A0A087X613_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A087X613, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 108 aa.

						>A0A087X613_POEFO|A0A087X613
MGVEVETISPGDGRTFPKKGQTCVVHYIGMLQNGKKFDSSRDRNKPFKFKIGRMEVIKGWEEGVAQMSLGQRAKLTCTPDMAYGATGHPGVIPPNATLIFDVELLKLE
					

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	60.3	Low	90.5	Very high	177 Å²	177	78.7 Å²	78.7	87%	0.872	46%	0.456	S	S	*	.				0	156.1	0	-70.7	160.6	-162.1	0	0	106.2	T78 D80	M1-T78 HydrophobicContact CB-CG2 3.92Å; M1-D80 PolarHBondContact N-OD2 3.25Å
2	G	80.6	Confident	90.8	Very high	41 Å²	41	77.3 Å²	77.3	42%	0.423	45%	0.446	S	S	.	.			trans	-101.2	-178.6	-171.6	0	0	0	0	0	112.9
3	V	91.6	Very high	90.9	Very high	16 Å²	16	75.2 Å²	75.2	10%	0.097	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.3	159.6	59.3	0	0	0	0	109.2	V5 E62 L75	V3-V5 HydrophobicContact CG1-CG2 4.45Å; V3-V5 HydrophobicContact CG2-CG2 4.42Å; V3-E62 HydrophobicContact CG1-CB 3.71Å; V3-L75 HydrophobicContact CG2-CB 4.09Å; V3-L75 HydrophobicContact CG2-CD2 4.44Å
4	E	94.6	Very high	91.1	Very high	134 Å²	134	85.4 Å²	85.4	63%	0.626	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	128	169.3	-60.5	178	168.5	0	0	109	L75 T76	E4-L75 CarbonylContact O-C 3.58Å; E4-L75 WeakPolarHBondContact O-CA 3.21Å; E4-T76 PolarHBondContact N-O 2.82Å; E4-T76 PolarHBondContact O-N 3.4Å
5	V	95.3	Very high	91.3	Very high	41 Å²	41	83.9 Å²	83.9	25%	0.248	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.7	179.8	-173.1	0	0	0	0	109	V3 Q66 A73 L75	V3-V5 HydrophobicContact CG1-CG2 4.45Å; V3-V5 HydrophobicContact CG2-CG2 4.42Å; V5-Q66 HydrophobicContact CG2-CB 4.46Å; V5-A73 HydrophobicContact CG1-CB 3.98Å; V5-L75 HydrophobicContact CB-CD2 4.07Å; V5-L75 HydrophobicContact CG1-CD2 3.75Å; V5-L75 HydrophobicContact CG2-CD2 3.72Å
6	E	95.8	Very high	91.5	Very high	110 Å²	110	84.1 Å²	84.1	51%	0.514	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.7	176.9	-178.7	-176	-176.2	0	0	109.1	I8 A73 K74	E6-I8 PolarHBondContact O-N 3.36Å; E6-A73 CarbonylContact O-C 3.44Å; E6-A73 WeakPolarHBondContact O-CA 3.2Å; E6-A73 WeakPolarHBondContact O-CB 3.48Å; E6-K74 HydrophobicContact CB-CB 4.26Å; E6-K74 PolarHBondContact N-O 2.86Å; E6-K74 PolarHBondContact O-N 3.46Å; E6-K74 IonicContact OE2-NZ 2.66Å; E6-K74 PolarHBondContact OE2-NZ 3.21Å
7	T	95.8	Very high	91.7	Very high	77 Å²	77	79.9 Å²	79.9	47%	0.472	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.7	-178.3	-61.9	0	0	0	0	110.4	Q71	T7-Q71 HydrophobicContact CG2-CG 4.22Å; T7-Q71 PolarHBondContact OG1-NE2 2.84Å
8	I	96	Very high	91.9	Very high	79 Å²	79	83.9 Å²	83.9	41%	0.405	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-44.6	174.1	-61.4	168.3	0	0	0	109.8	E6 R72 K74	E6-I8 PolarHBondContact O-N 3.36Å; I8-R72 WeakPolarHBondContact CA-O 3.24Å; I8-R72 HydrophobicContact CB-CG 4.29Å; I8-R72 WeakPolarHBondContact CB-O 3.19Å; I8-R72 HydrophobicContact CD1-CG 4.27Å; I8-R72 PolarHBondContact N-O 3.35Å; I8-K74 HydrophobicContact CD1-CB 3.99Å; I8-K74 HydrophobicContact CG1-CB 4.26Å
9	S	95.8	Very high	91.9	Very high	53 Å²	53	89.7 Å²	89.7	37%	0.371	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.7	177.2	-55.5	0	0	0	0	109.1	Q71 R72	S9-Q71 WeakPolarHBondContact O-CG 3.35Å; S9-R72 PolarHBondContact N-O 2.77Å; S9-R72 PolarHBondContact O-N 2.64Å
10	P	95.4	Very high	91.9	Very high	113 Å²	113	87.6 Å²	87.6	73%	0.734	48%	0.476	S	S	*	.			trans	-66	143.8	-177.6	28.6	-34.4	0	0	0	110.8
11	G	94.7	Very high	92	Very high	25 Å²	25	86.1 Å²	86.1	26%	0.258	47%	0.466	S	S	.	.			trans	-91.4	-152.6	168.4	0	0	0	0	0	111.6	G13 S68 L69	G11-G13 VanDerWaalsContact C-N 3.26Å; G11-G13 PolarHBondContact O-N 2.88Å; G11-S68 WeakPolarHBondContact CA-OG 3.36Å; G11-L69 CarbonylContact C-O 3.56Å; G11-L69 WeakPolarHBondContact CA-O 3.03Å
12	D	93.5	Very high	93.6	Very high	62 Å²	62	79.1 Å²	79.1	33%	0.332	43%	0.433	S	S	.	.			trans	-74.1	-13.6	179.4	76.6	0.8	0	0	0	114.4	R14 T15 S68 L69	D12-R14 WeakPolarHBondContact O-CG 2.99Å; D12-R14 PolarHBondContact O-N 2.89Å; D12-R14 VanDerWaalsContact O-N 3.1Å; D12-R14 PolarHBondContact OD1-N 3.3Å; D12-T15 PolarHBondContact OD1-N 2.71Å; D12-T15 WeakPolarHBondContact OD2-CB 3.44Å; D12-T15 PolarHBondContact OD2-N 2.8Å; D12-T15 PolarHBondContact OD2-OG1 2.96Å; D12-S68 WeakPolarHBondContact OD1-CB 3.44Å; D12-L69 PolarHBondContact N-O 2.78Å
13	G	92.6	Very high	94.4	Very high	49 Å²	49	77.1 Å²	77.1	51%	0.505	41%	0.413	S	S	.	.	S	Bend	trans	61.4	13.3	-179.2	0	0	0	0	0	115	G11 S68	G11-G13 VanDerWaalsContact C-N 3.26Å; G11-G13 PolarHBondContact O-N 2.88Å; G13-S68 PolarHBondContact N-OG 3.39Å
14	R	93.3	Very high	94.6	Very high	219 Å²	219	76.9 Å²	76.9	83%	0.826	41%	0.411	S	S	*	.	S	Bend	trans	-131.7	-39.3	-172.5	-67.3	176.1	-175.4	-174.6	1.8	112.3	D12 F16	D12-R14 WeakPolarHBondContact O-CG 2.99Å; D12-R14 PolarHBondContact O-N 2.89Å; D12-R14 VanDerWaalsContact O-N 3.1Å; D12-R14 PolarHBondContact OD1-N 3.3Å; R14-F16 WeakPolarHBondContact O-CD2 3.41Å
15	T	94.4	Very high	94.7	Very high	62 Å²	62	70.5 Å²	70.5	38%	0.38	38%	0.381	S	S	.	.			trans	-101.5	100.4	-174.9	-46.1	0	0	0	0	109.5	D12 S68 L69 L107	D12-T15 PolarHBondContact OD1-N 2.71Å; D12-T15 WeakPolarHBondContact OD2-CB 3.44Å; D12-T15 PolarHBondContact OD2-N 2.8Å; D12-T15 PolarHBondContact OD2-OG1 2.96Å; T15-S68 CarbonylContact O-C 3.51Å; T15-S68 WeakPolarHBondContact O-CA 3.26Å; T15-L69 HydrophobicContact CG2-CB 4.38Å; T15-L69 PolarHBondContact O-N 3.05Å; T15-L107 HydrophobicContact CG2-CD1 3.89Å
16	F	95	Very high	94.8	Very high	88 Å²	88	70 Å²	70	39%	0.386	38%	0.376	S	S	.	.			trans	-103.5	147	177.8	-60.9	-90.5	0	0	0	110.9	R14 M67	R14-F16 WeakPolarHBondContact O-CD2 3.41Å; F16-M67 WeakPolarHBondContact CD1-O 3.42Å
17	P	95.1	Very high	94.8	Very high	13 Å²	13	65.5 Å²	65.5	8%	0.084	36%	0.355	C	S	.	.			trans	-59.5	137.9	175.8	-16.1	23	0	0	0	112.6	I51 V64 M67 L104 L107	P17-I51 HydrophobicContact CB-CD1 3.78Å; P17-I51 HydrophobicContact CB-CG2 4.27Å; P17-I51 HydrophobicContact CG-CD1 4.42Å; P17-V64 HydrophobicContact CG-CG1 4.22Å; P17-V64 WeakPolarHBondContact CG-O 3.34Å; P17-M67 WeakPolarHBondContact CD-O 3.47Å; P17-L104 HydrophobicContact CG-CD2 3.93Å; P17-L107 HydrophobicContact CB-CD2 3.85Å; P17-L107 HydrophobicContact CG-CD1 4.44Å; P17-L107 HydrophobicContact CG-CD2 3.86Å
18	K	93.8	Very high	94.9	Very high	151 Å²	151	63.3 Å²	63.3	66%	0.657	34%	0.339	S	S	*	.			trans	-110.6	148.1	174.9	-58.5	-179.8	-178	177.8	0	110.8	G20 Q21 I51	K18-G20 PolarHBondContact O-N 3.27Å; K18-Q21 HydrophobicContact CB-CG 4.18Å; K18-Q21 VanDerWaalsContact O-CB 3.26Å; K18-Q21 WeakPolarHBondContact O-CB 3.43Å; K18-Q21 WeakPolarHBondContact O-CG 3.47Å; K18-Q21 PolarHBondContact O-N 2.96Å; K18-I51 WeakPolarHBondContact O-CG2 3.4Å
19	K	92.2	Very high	94.9	Very high	195 Å²	195	59.5 Å²	59.5	85%	0.848	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	128.4	176.3	-68.4	-175.4	179.7	-178.7	0	111.1
20	G	91.5	Very high	94.8	Very high	46 Å²	46	59.6 Å²	59.6	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-14.7	-178.2	0	0	0	0	0	115.2	K18 I51	K18-G20 PolarHBondContact O-N 3.27Å; G20-I51 PolarHBondContact N-O 3.4Å
21	Q	94	Very high	94.8	Very high	58 Å²	58	54.9 Å²	54.9	27%	0.271	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-74.1	152.6	175.3	-67.1	-170.6	-64.5	0	0	111.9	K18 K50 I51	K18-Q21 HydrophobicContact CB-CG 4.18Å; K18-Q21 VanDerWaalsContact O-CB 3.26Å; K18-Q21 WeakPolarHBondContact O-CB 3.43Å; K18-Q21 WeakPolarHBondContact O-CG 3.47Å; K18-Q21 PolarHBondContact O-N 2.96Å; Q21-K50 WeakPolarHBondContact O-CA 3.49Å; Q21-I51 PolarHBondContact O-N 2.98Å
22	T	95.4	Very high	94.5	Very high	29 Å²	29	60 Å²	60	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.9	175.1	-52.8	0	0	0	0	109.1	K48 F49 E108	T22-K48 HydrophobicContact CG2-CB 4.2Å; T22-F49 CarbonylContact C-O 3.58Å; T22-F49 WeakPolarHBondContact CA-O 3.31Å; T22-E108 PolarHBondContact N-O 3.4Å; T22-E108 PolarHBondContact O-N 2.82Å
23	C	96	Very high	94.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.7	174.3	-61.2	0	0	0	0	109.2	V25 K48 F49 V64 L104 L107	C23-V25 HydrophobicContact CB-CG1 4.38Å; C23-K48 WeakPolarHBondContact O-CA 3.18Å; C23-F49 HydrophobicContact CB-CD1 4.22Å; C23-F49 HydrophobicContact CB-CE1 3.73Å; C23-F49 HydrophobicContact CB-CE2 4.27Å; C23-F49 HydrophobicContact CB-CZ 3.76Å; C23-F49 PolarHBondContact N-O 3.47Å; C23-F49 PolarHBondContact O-N 2.85Å; C23-F49 VanDerWaalsContact O-N 3.13Å; C23-V64 HydrophobicContact CB-CG1 4.5Å; C23-L104 HydrophobicContact CB-CD1 4.28Å; C23-L107 HydrophobicContact CB-CD2 4.36Å
24	V	96.4	Very high	94.1	Very high	10 Å²	10	63 Å²	63	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.8	173.1	-171.4	0	0	0	0	107.8	P46 F47 K48 L105 K106 E108	V24-P46 HydrophobicContact CG1-CB 3.6Å; V24-P46 HydrophobicContact CG1-CG 4.44Å; V24-F47 WeakPolarHBondContact CA-O 3.44Å; V24-K48 HydrophobicContact CB-CG 4.47Å; V24-K48 HydrophobicContact CG1-CG 4.16Å; V24-K48 HydrophobicContact CG2-CD 4.12Å; V24-K48 HydrophobicContact CG2-CG 4.03Å; V24-L105 WeakPolarHBondContact O-CB 3.24Å; V24-L105 PolarHBondContact O-N 2.9Å; V24-K106 HydrophobicContact CB-CB 3.96Å; V24-K106 HydrophobicContact CG2-CB 4.11Å; V24-K106 PolarHBondContact N-O 3.13Å; V24-K106 PolarHBondContact O-N 3.37Å; V24-E108 HydrophobicContact CG2-CG 4.21Å
25	V	96.8	Very high	94	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.1	-173.2	-53.9	0	0	0	0	112.3	C23 F47 F49 W60 V102 E103 L104	C23-V25 HydrophobicContact CB-CG1 4.38Å; V25-F47 HydrophobicContact CG2-CB 4.32Å; V25-F47 HydrophobicContact CG2-CD1 4.31Å; V25-F47 PolarHBondContact N-O 3.3Å; V25-F47 PolarHBondContact O-N 2.95Å; V25-F49 HydrophobicContact CG1-CE1 4.1Å; V25-F49 HydrophobicContact CG2-CE1 4.03Å; V25-W60 HydrophobicContact CG2-CH2 3.79Å; V25-W60 HydrophobicContact CG2-CZ3 3.57Å; V25-V102 HydrophobicContact CB-CG1 4.07Å; V25-V102 HydrophobicContact CG1-CG1 4.24Å; V25-V102 HydrophobicContact CG2-CG1 4.42Å; V25-E103 CarbonylContact C-O 3.54Å; V25-E103 WeakPolarHBondContact CA-O 3.47Å; V25-E103 WeakPolarHBondContact CB-O 3.36Å; V25-L104 HydrophobicContact CG1-CD1 3.75Å
26	H	97.4	Very high	94	Very high	31 Å²	31	61.1 Å²	61.1	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.3	154.7	-91.8	-49.2	0	0	0	109.6	S40 R41 V102 E103 L105	H26-S40 WeakPolarHBondContact CA-OG 3.32Å; H26-S40 PolarHBondContact ND1-OG 2.6Å; H26-R41 HydrophobicContact CB-CG 4.08Å; H26-V102 CarbonylContact O-C 3.45Å; H26-V102 WeakPolarHBondContact O-CA 3.2Å; H26-E103 HydrophobicContact CB-CB 4.4Å; H26-E103 PolarHBondContact N-O 3.06Å; H26-E103 PolarHBondContact O-N 2.98Å; H26-L105 HydrophobicContact CB-CD1 4.26Å; H26-L105 VanDerWaalsContact CD2-CD1 3.44Å; H26-L105 WeakPolarHBondContact CD2-CD1 3.14Å
27	Y	96.5	Very high	93.9	Very high	16 Å²	16	59 Å²	59	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	157.9	175	74.8	-81.8	0	0	0	113.8	D38 S40 R43 F47 W60 F100 D101	Y27-D38 HydrophobicContact CE2-CB 4.24Å; Y27-D38 WeakPolarHBondContact CE2-OD2 3.36Å; Y27-D38 PolarHBondContact OH-OD2 3.44Å; Y27-S40 PolarHBondContact N-OG 2.99Å; Y27-S40 PolarHBondContact O-N 2.88Å; Y27-S40 PolarHBondContact O-OG 3.45Å; Y27-R43 PolarHBondContact OH-NH2 2.88Å; Y27-R43 VanDerWaalsContact OH-NH2 3.14Å; Y27-F47 HydrophobicContact CD1-CB 4.06Å; Y27-F47 HydrophobicContact CE1-CB 3.64Å; Y27-F47 HydrophobicContact CE1-CD1 4.3Å; Y27-F47 AromaticContact CE1-CG 3.93Å; Y27-F47 HydrophobicContact CE1-CG 3.93Å; Y27-W60 AromaticContact CD1-CH2 3.45Å; Y27-W60 HydrophobicContact CD1-CH2 3.45Å; Y27-W60 VanDerWaalsContact CD1-CH2 3.45Å; Y27-W60 HydrophobicContact CD1-CZ2 4.07Å; Y27-W60 HydrophobicContact CD1-CZ3 4.48Å; Y27-W60 HydrophobicContact CD2-CH2 4.1Å; Y27-W60 AromaticContact CD2-CZ2 3.86Å; Y27-W60 HydrophobicContact CD2-CZ2 3.86Å; Y27-W60 HydrophobicContact CE1-CH2 4.04Å; Y27-W60 AromaticContact CG-CH2 3.45Å; Y27-W60 HydrophobicContact CG-CH2 3.45Å; Y27-W60 VanDerWaalsContact CG-CH2 3.45Å; Y27-W60 AromaticContact CG-CZ2 3.6Å; Y27-W60 HydrophobicContact CG-CZ2 3.6Å; Y27-F100 HydrophobicContact CD2-CD1 4.25Å; Y27-D101 CarbonylContact C-O 3.58Å; Y27-D101 WeakPolarHBondContact CA-O 3.03Å
28	I	96.5	Very high	93.8	Very high	30 Å²	30	60.5 Å²	60.5	15%	0.154	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.7	163.6	-54.8	172.4	0	0	0	107.7	M30 K36 R41 F100 D101	I28-M30 HydrophobicContact CB-CE 4.4Å; I28-M30 HydrophobicContact CG2-CE 3.93Å; I28-M30 HydrophobicContact CG2-CG 4.13Å; I28-M30 HydrophobicContact CG2-SD 4.39Å; I28-K36 HydrophobicContact CG2-CD 3.68Å; I28-K36 HydrophobicContact CG2-CG 3.92Å; I28-R41 HydrophobicContact CG1-CG 4.46Å; I28-F100 CarbonylContact O-C 3.44Å; I28-F100 VanDerWaalsContact O-CA 3.31Å; I28-F100 WeakPolarHBondContact O-CA 3.47Å; I28-D101 HydrophobicContact CB-CB 4.39Å; I28-D101 PolarHBondContact N-O 2.85Å; I28-D101 PolarHBondContact O-N 3.42Å
29	G	95.8	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.9	175.1	0	0	0	0	0	111.7	K36 F37 D38	G29-K36 WeakPolarHBondContact O-CA 3.46Å; G29-F37 WeakPolarHBondContact O-CD1 3.41Å; G29-F37 PolarHBondContact O-N 3.14Å; G29-D38 PolarHBondContact N-O 2.81Å; G29-D38 PolarHBondContact O-N 3.35Å
30	M	95.5	Very high	93.9	Very high	54 Å²	54	44.2 Å²	44.2	27%	0.266	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.7	-179.5	-68.7	175.5	-87.5	0	0	111.1	I28 K35 K36 F37 I99	I28-M30 HydrophobicContact CB-CE 4.4Å; I28-M30 HydrophobicContact CG2-CE 3.93Å; I28-M30 HydrophobicContact CG2-CG 4.13Å; I28-M30 HydrophobicContact CG2-SD 4.39Å; M30-K35 WeakPolarHBondContact CA-O 3.34Å; M30-K36 HydrophobicContact CG-CB 4.13Å; M30-K36 HydrophobicContact CG-CG 4.49Å; M30-F37 VanDerWaalsContact N-CE1 3.31Å; M30-I99 PolarHBondContact N-O 3.2Å; M30-I99 PolarHBondContact O-N 2.89Å
31	L	93.8	Very high	94	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	161.5	167.1	-63	178.9	0	0	0	109.9	N33 G34 K35 F37 I92 P93 A96 L98	L31-N33 VanDerWaalsContact CB-OD1 3.25Å; L31-N33 WeakPolarHBondContact CB-OD1 3.06Å; L31-N33 PolarHBondContact O-N 3.03Å; L31-G34 PolarHBondContact O-N 3.29Å; L31-K35 HydrophobicContact CD1-CB 4.41Å; L31-K35 PolarHBondContact N-O 2.86Å; L31-F37 HydrophobicContact CD2-CD1 4.09Å; L31-F37 HydrophobicContact CD2-CE1 4.43Å; L31-F37 HydrophobicContact CG-CD1 4.1Å; L31-I92 HydrophobicContact CD2-CG2 4.46Å; L31-P93 HydrophobicContact CD1-CG 4.43Å; L31-A96 HydrophobicContact CD2-CB 4.28Å; L31-L98 HydrophobicContact CD2-CD2 3.56Å
32	Q	89.8	Confident	93.8	Very high	133 Å²	133	47 Å²	47	62%	0.621	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-25.5	175.9	-98.5	-178.5	-42.7	0	0	114.5	G34 T97 I99	Q32-G34 PolarHBondContact O-N 2.86Å; Q32-T97 VanDerWaalsContact CD-CB 3.42Å; Q32-T97 HydrophobicContact CG-CG2 4.08Å; Q32-T97 VanDerWaalsContact OE1-CB 3.31Å; Q32-T97 PolarHBondContact OE1-OG1 2.9Å; Q32-I99 HydrophobicContact CG-CD1 4.28Å
33	N	88.1	Confident	93.7	Very high	122 Å²	122	51.9 Å²	51.9	65%	0.652	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	7.1	175.3	67.1	5	0	0	0	113.8	L31 K35	L31-N33 VanDerWaalsContact CB-OD1 3.25Å; L31-N33 WeakPolarHBondContact CB-OD1 3.06Å; L31-N33 PolarHBondContact O-N 3.03Å; N33-K35 VanDerWaalsContact C-N 3.28Å; N33-K35 PolarHBondContact O-N 2.84Å; N33-K35 WeakPolarHBondContact OD1-CB 3.47Å; N33-K35 PolarHBondContact OD1-N 3.39Å
34	G	88.8	Confident	93.5	Very high	51 Å²	51	59 Å²	59	53%	0.526	29%	0.292	S	S	.	.	S	Bend	trans	81.4	-2.9	-178.5	0	0	0	0	0	114.7	L31 Q32 K36	L31-G34 PolarHBondContact O-N 3.29Å; Q32-G34 PolarHBondContact O-N 2.86Å; G34-K36 PolarHBondContact O-N 2.51Å
35	K	92.4	Very high	93.3	Very high	139 Å²	139	65.9 Å²	65.9	60%	0.604	32%	0.321	S	S	*	.			trans	-70.9	115.1	177.9	-173.5	-179.2	178	-175.7	0	110.1	M30 L31 N33 F37	M30-K35 WeakPolarHBondContact CA-O 3.34Å; L31-K35 HydrophobicContact CD1-CB 4.41Å; L31-K35 PolarHBondContact N-O 2.86Å; N33-K35 VanDerWaalsContact C-N 3.28Å; N33-K35 PolarHBondContact O-N 2.84Å; N33-K35 WeakPolarHBondContact OD1-CB 3.47Å; N33-K35 PolarHBondContact OD1-N 3.39Å; K35-F37 PolarHBondContact O-N 2.9Å
36	K	94	Very high	93.3	Very high	102 Å²	102	68.2 Å²	68.2	44%	0.443	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.3	169.3	-174.5	174.5	64.1	173.4	0	110.1	I28 G29 M30 G34 D42	I28-K36 HydrophobicContact CG2-CD 3.68Å; I28-K36 HydrophobicContact CG2-CG 3.92Å; G29-K36 WeakPolarHBondContact O-CA 3.46Å; M30-K36 HydrophobicContact CG-CB 4.13Å; M30-K36 HydrophobicContact CG-CG 4.49Å; G34-K36 PolarHBondContact O-N 2.51Å; K36-D42 WeakPolarHBondContact CE-OD2 3.41Å; K36-D42 IonicContact NZ-OD1 3.35Å; K36-D42 PolarHBondContact NZ-OD1 2.98Å; K36-D42 IonicContact NZ-OD2 3.35Å; K36-D42 PolarHBondContact NZ-OD2 3.37Å
37	F	92.5	Very high	93.2	Very high	43 Å²	43	70.4 Å²	70.4	19%	0.189	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-25.5	176.9	65.5	-98.9	0	0	0	112.5	G29 M30 L31 K35 V91 I92 L98 F100	G29-F37 WeakPolarHBondContact O-CD1 3.41Å; G29-F37 PolarHBondContact O-N 3.14Å; M30-F37 VanDerWaalsContact N-CE1 3.31Å; L31-F37 HydrophobicContact CD2-CD1 4.09Å; L31-F37 HydrophobicContact CD2-CE1 4.43Å; L31-F37 HydrophobicContact CG-CD1 4.1Å; K35-F37 PolarHBondContact O-N 2.9Å; F37-V91 HydrophobicContact CB-CG1 3.77Å; F37-V91 HydrophobicContact CD2-CG1 4.09Å; F37-V91 HydrophobicContact CG-CG1 4.28Å; F37-I92 HydrophobicContact CD2-CD1 4.29Å; F37-I92 HydrophobicContact CD2-CG1 4.35Å; F37-I92 HydrophobicContact CE2-CD1 4.02Å; F37-I92 HydrophobicContact CZ-CD1 4.31Å; F37-L98 HydrophobicContact CE1-CD2 3.91Å; F37-L98 HydrophobicContact CZ-CD1 4.13Å; F37-L98 HydrophobicContact CZ-CD2 4.32Å; F37-F100 HydrophobicContact CE2-CE1 4.22Å; F37-F100 AromaticContact CZ-CE1 3.62Å; F37-F100 HydrophobicContact CZ-CE1 3.62Å; F37-F100 AromaticContact CZ-CZ 3.79Å; F37-F100 HydrophobicContact CZ-CZ 3.79Å
38	D	92.2	Very high	93.1	Very high	46 Å²	46	74.9 Å²	74.9	25%	0.246	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	150.5	178.8	-168.4	15.4	0	0	0	111.5	Y27 G29 R43	Y27-D38 HydrophobicContact CE2-CB 4.24Å; Y27-D38 WeakPolarHBondContact CE2-OD2 3.36Å; Y27-D38 PolarHBondContact OH-OD2 3.44Å; G29-D38 PolarHBondContact N-O 2.81Å; G29-D38 PolarHBondContact O-N 3.35Å; D38-R43 IonicContact OD1-CZ 2.88Å; D38-R43 VanDerWaalsContact OD1-CZ 3.28Å; D38-R43 IonicContact OD1-NH1 3.28Å; D38-R43 PolarHBondContact OD1-NH1 3.27Å; D38-R43 IonicContact OD1-NH2 3.6Å; D38-R43 PolarHBondContact OD1-NH2 3.27Å; D38-R43 IonicContact OD2-NH2 3.19Å
39	S	94.4	Very high	93.1	Very high	3 Å²	3	73.6 Å²	73.6	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	121.5	177.1	171.8	0	0	0	0	110.9	R41 D42 R43	S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact OG-N 2.66Å; S39-D42 WeakPolarHBondContact CB-OD1 3.18Å; S39-D42 WeakPolarHBondContact CB-OD2 3.49Å; S39-D42 PolarHBondContact OG-N 3.07Å; S39-D42 VanDerWaalsContact OG-N 3.08Å; S39-D42 PolarHBondContact OG-OD1 2.92Å; S39-R43 PolarHBondContact O-NH1 3.08Å
40	S	94.9	Very high	93	Very high	0 Å²	0	77 Å²	77	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.5	169.8	63	0	0	0	0	112.6	H26 Y27 R43 N44 K45	H26-S40 WeakPolarHBondContact CA-OG 3.32Å; H26-S40 PolarHBondContact ND1-OG 2.6Å; Y27-S40 PolarHBondContact N-OG 2.99Å; Y27-S40 PolarHBondContact O-N 2.88Å; Y27-S40 PolarHBondContact O-OG 3.45Å; S40-R43 PolarHBondContact O-N 3.24Å; S40-N44 PolarHBondContact O-N 3.26Å; S40-K45 WeakPolarHBondContact CB-O 3.43Å; S40-K45 PolarHBondContact O-N 3.37Å
41	R	92.1	Very high	93	Very high	66 Å²	66	74.7 Å²	74.7	25%	0.249	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-39.3	179.1	-61.9	-172.5	-170.9	-94.1	1.3	110.8	H26 I28 S39 R43 N44 E103	H26-R41 HydrophobicContact CB-CG 4.08Å; I28-R41 HydrophobicContact CG1-CG 4.46Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact OG-N 2.66Å; R41-R43 PolarHBondContact O-N 3.33Å; R41-N44 PolarHBondContact O-N 2.84Å; R41-N44 PolarHBondContact O-OD1 3Å; R41-E103 IonicContact CZ-OE2 2.84Å; R41-E103 IonicContact NH1-OE2 2.64Å; R41-E103 PolarHBondContact NH1-OE2 2.88Å; R41-E103 IonicContact NH2-OE2 2.99Å; R41-E103 PolarHBondContact NH2-OE2 2.79Å
42	D	91.4	Very high	92.8	Very high	97 Å²	97	76.1 Å²	76.1	52%	0.519	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.4	176.5	-62.3	11.6	0	0	0	111.4	K36 S39	K36-D42 WeakPolarHBondContact CE-OD2 3.41Å; K36-D42 IonicContact NZ-OD1 3.35Å; K36-D42 PolarHBondContact NZ-OD1 2.98Å; K36-D42 IonicContact NZ-OD2 3.35Å; K36-D42 PolarHBondContact NZ-OD2 3.37Å; S39-D42 WeakPolarHBondContact CB-OD1 3.18Å; S39-D42 WeakPolarHBondContact CB-OD2 3.49Å; S39-D42 PolarHBondContact OG-N 3.07Å; S39-D42 VanDerWaalsContact OG-N 3.08Å; S39-D42 PolarHBondContact OG-OD1 2.92Å
43	R	92.9	Very high	92.9	Very high	132 Å²	132	76.5 Å²	76.5	50%	0.498	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.3	175.9	-67.1	-170.4	-73	-90.2	3.4	113.9	Y27 D38 S39 S40 R41 K45	Y27-R43 PolarHBondContact OH-NH2 2.88Å; Y27-R43 VanDerWaalsContact OH-NH2 3.14Å; D38-R43 IonicContact OD1-CZ 2.88Å; D38-R43 VanDerWaalsContact OD1-CZ 3.28Å; D38-R43 IonicContact OD1-NH1 3.28Å; D38-R43 PolarHBondContact OD1-NH1 3.27Å; D38-R43 IonicContact OD1-NH2 3.6Å; D38-R43 PolarHBondContact OD1-NH2 3.27Å; D38-R43 IonicContact OD2-NH2 3.19Å; S39-R43 PolarHBondContact O-NH1 3.08Å; S40-R43 PolarHBondContact O-N 3.24Å; R41-R43 PolarHBondContact O-N 3.33Å; R43-K45 PolarHBondContact O-N 2.96Å
44	N	90.6	Very high	93	Very high	150 Å²	150	78.1 Å²	78.1	80%	0.802	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	29.3	-172.1	-68	-44	0	0	0	113.8	S40 R41	S40-N44 PolarHBondContact O-N 3.26Å; R41-N44 PolarHBondContact O-N 2.84Å; R41-N44 PolarHBondContact O-OD1 3Å
45	K	94	Very high	93	Very high	153 Å²	153	80.7 Å²	80.7	67%	0.665	38%	0.381	S	S	*	.			trans	-134.9	115.9	-176.7	-173.1	176.9	178.8	-179.6	0	109.7	S40 R43	S40-K45 WeakPolarHBondContact CB-O 3.43Å; S40-K45 PolarHBondContact O-N 3.37Å; R43-K45 PolarHBondContact O-N 2.96Å
46	P	95.3	Very high	93	Very high	50 Å²	50	75.3 Å²	75.3	33%	0.325	36%	0.359	S	S	.	.			trans	-57.4	146.2	174.2	-24.3	33.2	0	0	0	111.6	V24 L105	V24-P46 HydrophobicContact CG1-CB 3.6Å; V24-P46 HydrophobicContact CG1-CG 4.44Å; P46-L105 HydrophobicContact CB-CD1 3.99Å; P46-L105 HydrophobicContact CG-CD1 3.98Å
47	F	96.1	Very high	93	Very high	76 Å²	76	71.6 Å²	71.6	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.4	173.4	-177.9	-106.9	0	0	0	109.8	V24 V25 Y27 F49 V56 W60	V24-F47 WeakPolarHBondContact CA-O 3.44Å; V25-F47 HydrophobicContact CG2-CB 4.32Å; V25-F47 HydrophobicContact CG2-CD1 4.31Å; V25-F47 PolarHBondContact N-O 3.3Å; V25-F47 PolarHBondContact O-N 2.95Å; Y27-F47 HydrophobicContact CD1-CB 4.06Å; Y27-F47 HydrophobicContact CE1-CB 3.64Å; Y27-F47 HydrophobicContact CE1-CD1 4.3Å; Y27-F47 AromaticContact CE1-CG 3.93Å; Y27-F47 HydrophobicContact CE1-CG 3.93Å; F47-F49 HydrophobicContact CD1-CB 4.5Å; F47-F49 AromaticContact CD1-CD1 3.79Å; F47-F49 HydrophobicContact CD1-CD1 3.79Å; F47-F49 HydrophobicContact CE1-CB 3.76Å; F47-F49 AromaticContact CE1-CD1 3.69Å; F47-F49 HydrophobicContact CE1-CD1 3.69Å; F47-F49 HydrophobicContact CE1-CG 4.03Å; F47-F49 HydrophobicContact CZ-CB 4.26Å; F47-V56 HydrophobicContact CE1-CG1 3.77Å; F47-V56 HydrophobicContact CZ-CG1 4.14Å; F47-W60 HydrophobicContact CD1-CH2 4.45Å; F47-W60 AromaticContact CD1-CZ3 3.92Å; F47-W60 HydrophobicContact CD1-CZ3 3.92Å; F47-W60 HydrophobicContact CE1-CZ3 4.21Å
48	K	95.1	Very high	93.1	Very high	110 Å²	110	75.6 Å²	75.6	48%	0.478	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.7	179.8	-61.5	-164.7	172.2	-160.7	0	109	T22 C23 V24 E108	T22-K48 HydrophobicContact CG2-CB 4.2Å; C23-K48 WeakPolarHBondContact O-CA 3.18Å; V24-K48 HydrophobicContact CB-CG 4.47Å; V24-K48 HydrophobicContact CG1-CG 4.16Å; V24-K48 HydrophobicContact CG2-CD 4.12Å; V24-K48 HydrophobicContact CG2-CG 4.03Å; K48-E108 IonicContact NZ-OE1 3.36Å; K48-E108 PolarHBondContact NZ-OE1 3.18Å; K48-E108 IonicContact NZ-OE2 2.86Å; K48-E108 PolarHBondContact NZ-OE2 3.21Å
49	F	95	Very high	93.1	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.1	174	68.9	-81.4	0	0	0	110.2	T22 C23 V25 F47 I51 V56 W60 V64	T22-F49 CarbonylContact C-O 3.58Å; T22-F49 WeakPolarHBondContact CA-O 3.31Å; C23-F49 HydrophobicContact CB-CD1 4.22Å; C23-F49 HydrophobicContact CB-CE1 3.73Å; C23-F49 HydrophobicContact CB-CE2 4.27Å; C23-F49 HydrophobicContact CB-CZ 3.76Å; C23-F49 PolarHBondContact N-O 3.47Å; C23-F49 PolarHBondContact O-N 2.85Å; C23-F49 VanDerWaalsContact O-N 3.13Å; V25-F49 HydrophobicContact CG1-CE1 4.1Å; V25-F49 HydrophobicContact CG2-CE1 4.03Å; F47-F49 HydrophobicContact CD1-CB 4.5Å; F47-F49 AromaticContact CD1-CD1 3.79Å; F47-F49 HydrophobicContact CD1-CD1 3.79Å; F47-F49 HydrophobicContact CE1-CB 3.76Å; F47-F49 AromaticContact CE1-CD1 3.69Å; F47-F49 HydrophobicContact CE1-CD1 3.69Å; F47-F49 HydrophobicContact CE1-CG 4.03Å; F47-F49 HydrophobicContact CZ-CB 4.26Å; F49-I51 HydrophobicContact CE2-CB 4.44Å; F49-V56 HydrophobicContact CB-CG1 3.78Å; F49-V56 HydrophobicContact CD1-CG1 4.33Å; F49-V56 HydrophobicContact CD2-CB 4.47Å; F49-V56 HydrophobicContact CD2-CG1 3.86Å; F49-V56 HydrophobicContact CD2-CG2 3.7Å; F49-V56 HydrophobicContact CE2-CG2 3.79Å; F49-V56 HydrophobicContact CG-CG1 3.73Å; F49-V56 HydrophobicContact CG-CG2 4.41Å; F49-W60 HydrophobicContact CD1-CE3 4.28Å; F49-W60 HydrophobicContact CD1-CZ3 4.15Å; F49-W60 AromaticContact CE1-CE3 3.68Å; F49-W60 HydrophobicContact CE1-CE3 3.68Å; F49-W60 AromaticContact CE1-CZ3 3.69Å; F49-W60 HydrophobicContact CE1-CZ3 3.69Å; F49-W60 AromaticContact CZ-CE3 3.91Å; F49-W60 HydrophobicContact CZ-CE3 3.91Å; F49-W60 HydrophobicContact CZ-CZ3 4.36Å; F49-V64 HydrophobicContact CZ-CB 4.13Å; F49-V64 HydrophobicContact CZ-CG1 4.01Å; F49-V64 HydrophobicContact CZ-CG2 4.05Å
50	K	95.2	Very high	93.2	Very high	70 Å²	70	73.8 Å²	73.8	30%	0.304	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.4	174.8	-72.6	179.3	-178.7	178.9	0	111	Q21 R53 E55	Q21-K50 WeakPolarHBondContact O-CA 3.49Å; K50-R53 HydrophobicContact CB-CB 4.41Å; K50-R53 HydrophobicContact CB-CG 4.14Å; K50-E55 PolarHBondContact N-OE2 3.47Å
51	I	93.8	Very high	93.1	Very high	6 Å²	6	75 Å²	75	3%	0.031	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	141.6	178.2	-156.8	171.7	0	0	0	110.7	P17 K18 G20 Q21 F49 E61 A65	P17-I51 HydrophobicContact CB-CD1 3.78Å; P17-I51 HydrophobicContact CB-CG2 4.27Å; P17-I51 HydrophobicContact CG-CD1 4.42Å; K18-I51 WeakPolarHBondContact O-CG2 3.4Å; G20-I51 PolarHBondContact N-O 3.4Å; Q21-I51 PolarHBondContact O-N 2.98Å; F49-I51 HydrophobicContact CE2-CB 4.44Å; I51-E61 VanDerWaalsContact CG1-OE2 3.24Å; I51-E61 WeakPolarHBondContact CG1-OE2 3.41Å; I51-A65 HydrophobicContact CD1-CB 3.72Å
52	G	91.1	Very high	93.2	Very high	46 Å²	46	76.5 Å²	76.5	47%	0.474	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	11.9	-175.8	0	0	0	0	0	114.6	E61	G52-E61 PolarHBondContact N-OE2 3.18Å
53	R	91.4	Very high	93.3	Very high	141 Å²	141	71.9 Å²	71.9	53%	0.532	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-3.5	175.8	-70.8	-164.5	174.7	-167.2	-7.6	114.3	K50 E55	K50-R53 HydrophobicContact CB-CB 4.41Å; K50-R53 HydrophobicContact CB-CG 4.14Å; R53-E55 HydrophobicContact CB-CG 3.89Å; R53-E55 PolarHBondContact O-N 3.16Å
54	M	89	Confident	93.4	Very high	155 Å²	155	65.6 Å²	65.6	76%	0.764	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	34	-175.3	-56.8	-178.8	-72.2	0	0	111.9	E61	M54-E61 VanDerWaalsContact CA-OE1 3.31Å; M54-E61 WeakPolarHBondContact CA-OE1 3.28Å; M54-E61 PolarHBondContact N-OE1 3.19Å
55	E	89.4	Confident	93.6	Very high	106 Å²	106	60.3 Å²	60.3	50%	0.495	30%	0.295	S	S	.	.	S	Bend	trans	-74.7	-17.8	173.1	-71.4	176.5	-177	0	0	111.4	K50 R53	K50-E55 PolarHBondContact N-OE2 3.47Å; R53-E55 HydrophobicContact CB-CG 3.89Å; R53-E55 PolarHBondContact O-N 3.16Å
56	V	92.9	Very high	93.5	Very high	25 Å²	25	58 Å²	58	15%	0.152	29%	0.286	C	S	.	.	S	Bend	trans	-126.3	171.3	178.4	-62.7	0	0	0	0	110.2	F47 F49 W60 E61	F47-V56 HydrophobicContact CE1-CG1 3.77Å; F47-V56 HydrophobicContact CZ-CG1 4.14Å; F49-V56 HydrophobicContact CB-CG1 3.78Å; F49-V56 HydrophobicContact CD1-CG1 4.33Å; F49-V56 HydrophobicContact CD2-CB 4.47Å; F49-V56 HydrophobicContact CD2-CG1 3.86Å; F49-V56 HydrophobicContact CD2-CG2 3.7Å; F49-V56 HydrophobicContact CE2-CG2 3.79Å; F49-V56 HydrophobicContact CG-CG1 3.73Å; F49-V56 HydrophobicContact CG-CG2 4.41Å; V56-W60 HydrophobicContact CB-CB 4.13Å; V56-W60 HydrophobicContact CG1-CE3 4.44Å; V56-W60 HydrophobicContact CG2-CB 3.63Å; V56-E61 HydrophobicContact CG2-CG 3.96Å
57	I	93.9	Very high	93.5	Very high	24 Å²	24	55.6 Å²	55.6	12%	0.123	27%	0.271	C	S	.	.			trans	-58.9	151	176.3	61.6	171.6	0	0	0	111.7	G59 W60 E61 A82 Y83 F100	I57-G59 PolarHBondContact O-N 3.29Å; I57-W60 HydrophobicContact CG1-CB 4.07Å; I57-W60 HydrophobicContact CG1-CG 4.04Å; I57-W60 WeakPolarHBondContact O-CB 3.34Å; I57-W60 PolarHBondContact O-N 3.25Å; I57-E61 PolarHBondContact O-N 2.95Å; I57-A82 HydrophobicContact CD1-CB 4.07Å; I57-Y83 HydrophobicContact CG2-CD2 4.34Å; I57-Y83 HydrophobicContact CG2-CE1 4.48Å; I57-Y83 HydrophobicContact CG2-CE2 3.9Å; I57-F100 HydrophobicContact CD1-CE2 3.61Å; I57-F100 HydrophobicContact CD1-CZ 3.81Å
58	K	93.3	Very high	93.5	Very high	128 Å²	128	52.2 Å²	52.2	56%	0.557	26%	0.256	S	S	*	.	H	α-helix	trans	-56.5	-37	-176.9	-67	179.4	-178.4	177.3	0	113.2	W60 E61 E62 M81	K58-W60 PolarHBondContact O-N 3.03Å; K58-E61 WeakPolarHBondContact O-CB 3.36Å; K58-E61 PolarHBondContact O-N 2.86Å; K58-E62 PolarHBondContact O-N 2.84Å; K58-M81 HydrophobicContact CB-CE 3.83Å; K58-M81 HydrophobicContact CB-SD 4.1Å; K58-M81 PolarHBondContact N-O 3.3Å
59	G	94.2	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-30.4	177.6	0	0	0	0	0	113.1	I57 G63 M81	I57-G59 PolarHBondContact O-N 3.29Å; G59-G63 WeakPolarHBondContact O-CA 3.42Å; G59-G63 PolarHBondContact O-N 3.1Å; G59-M81 PolarHBondContact N-O 2.94Å
60	W	95.2	Very high	93.6	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.038	27%	0.266	C	S	.	.	H	α-helix	trans	-76.3	-41.5	172.7	-89.1	48.7	0	0	0	112.4	V25 Y27 F47 F49 V56 I57 K58 E62 G63 V64 F100 V102	V25-W60 HydrophobicContact CG2-CH2 3.79Å; V25-W60 HydrophobicContact CG2-CZ3 3.57Å; Y27-W60 AromaticContact CD1-CH2 3.45Å; Y27-W60 HydrophobicContact CD1-CH2 3.45Å; Y27-W60 VanDerWaalsContact CD1-CH2 3.45Å; Y27-W60 HydrophobicContact CD1-CZ2 4.07Å; Y27-W60 HydrophobicContact CD1-CZ3 4.48Å; Y27-W60 HydrophobicContact CD2-CH2 4.1Å; Y27-W60 AromaticContact CD2-CZ2 3.86Å; Y27-W60 HydrophobicContact CD2-CZ2 3.86Å; Y27-W60 HydrophobicContact CE1-CH2 4.04Å; Y27-W60 AromaticContact CG-CH2 3.45Å; Y27-W60 HydrophobicContact CG-CH2 3.45Å; Y27-W60 VanDerWaalsContact CG-CH2 3.45Å; Y27-W60 AromaticContact CG-CZ2 3.6Å; Y27-W60 HydrophobicContact CG-CZ2 3.6Å; F47-W60 HydrophobicContact CD1-CH2 4.45Å; F47-W60 AromaticContact CD1-CZ3 3.92Å; F47-W60 HydrophobicContact CD1-CZ3 3.92Å; F47-W60 HydrophobicContact CE1-CZ3 4.21Å; F49-W60 HydrophobicContact CD1-CE3 4.28Å; F49-W60 HydrophobicContact CD1-CZ3 4.15Å; F49-W60 AromaticContact CE1-CE3 3.68Å; F49-W60 HydrophobicContact CE1-CE3 3.68Å; F49-W60 AromaticContact CE1-CZ3 3.69Å; F49-W60 HydrophobicContact CE1-CZ3 3.69Å; F49-W60 AromaticContact CZ-CE3 3.91Å; F49-W60 HydrophobicContact CZ-CE3 3.91Å; F49-W60 HydrophobicContact CZ-CZ3 4.36Å; V56-W60 HydrophobicContact CB-CB 4.13Å; V56-W60 HydrophobicContact CG1-CE3 4.44Å; V56-W60 HydrophobicContact CG2-CB 3.63Å; I57-W60 HydrophobicContact CG1-CB 4.07Å; I57-W60 HydrophobicContact CG1-CG 4.04Å; I57-W60 WeakPolarHBondContact O-CB 3.34Å; I57-W60 PolarHBondContact O-N 3.25Å; K58-W60 PolarHBondContact O-N 3.03Å; W60-E62 VanDerWaalsContact C-N 3.29Å; W60-E62 PolarHBondContact O-N 2.92Å; W60-G63 PolarHBondContact O-N 2.88Å; W60-V64 HydrophobicContact CE3-CG2 4.35Å; W60-V64 VanDerWaalsContact O-CB 3.25Å; W60-V64 WeakPolarHBondContact O-CB 3.4Å; W60-V64 WeakPolarHBondContact O-CG2 3.39Å; W60-V64 PolarHBondContact O-N 2.8Å; W60-F100 AromaticContact CE2-CD1 3.98Å; W60-F100 AromaticContact CZ2-CD1 3.9Å; W60-F100 HydrophobicContact CZ2-CD1 3.9Å; W60-F100 HydrophobicContact CZ2-CE1 4.37Å; W60-F100 HydrophobicContact CZ2-CG 4.35Å; W60-F100 AromaticContact NE1-CD1 3.45Å; W60-F100 AromaticContact NE1-CD2 3.44Å; W60-F100 AromaticContact NE1-CE1 3.7Å; W60-F100 AromaticContact NE1-CE2 3.68Å; W60-F100 AromaticContact NE1-CG 3.3Å; W60-F100 VanDerWaalsContact NE1-CG 3.3Å; W60-F100 AromaticContact NE1-CZ 3.8Å; W60-V102 HydrophobicContact CH2-CG2 4.36Å; W60-V102 HydrophobicContact CZ2-CG2 3.8Å
61	E	93	Very high	93.7	Very high	25 Å²	25	48.7 Å²	48.7	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-44.2	175.2	-70.8	-73.5	-177.6	0	0	111.5	I51 G52 M54 V56 I57 K58 A65	I51-E61 VanDerWaalsContact CG1-OE2 3.24Å; I51-E61 WeakPolarHBondContact CG1-OE2 3.41Å; G52-E61 PolarHBondContact N-OE2 3.18Å; M54-E61 VanDerWaalsContact CA-OE1 3.31Å; M54-E61 WeakPolarHBondContact CA-OE1 3.28Å; M54-E61 PolarHBondContact N-OE1 3.19Å; V56-E61 HydrophobicContact CG2-CG 3.96Å; I57-E61 PolarHBondContact O-N 2.95Å; K58-E61 WeakPolarHBondContact O-CB 3.36Å; K58-E61 PolarHBondContact O-N 2.86Å; E61-A65 VanDerWaalsContact O-CB 3.28Å; E61-A65 WeakPolarHBondContact O-CB 3.25Å
62	E	93.3	Very high	93.9	Very high	98 Å²	98	52 Å²	52	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-82.1	-38	178.9	-70	-175.9	-166.8	0	0	113.4	V3 K58 W60 Q66 M81	V3-E62 HydrophobicContact CG1-CB 3.71Å; K58-E62 PolarHBondContact O-N 2.84Å; W60-E62 VanDerWaalsContact C-N 3.29Å; W60-E62 PolarHBondContact O-N 2.92Å; E62-Q66 WeakPolarHBondContact O-CG 3.37Å; E62-Q66 PolarHBondContact O-NE2 2.95Å; E62-M81 HydrophobicContact CB-CE 4.45Å; E62-M81 HydrophobicContact CG-CE 4.15Å; E62-M81 WeakPolarHBondContact OE1-CE 3.24Å; E62-M81 WeakPolarHBondContact OE2-CE 3.32Å
63	G	94.3	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74.5	-45.9	-174.6	0	0	0	0	0	112	G59 W60 A65 Q66	G59-G63 WeakPolarHBondContact O-CA 3.42Å; G59-G63 PolarHBondContact O-N 3.1Å; W60-G63 PolarHBondContact O-N 2.88Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 2.82Å; G63-Q66 PolarHBondContact O-N 2.97Å
64	V	94.9	Very high	94.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-33	178.9	-179.2	0	0	0	0	110.9	P17 C23 F49 W60 Q66 M67 L75 V102	P17-V64 HydrophobicContact CG-CG1 4.22Å; P17-V64 WeakPolarHBondContact CG-O 3.34Å; C23-V64 HydrophobicContact CB-CG1 4.5Å; F49-V64 HydrophobicContact CZ-CB 4.13Å; F49-V64 HydrophobicContact CZ-CG1 4.01Å; F49-V64 HydrophobicContact CZ-CG2 4.05Å; W60-V64 HydrophobicContact CE3-CG2 4.35Å; W60-V64 VanDerWaalsContact O-CB 3.25Å; W60-V64 WeakPolarHBondContact O-CB 3.4Å; W60-V64 WeakPolarHBondContact O-CG2 3.39Å; W60-V64 PolarHBondContact O-N 2.8Å; V64-Q66 PolarHBondContact O-N 2.95Å; V64-Q66 VanDerWaalsContact O-N 3.16Å; V64-M67 HydrophobicContact CG2-SD 4.37Å; V64-M67 WeakPolarHBondContact O-CB 3.14Å; V64-M67 PolarHBondContact O-N 3.22Å; V64-L75 HydrophobicContact CG2-CD1 4.09Å; V64-V102 HydrophobicContact CG2-CG1 4.3Å
65	A	94.1	Very high	94.8	Very high	39 Å²	39	39 Å²	39	32%	0.322	20%	0.197	S	C	.	.	H	α-helix	trans	-58.4	-26.6	173.8	0	0	0	0	0	113.5	I51 E61 G63	I51-A65 HydrophobicContact CD1-CB 3.72Å; E61-A65 VanDerWaalsContact O-CB 3.28Å; E61-A65 WeakPolarHBondContact O-CB 3.25Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 2.82Å
66	Q	93.5	Very high	95.1	Very high	105 Å²	105	35.2 Å²	35.2	49%	0.491	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.2	177.3	-65.9	172.2	68.7	0	0	113	V5 E62 G63 V64	V5-Q66 HydrophobicContact CG2-CB 4.46Å; E62-Q66 WeakPolarHBondContact O-CG 3.37Å; E62-Q66 PolarHBondContact O-NE2 2.95Å; G63-Q66 PolarHBondContact O-N 2.97Å; V64-Q66 PolarHBondContact O-N 2.95Å; V64-Q66 VanDerWaalsContact O-N 3.16Å
67	M	95.6	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-85	142.9	178.5	-63.9	175	66	0	0	111	F16 P17 V64 Q71 A73 L75 V102 L104	F16-M67 WeakPolarHBondContact CD1-O 3.42Å; P17-M67 WeakPolarHBondContact CD-O 3.47Å; V64-M67 HydrophobicContact CG2-SD 4.37Å; V64-M67 WeakPolarHBondContact O-CB 3.14Å; V64-M67 PolarHBondContact O-N 3.22Å; M67-Q71 HydrophobicContact CB-CB 4.43Å; M67-Q71 HydrophobicContact CE-CB 4.31Å; M67-Q71 HydrophobicContact CE-CG 4.43Å; M67-Q71 WeakPolarHBondContact CE-O 3.38Å; M67-A73 HydrophobicContact CE-CB 3.84Å; M67-A73 HydrophobicContact CG-CB 4.19Å; M67-A73 HydrophobicContact SD-CB 4.03Å; M67-L75 HydrophobicContact SD-CD2 4.41Å; M67-V102 HydrophobicContact CE-CB 4.3Å; M67-V102 HydrophobicContact CE-CG1 4.19Å; M67-V102 WeakPolarHBondContact CE-O 3.44Å; M67-V102 HydrophobicContact SD-CB 4.25Å; M67-V102 HydrophobicContact SD-CG1 4.13Å; M67-L104 HydrophobicContact CB-CD2 4.41Å; M67-L104 HydrophobicContact CE-CB 4.22Å
68	S	95.9	Very high	95.3	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.028	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-92.2	157.3	171.6	58.2	0	0	0	0	111.3	G11 D12 G13 T15 G70 Q71	G11-S68 WeakPolarHBondContact CA-OG 3.36Å; D12-S68 WeakPolarHBondContact OD1-CB 3.44Å; G13-S68 PolarHBondContact N-OG 3.39Å; T15-S68 CarbonylContact O-C 3.51Å; T15-S68 WeakPolarHBondContact O-CA 3.26Å; S68-G70 PolarHBondContact O-N 2.9Å; S68-Q71 WeakPolarHBondContact O-CB 3.46Å; S68-Q71 PolarHBondContact O-N 2.67Å; S68-Q71 PolarHBondContact OG-OE1 2.93Å
69	L	96.2	Very high	95.2	Very high	54 Å²	54	29.2 Å²	29.2	28%	0.283	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	131.9	179.3	178.8	65	0	0	0	110.8	G11 D12 T15 Q71 L105	G11-L69 CarbonylContact C-O 3.56Å; G11-L69 WeakPolarHBondContact CA-O 3.03Å; D12-L69 PolarHBondContact N-O 2.78Å; T15-L69 HydrophobicContact CG2-CB 4.38Å; T15-L69 PolarHBondContact O-N 3.05Å; L69-Q71 VanDerWaalsContact C-N 3.25Å; L69-Q71 PolarHBondContact O-N 3.39Å; L69-L105 WeakPolarHBondContact CD1-O 3.44Å
70	G	95.8	Very high	95.2	Very high	41 Å²	41	33 Å²	33	42%	0.423	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-5.6	-175.5	0	0	0	0	0	114.5	S68 L104	S68-G70 PolarHBondContact O-N 2.9Å; G70-L104 WeakPolarHBondContact CA-O 3.25Å; G70-L104 PolarHBondContact N-O 2.74Å
71	Q	97.6	Very high	95	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.075	18%	0.179	C	C	.	.			trans	-72.1	139.7	-179.6	-171.2	173.8	-14.6	0	0	111.1	T7 S9 M67 S68 L69 E103 L104	T7-Q71 HydrophobicContact CG2-CG 4.22Å; T7-Q71 PolarHBondContact OG1-NE2 2.84Å; S9-Q71 WeakPolarHBondContact O-CG 3.35Å; M67-Q71 HydrophobicContact CB-CB 4.43Å; M67-Q71 HydrophobicContact CE-CB 4.31Å; M67-Q71 HydrophobicContact CE-CG 4.43Å; M67-Q71 WeakPolarHBondContact CE-O 3.38Å; S68-Q71 WeakPolarHBondContact O-CB 3.46Å; S68-Q71 PolarHBondContact O-N 2.67Å; S68-Q71 PolarHBondContact OG-OE1 2.93Å; L69-Q71 VanDerWaalsContact C-N 3.25Å; L69-Q71 PolarHBondContact O-N 3.39Å; Q71-E103 WeakPolarHBondContact O-CA 3.07Å; Q71-L104 PolarHBondContact O-N 3.32Å
72	R	97.4	Very high	95	Very high	76 Å²	76	33 Å²	33	29%	0.287	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.1	164.7	-171.1	177.4	176.6	-175.9	-2.5	109.4	I8 S9 D101 V102 E103	I8-R72 WeakPolarHBondContact CA-O 3.24Å; I8-R72 HydrophobicContact CB-CG 4.29Å; I8-R72 WeakPolarHBondContact CB-O 3.19Å; I8-R72 HydrophobicContact CD1-CG 4.27Å; I8-R72 PolarHBondContact N-O 3.35Å; S9-R72 PolarHBondContact N-O 2.77Å; S9-R72 PolarHBondContact O-N 2.64Å; R72-D101 WeakPolarHBondContact CG-OD1 3.12Å; R72-D101 IonicContact CZ-OD1 3.59Å; R72-D101 IonicContact CZ-OD2 2.67Å; R72-D101 IonicContact NE-OD1 3.61Å; R72-D101 PolarHBondContact NE-OD1 2.98Å; R72-D101 IonicContact NE-OD2 3.4Å; R72-D101 PolarHBondContact NE-OD2 2.92Å; R72-D101 IonicContact NH2-OD1 3.32Å; R72-D101 IonicContact NH2-OD2 2.79Å; R72-D101 PolarHBondContact NH2-OD2 3.4Å; R72-V102 CarbonylContact C-O 3.49Å; R72-V102 VanDerWaalsContact CA-O 3.24Å; R72-V102 WeakPolarHBondContact CA-O 3.4Å; R72-E103 HydrophobicContact CB-CB 4.32Å; R72-E103 HydrophobicContact CB-CG 4.31Å; R72-E103 HydrophobicContact CG-CB 4.15Å
73	A	97.3	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.8	-177.8	0	0	0	0	0	110.9	V5 E6 M67 V102	V5-A73 HydrophobicContact CG1-CB 3.98Å; E6-A73 CarbonylContact O-C 3.44Å; E6-A73 WeakPolarHBondContact O-CA 3.2Å; E6-A73 WeakPolarHBondContact O-CB 3.48Å; M67-A73 HydrophobicContact CE-CB 3.84Å; M67-A73 HydrophobicContact CG-CB 4.19Å; M67-A73 HydrophobicContact SD-CB 4.03Å; A73-V102 PolarHBondContact N-O 2.86Å; A73-V102 PolarHBondContact O-N 2.9Å; A73-V102 VanDerWaalsContact O-O 3.14Å
74	K	96.8	Very high	94.9	Very high	69 Å²	69	33.6 Å²	33.6	30%	0.3	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.8	169.4	-177.9	178.3	158.4	-148.4	0	108.7	E6 I8 I99 F100	E6-K74 HydrophobicContact CB-CB 4.26Å; E6-K74 PolarHBondContact N-O 2.86Å; E6-K74 PolarHBondContact O-N 3.46Å; E6-K74 IonicContact OE2-NZ 2.66Å; E6-K74 PolarHBondContact OE2-NZ 3.21Å; I8-K74 HydrophobicContact CD1-CB 3.99Å; I8-K74 HydrophobicContact CG1-CB 4.26Å; K74-I99 HydrophobicContact CD-CG2 4.01Å; K74-I99 VanDerWaalsContact CE-CG2 3.42Å; K74-I99 HydrophobicContact CG-CG2 3.76Å; K74-F100 CarbonylContact C-O 3.59Å; K74-F100 WeakPolarHBondContact CA-O 3.47Å
75	L	96.6	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.2	175.6	-51.7	-177.6	0	0	0	109.1	V3 E4 V5 V64 M67 I99 F100 V102	V3-L75 HydrophobicContact CG2-CB 4.09Å; V3-L75 HydrophobicContact CG2-CD2 4.44Å; E4-L75 CarbonylContact O-C 3.58Å; E4-L75 WeakPolarHBondContact O-CA 3.21Å; V5-L75 HydrophobicContact CB-CD2 4.07Å; V5-L75 HydrophobicContact CG1-CD2 3.75Å; V5-L75 HydrophobicContact CG2-CD2 3.72Å; V64-L75 HydrophobicContact CG2-CD1 4.09Å; M67-L75 HydrophobicContact SD-CD2 4.41Å; L75-I99 WeakPolarHBondContact O-CA 3.48Å; L75-F100 HydrophobicContact CB-CB 4.28Å; L75-F100 PolarHBondContact N-O 3.15Å; L75-F100 PolarHBondContact O-N 3.35Å; L75-V102 HydrophobicContact CD1-CB 4.35Å; L75-V102 HydrophobicContact CD1-CG2 3.76Å; L75-V102 HydrophobicContact CG-CG2 4.1Å
76	T	95.9	Very high	94.6	Very high	25 Å²	25	40.7 Å²	40.7	15%	0.153	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.4	169.9	-52.8	0	0	0	0	108	E4 T97	E4-T76 PolarHBondContact N-O 2.82Å; E4-T76 PolarHBondContact O-N 3.4Å; T76-T97 HydrophobicContact CG2-CG2 3.78Å
77	C	95.2	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.1	-178.8	-59.9	0	0	0	0	108.9	A82 T97 L98 F100	C77-A82 HydrophobicContact CB-CB 4.34Å; C77-T97 WeakPolarHBondContact O-CA 3.46Å; C77-T97 WeakPolarHBondContact O-CG2 3.46Å; C77-L98 PolarHBondContact N-O 2.54Å; C77-L98 PolarHBondContact O-N 2.91Å; C77-F100 HydrophobicContact CB-CE2 4.47Å
78	T	94.3	Very high	94.2	Very high	27 Å²	27	40.3 Å²	40.3	17%	0.166	23%	0.233	C	C	.	.			trans	-63.1	161	169.3	52.3	0	0	0	0	110.7	M1 D80 M81 A82	M1-T78 HydrophobicContact CB-CG2 3.92Å; T78-D80 VanDerWaalsContact C-N 3.28Å; T78-D80 WeakPolarHBondContact CB-OD1 3.49Å; T78-D80 PolarHBondContact O-N 2.81Å; T78-D80 PolarHBondContact OG1-OD1 3.06Å; T78-M81 WeakPolarHBondContact O-CA 3.24Å; T78-M81 PolarHBondContact O-N 3.02Å; T78-A82 PolarHBondContact O-N 2.81Å
79	P	93.1	Very high	93.9	Very high	24 Å²	24	45.4 Å²	45.4	16%	0.156	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.8	-35.9	-172.8	-23.8	32.8	0	0	0	114.1	M81 A82 G84 N95	P79-M81 PolarHBondContact O-N 2.89Å; P79-A82 CarbonylContact O-C 3.48Å; P79-A82 PolarHBondContact O-N 2.84Å; P79-G84 WeakPolarHBondContact O-CA 3.35Å; P79-G84 PolarHBondContact O-N 2.86Å; P79-N95 VanDerWaalsContact CG-C 3.44Å; P79-N95 HydrophobicContact CG-CB 4.48Å; P79-N95 WeakPolarHBondContact CG-O 3.19Å
80	D	92.6	Very high	93.3	Very high	81 Å²	81	47.2 Å²	47.2	43%	0.433	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.9	175.2	56.4	-38.4	0	0	0	113.6	M1 T78	M1-D80 PolarHBondContact N-OD2 3.25Å; T78-D80 VanDerWaalsContact C-N 3.28Å; T78-D80 WeakPolarHBondContact CB-OD1 3.49Å; T78-D80 PolarHBondContact O-N 2.81Å; T78-D80 PolarHBondContact OG1-OD1 3.06Å
81	M	92.4	Very high	93	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.069	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-95.9	-1.3	176.2	-62.3	-58	-77.7	0	0	113.1	K58 G59 E62 T78 P79	K58-M81 HydrophobicContact CB-CE 3.83Å; K58-M81 HydrophobicContact CB-SD 4.1Å; K58-M81 PolarHBondContact N-O 3.3Å; G59-M81 PolarHBondContact N-O 2.94Å; E62-M81 HydrophobicContact CB-CE 4.45Å; E62-M81 HydrophobicContact CG-CE 4.15Å; E62-M81 WeakPolarHBondContact OE1-CE 3.24Å; E62-M81 WeakPolarHBondContact OE2-CE 3.32Å; T78-M81 WeakPolarHBondContact O-CA 3.24Å; T78-M81 PolarHBondContact O-N 3.02Å; P79-M81 PolarHBondContact O-N 2.89Å
82	A	92.3	Very high	92.7	Very high	21 Å²	21	48.2 Å²	48.2	17%	0.174	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-116.5	-177.2	0	0	0	0	0	111.3	I57 C77 T78 P79 L98	I57-A82 HydrophobicContact CD1-CB 4.07Å; C77-A82 HydrophobicContact CB-CB 4.34Å; T78-A82 PolarHBondContact O-N 2.81Å; P79-A82 CarbonylContact O-C 3.48Å; P79-A82 PolarHBondContact O-N 2.84Å; A82-L98 HydrophobicContact CB-CD1 3.8Å; A82-L98 HydrophobicContact CB-CG 4.09Å
83	Y	93	Very high	92.5	Very high	87 Å²	87	47.7 Å²	47.7	34%	0.341	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.5	-174.9	-64.3	-94	0	0	0	113.8	I57 G87 H88 I92 L98	I57-Y83 HydrophobicContact CG2-CD2 4.34Å; I57-Y83 HydrophobicContact CG2-CE1 4.48Å; I57-Y83 HydrophobicContact CG2-CE2 3.9Å; Y83-G87 PolarHBondContact O-N 2.74Å; Y83-H88 HydrophobicContact CD1-CB 3.98Å; Y83-H88 HydrophobicContact CE1-CB 4.13Å; Y83-H88 AromaticContact CE1-ND1 3.9Å; Y83-H88 HydrophobicContact CG-CB 4.45Å; Y83-I92 HydrophobicContact CD2-CD1 3.45Å; Y83-I92 VanDerWaalsContact CD2-CD1 3.45Å; Y83-I92 HydrophobicContact CD2-CG2 4.29Å; Y83-I92 HydrophobicContact CE1-CD1 4.41Å; Y83-I92 HydrophobicContact CE2-CD1 3.18Å; Y83-I92 HydrophobicContact CG-CD1 4.17Å; Y83-L98 HydrophobicContact CD2-CD1 3.68Å; Y83-L98 HydrophobicContact CE2-CD1 3.72Å
84	G	91.8	Very high	92.3	Very high	22 Å²	22	51.7 Å²	51.7	23%	0.227	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-152.8	174.8	0	0	0	0	0	114.7	P79 T86 G87 N95	P79-G84 WeakPolarHBondContact O-CA 3.35Å; P79-G84 PolarHBondContact O-N 2.86Å; G84-T86 PolarHBondContact O-N 2.74Å; G84-G87 PolarHBondContact O-N 2.92Å; G84-N95 PolarHBondContact O-N 2.81Å
85	A	92.1	Very high	92.1	Very high	67 Å²	67	53.4 Å²	53.4	55%	0.554	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.4	178.9	0	0	0	0	0	113.4	P94 N95	A85-P94 WeakPolarHBondContact O-CB 3.31Å; A85-N95 VanDerWaalsContact CA-OD1 3.24Å; A85-N95 WeakPolarHBondContact CA-OD1 3.41Å; A85-N95 PolarHBondContact N-OD1 2.91Å
86	T	90.9	Very high	91.9	Very high	121 Å²	121	54.2 Å²	54.2	74%	0.742	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-35.4	178.1	-51.9	0	0	0	0	111.6	G84	G84-T86 PolarHBondContact O-N 2.74Å
87	G	91.5	Very high	91.8	Very high	7 Å²	7	54 Å²	54	7%	0.072	35%	0.347	C	S	.	.			trans	65.3	-159.1	-171.3	0	0	0	0	0	111.9	Y83 G84 I92	Y83-G87 PolarHBondContact O-N 2.74Å; G84-G87 PolarHBondContact O-N 2.92Å; G87-I92 WeakPolarHBondContact CA-O 3.22Å
88	H	90.2	Very high	91.8	Very high	90 Å²	90	54 Å²	54	42%	0.417	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-126.7	110.8	172.5	-164.2	81.3	0	0	0	108.8	Y83 G90 V91 I92	Y83-H88 HydrophobicContact CD1-CB 3.98Å; Y83-H88 HydrophobicContact CE1-CB 4.13Å; Y83-H88 AromaticContact CE1-ND1 3.9Å; Y83-H88 HydrophobicContact CG-CB 4.45Å; H88-G90 PolarHBondContact O-N 2.67Å; H88-V91 PolarHBondContact O-N 2.94Å; H88-I92 CarbonylContact C-O 3.51Å; H88-I92 HydrophobicContact CB-CB 3.8Å; H88-I92 HydrophobicContact CB-CD1 4.07Å; H88-I92 HydrophobicContact CB-CG1 4.09Å; H88-I92 PolarHBondContact N-O 3.5Å; H88-I92 PolarHBondContact O-N 3.19Å; H88-I92 VanDerWaalsContact O-O 3.07Å
89	P	88.1	Confident	91.9	Very high	111 Å²	111	54.4 Å²	54.4	72%	0.721	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	129.1	-173.3	-29.9	35.1	0	0	0	113.1	V91	P89-V91 PolarHBondContact O-N 3.35Å
90	G	85	Confident	92.1	Very high	93 Å²	93	53.6 Å²	53.6	96%	0.959	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-10.8	178.2	0	0	0	0	0	116.2	H88	H88-G90 PolarHBondContact O-N 2.67Å
91	V	89.1	Confident	92.3	Very high	68 Å²	68	50.6 Å²	50.6	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-50.3	-174.9	-172.6	0	0	0	0	112.3	F37 H88 P89	F37-V91 HydrophobicContact CB-CG1 3.77Å; F37-V91 HydrophobicContact CD2-CG1 4.09Å; F37-V91 HydrophobicContact CG-CG1 4.28Å; H88-V91 PolarHBondContact O-N 2.94Å; P89-V91 PolarHBondContact O-N 3.35Å
92	I	91.5	Very high	92.5	Very high	9 Å²	9	50 Å²	50	5%	0.046	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-122.2	119.1	-172.9	-58.3	172.8	0	0	0	109	L31 F37 Y83 G87 H88 A96 L98	L31-I92 HydrophobicContact CD2-CG2 4.46Å; F37-I92 HydrophobicContact CD2-CD1 4.29Å; F37-I92 HydrophobicContact CD2-CG1 4.35Å; F37-I92 HydrophobicContact CE2-CD1 4.02Å; F37-I92 HydrophobicContact CZ-CD1 4.31Å; Y83-I92 HydrophobicContact CD2-CD1 3.45Å; Y83-I92 VanDerWaalsContact CD2-CD1 3.45Å; Y83-I92 HydrophobicContact CD2-CG2 4.29Å; Y83-I92 HydrophobicContact CE1-CD1 4.41Å; Y83-I92 HydrophobicContact CE2-CD1 3.18Å; Y83-I92 HydrophobicContact CG-CD1 4.17Å; G87-I92 WeakPolarHBondContact CA-O 3.22Å; H88-I92 CarbonylContact C-O 3.51Å; H88-I92 HydrophobicContact CB-CB 3.8Å; H88-I92 HydrophobicContact CB-CD1 4.07Å; H88-I92 HydrophobicContact CB-CG1 4.09Å; H88-I92 PolarHBondContact N-O 3.5Å; H88-I92 PolarHBondContact O-N 3.19Å; H88-I92 VanDerWaalsContact O-O 3.07Å; I92-A96 HydrophobicContact CG2-CB 3.87Å; I92-L98 HydrophobicContact CD1-CD1 4.01Å; I92-L98 HydrophobicContact CG2-CD2 3.89Å
93	P	92.3	Very high	92.7	Very high	66 Å²	66	51.3 Å²	51.3	43%	0.429	33%	0.325	S	S	.	.			trans	-69.1	159.6	179.4	22.3	-23.7	0	0	0	112.3	L31 A96	L31-P93 HydrophobicContact CD1-CG 4.43Å; P93-A96 HydrophobicContact CG-CB 3.94Å; P93-A96 VanDerWaalsContact O-CB 3.24Å; P93-A96 WeakPolarHBondContact O-CB 3.38Å; P93-A96 PolarHBondContact O-N 2.79Å
94	P	94.2	Very high	92.9	Very high	84 Å²	84	47.2 Å²	47.2	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	139.1	168.1	-34	40.8	0	0	0	113.4	A85 A96	A85-P94 WeakPolarHBondContact O-CB 3.31Å; P94-A96 PolarHBondContact O-N 2.85Å; P94-A96 VanDerWaalsContact O-N 3.15Å
95	N	92.3	Very high	93.1	Very high	105 Å²	105	49.2 Å²	49.2	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	30	176.1	-60.8	-49.3	0	0	0	114.1	P79 G84 A85	P79-N95 VanDerWaalsContact CG-C 3.44Å; P79-N95 HydrophobicContact CG-CB 4.48Å; P79-N95 WeakPolarHBondContact CG-O 3.19Å; G84-N95 PolarHBondContact O-N 2.81Å; A85-N95 VanDerWaalsContact CA-OD1 3.24Å; A85-N95 WeakPolarHBondContact CA-OD1 3.41Å; A85-N95 PolarHBondContact N-OD1 2.91Å
96	A	92.6	Very high	93.2	Very high	16 Å²	16	51.1 Å²	51.1	13%	0.132	31%	0.31	C	S	.	.			trans	-80.4	128.4	179.1	0	0	0	0	0	111.8	L31 I92 P93 P94 L98	L31-A96 HydrophobicContact CD2-CB 4.28Å; I92-A96 HydrophobicContact CG2-CB 3.87Å; P93-A96 HydrophobicContact CG-CB 3.94Å; P93-A96 VanDerWaalsContact O-CB 3.24Å; P93-A96 WeakPolarHBondContact O-CB 3.38Å; P93-A96 PolarHBondContact O-N 2.79Å; P94-A96 PolarHBondContact O-N 2.85Å; P94-A96 VanDerWaalsContact O-N 3.15Å; A96-L98 HydrophobicContact CB-CD2 4.23Å
97	T	93.8	Very high	93.4	Very high	22 Å²	22	46.7 Å²	46.7	14%	0.135	28%	0.282	C	S	.	.			trans	-76.5	132	163.6	-55	0	0	0	0	108.7	Q32 T76 C77	Q32-T97 VanDerWaalsContact CD-CB 3.42Å; Q32-T97 HydrophobicContact CG-CG2 4.08Å; Q32-T97 VanDerWaalsContact OE1-CB 3.31Å; Q32-T97 PolarHBondContact OE1-OG1 2.9Å; T76-T97 HydrophobicContact CG2-CG2 3.78Å; C77-T97 WeakPolarHBondContact O-CA 3.46Å; C77-T97 WeakPolarHBondContact O-CG2 3.46Å
98	L	95.3	Very high	93.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.2	-178.2	-56.4	-172.9	0	0	0	110.7	L31 F37 C77 A82 Y83 I92 A96 F100	L31-L98 HydrophobicContact CD2-CD2 3.56Å; F37-L98 HydrophobicContact CE1-CD2 3.91Å; F37-L98 HydrophobicContact CZ-CD1 4.13Å; F37-L98 HydrophobicContact CZ-CD2 4.32Å; C77-L98 PolarHBondContact N-O 2.54Å; C77-L98 PolarHBondContact O-N 2.91Å; A82-L98 HydrophobicContact CB-CD1 3.8Å; A82-L98 HydrophobicContact CB-CG 4.09Å; Y83-L98 HydrophobicContact CD2-CD1 3.68Å; Y83-L98 HydrophobicContact CE2-CD1 3.72Å; I92-L98 HydrophobicContact CD1-CD1 4.01Å; I92-L98 HydrophobicContact CG2-CD2 3.89Å; A96-L98 HydrophobicContact CB-CD2 4.23Å; L98-F100 HydrophobicContact CB-CD2 4.13Å; L98-F100 HydrophobicContact CB-CE2 3.42Å; L98-F100 VanDerWaalsContact CB-CE2 3.42Å; L98-F100 HydrophobicContact CB-CZ 3.96Å; L98-F100 HydrophobicContact CD1-CE2 3.83Å; L98-F100 HydrophobicContact CD1-CZ 3.66Å; L98-F100 HydrophobicContact CG-CE2 4.3Å; L98-F100 HydrophobicContact CG-CZ 4.48Å
99	I	96.4	Very high	93.6	Very high	34 Å²	34	49.9 Å²	49.9	17%	0.174	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.5	176.4	-58.4	172.8	0	0	0	106.9	M30 Q32 K74 L75	M30-I99 PolarHBondContact N-O 3.2Å; M30-I99 PolarHBondContact O-N 2.89Å; Q32-I99 HydrophobicContact CG-CD1 4.28Å; K74-I99 HydrophobicContact CD-CG2 4.01Å; K74-I99 VanDerWaalsContact CE-CG2 3.42Å; K74-I99 HydrophobicContact CG-CG2 3.76Å; L75-I99 WeakPolarHBondContact O-CA 3.48Å
100	F	96.9	Very high	93.9	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.5	176.8	-62.9	-88.5	0	0	0	110.1	Y27 I28 F37 I57 W60 K74 L75 C77 L98 V102	Y27-F100 HydrophobicContact CD2-CD1 4.25Å; I28-F100 CarbonylContact O-C 3.44Å; I28-F100 VanDerWaalsContact O-CA 3.31Å; I28-F100 WeakPolarHBondContact O-CA 3.47Å; F37-F100 HydrophobicContact CE2-CE1 4.22Å; F37-F100 AromaticContact CZ-CE1 3.62Å; F37-F100 HydrophobicContact CZ-CE1 3.62Å; F37-F100 AromaticContact CZ-CZ 3.79Å; F37-F100 HydrophobicContact CZ-CZ 3.79Å; I57-F100 HydrophobicContact CD1-CE2 3.61Å; I57-F100 HydrophobicContact CD1-CZ 3.81Å; W60-F100 AromaticContact CE2-CD1 3.98Å; W60-F100 AromaticContact CZ2-CD1 3.9Å; W60-F100 HydrophobicContact CZ2-CD1 3.9Å; W60-F100 HydrophobicContact CZ2-CE1 4.37Å; W60-F100 HydrophobicContact CZ2-CG 4.35Å; W60-F100 AromaticContact NE1-CD1 3.45Å; W60-F100 AromaticContact NE1-CD2 3.44Å; W60-F100 AromaticContact NE1-CE1 3.7Å; W60-F100 AromaticContact NE1-CE2 3.68Å; W60-F100 AromaticContact NE1-CG 3.3Å; W60-F100 VanDerWaalsContact NE1-CG 3.3Å; W60-F100 AromaticContact NE1-CZ 3.8Å; K74-F100 CarbonylContact C-O 3.59Å; K74-F100 WeakPolarHBondContact CA-O 3.47Å; L75-F100 HydrophobicContact CB-CB 4.28Å; L75-F100 PolarHBondContact N-O 3.15Å; L75-F100 PolarHBondContact O-N 3.35Å; C77-F100 HydrophobicContact CB-CE2 4.47Å; L98-F100 HydrophobicContact CB-CD2 4.13Å; L98-F100 HydrophobicContact CB-CE2 3.42Å; L98-F100 VanDerWaalsContact CB-CE2 3.42Å; L98-F100 HydrophobicContact CB-CZ 3.96Å; L98-F100 HydrophobicContact CD1-CE2 3.83Å; L98-F100 HydrophobicContact CD1-CZ 3.66Å; L98-F100 HydrophobicContact CG-CE2 4.3Å; L98-F100 HydrophobicContact CG-CZ 4.48Å; F100-V102 HydrophobicContact CB-CG2 3.71Å
101	D	96.7	Very high	94.4	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	107.7	163.8	177.8	-17.3	0	0	0	107	Y27 I28 R72	Y27-D101 CarbonylContact C-O 3.58Å; Y27-D101 WeakPolarHBondContact CA-O 3.03Å; I28-D101 HydrophobicContact CB-CB 4.39Å; I28-D101 PolarHBondContact N-O 2.85Å; I28-D101 PolarHBondContact O-N 3.42Å; R72-D101 WeakPolarHBondContact CG-OD1 3.12Å; R72-D101 IonicContact CZ-OD1 3.59Å; R72-D101 IonicContact CZ-OD2 2.67Å; R72-D101 IonicContact NE-OD1 3.61Å; R72-D101 PolarHBondContact NE-OD1 2.98Å; R72-D101 IonicContact NE-OD2 3.4Å; R72-D101 PolarHBondContact NE-OD2 2.92Å; R72-D101 IonicContact NH2-OD1 3.32Å; R72-D101 IonicContact NH2-OD2 2.79Å; R72-D101 PolarHBondContact NH2-OD2 3.4Å
102	V	97.1	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.8	-173.8	-175.2	0	0	0	0	109.9	V25 H26 W60 V64 M67 R72 A73 L75 F100	V25-V102 HydrophobicContact CB-CG1 4.07Å; V25-V102 HydrophobicContact CG1-CG1 4.24Å; V25-V102 HydrophobicContact CG2-CG1 4.42Å; H26-V102 CarbonylContact O-C 3.45Å; H26-V102 WeakPolarHBondContact O-CA 3.2Å; W60-V102 HydrophobicContact CH2-CG2 4.36Å; W60-V102 HydrophobicContact CZ2-CG2 3.8Å; V64-V102 HydrophobicContact CG2-CG1 4.3Å; M67-V102 HydrophobicContact CE-CB 4.3Å; M67-V102 HydrophobicContact CE-CG1 4.19Å; M67-V102 WeakPolarHBondContact CE-O 3.44Å; M67-V102 HydrophobicContact SD-CB 4.25Å; M67-V102 HydrophobicContact SD-CG1 4.13Å; R72-V102 CarbonylContact C-O 3.49Å; R72-V102 VanDerWaalsContact CA-O 3.24Å; R72-V102 WeakPolarHBondContact CA-O 3.4Å; A73-V102 PolarHBondContact N-O 2.86Å; A73-V102 PolarHBondContact O-N 2.9Å; A73-V102 VanDerWaalsContact O-O 3.14Å; L75-V102 HydrophobicContact CD1-CB 4.35Å; L75-V102 HydrophobicContact CD1-CG2 3.76Å; L75-V102 HydrophobicContact CG-CG2 4.1Å; F100-V102 HydrophobicContact CB-CG2 3.71Å
103	E	97.3	Very high	94.9	Very high	50 Å²	50	44.8 Å²	44.8	23%	0.234	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.4	174.5	-176.5	178.6	-164.1	0	0	109	V25 H26 R41 Q71 R72 L105	V25-E103 CarbonylContact C-O 3.54Å; V25-E103 WeakPolarHBondContact CA-O 3.47Å; V25-E103 WeakPolarHBondContact CB-O 3.36Å; H26-E103 HydrophobicContact CB-CB 4.4Å; H26-E103 PolarHBondContact N-O 3.06Å; H26-E103 PolarHBondContact O-N 2.98Å; R41-E103 IonicContact CZ-OE2 2.84Å; R41-E103 IonicContact NH1-OE2 2.64Å; R41-E103 PolarHBondContact NH1-OE2 2.88Å; R41-E103 IonicContact NH2-OE2 2.99Å; R41-E103 PolarHBondContact NH2-OE2 2.79Å; Q71-E103 WeakPolarHBondContact O-CA 3.07Å; R72-E103 HydrophobicContact CB-CB 4.32Å; R72-E103 HydrophobicContact CB-CG 4.31Å; R72-E103 HydrophobicContact CG-CB 4.15Å; E103-L105 HydrophobicContact CG-CD2 3.82Å; E103-L105 PolarHBondContact O-N 2.86Å
104	L	96.6	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.2	178.7	-179.4	58.8	0	0	0	110	P17 C23 V25 M67 G70 Q71 L107	P17-L104 HydrophobicContact CG-CD2 3.93Å; C23-L104 HydrophobicContact CB-CD1 4.28Å; V25-L104 HydrophobicContact CG1-CD1 3.75Å; M67-L104 HydrophobicContact CB-CD2 4.41Å; M67-L104 HydrophobicContact CE-CB 4.22Å; G70-L104 WeakPolarHBondContact CA-O 3.25Å; G70-L104 PolarHBondContact N-O 2.74Å; Q71-L104 PolarHBondContact O-N 3.32Å; L104-L107 HydrophobicContact CD1-CD2 3.94Å; L104-L107 HydrophobicContact CD1-CG 4.49Å; L104-L107 HydrophobicContact CD2-CD1 4.48Å; L104-L107 HydrophobicContact CD2-CD2 4.21Å; L104-L107 HydrophobicContact CD2-CG 4.41Å
105	L	95.6	Very high	95.1	Very high	65 Å²	65	40.4 Å²	40.4	34%	0.34	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-41.9	-173.9	-55.1	171.3	0	0	0	112	V24 H26 P46 L69 E103	V24-L105 WeakPolarHBondContact O-CB 3.24Å; V24-L105 PolarHBondContact O-N 2.9Å; H26-L105 HydrophobicContact CB-CD1 4.26Å; H26-L105 VanDerWaalsContact CD2-CD1 3.44Å; H26-L105 WeakPolarHBondContact CD2-CD1 3.14Å; P46-L105 HydrophobicContact CB-CD1 3.99Å; P46-L105 HydrophobicContact CG-CD1 3.98Å; L69-L105 WeakPolarHBondContact CD1-O 3.44Å; E103-L105 HydrophobicContact CG-CD2 3.82Å; E103-L105 PolarHBondContact O-N 2.86Å
106	K	95	Very high	95.4	Very high	107 Å²	107	35.5 Å²	35.5	47%	0.465	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.7	-172.7	-162.8	-178.9	171.4	-155.8	0	111.8	V24 E108	V24-K106 HydrophobicContact CB-CB 3.96Å; V24-K106 HydrophobicContact CG2-CB 4.11Å; V24-K106 PolarHBondContact N-O 3.13Å; V24-K106 PolarHBondContact O-N 3.37Å; K106-E108 HydrophobicContact CD-CG 4.16Å; K106-E108 HydrophobicContact CG-CG 4.39Å; K106-E108 IonicContact NZ-OE1 2.67Å; K106-E108 PolarHBondContact NZ-OE1 3.33Å
107	L	94.1	Very high	95.6	Very high	28 Å²	28	37.1 Å²	37.1	15%	0.147	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.4	167.9	-63	171.7	0	0	0	108.7	T15 P17 C23 L104	T15-L107 HydrophobicContact CG2-CD1 3.89Å; P17-L107 HydrophobicContact CB-CD2 3.85Å; P17-L107 HydrophobicContact CG-CD1 4.44Å; P17-L107 HydrophobicContact CG-CD2 3.86Å; C23-L107 HydrophobicContact CB-CD2 4.36Å; L104-L107 HydrophobicContact CD1-CD2 3.94Å; L104-L107 HydrophobicContact CD1-CG 4.49Å; L104-L107 HydrophobicContact CD2-CD1 4.48Å; L104-L107 HydrophobicContact CD2-CD2 4.21Å; L104-L107 HydrophobicContact CD2-CG 4.41Å
108	E	92.5	Very high	95.8	Very high	113 Å²	113	38.5 Å²	38.5	53%	0.528	18%	0.184	S	C	.	.			trans	-120.2	0	178.1	-53.1	-179.6	150.4	0	0	111.3	T22 V24 K48 K106	T22-E108 PolarHBondContact N-O 3.4Å; T22-E108 PolarHBondContact O-N 2.82Å; V24-E108 HydrophobicContact CG2-CG 4.21Å; K48-E108 IonicContact NZ-OE1 3.36Å; K48-E108 PolarHBondContact NZ-OE1 3.18Å; K48-E108 IonicContact NZ-OE2 2.86Å; K48-E108 PolarHBondContact NZ-OE2 3.21Å; K106-E108 HydrophobicContact CD-CG 4.16Å; K106-E108 HydrophobicContact CG-CG 4.39Å; K106-E108 IonicContact NZ-OE1 2.67Å; K106-E108 PolarHBondContact NZ-OE1 3.33Å

Retrieved 108 of 108 residues in 168.1 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).