T52-R54 PolarHBondContact O-N 2.94Å; T52-R54 VanDerWaalsContact O-N 3.09Å; T52-R54 PolarHBondContact OG1-N 3.11Å
55	H	98	Very high	94.5	Very high	28 Å²	28	81 Å²	81	13%	0.13	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.5	177.4	-53.4	160.4	0	0	0	109.3	H34 L47 D48	H34-H55 AromaticContact CD2-CG 3.88Å; H34-H55 AromaticContact NE2-CG 3.8Å; L47-H55 WeakPolarHBondContact O-CA 3.4Å; D48-H55 IonicContact OD1-CD2 3.45Å; D48-H55 PolarHBondContact OD1-CD2 2.94Å; D48-H55 IonicContact OD1-CG 3.34Å; D48-H55 IonicContact OD1-NE2 2.93Å
56	S	97.3	Very high	94.4	Very high	26 Å²	26	82 Å²	82	18%	0.182	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160	171	55.8	0	0	0	0	110.9	H34 L47	H34-S56 PolarHBondContact CE1-O 3.39Å; L47-S56 PolarHBondContact N-O 3.13Å; L47-S56 PolarHBondContact O-N 2.78Å
57	V	96.4	Very high	94.1	Very high	16 Å²	16	84.1 Å²	84.1	10%	0.097	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.8	172.7	60.6	0	0	0	0	106.8	I36 V38 V44 E45 Y46 Y75	I36-V57 HydrophobicContact CB-CG1 4.32Å; I36-V57 HydrophobicContact CG2-CG1 3.86Å; V38-V57 HydrophobicContact CB-CG2 4.44Å; V38-V57 HydrophobicContact CG2-CG1 4.11Å; V38-V57 HydrophobicContact CG2-CG2 3.72Å; V44-V57 HydrophobicContact CG2-CG2 3.2Å; E45-V57 CarbonylContact O-C 3.55Å; E45-V57 WeakPolarHBondContact O-CA 3.49Å; Y46-V57 HydrophobicContact CD1-CB 3.96Å; Y46-V57 HydrophobicContact CD1-CG2 3.86Å; Y46-V57 HydrophobicContact CE1-CB 3.96Å; Y46-V57 HydrophobicContact CE1-CG2 3.62Å; Y46-V57 HydrophobicContact CE2-CG2 4.46Å; Y46-V57 HydrophobicContact CG-CG2 4.42Å; V57-Y75 HydrophobicContact CG1-CE1 4.12Å
58	V	95.4	Very high	93.7	Very high	65 Å²	65	82 Å²	82	39%	0.394	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.4	-175.1	-177.3	0	0	0	0	108.3	E45	E45-V58 PolarHBondContact N-O 3.33Å; E45-V58 PolarHBondContact O-N 2.72Å
59	V	95.2	Very high	93.3	Very high	26 Å²	26	84.6 Å²	84.6	16%	0.158	46%	0.459	C	S	.	.			trans	-132.6	146.8	171.4	-68.9	0	0	0	0	109.2	V38 N41 V44 Y61 I73	V38-V59 HydrophobicContact CB-CG1 4.29Å; V38-V59 HydrophobicContact CG1-CG1 3.99Å; V38-V59 HydrophobicContact CG2-CG1 4.11Å; N41-V59 HydrophobicContact CB-CG1 4.4Å; V44-V59 HydrophobicContact CB-CG1 4.03Å; V44-V59 HydrophobicContact CG2-CG1 4Å; V59-Y61 PolarHBondContact O-N 2.98Å; V59-I73 HydrophobicContact CG2-CD1 3.65Å; V59-I73 HydrophobicContact CG2-CG1 4.24Å; V59-I73 HydrophobicContact CG2-CG2 4.39Å
60	P	94	Very high	92.8	Very high	57 Å²	57	82.7 Å²	82.7	37%	0.37	45%	0.451	S	S	.	.			trans	-57.3	139.6	171.1	-23.5	33.6	0	0	0	110.8	R43 E62	R43-P60 HydrophobicContact CB-CG 3.84Å; R43-P60 WeakPolarHBondContact O-CD 3.42Å; P60-E62 PolarHBondContact O-N 2.8Å
61	Y	91.4	Very high	92.4	Very high	92 Å²	92	72.8 Å²	72.8	36%	0.361	42%	0.415	S	S	.	.			trans	-66.6	131.1	168.6	174.7	-103.3	0	0	0	109.7	V59 I184	V59-Y61 PolarHBondContact O-N 2.98Å; Y61-I184 HydrophobicContact CD2-CD1 4.18Å; Y61-I184 HydrophobicContact CE2-CB 4.35Å; Y61-I184 HydrophobicContact CE2-CD1 4.15Å; Y61-I184 HydrophobicContact CE2-CG2 3.99Å
62	E	89.7	Confident	92	Very high	69 Å²	69	68.8 Å²	68.8	32%	0.322	40%	0.396	S	S	.	.			trans	-119	132.1	175.3	-66.1	175.2	-156.4	0	0	107.7	N41 R43 P60 T71	N41-E62 PolarHBondContact ND2-OE1 3.31Å; R43-E62 IonicContact CZ-OE1 3.63Å; R43-E62 IonicContact NE-OE1 3.86Å; R43-E62 VanDerWaalsContact NH2-CG 3.31Å; R43-E62 IonicContact NH2-OE1 2.63Å; R43-E62 PolarHBondContact NH2-OE1 2.89Å; R43-E62 IonicContact NH2-OE2 3.95Å; P60-E62 PolarHBondContact O-N 2.8Å; E62-T71 HydrophobicContact CB-CG2 4.37Å; E62-T71 WeakPolarHBondContact O-CB 3.36Å; E62-T71 WeakPolarHBondContact O-CG2 3.45Å; E62-T71 PolarHBondContact O-OG1 3.03Å
63	P	87.8	Confident	91.7	Very high	97 Å²	97	67 Å²	67	63%	0.63	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-63.1	155.9	176.5	27.9	-34	0	0	0	110.7
64	P	90	Very high	91.4	Very high	38 Å²	38	64.2 Å²	64.2	25%	0.247	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-53.6	142.5	177.1	-27.5	35.7	0	0	0	112.6	S68	P64-S68 VanDerWaalsContact CB-O 3.27Å; P64-S68 WeakPolarHBondContact CB-O 3.31Å
65	E	88.4	Confident	91.1	Very high	162 Å²	162	62.9 Å²	62.9	76%	0.757	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-65.5	156.3	173.5	-63.7	-176.6	-174.5	0	0	111.2	G67 S68	E65-G67 PolarHBondContact O-N 3.46Å; E65-G67 VanDerWaalsContact O-N 3.13Å; E65-S68 WeakPolarHBondContact O-CB 3.27Å; E65-S68 PolarHBondContact O-N 2.86Å
66	V	92.1	Very high	90.9	Very high	160 Å²	160	63.8 Å²	63.8	97%	0.97	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	121.6	178.9	-179.2	0	0	0	0	110.1
67	G	91	Very high	90.8	Very high	87 Å²	87	64.3 Å²	64.3	90%	0.897	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	2.7	-176.7	0	0	0	0	0	114.6	E65	E65-G67 PolarHBondContact O-N 3.46Å; E65-G67 VanDerWaalsContact O-N 3.13Å
68	S	88.3	Confident	90.7	Very high	45 Å²	45	65.5 Å²	65.5	32%	0.315	38%	0.376	S	S	.	.			trans	-110.8	141.1	168.4	-176.3	0	0	0	0	110.4	P64 E65 C70	P64-S68 VanDerWaalsContact CB-O 3.27Å; P64-S68 WeakPolarHBondContact CB-O 3.31Å; E65-S68 WeakPolarHBondContact O-CB 3.27Å; E65-S68 PolarHBondContact O-N 2.86Å; S68-C70 PolarHBondContact OG-N 2.89Å; S68-C70 VanDerWaalsContact OG-N 3.13Å; S68-C70 PolarHBondContact OG-O 3.38Å; S68-C70 PolarHBondContact OG-SG 2.84Å
69	D	88.5	Confident	90.7	Very high	136 Å²	136	62.6 Å²	62.6	73%	0.727	36%	0.359	S	S	*	.	S	Bend	trans	-84.5	-3.2	172.1	-59.6	-36.6	0	0	0	112.1	N185	D69-N185 WeakPolarHBondContact O-CA 3.15Å; D69-N185 PolarHBondContact O-OD1 2.83Å
70	C	83.9	Confident	90.7	Very high	16 Å²	16	64.5 Å²	64.5	11%	0.108	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.9	-166.1	70.6	0	0	0	0	115.2	S68 L183 I184	S68-C70 PolarHBondContact OG-N 2.89Å; S68-C70 VanDerWaalsContact OG-N 3.13Å; S68-C70 PolarHBondContact OG-O 3.38Å; S68-C70 PolarHBondContact OG-SG 2.84Å; C70-L183 HydrophobicContact CB-CB 3.81Å; C70-L183 HydrophobicContact CB-CD2 3.86Å; C70-L183 HydrophobicContact CB-CG 4.42Å; C70-L183 WeakPolarHBondContact SG-CD2 3.44Å; C70-I184 VanDerWaalsContact CA-O 3.27Å; C70-I184 WeakPolarHBondContact CA-O 3.44Å
71	T	86.8	Confident	90.7	Very high	19 Å²	19	62.2 Å²	62.2	12%	0.117	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	171.8	-52.6	0	0	0	0	110.9	E62 F182 I184	E62-T71 HydrophobicContact CB-CG2 4.37Å; E62-T71 WeakPolarHBondContact O-CB 3.36Å; E62-T71 WeakPolarHBondContact O-CG2 3.45Å; E62-T71 PolarHBondContact O-OG1 3.03Å; T71-F182 CarbonylContact O-C 3.57Å; T71-I184 PolarHBondContact O-N 2.98Å
72	T	87.2	Confident	90.9	Very high	60 Å²	60	60.6 Å²	60.6	37%	0.368	36%	0.355	S	S	.	.			trans	-110.8	132.3	-178.3	-59.2	0	0	0	0	112.1	Y181 F182	T72-Y181 HydrophobicContact CG2-CD1 3.66Å; T72-Y181 HydrophobicContact CG2-CG 4.36Å; T72-F182 VanDerWaalsContact CA-O 3.27Å; T72-F182 WeakPolarHBondContact CA-O 3.46Å; T72-F182 PolarHBondContact OG1-O 3.35Å
73	I	89.4	Confident	91.2	Very high	31 Å²	31	58.1 Å²	58.1	16%	0.159	35%	0.346	C	S	.	.			trans	-117.3	127.4	173.5	-57.1	167	0	0	0	108.7	V38 V59 Y75	V38-I73 HydrophobicContact CG1-CG2 3.84Å; V38-I73 HydrophobicContact CG2-CG2 4.15Å; V59-I73 HydrophobicContact CG2-CD1 3.65Å; V59-I73 HydrophobicContact CG2-CG1 4.24Å; V59-I73 HydrophobicContact CG2-CG2 4.39Å; I73-Y75 HydrophobicContact CB-CD2 4.29Å; I73-Y75 HydrophobicContact CB-CE2 3.7Å; I73-Y75 HydrophobicContact CG2-CD2 3.91Å; I73-Y75 HydrophobicContact CG2-CE1 4.08Å; I73-Y75 HydrophobicContact CG2-CE2 3.42Å; I73-Y75 VanDerWaalsContact CG2-CE2 3.42Å; I73-Y75 HydrophobicContact CG2-CG 4.48Å
74	H	90.1	Very high	91.7	Very high	71 Å²	71	59.9 Å²	59.9	33%	0.329	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	110.5	179.4	-60.2	135.7	0	0	0	111	V38 E39 Y181	V38-H74 WeakPolarHBondContact CA-O 3.17Å; E39-H74 HydrophobicContact CB-CB 4.16Å; E39-H74 PolarHBondContact N-O 3.47Å; H74-Y181 AromaticContact CD2-CD1 3.64Å; H74-Y181 AromaticContact CD2-CE1 3.56Å; H74-Y181 AromaticContact NE2-CD1 3.77Å; H74-Y181 AromaticContact NE2-CE1 3.53Å
75	Y	93.1	Very high	91.9	Very high	20 Å²	20	61 Å²	61	8%	0.078	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.5	178.8	-68	-83	0	0	0	112.6	I36 R37 V38 V57 I73 I96 F182	I36-Y75 HydrophobicContact CG2-CD1 3.47Å; I36-Y75 VanDerWaalsContact CG2-CD1 3.47Å; I36-Y75 HydrophobicContact CG2-CE1 4.15Å; I36-Y75 HydrophobicContact CG2-CG 4.3Å; R37-Y75 CarbonylContact O-C 3.6Å; R37-Y75 VanDerWaalsContact O-CA 3.3Å; R37-Y75 WeakPolarHBondContact O-CA 3.4Å; V38-Y75 HydrophobicContact CG2-CD1 3.74Å; V38-Y75 HydrophobicContact CG2-CE1 3.58Å; V57-Y75 HydrophobicContact CG1-CE1 4.12Å; I73-Y75 HydrophobicContact CB-CD2 4.29Å; I73-Y75 HydrophobicContact CB-CE2 3.7Å; I73-Y75 HydrophobicContact CG2-CD2 3.91Å; I73-Y75 HydrophobicContact CG2-CE1 4.08Å; I73-Y75 HydrophobicContact CG2-CE2 3.42Å; I73-Y75 VanDerWaalsContact CG2-CE2 3.42Å; I73-Y75 HydrophobicContact CG2-CG 4.48Å; Y75-I96 HydrophobicContact CE2-CD1 4.45Å; Y75-F182 AromaticContact CD2-CD2 3.63Å; Y75-F182 HydrophobicContact CD2-CD2 3.63Å; Y75-F182 AromaticContact CD2-CE2 3.23Å; Y75-F182 HydrophobicContact CD2-CE2 3.23Å; Y75-F182 HydrophobicContact CD2-CZ 4.27Å; Y75-F182 AromaticContact CE2-CD2 3.44Å; Y75-F182 HydrophobicContact CE2-CD2 3.44Å; Y75-F182 VanDerWaalsContact CE2-CD2 3.44Å; Y75-F182 AromaticContact CE2-CE2 3.24Å; Y75-F182 HydrophobicContact CE2-CE2 3.24Å; Y75-F182 HydrophobicContact CE2-CG 4.45Å; Y75-F182 HydrophobicContact CE2-CZ 4.09Å; Y75-F182 HydrophobicContact CG-CE2 4.37Å
76	N	92.8	Very high	92.2	Very high	47 Å²	47	53.4 Å²	53.4	25%	0.251	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.7	174	-75.2	-28	0	0	0	111.1	I36 R37 E39 M78 W179	I36-N76 CarbonylContact C-O 3.6Å; I36-N76 WeakPolarHBondContact CA-O 3.2Å; R37-N76 HydrophobicContact CB-CB 4.3Å; R37-N76 PolarHBondContact N-O 2.81Å; R37-N76 PolarHBondContact O-N 2.9Å; E39-N76 PolarHBondContact OE2-ND2 2.82Å; N76-M78 HydrophobicContact CB-SD 3.79Å; N76-W179 WeakPolarHBondContact OD1-CZ3 3.4Å
77	Y	95.7	Very high	92.5	Very high	37 Å²	37	45.8 Å²	45.8	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.7	176.5	-68.5	-96.1	0	0	0	110.7	L35 I36 C79 T94 F111 V113 V115	L35-Y77 HydrophobicContact CD2-CD1 4.45Å; L35-Y77 HydrophobicContact CG-CD1 4.32Å; L35-Y77 WeakPolarHBondContact O-CA 3.41Å; I36-Y77 HydrophobicContact CD1-CE1 3.94Å; I36-Y77 HydrophobicContact CG1-CD1 4.05Å; I36-Y77 HydrophobicContact CG1-CE1 3.73Å; Y77-C79 VanDerWaalsContact C-N 3.32Å; Y77-C79 PolarHBondContact O-N 3.28Å; Y77-T94 WeakPolarHBondContact CE1-OG1 3.18Å; Y77-T94 WeakPolarHBondContact OH-CB 3.09Å; Y77-T94 PolarHBondContact OH-OG1 3.27Å; Y77-F111 WeakPolarHBondContact OH-CZ 3.23Å; Y77-V113 HydrophobicContact CD1-CG1 3.96Å; Y77-V113 HydrophobicContact CD2-CG1 4.38Å; Y77-V113 HydrophobicContact CE1-CB 4.25Å; Y77-V113 HydrophobicContact CE1-CG1 3.75Å; Y77-V113 HydrophobicContact CE1-CG2 4.05Å; Y77-V113 HydrophobicContact CE2-CG1 4.19Å; Y77-V113 HydrophobicContact CG-CG1 4.28Å; Y77-V115 VanDerWaalsContact CB-CG2 3.48Å; Y77-V115 HydrophobicContact CD1-CG2 4.26Å; Y77-V115 HydrophobicContact CG-CG2 3.95Å
78	M	94.6	Very high	92.8	Very high	41 Å²	41	44.9 Å²	44.9	20%	0.202	26%	0.259	C	S	.	.			trans	-93.2	19.7	-162.1	-53.5	-51.5	-64.7	0	0	114.6	R16 L35 R37 N76	R16-M78 HydrophobicContact CG-CB 4.32Å; R16-M78 PolarHBondContact NE-O 3.35Å; R16-M78 VanDerWaalsContact NE-O 3.11Å; L35-M78 PolarHBondContact O-N 2.82Å; R37-M78 HydrophobicContact CB-CG 4.43Å; R37-M78 HydrophobicContact CG-CG 3.65Å; R37-M78 HydrophobicContact CG-SD 4.2Å; N76-M78 HydrophobicContact CB-SD 3.79Å
79	C	95.1	Very high	93.2	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.027	28%	0.278	C	S	.	.	S	Bend	trans	-152.6	142.8	172.9	-88.5	0	0	0	0	110.2	R16 C17 H20 L35 Y77 M87 V115	R16-C79 VanDerWaalsContact CA-SG 3.6Å; C17-C79 PolarHBondContact N-SG 2.94Å; C17-C79 VanDerWaalsContact N-SG 3.38Å; H20-C79 VanDerWaalsContact CB-SG 3.59Å; H20-C79 PolarHBondContact ND1-SG 3.13Å; L35-C79 HydrophobicContact CD1-CB 3.71Å; Y77-C79 VanDerWaalsContact C-N 3.32Å; Y77-C79 PolarHBondContact O-N 3.28Å; C79-M87 HydrophobicContact CB-CE 3.89Å; C79-M87 WeakPolarHBondContact O-CE 3.3Å; C79-V115 VanDerWaalsContact O-CB 3.27Å; C79-V115 WeakPolarHBondContact O-CB 3.1Å; C79-V115 VanDerWaalsContact O-CG1 3.3Å; C79-V115 WeakPolarHBondContact O-CG1 3.46Å; C79-V115 WeakPolarHBondContact O-CG2 3.36Å
80	N	94.5	Very high	93.6	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	25%	0.25	S	S	.	.			trans	-66.7	146.1	165.5	-70.4	-47.4	0	0	0	110.5	S82 C83 M87	N80-S82 PolarHBondContact O-N 3.19Å; N80-S82 VanDerWaalsContact O-N 3.1Å; N80-C83 PolarHBondContact N-SG 3.1Å; N80-C83 VanDerWaalsContact O-CB 3.3Å; N80-C83 WeakPolarHBondContact O-CB 3.43Å; N80-C83 PolarHBondContact O-N 3.22Å; N80-C83 PolarHBondContact O-SG 2.79Å; N80-C83 VanDerWaalsContact O-SG 3.4Å; N80-M87 WeakPolarHBondContact O-CE 3.38Å
81	S	94.5	Very high	94.2	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.063	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.8	175.3	-64.4	0	0	0	0	112.1	C83 R89 V115	S81-C83 VanDerWaalsContact C-N 3.35Å; S81-R89 VanDerWaalsContact O-CA 3.27Å; S81-R89 WeakPolarHBondContact O-CA 3.37Å; S81-R89 PolarHBondContact O-N 3.46Å; S81-V115 PolarHBondContact N-O 3.22Å; S81-V115 PolarHBondContact OG-N 3.17Å; S81-V115 PolarHBondContact OG-O 3.4Å
82	S	95.3	Very high	94.7	Very high	57 Å²	57	46.9 Å²	46.9	40%	0.399	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.3	177.7	57.2	0	0	0	0	115.2	N80 M84	N80-S82 PolarHBondContact O-N 3.19Å; N80-S82 VanDerWaalsContact O-N 3.1Å; S82-M84 PolarHBondContact O-N 3.05Å; S82-M84 VanDerWaalsContact O-N 3.16Å
83	C	96.6	Very high	95.2	Very high	17 Å²	17	46 Å²	46	12%	0.115	24%	0.242	C	C	.	.			trans	-60.4	119.5	-177.6	-77.6	0	0	0	0	111.9	C17 H20 N80 S81 G86 N88	C17-C83 HydrophobicContact CB-CB 3.84Å; H20-C83 PolarHBondContact CE1-SG 3Å; N80-C83 PolarHBondContact N-SG 3.1Å; N80-C83 VanDerWaalsContact O-CB 3.3Å; N80-C83 WeakPolarHBondContact O-CB 3.43Å; N80-C83 PolarHBondContact O-N 3.22Å; N80-C83 PolarHBondContact O-SG 2.79Å; N80-C83 VanDerWaalsContact O-SG 3.4Å; S81-C83 VanDerWaalsContact C-N 3.35Å; C83-G86 PolarHBondContact O-N 2.73Å; C83-N88 WeakPolarHBondContact O-CA 3.32Å; C83-N88 PolarHBondContact O-N 3.22Å
84	M	97	Very high	95.6	Very high	135 Å²	135	44.6 Å²	44.6	67%	0.665	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	138.6	176.4	-61.6	-60.9	-64	0	0	110.7	C17 S82 G86 N88	C17-M84 WeakPolarHBondContact CB-O 3.26Å; S82-M84 PolarHBondContact O-N 3.05Å; S82-M84 VanDerWaalsContact O-N 3.16Å; M84-G86 PolarHBondContact O-N 2.86Å; M84-N88 PolarHBondContact SD-OD1 3.43Å
85	G	94.9	Very high	95.9	Very high	60 Å²	60	42.5 Å²	42.5	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	-1.2	-177.8	0	0	0	0	0	115.4
86	G	95.9	Very high	96	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-115.3	169	0	0	0	0	0	110.7	Y4 C83 M84 N88 R90	Y4-G86 PolarHBondContact OH-O 3.14Å; C83-G86 PolarHBondContact O-N 2.73Å; M84-G86 PolarHBondContact O-N 2.86Å; G86-N88 VanDerWaalsContact C-N 3.29Å; G86-N88 PolarHBondContact O-N 3.14Å; G86-R90 PolarHBondContact O-NH2 3.38Å; G86-R90 VanDerWaalsContact O-NH2 3.09Å
87	M	96.9	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.9	175.2	-73.7	-174	-82.6	0	0	113.1	Y4 V14 L35 C79 N80 R89 R90 I92 V115	Y4-M87 HydrophobicContact CE1-CB 4.47Å; Y4-M87 HydrophobicContact CE1-CG 4.39Å; Y4-M87 WeakPolarHBondContact OH-CA 3.46Å; V14-M87 HydrophobicContact CG1-CG 4.43Å; L35-M87 HydrophobicContact CD1-CE 3.91Å; L35-M87 HydrophobicContact CD2-CE 4.23Å; L35-M87 HydrophobicContact CD2-SD 4.03Å; C79-M87 HydrophobicContact CB-CE 3.89Å; C79-M87 WeakPolarHBondContact O-CE 3.3Å; N80-M87 WeakPolarHBondContact O-CE 3.38Å; M87-R89 PolarHBondContact O-N 3.25Å; M87-R90 VanDerWaalsContact O-CB 3.25Å; M87-R90 WeakPolarHBondContact O-CB 3.42Å; M87-R90 WeakPolarHBondContact O-CG 3.48Å; M87-R90 PolarHBondContact O-N 2.91Å; M87-R90 PolarHBondContact O-NE 3.05Å; M87-I92 HydrophobicContact CG-CG2 4.2Å; M87-I92 HydrophobicContact SD-CD1 3.73Å; M87-I92 HydrophobicContact SD-CG1 4.09Å; M87-I92 HydrophobicContact SD-CG2 3.97Å; M87-V115 HydrophobicContact CE-CG2 4.5Å
88	N	97.4	Very high	96.1	Very high	68 Å²	68	42.3 Å²	42.3	36%	0.364	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	49.1	174.5	-165.1	32.2	0	0	0	114	C83 M84 G86 R90	C83-N88 WeakPolarHBondContact O-CA 3.32Å; C83-N88 PolarHBondContact O-N 3.22Å; M84-N88 PolarHBondContact SD-OD1 3.43Å; G86-N88 VanDerWaalsContact C-N 3.29Å; G86-N88 PolarHBondContact O-N 3.14Å; N88-R90 PolarHBondContact O-N 2.9Å
89	R	96.8	Very high	96	Very high	189 Å²	189	44.4 Å²	44.4	71%	0.713	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	10.8	-179.4	-54	173.4	178.2	-97.1	-0.3	115.1	S81 M87	S81-R89 VanDerWaalsContact O-CA 3.27Å; S81-R89 WeakPolarHBondContact O-CA 3.37Å; S81-R89 PolarHBondContact O-N 3.46Å; M87-R89 PolarHBondContact O-N 3.25Å
90	R	97.6	Very high	95.9	Very high	40 Å²	40	46.9 Å²	46.9	15%	0.151	25%	0.252	C	S	.	.			trans	-83.3	132.2	175.3	-60.3	174.8	-71.8	178.2	0	110.1	Y4 H9 E12 G86 M87 N88	Y4-R90 HydrophobicContact CD1-CB 3.69Å; Y4-R90 HydrophobicContact CE1-CB 3.78Å; Y4-R90 PolarHBondContact OH-NH2 2.93Å; H9-R90 VanDerWaalsContact CD2-CD 3.41Å; H9-R90 WeakPolarHBondContact CD2-CD 3.5Å; H9-R90 PolarHBondContact ND1-NH1 3.02Å; H9-R90 VanDerWaalsContact ND1-NH1 3.17Å; E12-R90 VanDerWaalsContact CD-NH1 3.26Å; E12-R90 IonicContact OE1-NH1 3.3Å; E12-R90 PolarHBondContact OE1-NH1 2.61Å; E12-R90 IonicContact OE2-CZ 3.53Å; E12-R90 IonicContact OE2-NH1 3.79Å; E12-R90 PolarHBondContact OE2-NH1 3.03Å; E12-R90 IonicContact OE2-NH2 3.73Å; E12-R90 PolarHBondContact OE2-NH2 3.09Å; G86-R90 PolarHBondContact O-NH2 3.38Å; G86-R90 VanDerWaalsContact O-NH2 3.09Å; M87-R90 VanDerWaalsContact O-CB 3.25Å; M87-R90 WeakPolarHBondContact O-CB 3.42Å; M87-R90 WeakPolarHBondContact O-CG 3.48Å; M87-R90 PolarHBondContact O-N 2.91Å; M87-R90 PolarHBondContact O-NE 3.05Å; N88-R90 PolarHBondContact O-N 2.9Å
91	P	96.2	Very high	95.7	Very high	30 Å²	30	49.9 Å²	49.9	20%	0.195	28%	0.278	C	S	.	.			trans	-68.5	143.8	177.9	27.1	-32.7	0	0	0	110.9	K5 Q6 E112	K5-P91 HydrophobicContact CB-CB 4.18Å; K5-P91 HydrophobicContact CB-CG 4.13Å; K5-P91 HydrophobicContact CD-CB 4.29Å; K5-P91 HydrophobicContact CD-CG 4.46Å; K5-P91 PolarHBondContact N-O 3.1Å; Q6-P91 HydrophobicContact CG-CG 4.15Å; P91-E112 WeakPolarHBondContact CB-OE1 3.19Å
92	I	97.6	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.2	178.2	60.6	162.7	0	0	0	110.8	A2 I3 Y4 V14 L35 M87 E112 V113	A2-I92 HydrophobicContact CB-CD1 4.4Å; I3-I92 CarbonylContact O-C 3.59Å; I3-I92 WeakPolarHBondContact O-CA 3.34Å; I3-I92 WeakPolarHBondContact O-CB 3.42Å; Y4-I92 HydrophobicContact CD1-CG2 3.64Å; Y4-I92 HydrophobicContact CE1-CG2 3.82Å; Y4-I92 HydrophobicContact CG-CG2 4.48Å; V14-I92 HydrophobicContact CG1-CG2 4.23Å; V14-I92 HydrophobicContact CG2-CG2 4.08Å; L35-I92 HydrophobicContact CD2-CD1 3.61Å; M87-I92 HydrophobicContact CG-CG2 4.2Å; M87-I92 HydrophobicContact SD-CD1 3.73Å; M87-I92 HydrophobicContact SD-CG1 4.09Å; M87-I92 HydrophobicContact SD-CG2 3.97Å; I92-E112 WeakPolarHBondContact O-CA 3.4Å; I92-V113 HydrophobicContact CD1-CB 4.16Å; I92-V113 HydrophobicContact CG1-CB 4.06Å; I92-V113 PolarHBondContact O-N 3.38Å
93	L	97.5	Very high	95.3	Very high	41 Å²	41	53.4 Å²	53.4	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.8	164.9	-59.5	176.8	0	0	0	108.6	A2 I3 K5 F111 E112	A2-L93 CarbonylContact C-O 3.6Å; A2-L93 WeakPolarHBondContact CA-O 3.29Å; I3-L93 HydrophobicContact CD1-CD1 4.5Å; I3-L93 HydrophobicContact CG1-CB 3.99Å; I3-L93 PolarHBondContact N-O 3Å; I3-L93 PolarHBondContact O-N 3.1Å; K5-L93 HydrophobicContact CB-CD2 4.38Å; K5-L93 HydrophobicContact CB-CG 4Å; K5-L93 HydrophobicContact CD-CD2 4.2Å; K5-L93 HydrophobicContact CG-CD1 4.38Å; K5-L93 HydrophobicContact CG-CD2 4.2Å; K5-L93 HydrophobicContact CG-CG 4.16Å; L93-F111 CarbonylContact C-O 3.57Å; L93-F111 VanDerWaalsContact CA-O 3.31Å; L93-F111 WeakPolarHBondContact CA-O 3.27Å; L93-E112 HydrophobicContact CD2-CB 3.91Å
94	T	97	Very high	95.1	Very high	1 Å²	1	57 Å²	57	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.5	162.7	-65.9	0	0	0	0	108.1	M1 I36 Y77 I96 S110 F111 V113	M1-T94 CarbonylContact O-C 3.48Å; M1-T94 WeakPolarHBondContact O-CA 3.36Å; I36-T94 HydrophobicContact CD1-CG2 3.91Å; Y77-T94 WeakPolarHBondContact CE1-OG1 3.18Å; Y77-T94 WeakPolarHBondContact OH-CB 3.09Å; Y77-T94 PolarHBondContact OH-OG1 3.27Å; T94-I96 HydrophobicContact CG2-CD1 3.74Å; T94-I96 HydrophobicContact CG2-CG1 4.41Å; T94-S110 WeakPolarHBondContact O-CA 3.41Å; T94-S110 WeakPolarHBondContact O-CB 3.31Å; T94-F111 VanDerWaalsContact CB-CZ 3.47Å; T94-F111 HydrophobicContact CG2-CE1 3.55Å; T94-F111 HydrophobicContact CG2-CZ 3.59Å; T94-F111 PolarHBondContact N-O 3.26Å; T94-F111 PolarHBondContact O-N 3.08Å; T94-V113 WeakPolarHBondContact OG1-CG2 3.15Å
95	I	96.2	Very high	94.9	Very high	27 Å²	27	54.4 Å²	54.4	14%	0.138	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126	174.5	-57.6	171.7	0	0	0	107.6	M1 I3 T97 R108	M1-I95 HydrophobicContact CE-CD1 4.27Å; M1-I95 PolarHBondContact N-O 3.11Å; M1-I95 PolarHBondContact O-N 2.98Å; I3-I95 HydrophobicContact CD1-CD1 3.65Å; I3-I95 HydrophobicContact CG1-CD1 3.92Å; I3-I95 HydrophobicContact CG1-CG1 4.44Å; I3-I95 HydrophobicContact CG2-CD1 4.3Å; I95-T97 HydrophobicContact CG2-CG2 4.21Å; I95-R108 HydrophobicContact CG2-CG 3.82Å
96	I	96.1	Very high	94.8	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.108	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.9	172.9	-52.7	-58	0	0	0	107.8	Y75 T94 R108 N109 F111 F182	Y75-I96 HydrophobicContact CE2-CD1 4.45Å; T94-I96 HydrophobicContact CG2-CD1 3.74Å; T94-I96 HydrophobicContact CG2-CG1 4.41Å; I96-R108 WeakPolarHBondContact O-CA 3.38Å; I96-N109 PolarHBondContact N-O 3.31Å; I96-N109 PolarHBondContact O-N 2.86Å; I96-N109 VanDerWaalsContact O-O 3.13Å; I96-F111 HydrophobicContact CD1-CE1 4.43Å; I96-F111 HydrophobicContact CG1-CE1 4.06Å; I96-F182 HydrophobicContact CD1-CE1 4.25Å; I96-F182 HydrophobicContact CD1-CZ 3.92Å; I96-F182 HydrophobicContact CG1-CD1 4.44Å; I96-F182 HydrophobicContact CG1-CE1 3.61Å; I96-F182 HydrophobicContact CG1-CZ 3.79Å
97	T	95.1	Very high	94.6	Very high	49 Å²	49	57.9 Å²	57.9	30%	0.301	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.3	176.7	45.7	0	0	0	0	108.5	I95 E99 L105 G107 R108	I95-T97 HydrophobicContact CG2-CG2 4.21Å; T97-E99 VanDerWaalsContact CB-OE1 3.28Å; T97-E99 WeakPolarHBondContact CB-OE1 3.26Å; T97-E99 PolarHBondContact OG1-OE1 3.09Å; T97-L105 HydrophobicContact CG2-CD1 3.46Å; T97-L105 VanDerWaalsContact CG2-CD1 3.46Å; T97-G107 CarbonylContact C-O 3.58Å; T97-G107 WeakPolarHBondContact CA-O 3.48Å; T97-R108 HydrophobicContact CG2-CB 4.46Å; T97-R108 HydrophobicContact CG2-CG 4.2Å
98	L	94.8	Very high	94.4	Very high	30 Å²	30	65.8 Å²	65.8	16%	0.157	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.3	163	-178	66.5	0	0	0	106.1	L106 G107 F169	L98-L106 HydrophobicContact CB-CB 4.41Å; L98-L106 HydrophobicContact CD2-CB 4.19Å; L98-L106 HydrophobicContact CG-CB 4.1Å; L98-L106 HydrophobicContact CG-CD1 4.34Å; L98-L106 WeakPolarHBondContact O-CA 3.3Å; L98-L106 WeakPolarHBondContact O-CB 3.18Å; L98-L106 PolarHBondContact O-N 2.94Å; L98-G107 PolarHBondContact N-O 2.89Å; L98-G107 PolarHBondContact O-N 2.81Å; L98-G107 VanDerWaalsContact O-N 3.16Å; L98-F169 HydrophobicContact CD2-CB 4.11Å; L98-F169 HydrophobicContact CD2-CD2 4.19Å; L98-F169 HydrophobicContact CD2-CG 4.27Å
99	E	93.6	Very high	94.2	Very high	86 Å²	86	65.5 Å²	65.5	40%	0.402	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.8	-172.8	-67.2	171.6	-167.4	0	0	109.9	T97 N104	T97-E99 VanDerWaalsContact CB-OE1 3.28Å; T97-E99 WeakPolarHBondContact CB-OE1 3.26Å; T97-E99 PolarHBondContact OG1-OE1 3.09Å; E99-N104 CarbonylContact C-O 3.56Å; E99-N104 WeakPolarHBondContact CA-O 3.17Å
100	D	91.9	Very high	94	Very high	55 Å²	55	59.3 Å²	59.3	29%	0.294	34%	0.339	S	S	.	.			trans	-77.5	176.7	168.7	74.2	11.3	0	0	0	111.3	S102 G103 N104 L106	D100-S102 PolarHBondContact O-N 3.39Å; D100-S102 VanDerWaalsContact O-N 3.1Å; D100-S102 VanDerWaalsContact OD1-CA 3.29Å; D100-S102 WeakPolarHBondContact OD1-CA 3.28Å; D100-S102 WeakPolarHBondContact OD1-CB 3.47Å; D100-S102 PolarHBondContact OD1-N 3.2Å; D100-G103 PolarHBondContact O-N 3.32Å; D100-G103 PolarHBondContact OD1-N 3.34Å; D100-N104 PolarHBondContact N-O 2.67Å; D100-N104 PolarHBondContact OD1-N 3.02Å; D100-N104 PolarHBondContact OD1-ND2 3.2Å; D100-N104 WeakPolarHBondContact OD2-CB 3.35Å; D100-N104 PolarHBondContact OD2-ND2 3.17Å; D100-L106 HydrophobicContact CB-CD1 4.14Å; D100-L106 HydrophobicContact CB-CD2 4.36Å; D100-L106 HydrophobicContact CB-CG 4.31Å
101	S	92	Very high	93.8	Very high	130 Å²	130	58.5 Å²	58.5	91%	0.909	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-14	179.2	56.6	0	0	0	0	114.5
102	S	92.4	Very high	93.8	Very high	96 Å²	96	61.7 Å²	61.7	67%	0.671	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	0	175.6	-56.8	0	0	0	0	112.5	D100	D100-S102 PolarHBondContact O-N 3.39Å; D100-S102 VanDerWaalsContact O-N 3.1Å; D100-S102 VanDerWaalsContact OD1-CA 3.29Å; D100-S102 WeakPolarHBondContact OD1-CA 3.28Å; D100-S102 WeakPolarHBondContact OD1-CB 3.47Å; D100-S102 PolarHBondContact OD1-N 3.2Å
103	G	88.4	Confident	93.7	Very high	44 Å²	44	62.2 Å²	62.2	45%	0.454	35%	0.352	S	S	.	.			trans	81.1	12.9	-176.5	0	0	0	0	0	114.2	D100	D100-G103 PolarHBondContact O-N 3.32Å; D100-G103 PolarHBondContact OD1-N 3.34Å
104	N	92.1	Very high	93.5	Very high	93 Å²	93	66.4 Å²	66.4	50%	0.497	37%	0.365	S	S	.	.			trans	-77.5	139.9	175.5	-54.2	-59.9	0	0	0	110.6	E99 D100 L106	E99-N104 CarbonylContact C-O 3.56Å; E99-N104 WeakPolarHBondContact CA-O 3.17Å; D100-N104 PolarHBondContact N-O 2.67Å; D100-N104 PolarHBondContact OD1-N 3.02Å; D100-N104 PolarHBondContact OD1-ND2 3.2Å; D100-N104 WeakPolarHBondContact OD2-CB 3.35Å; D100-N104 PolarHBondContact OD2-ND2 3.17Å; N104-L106 PolarHBondContact O-N 2.87Å
105	L	93.6	Very high	93.4	Very high	79 Å²	79	67.7 Å²	67.7	41%	0.414	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118	-178	-172.9	71.9	0	0	0	111.9	T97 G107 R108	T97-L105 HydrophobicContact CG2-CD1 3.46Å; T97-L105 VanDerWaalsContact CG2-CD1 3.46Å; L105-G107 WeakPolarHBondContact CD1-O 3.2Å; L105-R108 HydrophobicContact CD1-CB 4.32Å; L105-R108 HydrophobicContact CD2-CB 4.37Å
106	L	92.4	Very high	93.2	Very high	113 Å²	113	67.5 Å²	67.5	59%	0.592	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	-33.4	170.9	-57.7	178.6	0	0	0	111.8	L98 D100 N104	L98-L106 HydrophobicContact CB-CB 4.41Å; L98-L106 HydrophobicContact CD2-CB 4.19Å; L98-L106 HydrophobicContact CG-CB 4.1Å; L98-L106 HydrophobicContact CG-CD1 4.34Å; L98-L106 WeakPolarHBondContact O-CA 3.3Å; L98-L106 WeakPolarHBondContact O-CB 3.18Å; L98-L106 PolarHBondContact O-N 2.94Å; D100-L106 HydrophobicContact CB-CD1 4.14Å; D100-L106 HydrophobicContact CB-CD2 4.36Å; D100-L106 HydrophobicContact CB-CG 4.31Å; N104-L106 PolarHBondContact O-N 2.87Å
107	G	90.8	Very high	92.8	Very high	24 Å²	24	71 Å²	71	25%	0.247	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	156.6	-179.2	0	0	0	0	0	113.1	T97 L98 L105	T97-G107 CarbonylContact C-O 3.58Å; T97-G107 WeakPolarHBondContact CA-O 3.48Å; L98-G107 PolarHBondContact N-O 2.89Å; L98-G107 PolarHBondContact O-N 2.81Å; L98-G107 VanDerWaalsContact O-N 3.16Å; L105-G107 WeakPolarHBondContact CD1-O 3.2Å
108	R	92.8	Very high	92.6	Very high	165 Å²	165	71.1 Å²	71.1	62%	0.623	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143	136.4	179.7	-176.9	175.4	-74.8	143.7	-3	111.3	I95 I96 T97 L105	I95-R108 HydrophobicContact CG2-CG 3.82Å; I96-R108 WeakPolarHBondContact O-CA 3.38Å; T97-R108 HydrophobicContact CG2-CB 4.46Å; T97-R108 HydrophobicContact CG2-CG 4.2Å; L105-R108 HydrophobicContact CD1-CB 4.32Å; L105-R108 HydrophobicContact CD2-CB 4.37Å
109	N	93.4	Very high	92.3	Very high	62 Å²	62	72.3 Å²	72.3	33%	0.332	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.1	168	-159.1	-4.9	0	0	0	110.1	I96 L171	I96-N109 PolarHBondContact N-O 3.31Å; I96-N109 PolarHBondContact O-N 2.86Å; I96-N109 VanDerWaalsContact O-O 3.13Å; N109-L171 HydrophobicContact CB-CB 4.25Å; N109-L171 HydrophobicContact CB-CD1 4Å; N109-L171 PolarHBondContact ND2-O 2.86Å; N109-L171 VanDerWaalsContact ND2-O 3.14Å
110	S	93	Very high	92	Very high	60 Å²	60	69 Å²	69	42%	0.42	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.7	179.6	65	0	0	0	0	113	T94	T94-S110 WeakPolarHBondContact O-CA 3.41Å; T94-S110 WeakPolarHBondContact O-CB 3.31Å
111	F	93.8	Very high	91.9	Very high	22 Å²	22	73.1 Å²	73.1	10%	0.096	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.3	-179.3	60	-75.1	0	0	0	110.8	Y77 L93 T94 I96 V113 M173 F182	Y77-F111 WeakPolarHBondContact OH-CZ 3.23Å; L93-F111 CarbonylContact C-O 3.57Å; L93-F111 VanDerWaalsContact CA-O 3.31Å; L93-F111 WeakPolarHBondContact CA-O 3.27Å; T94-F111 VanDerWaalsContact CB-CZ 3.47Å; T94-F111 HydrophobicContact CG2-CE1 3.55Å; T94-F111 HydrophobicContact CG2-CZ 3.59Å; T94-F111 PolarHBondContact N-O 3.26Å; T94-F111 PolarHBondContact O-N 3.08Å; I96-F111 HydrophobicContact CD1-CE1 4.43Å; I96-F111 HydrophobicContact CG1-CE1 4.06Å; F111-V113 HydrophobicContact CD2-CG2 3.63Å; F111-V113 HydrophobicContact CE2-CG2 3.32Å; F111-V113 HydrophobicContact CZ-CG2 4.16Å; F111-M173 HydrophobicContact CB-CE 3.66Å; F111-M173 HydrophobicContact CB-SD 3.63Å; F111-M173 HydrophobicContact CD1-CE 3.18Å; F111-M173 HydrophobicContact CD1-SD 3.3Å; F111-M173 WeakPolarHBondContact CD1-SD 3.45Å; F111-M173 HydrophobicContact CD2-CE 3.34Å; F111-M173 HydrophobicContact CD2-SD 4.39Å; F111-M173 HydrophobicContact CE1-CE 3.56Å; F111-M173 HydrophobicContact CE1-SD 4.04Å; F111-M173 HydrophobicContact CE2-CE 3.66Å; F111-M173 HydrophobicContact CG-CE 3.08Å; F111-M173 HydrophobicContact CG-SD 3.53Å; F111-M173 VanDerWaalsContact CG-SD 3.53Å; F111-M173 HydrophobicContact CZ-CE 3.78Å; F111-F182 HydrophobicContact CD1-CE1 4.25Å; F111-F182 HydrophobicContact CD1-CZ 4.31Å; F111-F182 AromaticContact CE1-CE1 3.6Å; F111-F182 HydrophobicContact CE1-CE1 3.6Å; F111-F182 AromaticContact CE1-CZ 3.3Å; F111-F182 HydrophobicContact CE1-CZ 3.3Å; F111-F182 HydrophobicContact CE2-CZ 4.48Å; F111-F182 HydrophobicContact CZ-CE1 4.13Å; F111-F182 HydrophobicContact CZ-CE2 4.29Å; F111-F182 AromaticContact CZ-CZ 3.4Å; F111-F182 HydrophobicContact CZ-CZ 3.4Å
112	E	94.8	Very high	91.8	Very high	98 Å²	98	67.9 Å²	67.9	46%	0.458	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.8	176.9	-177.9	166.5	-164.4	0	0	111.3	K5 P91 I92 L93	K5-E112 HydrophobicContact CD-CG 4.47Å; K5-E112 VanDerWaalsContact NZ-CD 3.32Å; K5-E112 IonicContact NZ-OE1 3.65Å; K5-E112 PolarHBondContact NZ-OE1 3.47Å; K5-E112 IonicContact NZ-OE2 2.76Å; K5-E112 PolarHBondContact NZ-OE2 3.24Å; P91-E112 WeakPolarHBondContact CB-OE1 3.19Å; I92-E112 WeakPolarHBondContact O-CA 3.4Å; L93-E112 HydrophobicContact CD2-CB 3.91Å
113	V	95.1	Very high	91.7	Very high	11 Å²	11	69.2 Å²	69.2	7%	0.067	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.9	-178.9	-176.5	0	0	0	0	111.1	Y77 I92 T94 F111 V115	Y77-V113 HydrophobicContact CD1-CG1 3.96Å; Y77-V113 HydrophobicContact CD2-CG1 4.38Å; Y77-V113 HydrophobicContact CE1-CB 4.25Å; Y77-V113 HydrophobicContact CE1-CG1 3.75Å; Y77-V113 HydrophobicContact CE1-CG2 4.05Å; Y77-V113 HydrophobicContact CE2-CG1 4.19Å; Y77-V113 HydrophobicContact CG-CG1 4.28Å; I92-V113 HydrophobicContact CD1-CB 4.16Å; I92-V113 HydrophobicContact CG1-CB 4.06Å; I92-V113 PolarHBondContact O-N 3.38Å; T94-V113 WeakPolarHBondContact OG1-CG2 3.15Å; F111-V113 HydrophobicContact CD2-CG2 3.63Å; F111-V113 HydrophobicContact CE2-CG2 3.32Å; F111-V113 HydrophobicContact CZ-CG2 4.16Å; V113-V115 HydrophobicContact CG1-CG2 4.02Å
114	R	94.3	Very high	91.9	Very high	129 Å²	129	75 Å²	75	49%	0.487	38%	0.378	S	S	.	.			trans	-124.1	109.3	169.4	-178.5	-177.4	172.9	84.9	-1.6	109.9	C116 D122 E126	R114-C116 HydrophobicContact CG-CB 4.31Å; R114-D122 IonicContact CZ-OD2 2.98Å; R114-D122 IonicContact NE-OD2 3.65Å; R114-D122 PolarHBondContact NE-OD2 2.91Å; R114-D122 IonicContact NH2-OD2 3.91Å; R114-D122 PolarHBondContact NH2-OD2 3.05Å; R114-E126 VanDerWaalsContact CD-OE1 3.23Å; R114-E126 WeakPolarHBondContact CD-OE1 3.41Å; R114-E126 IonicContact NE-OE1 3.86Å
115	V	93.9	Very high	92	Very high	27 Å²	27	73.6 Å²	73.6	16%	0.164	37%	0.373	C	S	.	.			trans	-89.9	113.6	174.8	-168.9	0	0	0	0	108.3	Y77 C79 S81 M87 V113	Y77-V115 VanDerWaalsContact CB-CG2 3.48Å; Y77-V115 HydrophobicContact CD1-CG2 4.26Å; Y77-V115 HydrophobicContact CG-CG2 3.95Å; C79-V115 VanDerWaalsContact O-CB 3.27Å; C79-V115 WeakPolarHBondContact O-CB 3.1Å; C79-V115 VanDerWaalsContact O-CG1 3.3Å; C79-V115 WeakPolarHBondContact O-CG1 3.46Å; C79-V115 WeakPolarHBondContact O-CG2 3.36Å; S81-V115 PolarHBondContact N-O 3.22Å; S81-V115 PolarHBondContact OG-N 3.17Å; S81-V115 PolarHBondContact OG-O 3.4Å; M87-V115 HydrophobicContact CE-CG2 4.5Å; V113-V115 HydrophobicContact CG1-CG2 4.02Å
116	C	92.1	Very high	91.8	Very high	24 Å²	24	74.2 Å²	74.2	16%	0.162	37%	0.374	C	S	.	.			trans	-147.6	163	-172.6	62	0	0	0	0	111.9	R114 C118	R114-C116 HydrophobicContact CG-CB 4.31Å; C116-C118 VanDerWaalsContact C-N 3.3Å; C116-C118 PolarHBondContact O-N 3.49Å
117	A	89.3	Confident	91.8	Very high	94 Å²	94	73 Å²	73	78%	0.777	37%	0.365	S	S	*	.	S	Bend	trans	-71.1	-22.2	-177.7	0	0	0	0	0	113.9
118	C	90.2	Very high	91.9	Very high	51 Å²	51	76.5 Å²	76.5	35%	0.345	38%	0.375	S	S	.	.			trans	-136.2	68.8	-176.5	-55.8	0	0	0	0	111.9	C116 G120 R121 D122	C116-C118 VanDerWaalsContact C-N 3.3Å; C116-C118 PolarHBondContact O-N 3.49Å; C118-G120 VanDerWaalsContact C-N 3.34Å; C118-G120 PolarHBondContact O-N 3.16Å; C118-R121 HydrophobicContact CB-CB 4.1Å; C118-R121 PolarHBondContact O-N 3.49Å; C118-R121 VanDerWaalsContact O-N 3.08Å; C118-D122 PolarHBondContact O-N 2.99Å
119	P	88.3	Confident	92	Very high	56 Å²	56	72.3 Å²	72.3	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-54.3	-44.5	-172.4	-26.7	35	0	0	0	114	R121 D122 R123	P119-R121 VanDerWaalsContact C-N 3.32Å; P119-R121 PolarHBondContact O-N 3.28Å; P119-D122 PolarHBondContact O-N 3.28Å; P119-R123 VanDerWaalsContact O-CB 3.23Å; P119-R123 WeakPolarHBondContact O-CB 3.34Å; P119-R123 PolarHBondContact O-N 2.96Å
120	G	88.3	Confident	91.8	Very high	16 Å²	16	75.2 Å²	75.2	17%	0.165	38%	0.38	C	S	.	.	H	α-helix	trans	-69.9	-24.8	-178.3	0	0	0	0	0	114.6	C118 R124 L177	C118-G120 VanDerWaalsContact C-N 3.34Å; C118-G120 PolarHBondContact O-N 3.16Å; G120-R124 WeakPolarHBondContact O-CG 3.3Å; G120-R124 PolarHBondContact O-NE 2.91Å; G120-L177 VanDerWaalsContact CA-CD2 3.44Å
121	R	89.8	Confident	91.7	Very high	141 Å²	141	81.5 Å²	81.5	53%	0.532	39%	0.394	S	S	.	.	H	α-helix	trans	-77.7	-53.3	172.3	-177.1	-164.6	64.9	-160.8	-5.3	109.6	C118 P119 R123 R124 T125	C118-R121 HydrophobicContact CB-CB 4.1Å; C118-R121 PolarHBondContact O-N 3.49Å; C118-R121 VanDerWaalsContact O-N 3.08Å; P119-R121 VanDerWaalsContact C-N 3.32Å; P119-R121 PolarHBondContact O-N 3.28Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 2.97Å; R121-R124 PolarHBondContact O-N 2.75Å; R121-R124 VanDerWaalsContact O-N 3.15Å; R121-T125 PolarHBondContact O-N 3.4Å; R121-T125 PolarHBondContact O-OG1 3.4Å
122	D	88.3	Confident	91.5	Very high	21 Å²	21	86.1 Å²	86.1	11%	0.112	42%	0.415	C	S	.	.	H	α-helix	trans	-58.9	-42.6	-177	-76	25.3	0	0	0	110.7	R114 C118 P119 R124 T125 E126	R114-D122 IonicContact CZ-OD2 2.98Å; R114-D122 IonicContact NE-OD2 3.65Å; R114-D122 PolarHBondContact NE-OD2 2.91Å; R114-D122 IonicContact NH2-OD2 3.91Å; R114-D122 PolarHBondContact NH2-OD2 3.05Å; C118-D122 PolarHBondContact O-N 2.99Å; P119-D122 PolarHBondContact O-N 3.28Å; D122-R124 PolarHBondContact O-N 3.1Å; D122-T125 PolarHBondContact O-N 2.88Å; D122-E126 WeakPolarHBondContact O-CB 3.43Å; D122-E126 WeakPolarHBondContact O-CG 3.3Å; D122-E126 PolarHBondContact O-N 3.43Å
123	R	91.3	Very high	90.8	Very high	123 Å²	123	90.2 Å²	90.2	46%	0.464	43%	0.431	S	S	.	.	H	α-helix	trans	-57.8	-49.8	173.9	-177.8	174	72.4	97.4	-9.9	112.7	P119 R121 T125 E126 E127	P119-R123 VanDerWaalsContact O-CB 3.23Å; P119-R123 WeakPolarHBondContact O-CB 3.34Å; P119-R123 PolarHBondContact O-N 2.96Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 2.97Å; R123-T125 VanDerWaalsContact C-N 3.31Å; R123-T125 PolarHBondContact O-N 2.82Å; R123-E126 PolarHBondContact O-N 3.19Å; R123-E127 WeakPolarHBondContact CD-OE1 3.38Å; R123-E127 HydrophobicContact CG-CG 4.34Å; R123-E127 VanDerWaalsContact CG-OE1 3.24Å; R123-E127 WeakPolarHBondContact CG-OE1 3.43Å; R123-E127 IonicContact CZ-OE1 3.91Å; R123-E127 IonicContact NE-OE1 2.61Å; R123-E127 IonicContact NH1-OE1 3.03Å; R123-E127 PolarHBondContact NH1-OE1 3.32Å; R123-E127 IonicContact NH1-OE2 3.43Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 WeakPolarHBondContact O-CG 3.41Å; R123-E127 PolarHBondContact O-N 3.06Å
124	R	92.1	Very high	89.1	Confident	166 Å²	166	92.5 Å²	92.5	63%	0.626	46%	0.457	S	S	*	.	H	α-helix	trans	-60.1	-42.7	178.7	-79.5	-176.7	-73.2	-169.2	0.6	111.5	G120 R121 D122 E128	G120-R124 WeakPolarHBondContact O-CG 3.3Å; G120-R124 PolarHBondContact O-NE 2.91Å; R121-R124 PolarHBondContact O-N 2.75Å; R121-R124 VanDerWaalsContact O-N 3.15Å; D122-R124 PolarHBondContact O-N 3.1Å; R124-E128 VanDerWaalsContact O-CB 3.29Å; R124-E128 WeakPolarHBondContact O-CB 3.27Å; R124-E128 PolarHBondContact O-N 3.37Å
125	T	93.4	Very high	87.1	Confident	64 Å²	64	93 Å²	93	39%	0.393	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-42.9	176.9	-60.2	0	0	0	0	111.8	R121 D122 R123 E128 N129	R121-T125 PolarHBondContact O-N 3.4Å; R121-T125 PolarHBondContact O-OG1 3.4Å; D122-T125 PolarHBondContact O-N 2.88Å; R123-T125 VanDerWaalsContact C-N 3.31Å; R123-T125 PolarHBondContact O-N 2.82Å; T125-E128 PolarHBondContact O-N 2.6Å; T125-N129 WeakPolarHBondContact O-CB 3.27Å; T125-N129 PolarHBondContact O-N 3.43Å; T125-N129 PolarHBondContact O-ND2 3.3Å
126	E	90.7	Very high	84.9	Confident	92 Å²	92	96.8 Å²	96.8	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-46.8	177	-74.1	176.1	-178.6	0	0	111.8	R114 D122 R123 E128 N129 L130	R114-E126 VanDerWaalsContact CD-OE1 3.23Å; R114-E126 WeakPolarHBondContact CD-OE1 3.41Å; R114-E126 IonicContact NE-OE1 3.86Å; D122-E126 WeakPolarHBondContact O-CB 3.43Å; D122-E126 WeakPolarHBondContact O-CG 3.3Å; D122-E126 PolarHBondContact O-N 3.43Å; R123-E126 PolarHBondContact O-N 3.19Å; E126-E128 PolarHBondContact O-N 2.85Å; E126-N129 PolarHBondContact O-N 2.95Å; E126-L130 VanDerWaalsContact O-CG 3.3Å; E126-L130 WeakPolarHBondContact O-CG 3.49Å; E126-L130 PolarHBondContact O-N 3.24Å
127	E	91.6	Very high	82.5	Confident	88 Å²	88	103.8 Å²	103.8	41%	0.411	52%	0.52	S	S	.	.	H	α-helix	trans	-59.5	-43.5	175.3	-72.6	173.2	-171.1	0	0	111.9	R123 L130 R131	R123-E127 WeakPolarHBondContact CD-OE1 3.38Å; R123-E127 HydrophobicContact CG-CG 4.34Å; R123-E127 VanDerWaalsContact CG-OE1 3.24Å; R123-E127 WeakPolarHBondContact CG-OE1 3.43Å; R123-E127 IonicContact CZ-OE1 3.91Å; R123-E127 IonicContact NE-OE1 2.61Å; R123-E127 IonicContact NH1-OE1 3.03Å; R123-E127 PolarHBondContact NH1-OE1 3.32Å; R123-E127 IonicContact NH1-OE2 3.43Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 WeakPolarHBondContact O-CG 3.41Å; R123-E127 PolarHBondContact O-N 3.06Å; E127-L130 PolarHBondContact O-N 2.87Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 2.88Å
128	E	94.4	Very high	80.3	Confident	96 Å²	96	106.7 Å²	106.7	45%	0.449	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.3	-173.9	-177.9	172.5	0	0	112.1	R124 T125 E126 L130 R131 K132	R124-E128 VanDerWaalsContact O-CB 3.29Å; R124-E128 WeakPolarHBondContact O-CB 3.27Å; R124-E128 PolarHBondContact O-N 3.37Å; T125-E128 PolarHBondContact O-N 2.6Å; E126-E128 PolarHBondContact O-N 2.85Å; E128-L130 VanDerWaalsContact C-N 3.31Å; E128-L130 PolarHBondContact O-N 3.5Å; E128-R131 PolarHBondContact O-N 3.36Å; E128-K132 HydrophobicContact CG-CD 4.36Å; E128-K132 WeakPolarHBondContact O-CG 3.39Å; E128-K132 PolarHBondContact O-N 2.76Å; E128-K132 WeakPolarHBondContact OE1-CE 3.25Å; E128-K132 IonicContact OE1-NZ 2.65Å; E128-K132 PolarHBondContact OE1-NZ 2.87Å
129	N	93.1	Very high	77.8	Confident	77 Å²	77	112 Å²	112	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-36.2	176.9	-73.9	-28.9	0	0	0	112.2	T125 E126 K133	T125-N129 WeakPolarHBondContact O-CB 3.27Å; T125-N129 PolarHBondContact O-N 3.43Å; T125-N129 PolarHBondContact O-ND2 3.3Å; E126-N129 PolarHBondContact O-N 2.95Å; N129-K133 WeakPolarHBondContact O-CB 3.23Å; N129-K133 WeakPolarHBondContact O-CG 3.23Å; N129-K133 PolarHBondContact O-N 3.26Å; N129-K133 VanDerWaalsContact O-N 3.08Å
130	L	90.4	Very high	75.4	Confident	124 Å²	124	116 Å²	116	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-66	-42.3	174.4	-71.1	170.7	0	0	0	111.3	E126 E127 E128 K133 G134	E126-L130 VanDerWaalsContact O-CG 3.3Å; E126-L130 WeakPolarHBondContact O-CG 3.49Å; E126-L130 PolarHBondContact O-N 3.24Å; E127-L130 PolarHBondContact O-N 2.87Å; E128-L130 VanDerWaalsContact C-N 3.31Å; E128-L130 PolarHBondContact O-N 3.5Å; L130-K133 PolarHBondContact O-N 3.41Å; L130-G134 PolarHBondContact O-N 3.24Å; L130-G134 VanDerWaalsContact O-N 3.14Å
131	R	90.8	Very high	73.6	Confident	191 Å²	191	120.4 Å²	120.4	72%	0.721	58%	0.58	S	S	*	*	H	α-helix	trans	-61.4	-46.9	175.6	-70.3	176.4	69	-163.2	-0.1	111.8	E127 E128 K133 G134 E135	E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 2.88Å; E128-R131 PolarHBondContact O-N 3.36Å; R131-K133 VanDerWaalsContact C-N 3.3Å; R131-K133 PolarHBondContact O-N 2.94Å; R131-G134 PolarHBondContact O-N 3.45Å; R131-G134 VanDerWaalsContact O-N 3.09Å; R131-E135 PolarHBondContact O-N 3.35Å
132	K	89.8	Confident	71.1	Confident	120 Å²	120	120 Å²	120	52%	0.522	60%	0.596	S	S	.	*	H	α-helix	trans	-63.9	-32.5	178.4	-71.5	177.2	-177.1	170.6	0	113.4	E128 G134	E128-K132 HydrophobicContact CG-CD 4.36Å; E128-K132 WeakPolarHBondContact O-CG 3.39Å; E128-K132 PolarHBondContact O-N 2.76Å; E128-K132 WeakPolarHBondContact OE1-CE 3.25Å; E128-K132 IonicContact OE1-NZ 2.65Å; E128-K132 PolarHBondContact OE1-NZ 2.87Å; K132-G134 VanDerWaalsContact C-N 3.32Å
133	K	78.8	Confident	68.4	Low	183 Å²	183	122.7 Å²	122.7	80%	0.796	63%	0.628	S	S	*	*	H	α-helix	trans	-76.3	-19.8	175.1	-76.7	179.8	177.5	-175	0	113.5	N129 L130 R131	N129-K133 WeakPolarHBondContact O-CB 3.23Å; N129-K133 WeakPolarHBondContact O-CG 3.23Å; N129-K133 PolarHBondContact O-N 3.26Å; N129-K133 VanDerWaalsContact O-N 3.08Å; L130-K133 PolarHBondContact O-N 3.41Å; R131-K133 VanDerWaalsContact C-N 3.3Å; R131-K133 PolarHBondContact O-N 2.94Å
134	G	61.2	Low	65.8	Low	60 Å²	60	122.1 Å²	122.1	62%	0.619	64%	0.643	S	S	*	*	H	α-helix	trans	-89.2	-10.4	178.5	0	0	0	0	0	114.6	L130 R131 K132 P136	L130-G134 PolarHBondContact O-N 3.24Å; L130-G134 VanDerWaalsContact O-N 3.14Å; R131-G134 PolarHBondContact O-N 3.45Å; R131-G134 VanDerWaalsContact O-N 3.09Å; K132-G134 VanDerWaalsContact C-N 3.32Å; G134-P136 WeakPolarHBondContact O-CD 3.37Å
135	E	50.6	Low	63	Low	140 Å²	140	119.7 Å²	119.7	65%	0.654	65%	0.647	S	S	*	*	S	Bend	trans	-80.8	118.4	173.2	-73.1	179.6	167.5	0	0	109.4	R131 H137	R131-E135 PolarHBondContact O-N 3.35Å; E135-H137 PolarHBondContact O-N 3.14Å
136	P	47.8	Very low	60.4	Low	106 Å²	106	125 Å²	125	69%	0.688	66%	0.664	S	S	*	*			trans	-61.2	126	167.9	26.4	-31.4	0	0	0	107.5	G134 H138	G134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-H138 PolarHBondContact O-N 3.08Å
137	H	43.4	Very low	57.6	Low	171 Å²	171	131.3 Å²	131.3	79%	0.792	68%	0.684	S	S	*	*			trans	-53	99.5	178.8	-160.8	-96.8	0	0	0	109.7	E135 E139	E135-H137 PolarHBondContact O-N 3.14Å; H137-E139 PolarHBondContact O-N 3.05Å
138	H	42.9	Very low	54.8	Low	154 Å²	154	131.7 Å²	131.7	71%	0.713	70%	0.703	S	S	*	*			trans	-77.2	90.7	173.4	-118.5	-86.3	0	0	0	107.5	P136	P136-H138 PolarHBondContact O-N 3.08Å
139	E	38	Very low	51.9	Low	163 Å²	163	135 Å²	135	76%	0.762	72%	0.723	S	S	*	*			trans	-67.3	130.8	154.7	-70.4	-168.2	155.1	0	0	108.4	H137	H137-E139 PolarHBondContact O-N 3.05Å
140	L	35.9	Very low	50	Low	139 Å²	139	136 Å²	136	73%	0.728	73%	0.733	S	S	*	*			trans	-138	154.4	167.6	-75.7	172.8	0	0	0	108.3
141	P	51.8	Low	47.1	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	74%	0.742	S	S	*	*			cis	-134.4	-179.8	-31	35.4	-16.8	0	0	0	112.2
142	P	37.9	Very low	44.3	Very low	132 Å²	132	135.4 Å²	135.4	86%	0.857	75%	0.745	S	S	*	*				-146.3	151.7	111.9	35.6	-19.8	0	0	0	115.3
143	G	31.6	Very low	41.5	Very low	77 Å²	77	135.8 Å²	135.8	79%	0.794	76%	0.758	S	S	*	*			trans	109.6	112.8	147.2	0	0	0	0	0	117.5
144	S	35.7	Very low	39.3	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	76%	0.756	S	S	*	*			trans	-56	144.4	177	52.5	0	0	0	0	117
145	T	32.9	Very low	38.1	Very low	115 Å²	115	135.1 Å²	135.1	71%	0.706	77%	0.767	S	S	*	*				159	122.2	106.1	-57.5	0	0	0	0	112.9
146	K	39.8	Very low	37.3	Very low	174 Å²	174	133.7 Å²	133.7	76%	0.757	77%	0.772	S	S	*	*			trans	32.7	135.6	149.4	-57.2	174.2	177.6	176.3	0	119.1
147	R	31.6	Very low	36.8	Very low	225 Å²	225	134.4 Å²	134.4	85%	0.849	78%	0.777	S	S	*	*			cis	179.2	139	48.5	-142.8	178.8	-66.4	-146.6	3.4	111.6
148	A	32	Very low	36.5	Very low	97 Å²	97	135 Å²	135	80%	0.802	78%	0.78	S	S	*	*			trans	49.5	127.8	145.6	0	0	0	0	0	126.6
149	L	33.8	Very low	36.3	Very low	165 Å²	165	133.7 Å²	133.7	86%	0.864	79%	0.785	S	S	*	*			trans	-20.2	179	154.2	-106	75.4	0	0	0	121.8
150	P	54.5	Low	36.4	Very low	97 Å²	97	135.9 Å²	135.9	63%	0.63	79%	0.792	S	S	*	*			cis	-135.4	175	-32.9	32.7	-14	0	0	0	113.6
151	N	28.3	Very low	36.7	Very low	157 Å²	157	139 Å²	139	84%	0.84	80%	0.8	S	S	*	*				-175	141.1	127.3	-107.2	-8.7	0	0	0	116.1
152	N	32.4	Very low	36.2	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	81%	0.806	S	S	*	*			trans	-65.7	161.8	167.9	-62.9	-33	0	0	0	111.8
153	T	30.6	Very low	36.4	Very low	128 Å²	128	142.2 Å²	142.2	79%	0.785	80%	0.8	S	S	*	*				169.7	129.3	111.5	-52.1	0	0	0	0	112.2
154	S	32.8	Very low	37	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	80%	0.799	S	S	*	*			trans	59.2	109.1	147.6	61.1	0	0	0	0	122.5
155	S	35.9	Very low	37.3	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81	126.3	150.2	53.4	0	0	0	0	111.1
156	S	34.2	Very low	38	Very low	111 Å²	111	145.2 Å²	145.2	78%	0.776	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-88	136.9	169.4	178.5	0	0	0	0	110.7
157	P	36.2	Very low	38.4	Very low	120 Å²	120	144.6 Å²	144.6	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-82.7	131.2	175.2	1.5	15.7	0	0	0	111.6
158	Q	38.3	Very low	39.2	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-72.5	143.3	169.8	-70.5	-157	-18.5	0	0	111.8
159	P	39.1	Very low	40.1	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-75.4	132.6	-176	28	-32.1	0	0	0	112.7	K161	P159-K161 PolarHBondContact O-N 3.2Å
160	K	38.2	Very low	41	Very low	210 Å²	210	133.6 Å²	133.6	91%	0.913	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-66	121.7	171.9	-64.7	179.9	178.6	-178.5	0	109.8
161	K	43	Very low	40.9	Very low	204 Å²	204	130.4 Å²	130.4	89%	0.887	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-70.7	139	167.2	-71.5	-178.7	178.3	178.1	0	109.2	P159	P159-K161 PolarHBondContact O-N 3.2Å
162	K	41	Very low	42	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.6	137	178.3	-65.7	-178.1	177.5	-176.9	0	110.4
163	P	42.5	Very low	42.9	Very low	112 Å²	112	122.5 Å²	122.5	73%	0.727	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-66	143.7	170.9	-13.5	28.3	0	0	0	110.6	Y168	P163-Y168 HydrophobicContact CB-CE2 3.98Å
164	L	44.2	Very low	44	Very low	146 Å²	146	120.3 Å²	120.3	76%	0.764	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-75.3	149.2	168.4	-81.5	149.2	0	0	0	108.4	G166 Y168	L164-G166 VanDerWaalsContact C-N 3.34Å; L164-G166 PolarHBondContact O-N 2.98Å; L164-Y168 PolarHBondContact N-OH 3.06Å; L164-Y168 WeakPolarHBondContact O-CE2 3.47Å; L164-Y168 PolarHBondContact O-OH 2.94Å
165	D	42.8	Very low	44.6	Very low	180 Å²	180	120.7 Å²	120.7	96%	0.963	64%	0.638	S	S	*	*	S	Bend	trans	-70.4	86.1	179.9	-168.4	34.6	0	0	0	110.1
166	G	47.7	Very low	44.9	Very low	42 Å²	42	119.8 Å²	119.8	43%	0.433	62%	0.624	S	S	.	*	S	Bend	trans	-149	142.7	175.6	0	0	0	0	0	109.4	L164 Y168	L164-G166 VanDerWaalsContact C-N 3.34Å; L164-G166 PolarHBondContact O-N 2.98Å; G166-Y168 WeakPolarHBondContact O-CD2 3.48Å; G166-Y168 VanDerWaalsContact O-CE2 3.26Å; G166-Y168 WeakPolarHBondContact O-CE2 3.24Å; G166-Y168 PolarHBondContact O-N 2.92Å; G166-Y168 VanDerWaalsContact O-N 3.11Å
167	E	46.3	Very low	45	Very low	161 Å²	161	118.7 Å²	118.7	75%	0.752	61%	0.609	S	S	*	*			trans	-62.9	114.1	173.9	-66.5	-176.4	158.4	0	0	108.7	F169	E167-F169 HydrophobicContact CB-CE2 4.13Å; E167-F169 HydrophobicContact CB-CZ 4.15Å
168	Y	49.3	Very low	44.8	Very low	110 Å²	110	123.6 Å²	123.6	43%	0.431	61%	0.612	S	S	.	*			trans	-97.1	122	179.9	-67.9	-78.9	0	0	0	109.7	P163 L164 G166 S187	P163-Y168 HydrophobicContact CB-CE2 3.98Å; L164-Y168 PolarHBondContact N-OH 3.06Å; L164-Y168 WeakPolarHBondContact O-CE2 3.47Å; L164-Y168 PolarHBondContact O-OH 2.94Å; G166-Y168 WeakPolarHBondContact O-CD2 3.48Å; G166-Y168 VanDerWaalsContact O-CE2 3.26Å; G166-Y168 WeakPolarHBondContact O-CE2 3.24Å; G166-Y168 PolarHBondContact O-N 2.92Å; G166-Y168 VanDerWaalsContact O-N 3.11Å; Y168-S187 PolarHBondContact O-N 3.15Å
169	F	50.7	Low	44.6	Very low	78 Å²	78	118.7 Å²	118.7	34%	0.342	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	126.7	172.2	-56	-80.7	0	0	0	109.8	L98 E167 I184 N185	L98-F169 HydrophobicContact CD2-CB 4.11Å; L98-F169 HydrophobicContact CD2-CD2 4.19Å; L98-F169 HydrophobicContact CD2-CG 4.27Å; E167-F169 HydrophobicContact CB-CE2 4.13Å; E167-F169 HydrophobicContact CB-CZ 4.15Å; F169-I184 HydrophobicContact CB-CG2 4.33Å; F169-N185 CarbonylContact C-O 3.59Å; F169-N185 WeakPolarHBondContact CA-O 3.37Å
170	T	52.4	Low	44.5	Very low	67 Å²	67	113.8 Å²	113.8	41%	0.411	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	118	179.1	-56.7	0	0	0	0	110.1	Q172 I184 N185	T170-Q172 PolarHBondContact O-N 3.5Å; T170-I184 CarbonylContact O-C 3.59Å; T170-I184 VanDerWaalsContact O-CA 3.31Å; T170-I184 WeakPolarHBondContact O-CA 3.38Å; T170-N185 PolarHBondContact N-O 2.65Å; T170-N185 PolarHBondContact O-N 3.22Å
171	L	52.6	Low	44.4	Very low	31 Å²	31	106.8 Å²	106.8	16%	0.162	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	100.5	173	-63.8	172.6	0	0	0	110.2	N109 L183 I184	N109-L171 HydrophobicContact CB-CB 4.25Å; N109-L171 HydrophobicContact CB-CD1 4Å; N109-L171 PolarHBondContact ND2-O 2.86Å; N109-L171 VanDerWaalsContact ND2-O 3.14Å; L171-L183 CarbonylContact C-O 3.58Å; L171-I184 HydrophobicContact CD2-CB 4.27Å; L171-I184 HydrophobicContact CD2-CD1 3.6Å; L171-I184 HydrophobicContact CD2-CG1 3.57Å; L171-I184 HydrophobicContact CD2-CG2 4.02Å
172	Q	52.5	Low	44.3	Very low	91 Å²	91	97.4 Å²	97.4	43%	0.425	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.9	172.1	176.7	-178	0.4	0	0	110.8	T170 F182 L183 N185	T170-Q172 PolarHBondContact O-N 3.5Å; Q172-F182 CarbonylContact O-C 3.56Å; Q172-L183 WeakPolarHBondContact CA-O 3.43Å; Q172-L183 HydrophobicContact CB-CB 3.83Å; Q172-L183 HydrophobicContact CB-CD1 4.26Å; Q172-L183 VanDerWaalsContact CD-CD1 3.41Å; Q172-L183 HydrophobicContact CG-CB 4.21Å; Q172-L183 HydrophobicContact CG-CD1 3.73Å; Q172-L183 HydrophobicContact CG-CG 4.46Å; Q172-L183 PolarHBondContact N-O 3.09Å; Q172-L183 PolarHBondContact O-N 2.93Å; Q172-L183 VanDerWaalsContact O-O 3.14Å; Q172-N185 PolarHBondContact OE1-ND2 3.06Å; Q172-N185 VanDerWaalsContact OE1-ND2 3.14Å
173	M	51	Low	44.2	Very low	46 Å²	46	89.2 Å²	89.2	23%	0.227	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.6	-173.8	-73.8	-164.6	60.6	0	0	110.5	F111 L175 F182	F111-M173 HydrophobicContact CB-CE 3.66Å; F111-M173 HydrophobicContact CB-SD 3.63Å; F111-M173 HydrophobicContact CD1-CE 3.18Å; F111-M173 HydrophobicContact CD1-SD 3.3Å; F111-M173 WeakPolarHBondContact CD1-SD 3.45Å; F111-M173 HydrophobicContact CD2-CE 3.34Å; F111-M173 HydrophobicContact CD2-SD 4.39Å; F111-M173 HydrophobicContact CE1-CE 3.56Å; F111-M173 HydrophobicContact CE1-SD 4.04Å; F111-M173 HydrophobicContact CE2-CE 3.66Å; F111-M173 HydrophobicContact CG-CE 3.08Å; F111-M173 HydrophobicContact CG-SD 3.53Å; F111-M173 VanDerWaalsContact CG-SD 3.53Å; F111-M173 HydrophobicContact CZ-CE 3.78Å; M173-L175 HydrophobicContact CE-CD2 4.12Å; M173-F182 HydrophobicContact CE-CE1 3.78Å; M173-F182 HydrophobicContact CE-CZ 4.11Å; M173-F182 HydrophobicContact CG-CD1 3.88Å; M173-F182 HydrophobicContact CG-CE1 3.87Å; M173-F182 HydrophobicContact SD-CE1 3.92Å
174	L	52.8	Low	44	Very low	81 Å²	81	84.4 Å²	84.4	42%	0.424	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.2	171.9	-74.6	179.3	0	0	0	108.8	D176 Y181 L183	L174-D176 PolarHBondContact O-N 3.08Å; L174-Y181 CarbonylContact C-O 3.59Å; L174-Y181 PolarHBondContact N-O 3.35Å; L174-Y181 CarbonylContact O-C 3.47Å; L174-Y181 WeakPolarHBondContact O-CA 3.29Å; L174-Y181 WeakPolarHBondContact O-CB 3.36Å; L174-Y181 PolarHBondContact O-N 3.05Å; L174-L183 HydrophobicContact CD1-CD1 3.5Å; L174-L183 VanDerWaalsContact CD1-CD1 3.5Å; L174-L183 HydrophobicContact CD1-CD2 3.67Å; L174-L183 HydrophobicContact CD1-CG 3.71Å; L174-L183 HydrophobicContact CD2-CD1 4.2Å; L174-L183 HydrophobicContact CG-CD1 3.5Å; L174-L183 HydrophobicContact CG-CD2 4.34Å; L174-L183 HydrophobicContact CG-CG 3.82Å
175	L	45.6	Very low	43.5	Very low	118 Å²	118	79.2 Å²	79.2	62%	0.618	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	102.2	174.5	-62.4	172.9	0	0	0	108.6	M173 C180	M173-L175 HydrophobicContact CE-CD2 4.12Å; L175-C180 HydrophobicContact CD2-CB 4.26Å; L175-C180 WeakPolarHBondContact CD2-SG 3.33Å
176	D	41.9	Very low	43	Very low	100 Å²	100	73.6 Å²	73.6	54%	0.535	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	151.6	164.2	-160.9	-5.1	0	0	0	109.5	L174 R178 W179 Y181	L174-D176 PolarHBondContact O-N 3.08Å; D176-R178 PolarHBondContact O-N 3.38Å; D176-W179 PolarHBondContact N-O 3.26Å; D176-W179 VanDerWaalsContact N-O 3.08Å; D176-W179 CarbonylContact O-C 3.59Å; D176-W179 PolarHBondContact O-N 2.97Å; D176-Y181 HydrophobicContact CB-CD2 3.85Å; D176-Y181 HydrophobicContact CB-CE2 3.48Å; D176-Y181 VanDerWaalsContact CB-CE2 3.48Å
177	L	37.1	Very low	42.6	Very low	89 Å²	89	78.7 Å²	78.7	47%	0.466	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-4.8	-168.9	-69.7	169	0	0	0	115	G120	G120-L177 VanDerWaalsContact CA-CD2 3.44Å
178	R	30.9	Very low	42.4	Very low	222 Å²	222	74.6 Å²	74.6	84%	0.838	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-15.6	173.4	-87.5	179.5	169.2	177.1	-4.3	114.7	D176	D176-R178 PolarHBondContact O-N 3.38Å
179	W	34.1	Very low	42	Very low	82 Å²	82	72.7 Å²	72.7	31%	0.311	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	130.6	-167.2	-58.1	102.3	0	0	0	110.7	E39 N76 D176 Y181	E39-W179 WeakPolarHBondContact OE2-CH2 3.3Å; E39-W179 WeakPolarHBondContact OE2-CZ3 3.36Å; N76-W179 WeakPolarHBondContact OD1-CZ3 3.4Å; D176-W179 PolarHBondContact N-O 3.26Å; D176-W179 VanDerWaalsContact N-O 3.08Å; D176-W179 CarbonylContact O-C 3.59Å; D176-W179 PolarHBondContact O-N 2.97Å; W179-Y181 HydrophobicContact CB-CD1 4.22Å; W179-Y181 HydrophobicContact CB-CD2 4.15Å; W179-Y181 HydrophobicContact CB-CE1 3.7Å; W179-Y181 HydrophobicContact CB-CE2 3.65Å; W179-Y181 HydrophobicContact CB-CG 4.43Å; W179-Y181 AromaticContact CD1-CZ 3.86Å; W179-Y181 HydrophobicContact CG-CE1 4.19Å; W179-Y181 HydrophobicContact CG-CE2 4.41Å; W179-Y181 AromaticContact CG-CZ 3.8Å; W179-Y181 PolarHBondContact O-N 3.45Å
180	C	38	Very low	41.5	Very low	23 Å²	23	72.4 Å²	72.4	16%	0.155	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	103.3	163.5	-74.2	0	0	0	0	107.5	L175 F182	L175-C180 HydrophobicContact CD2-CB 4.26Å; L175-C180 WeakPolarHBondContact CD2-SG 3.33Å; C180-F182 HydrophobicContact CB-CE2 4.3Å
181	Y	35.9	Very low	40.9	Very low	63 Å²	63	72.7 Å²	72.7	25%	0.247	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.8	170.4	-56	-71.1	0	0	0	109.5	T72 H74 L174 D176 W179	T72-Y181 HydrophobicContact CG2-CD1 3.66Å; T72-Y181 HydrophobicContact CG2-CG 4.36Å; H74-Y181 AromaticContact CD2-CD1 3.64Å; H74-Y181 AromaticContact CD2-CE1 3.56Å; H74-Y181 AromaticContact NE2-CD1 3.77Å; H74-Y181 AromaticContact NE2-CE1 3.53Å; L174-Y181 CarbonylContact C-O 3.59Å; L174-Y181 PolarHBondContact N-O 3.35Å; L174-Y181 CarbonylContact O-C 3.47Å; L174-Y181 WeakPolarHBondContact O-CA 3.29Å; L174-Y181 WeakPolarHBondContact O-CB 3.36Å; L174-Y181 PolarHBondContact O-N 3.05Å; D176-Y181 HydrophobicContact CB-CD2 3.85Å; D176-Y181 HydrophobicContact CB-CE2 3.48Å; D176-Y181 VanDerWaalsContact CB-CE2 3.48Å; W179-Y181 HydrophobicContact CB-CD1 4.22Å; W179-Y181 HydrophobicContact CB-CD2 4.15Å; W179-Y181 HydrophobicContact CB-CE1 3.7Å; W179-Y181 HydrophobicContact CB-CE2 3.65Å; W179-Y181 HydrophobicContact CB-CG 4.43Å; W179-Y181 AromaticContact CD1-CZ 3.86Å; W179-Y181 HydrophobicContact CG-CE1 4.19Å; W179-Y181 HydrophobicContact CG-CE2 4.41Å; W179-Y181 AromaticContact CG-CZ 3.8Å; W179-Y181 PolarHBondContact O-N 3.45Å
182	F	41.3	Very low	40.2	Very low	7 Å²	7	75.3 Å²	75.3	3%	0.031	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147	170.3	-66.7	-92.8	0	0	0	108.5	T71 T72 Y75 I96 F111 Q172 M173 C180	T71-F182 CarbonylContact O-C 3.57Å; T72-F182 VanDerWaalsContact CA-O 3.27Å; T72-F182 WeakPolarHBondContact CA-O 3.46Å; T72-F182 PolarHBondContact OG1-O 3.35Å; Y75-F182 AromaticContact CD2-CD2 3.63Å; Y75-F182 HydrophobicContact CD2-CD2 3.63Å; Y75-F182 AromaticContact CD2-CE2 3.23Å; Y75-F182 HydrophobicContact CD2-CE2 3.23Å; Y75-F182 HydrophobicContact CD2-CZ 4.27Å; Y75-F182 AromaticContact CE2-CD2 3.44Å; Y75-F182 HydrophobicContact CE2-CD2 3.44Å; Y75-F182 VanDerWaalsContact CE2-CD2 3.44Å; Y75-F182 AromaticContact CE2-CE2 3.24Å; Y75-F182 HydrophobicContact CE2-CE2 3.24Å; Y75-F182 HydrophobicContact CE2-CG 4.45Å; Y75-F182 HydrophobicContact CE2-CZ 4.09Å; Y75-F182 HydrophobicContact CG-CE2 4.37Å; I96-F182 HydrophobicContact CD1-CE1 4.25Å; I96-F182 HydrophobicContact CD1-CZ 3.92Å; I96-F182 HydrophobicContact CG1-CD1 4.44Å; I96-F182 HydrophobicContact CG1-CE1 3.61Å; I96-F182 HydrophobicContact CG1-CZ 3.79Å; F111-F182 HydrophobicContact CD1-CE1 4.25Å; F111-F182 HydrophobicContact CD1-CZ 4.31Å; F111-F182 AromaticContact CE1-CE1 3.6Å; F111-F182 HydrophobicContact CE1-CE1 3.6Å; F111-F182 AromaticContact CE1-CZ 3.3Å; F111-F182 HydrophobicContact CE1-CZ 3.3Å; F111-F182 HydrophobicContact CE2-CZ 4.48Å; F111-F182 HydrophobicContact CZ-CE1 4.13Å; F111-F182 HydrophobicContact CZ-CE2 4.29Å; F111-F182 AromaticContact CZ-CZ 3.4Å; F111-F182 HydrophobicContact CZ-CZ 3.4Å; Q172-F182 CarbonylContact O-C 3.56Å; M173-F182 HydrophobicContact CE-CE1 3.78Å; M173-F182 HydrophobicContact CE-CZ 4.11Å; M173-F182 HydrophobicContact CG-CD1 3.88Å; M173-F182 HydrophobicContact CG-CE1 3.87Å; M173-F182 HydrophobicContact SD-CE1 3.92Å; C180-F182 HydrophobicContact CB-CE2 4.3Å
183	L	38.8	Very low	39.3	Very low	24 Å²	24	74.3 Å²	74.3	13%	0.126	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114	174.7	-62.4	178.4	0	0	0	106.2	C70 L171 Q172 L174	C70-L183 HydrophobicContact CB-CB 3.81Å; C70-L183 HydrophobicContact CB-CD2 3.86Å; C70-L183 HydrophobicContact CB-CG 4.42Å; C70-L183 WeakPolarHBondContact SG-CD2 3.44Å; L171-L183 CarbonylContact C-O 3.58Å; Q172-L183 WeakPolarHBondContact CA-O 3.43Å; Q172-L183 HydrophobicContact CB-CB 3.83Å; Q172-L183 HydrophobicContact CB-CD1 4.26Å; Q172-L183 VanDerWaalsContact CD-CD1 3.41Å; Q172-L183 HydrophobicContact CG-CB 4.21Å; Q172-L183 HydrophobicContact CG-CD1 3.73Å; Q172-L183 HydrophobicContact CG-CG 4.46Å; Q172-L183 PolarHBondContact N-O 3.09Å; Q172-L183 PolarHBondContact O-N 2.93Å; Q172-L183 VanDerWaalsContact O-O 3.14Å; L174-L183 HydrophobicContact CD1-CD1 3.5Å; L174-L183 VanDerWaalsContact CD1-CD1 3.5Å; L174-L183 HydrophobicContact CD1-CD2 3.67Å; L174-L183 HydrophobicContact CD1-CG 3.71Å; L174-L183 HydrophobicContact CD2-CD1 4.2Å; L174-L183 HydrophobicContact CG-CD1 3.5Å; L174-L183 HydrophobicContact CG-CD2 4.34Å; L174-L183 HydrophobicContact CG-CG 3.82Å
184	I	39.3	Very low	38.5	Very low	12 Å²	12	76.3 Å²	76.3	6%	0.062	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	102.9	171.4	-45.6	-169.4	0	0	0	108.8	Y61 C70 T71 F169 T170 L171	Y61-I184 HydrophobicContact CD2-CD1 4.18Å; Y61-I184 HydrophobicContact CE2-CB 4.35Å; Y61-I184 HydrophobicContact CE2-CD1 4.15Å; Y61-I184 HydrophobicContact CE2-CG2 3.99Å; C70-I184 VanDerWaalsContact CA-O 3.27Å; C70-I184 WeakPolarHBondContact CA-O 3.44Å; T71-I184 PolarHBondContact O-N 2.98Å; F169-I184 HydrophobicContact CB-CG2 4.33Å; T170-I184 CarbonylContact O-C 3.59Å; T170-I184 VanDerWaalsContact O-CA 3.31Å; T170-I184 WeakPolarHBondContact O-CA 3.38Å; L171-I184 HydrophobicContact CD2-CB 4.27Å; L171-I184 HydrophobicContact CD2-CD1 3.6Å; L171-I184 HydrophobicContact CD2-CG1 3.57Å; L171-I184 HydrophobicContact CD2-CG2 4.02Å
185	N	33.2	Very low	37.4	Very low	36 Å²	36	75.9 Å²	75.9	19%	0.193	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.9	178	-54.9	-48.9	0	0	0	110.7	D69 F169 T170 Q172	D69-N185 WeakPolarHBondContact O-CA 3.15Å; D69-N185 PolarHBondContact O-OD1 2.83Å; F169-N185 CarbonylContact C-O 3.59Å; F169-N185 WeakPolarHBondContact CA-O 3.37Å; T170-N185 PolarHBondContact N-O 2.65Å; T170-N185 PolarHBondContact O-N 3.22Å; Q172-N185 PolarHBondContact OE1-ND2 3.06Å; Q172-N185 VanDerWaalsContact OE1-ND2 3.14Å
186	S	32.2	Very low	36.7	Very low	63 Å²	63	72.4 Å²	72.4	44%	0.441	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.4	164.2	-166.8	0	0	0	0	107.9
187	S	38.1	Very low	36.2	Very low	148 Å²	148	69.9 Å²	69.9	100%	1.035	36%	0.355	S	S	*	.			trans	-87.4	0	174.1	-63.8	0	0	0	0	112.5	Y168	Y168-S187 PolarHBondContact O-N 3.15Å

Retrieved 187 of 187 residues in 195.1 ms (Link to these results)

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