A0A087YEM9_POEFO Loading...

Ubiquitin-fold modifier 1

Ubiquitin-like modifier which can be covalently attached via an isopeptide bond to lysine residues of substrate proteins as a monomer or a lysine-linked polymer. The so-called ufmylation, requires the UFM1-activating E1 enzyme UBA5, the UFM1-conjugating E2 enzyme UFC1, and the UFM1-ligase E3 enzyme UFL1. Ufmylation is involved in various processes, such as ribosome recycling, response to DNA damage, transcription or reticulophagy (also called ER-phagy) induced in response to endoplasmic reticulum stress. Ubiquitin-like modifier which can be covalently attached via an isopeptide bond to lysine residues of substrate proteins as a monomer or a lysine-linked polymer. Ufmylation is involved in reticulophagy (also called ER-phagy) induced in response to endoplasmic reticulum stress.

AlphaFold DB (A0A3B3UTB8), UniProt , Accession A0A087YEM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 94 aa.

						>A0A087YEM9_POEFO|A0A087YEM9
MSKVTFKITLTSDPRLPYKVLSVPESTPFTAVLKFAAEEFKVPSATSAIITNDGIGINPAQTAGNVFLKHGSELRIIPRDRVGGQGDCISLSMA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.4	Low	90.1	Very high	200 Å²	200	57.7 Å²	57.7	99%	0.985	30%	0.302	S	S	*	.				0	114.4	0	-143.9	173.4	-148.7	0	0	106.9
2	S	87.1	Confident	89.4	Confident	81 Å²	81	57 Å²	57	57%	0.566	31%	0.305	S	S	*	.			trans	-74.5	135.5	-176	-67.5	0	0	0	0	110.3	E25	S2-E25 WeakPolarHBondContact CB-OE2 3.46Å; S2-E25 PolarHBondContact O-N 2.89Å
3	K	91.9	Very high	88.8	Confident	147 Å²	147	57.2 Å²	57.2	64%	0.639	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.8	179.9	-65.8	-178.5	-179.3	-179.8	0	108.6	V23	K3-V23 CarbonylContact C-O 3.54Å; K3-V23 WeakPolarHBondContact CA-O 3.13Å
4	V	94.3	Very high	88.6	Confident	5 Å²	5	62 Å²	62	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.8	171.9	-76	0	0	0	0	109.4	F6 S22 V23 E25 A63 F67	V4-F6 HydrophobicContact CB-CE2 4.23Å; V4-F6 HydrophobicContact CB-CZ 4.27Å; V4-F6 HydrophobicContact CG2-CE2 3.56Å; V4-F6 HydrophobicContact CG2-CZ 3.8Å; V4-S22 WeakPolarHBondContact O-CA 3.48Å; V4-V23 HydrophobicContact CG2-CG2 4.13Å; V4-V23 PolarHBondContact N-O 2.83Å; V4-V23 PolarHBondContact O-N 3.11Å; V4-E25 HydrophobicContact CB-CG 4.35Å; V4-E25 HydrophobicContact CG1-CG 3.53Å; V4-E25 HydrophobicContact CG2-CG 4.11Å; V4-A63 HydrophobicContact CG2-CB 3.82Å; V4-F67 HydrophobicContact CB-CB 4.04Å; V4-F67 HydrophobicContact CB-CD2 3.77Å; V4-F67 HydrophobicContact CB-CE2 4.32Å; V4-F67 HydrophobicContact CB-CG 3.88Å; V4-F67 HydrophobicContact CG1-CB 3.71Å; V4-F67 HydrophobicContact CG1-CD1 3.73Å; V4-F67 HydrophobicContact CG1-CD2 3.88Å; V4-F67 HydrophobicContact CG1-CE1 4.3Å; V4-F67 HydrophobicContact CG1-CE2 4.39Å; V4-F67 HydrophobicContact CG1-CG 3.49Å; V4-F67 VanDerWaalsContact CG1-CG 3.49Å
5	T	95	Very high	88.6	Confident	59 Å²	59	72.5 Å²	72.5	36%	0.362	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.4	-178.1	-57.2	0	0	0	0	108.9	V20 L21 F67 S72	T5-V20 HydrophobicContact CG2-CG1 3.32Å; T5-L21 CarbonylContact C-O 3.56Å; T5-L21 WeakPolarHBondContact CA-O 2.86Å; T5-F67 WeakPolarHBondContact O-CE2 3.38Å; T5-S72 WeakPolarHBondContact O-CB 3.49Å
6	F	94.9	Very high	88.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.6	177	-61	-75.1	0	0	0	110.6	V4 I8 V20 L21 V23 F29 V32 A63 V66 F67 S72 L74	V4-F6 HydrophobicContact CB-CE2 4.23Å; V4-F6 HydrophobicContact CB-CZ 4.27Å; V4-F6 HydrophobicContact CG2-CE2 3.56Å; V4-F6 HydrophobicContact CG2-CZ 3.8Å; F6-I8 HydrophobicContact CB-CG1 4.17Å; F6-V20 CarbonylContact O-C 3.58Å; F6-V20 VanDerWaalsContact O-CA 3.27Å; F6-V20 WeakPolarHBondContact O-CA 3.33Å; F6-L21 PolarHBondContact N-O 3.29Å; F6-L21 PolarHBondContact O-N 2.96Å; F6-V23 HydrophobicContact CD2-CG2 4.09Å; F6-V23 HydrophobicContact CE2-CG2 3.84Å; F6-F29 HydrophobicContact CD1-CE2 4.39Å; F6-F29 HydrophobicContact CD2-CE2 4.41Å; F6-F29 HydrophobicContact CE1-CE2 4.18Å; F6-F29 HydrophobicContact CE2-CD2 4.46Å; F6-F29 HydrophobicContact CE2-CE2 4.2Å; F6-F29 HydrophobicContact CG-CE2 4.49Å; F6-F29 HydrophobicContact CZ-CD2 4.35Å; F6-F29 HydrophobicContact CZ-CE2 4.08Å; F6-V32 HydrophobicContact CD2-CG1 4.32Å; F6-A63 HydrophobicContact CE2-CB 3.86Å; F6-A63 HydrophobicContact CZ-CB 4.12Å; F6-A63 WeakPolarHBondContact CZ-O 3.32Å; F6-V66 HydrophobicContact CE1-CB 4.46Å; F6-V66 HydrophobicContact CE1-CG1 4.13Å; F6-V66 HydrophobicContact CZ-CB 4.49Å; F6-F67 HydrophobicContact CD1-CD2 4.46Å; F6-F67 HydrophobicContact CE1-CB 3.88Å; F6-F67 AromaticContact CE1-CD2 3.97Å; F6-F67 HydrophobicContact CE1-CD2 3.97Å; F6-F67 HydrophobicContact CE1-CG 4.44Å; F6-F67 HydrophobicContact CZ-CB 3.89Å; F6-F67 HydrophobicContact CZ-CD2 4.35Å; F6-S72 CarbonylContact C-O 3.5Å; F6-S72 VanDerWaalsContact CA-O 3.27Å; F6-S72 WeakPolarHBondContact CA-O 3.48Å; F6-L74 HydrophobicContact CD1-CD1 3.57Å; F6-L74 HydrophobicContact CD1-CG 4.26Å; F6-L74 HydrophobicContact CE1-CD1 4.06Å; F6-L74 HydrophobicContact CG-CD1 4.28Å
7	K	95.5	Very high	88.9	Confident	71 Å²	71	71.8 Å²	71.8	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.7	165.4	179.2	-175.8	170.3	-166.2	0	107.3	Y18 K19 V20 S72 E73 L74	K7-Y18 HydrophobicContact CD-CD2 4.31Å; K7-Y18 HydrophobicContact CG-CD2 3.93Å; K7-Y18 HydrophobicContact CG-CG 4.3Å; K7-K19 CarbonylContact C-O 3.55Å; K7-K19 WeakPolarHBondContact CA-O 3.34Å; K7-V20 HydrophobicContact CB-CG2 4.49Å; K7-V20 HydrophobicContact CG-CG2 4.48Å; K7-S72 PolarHBondContact N-O 3.47Å; K7-E73 IonicContact NZ-OE1 2.77Å; K7-E73 PolarHBondContact NZ-OE1 3.35Å; K7-L74 PolarHBondContact O-N 3.5Å
8	I	94.3	Very high	89.1	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.9	179.8	-57.2	175.5	0	0	0	108.4	F6 Y18 K19 L21 V32 A36 F40 I49 L74 I76	F6-I8 HydrophobicContact CB-CG1 4.17Å; I8-Y18 CarbonylContact O-C 3.58Å; I8-Y18 VanDerWaalsContact O-CA 3.25Å; I8-Y18 WeakPolarHBondContact O-CA 3.19Å; I8-K19 PolarHBondContact N-O 3.03Å; I8-K19 PolarHBondContact O-N 2.83Å; I8-L21 HydrophobicContact CD1-CD1 3.9Å; I8-V32 HydrophobicContact CD1-CG1 3.9Å; I8-A36 HydrophobicContact CD1-CB 3.63Å; I8-A36 HydrophobicContact CG2-CB 4.15Å; I8-F40 HydrophobicContact CG2-CE2 4.17Å; I8-F40 WeakPolarHBondContact O-CZ 3.26Å; I8-I49 HydrophobicContact CG2-CD1 4.06Å; I8-L74 CarbonylContact C-O 3.56Å; I8-L74 WeakPolarHBondContact CA-O 3.47Å; I8-L74 HydrophobicContact CG1-CB 4.33Å; I8-I76 HydrophobicContact CG2-CB 3.88Å; I8-I76 HydrophobicContact CG2-CG2 3.89Å
9	T	93.2	Very high	89.4	Confident	22 Å²	22	75.9 Å²	75.9	14%	0.135	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.4	-178.9	-50.8	0	0	0	0	110.5	T11 L16 L74 R75 I76	T9-T11 PolarHBondContact O-N 3.45Å; T9-L16 HydrophobicContact CG2-CB 3.99Å; T9-L74 PolarHBondContact N-O 3.01Å; T9-R75 CarbonylContact O-C 3.5Å; T9-R75 VanDerWaalsContact O-CA 3.29Å; T9-R75 WeakPolarHBondContact O-CA 3.46Å; T9-I76 PolarHBondContact O-N 3.42Å
10	L	90.7	Very high	89.6	Confident	13 Å²	13	76.6 Å²	76.6	7%	0.068	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.4	173.9	179	68.5	0	0	0	109.8	S12 D13 P17 F40 V42 I76	L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.28Å; L10-D13 HydrophobicContact CD2-CB 3.97Å; L10-D13 HydrophobicContact CG-CB 4.42Å; L10-P17 HydrophobicContact CB-CG 4.11Å; L10-P17 HydrophobicContact CD2-CG 4.3Å; L10-P17 PolarHBondContact N-O 2.86Å; L10-F40 HydrophobicContact CB-CD1 3.74Å; L10-F40 HydrophobicContact CB-CD2 4.19Å; L10-F40 HydrophobicContact CB-CE1 3.78Å; L10-F40 HydrophobicContact CB-CE2 4.25Å; L10-F40 HydrophobicContact CB-CG 3.96Å; L10-F40 HydrophobicContact CB-CZ 4.04Å; L10-F40 HydrophobicContact CD1-CB 4.43Å; L10-F40 HydrophobicContact CD1-CG 4.46Å; L10-F40 HydrophobicContact CD2-CB 4.07Å; L10-F40 HydrophobicContact CD2-CD1 3.89Å; L10-F40 HydrophobicContact CD2-CG 4.09Å; L10-F40 HydrophobicContact CG-CD1 4.37Å; L10-F40 HydrophobicContact CG-CG 4.39Å; L10-V42 HydrophobicContact CD1-CG1 4.44Å; L10-I76 HydrophobicContact CB-CG2 4.03Å; L10-I76 HydrophobicContact CD1-CG2 3.74Å
11	T	87.3	Confident	89.8	Confident	37 Å²	37	74 Å²	74	23%	0.227	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.7	178.9	61	0	0	0	0	113	T9 D13 R75 I76 I77	T9-T11 PolarHBondContact O-N 3.45Å; T11-D13 VanDerWaalsContact C-N 3.28Å; T11-R75 HydrophobicContact CG2-CB 3.77Å; T11-R75 HydrophobicContact CG2-CG 3.93Å; T11-I76 PolarHBondContact N-O 2.98Å; T11-I76 PolarHBondContact OG1-O 3.47Å; T11-I77 WeakPolarHBondContact OG1-CG2 3.4Å
12	S	82.4	Confident	91.1	Very high	49 Å²	49	67.9 Å²	67.9	34%	0.343	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.9	175.1	-167.9	0	0	0	0	112.9	L10	L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.28Å
13	D	81.8	Confident	91.4	Very high	60 Å²	60	65.2 Å²	65.2	32%	0.321	34%	0.335	S	S	.	.	S	Bend	trans	-107.6	132.2	-177.1	-165.2	-71.1	0	0	0	109.7	L10 T11 R15 L16 P17	L10-D13 HydrophobicContact CD2-CB 3.97Å; L10-D13 HydrophobicContact CG-CB 4.42Å; T11-D13 VanDerWaalsContact C-N 3.28Å; D13-R15 PolarHBondContact O-N 3.15Å; D13-R15 VanDerWaalsContact O-N 3.13Å; D13-R15 VanDerWaalsContact OD1-CB 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.32Å; D13-R15 WeakPolarHBondContact OD1-CG 3.47Å; D13-R15 PolarHBondContact OD1-N 2.78Å; D13-L16 PolarHBondContact O-N 3.33Å; D13-P17 HydrophobicContact CB-CG 4.3Å
14	P	85	Confident	91.5	Very high	124 Å²	124	60.3 Å²	60.3	81%	0.805	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.1	-178.3	26.6	-36	0	0	0	113.4	L16	P14-L16 PolarHBondContact O-N 3.46Å
15	R	88.6	Confident	91.5	Very high	219 Å²	219	63.1 Å²	63.1	83%	0.826	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.2	175.8	-59.6	176.4	179.1	168.9	0.7	112.8	D13	D13-R15 PolarHBondContact O-N 3.15Å; D13-R15 VanDerWaalsContact O-N 3.13Å; D13-R15 VanDerWaalsContact OD1-CB 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.32Å; D13-R15 WeakPolarHBondContact OD1-CG 3.47Å; D13-R15 PolarHBondContact OD1-N 2.78Å
16	L	89.1	Confident	91.5	Very high	85 Å²	85	64.6 Å²	64.6	45%	0.445	34%	0.344	S	S	.	.			trans	47	53.4	-179.8	-59.5	173	0	0	0	112.6	T9 D13 P14 Y18	T9-L16 HydrophobicContact CG2-CB 3.99Å; D13-L16 PolarHBondContact O-N 3.33Å; P14-L16 PolarHBondContact O-N 3.46Å; L16-Y18 PolarHBondContact O-N 2.79Å
17	P	93.1	Very high	91.4	Very high	49 Å²	49	66.3 Å²	66.3	32%	0.318	36%	0.355	S	S	.	.			trans	-63.3	138.4	-180	29.4	-33.2	0	0	0	109.2	L10 D13 F40	L10-P17 HydrophobicContact CB-CG 4.11Å; L10-P17 HydrophobicContact CD2-CG 4.3Å; L10-P17 PolarHBondContact N-O 2.86Å; D13-P17 HydrophobicContact CB-CG 4.3Å; P17-F40 HydrophobicContact CB-CE1 4.1Å; P17-F40 HydrophobicContact CG-CD1 4.33Å; P17-F40 HydrophobicContact CG-CE1 3.99Å; P17-F40 WeakPolarHBondContact O-CE1 3.38Å; P17-F40 WeakPolarHBondContact O-CZ 3.27Å
18	Y	93.9	Very high	91.4	Very high	140 Å²	140	66.2 Å²	66.2	55%	0.549	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.3	178.2	69.7	-89.5	0	0	0	111.2	K7 I8 L16 V20	K7-Y18 HydrophobicContact CD-CD2 4.31Å; K7-Y18 HydrophobicContact CG-CD2 3.93Å; K7-Y18 HydrophobicContact CG-CG 4.3Å; I8-Y18 CarbonylContact O-C 3.58Å; I8-Y18 VanDerWaalsContact O-CA 3.25Å; I8-Y18 WeakPolarHBondContact O-CA 3.19Å; L16-Y18 PolarHBondContact O-N 2.79Å; Y18-V20 HydrophobicContact CD2-CG2 4.1Å; Y18-V20 HydrophobicContact CE2-CG2 4.12Å
19	K	93.1	Very high	91.4	Very high	82 Å²	82	66.2 Å²	66.2	36%	0.357	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.9	175.1	-69.3	-69.1	-174.1	141.3	0	109.3	K7 I8 E39 F40	K7-K19 CarbonylContact C-O 3.55Å; K7-K19 WeakPolarHBondContact CA-O 3.34Å; I8-K19 PolarHBondContact N-O 3.03Å; I8-K19 PolarHBondContact O-N 2.83Å; K19-E39 WeakPolarHBondContact CE-OE2 3.36Å; K19-E39 IonicContact NZ-OE2 3.46Å; K19-E39 PolarHBondContact NZ-OE2 3.4Å; K19-F40 HydrophobicContact CB-CZ 4.11Å; K19-F40 HydrophobicContact CG-CE1 4Å; K19-F40 HydrophobicContact CG-CE2 4.29Å; K19-F40 HydrophobicContact CG-CZ 3.67Å
20	V	94.1	Very high	91.3	Very high	89 Å²	89	68.6 Å²	68.6	54%	0.539	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.3	176.1	-177.4	0	0	0	0	108.2	T5 F6 K7 Y18	T5-V20 HydrophobicContact CG2-CG1 3.32Å; F6-V20 CarbonylContact O-C 3.58Å; F6-V20 VanDerWaalsContact O-CA 3.27Å; F6-V20 WeakPolarHBondContact O-CA 3.33Å; K7-V20 HydrophobicContact CB-CG2 4.49Å; K7-V20 HydrophobicContact CG-CG2 4.48Å; Y18-V20 HydrophobicContact CD2-CG2 4.1Å; Y18-V20 HydrophobicContact CE2-CG2 4.12Å
21	L	93.3	Very high	91.4	Very high	21 Å²	21	70.2 Å²	70.2	11%	0.11	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.6	-179.3	-58.2	-178	0	0	0	109.3	T5 F6 I8 V32 F35 A36	T5-L21 CarbonylContact C-O 3.56Å; T5-L21 WeakPolarHBondContact CA-O 2.86Å; F6-L21 PolarHBondContact N-O 3.29Å; F6-L21 PolarHBondContact O-N 2.96Å; I8-L21 HydrophobicContact CD1-CD1 3.9Å; L21-V32 HydrophobicContact CD1-CG1 4.01Å; L21-F35 HydrophobicContact CD1-CD1 3.84Å; L21-F35 HydrophobicContact CD2-CD1 3.71Å; L21-F35 HydrophobicContact CD2-CE1 3.57Å; L21-F35 HydrophobicContact CG-CD1 4.45Å; L21-A36 HydrophobicContact CD1-CB 4.2Å
22	S	94.1	Very high	91.7	Very high	72 Å²	72	68.6 Å²	68.6	50%	0.503	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.4	172.7	-170.4	0	0	0	0	109.5	V4	V4-S22 WeakPolarHBondContact O-CA 3.48Å
23	V	93.8	Very high	92.1	Very high	25 Å²	25	67 Å²	67	15%	0.152	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.1	-176.3	-62.5	0	0	0	0	111	K3 V4 F6 V32 A63	K3-V23 CarbonylContact C-O 3.54Å; K3-V23 WeakPolarHBondContact CA-O 3.13Å; V4-V23 HydrophobicContact CG2-CG2 4.13Å; V4-V23 PolarHBondContact N-O 2.83Å; V4-V23 PolarHBondContact O-N 3.11Å; F6-V23 HydrophobicContact CD2-CG2 4.09Å; F6-V23 HydrophobicContact CE2-CG2 3.84Å; V23-V32 HydrophobicContact CG1-CG2 4.25Å; V23-V32 HydrophobicContact CG2-CG2 3.91Å; V23-A63 HydrophobicContact CG2-CB 3.94Å
24	P	95.1	Very high	92.6	Very high	44 Å²	44	69.5 Å²	69.5	29%	0.286	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	145.3	169.9	-21.1	31.3	0	0	0	112.1	S26 T27	P24-S26 PolarHBondContact O-N 3.17Å; P24-T27 WeakPolarHBondContact CD-OG1 3.37Å; P24-T27 VanDerWaalsContact O-CB 3.26Å; P24-T27 WeakPolarHBondContact O-CB 3.32Å; P24-T27 PolarHBondContact O-N 2.93Å; P24-T27 PolarHBondContact O-OG1 2.94Å
25	E	93.8	Very high	92.9	Very high	65 Å²	65	68.5 Å²	68.5	30%	0.304	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.5	178.1	-73.3	-177.2	116.2	0	0	113.7	S2 V4 T27 G64	S2-E25 WeakPolarHBondContact CB-OE2 3.46Å; S2-E25 PolarHBondContact O-N 2.89Å; V4-E25 HydrophobicContact CB-CG 4.35Å; V4-E25 HydrophobicContact CG1-CG 3.53Å; V4-E25 HydrophobicContact CG2-CG 4.11Å; E25-T27 PolarHBondContact O-N 3.28Å; E25-G64 PolarHBondContact O-N 3.07Å
26	S	93.5	Very high	93.1	Very high	90 Å²	90	58.1 Å²	58.1	63%	0.629	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	178.9	-39.7	0	0	0	0	113.3	P24	P24-S26 PolarHBondContact O-N 3.17Å
27	T	94.2	Very high	93.1	Very high	36 Å²	36	54 Å²	54	22%	0.221	30%	0.299	C	S	.	.	S	Bend	trans	-67.7	135.1	-178.3	-62.9	0	0	0	0	110	P24 E25 F29 A31 V32 A63	P24-T27 WeakPolarHBondContact CD-OG1 3.37Å; P24-T27 VanDerWaalsContact O-CB 3.26Å; P24-T27 WeakPolarHBondContact O-CB 3.32Å; P24-T27 PolarHBondContact O-N 2.93Å; P24-T27 PolarHBondContact O-OG1 2.94Å; E25-T27 PolarHBondContact O-N 3.28Å; T27-F29 PolarHBondContact O-N 2.84Å; T27-A31 HydrophobicContact CG2-CB 4.35Å; T27-V32 HydrophobicContact CG2-CG2 4.46Å; T27-A63 WeakPolarHBondContact O-CB 3.43Å; T27-A63 PolarHBondContact O-N 3.42Å
28	P	94.8	Very high	93	Very high	69 Å²	69	57.3 Å²	57.3	45%	0.448	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-65.8	135.2	175.7	27.8	-35.2	0	0	0	110.4	T30 A31	P28-T30 PolarHBondContact O-N 3.18Å; P28-A31 HydrophobicContact CG-CB 4.22Å; P28-A31 WeakPolarHBondContact O-CB 3.29Å; P28-A31 PolarHBondContact O-N 3.23Å
29	F	93.5	Very high	92.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-21.9	-177.3	-164.8	-102.2	0	0	0	112.6	F6 T27 A31 V32 L33 I49 I57 P59 Q61 V66 L74	F6-F29 HydrophobicContact CD1-CE2 4.39Å; F6-F29 HydrophobicContact CD2-CE2 4.41Å; F6-F29 HydrophobicContact CE1-CE2 4.18Å; F6-F29 HydrophobicContact CE2-CD2 4.46Å; F6-F29 HydrophobicContact CE2-CE2 4.2Å; F6-F29 HydrophobicContact CG-CE2 4.49Å; F6-F29 HydrophobicContact CZ-CD2 4.35Å; F6-F29 HydrophobicContact CZ-CE2 4.08Å; T27-F29 PolarHBondContact O-N 2.84Å; F29-A31 VanDerWaalsContact C-N 3.26Å; F29-A31 PolarHBondContact O-N 2.93Å; F29-V32 HydrophobicContact CD2-CB 4.08Å; F29-V32 HydrophobicContact CD2-CG1 4.41Å; F29-V32 HydrophobicContact CD2-CG2 4.21Å; F29-V32 HydrophobicContact CE2-CB 4.19Å; F29-V32 HydrophobicContact CE2-CG1 4.05Å; F29-V32 WeakPolarHBondContact O-CB 3.32Å; F29-V32 PolarHBondContact O-N 3.2Å; F29-V32 VanDerWaalsContact O-N 3.15Å; F29-L33 PolarHBondContact O-N 2.98Å; F29-I49 HydrophobicContact CE1-CB 4.08Å; F29-I49 HydrophobicContact CE1-CG1 4Å; F29-I49 HydrophobicContact CE1-CG2 3.97Å; F29-I49 HydrophobicContact CZ-CG1 4.46Å; F29-I49 HydrophobicContact CZ-CG2 4.08Å; F29-I57 HydrophobicContact CD1-CG2 4.48Å; F29-I57 HydrophobicContact CE1-CG2 4.33Å; F29-P59 HydrophobicContact CD1-CB 4.16Å; F29-Q61 WeakPolarHBondContact CB-O 3.43Å; F29-Q61 PolarHBondContact N-O 3.19Å; F29-V66 HydrophobicContact CB-CG2 4Å; F29-V66 HydrophobicContact CD1-CG2 4.1Å; F29-V66 HydrophobicContact CD2-CB 4.03Å; F29-V66 HydrophobicContact CD2-CG1 4.14Å; F29-V66 HydrophobicContact CD2-CG2 3.79Å; F29-V66 HydrophobicContact CE2-CB 4.24Å; F29-V66 HydrophobicContact CE2-CG1 3.86Å; F29-V66 HydrophobicContact CE2-CG2 4.33Å; F29-V66 HydrophobicContact CG-CB 4.42Å; F29-V66 HydrophobicContact CG-CG2 3.68Å; F29-V66 HydrophobicContact CZ-CG1 4.09Å; F29-L74 HydrophobicContact CE1-CD1 4.46Å; F29-L74 HydrophobicContact CE2-CD1 3.77Å; F29-L74 HydrophobicContact CZ-CD1 3.38Å
30	T	93	Very high	92.6	Very high	71 Å²	71	52 Å²	52	44%	0.436	29%	0.291	S	S	.	.	H	α-helix	trans	-55	-39	168.7	52.8	0	0	0	0	112.9	P28 K34 P59	P28-T30 PolarHBondContact O-N 3.18Å; T30-K34 WeakPolarHBondContact O-CB 3.27Å; T30-K34 PolarHBondContact O-N 3.4Å; T30-P59 HydrophobicContact CG2-CB 3.97Å; T30-P59 HydrophobicContact CG2-CG 4.43Å; T30-P59 WeakPolarHBondContact CG2-O 3.06Å; T30-P59 PolarHBondContact N-O 3.36Å
31	A	92.8	Very high	92.3	Very high	47 Å²	47	57 Å²	57	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-69.8	-38.4	177.8	0	0	0	0	0	111.3	T27 P28 F29 K34 F35	T27-A31 HydrophobicContact CG2-CB 4.35Å; P28-A31 HydrophobicContact CG-CB 4.22Å; P28-A31 WeakPolarHBondContact O-CB 3.29Å; P28-A31 PolarHBondContact O-N 3.23Å; F29-A31 VanDerWaalsContact C-N 3.26Å; F29-A31 PolarHBondContact O-N 2.93Å; A31-K34 PolarHBondContact O-N 2.83Å; A31-F35 WeakPolarHBondContact O-CB 3.22Å; A31-F35 PolarHBondContact O-N 2.97Å
32	V	92.2	Very high	91.9	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-46	175.8	-175	0	0	0	0	110.7	F6 I8 L21 V23 T27 F29 F35 A36	F6-V32 HydrophobicContact CD2-CG1 4.32Å; I8-V32 HydrophobicContact CD1-CG1 3.9Å; L21-V32 HydrophobicContact CD1-CG1 4.01Å; V23-V32 HydrophobicContact CG1-CG2 4.25Å; V23-V32 HydrophobicContact CG2-CG2 3.91Å; T27-V32 HydrophobicContact CG2-CG2 4.46Å; F29-V32 HydrophobicContact CD2-CB 4.08Å; F29-V32 HydrophobicContact CD2-CG1 4.41Å; F29-V32 HydrophobicContact CD2-CG2 4.21Å; F29-V32 HydrophobicContact CE2-CB 4.19Å; F29-V32 HydrophobicContact CE2-CG1 4.05Å; F29-V32 WeakPolarHBondContact O-CB 3.32Å; F29-V32 PolarHBondContact O-N 3.2Å; F29-V32 VanDerWaalsContact O-N 3.15Å; V32-F35 PolarHBondContact O-N 3.38Å; V32-A36 WeakPolarHBondContact O-CB 3.32Å; V32-A36 PolarHBondContact O-N 2.93Å
33	L	91.5	Very high	91.4	Very high	17 Å²	17	58.1 Å²	58.1	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-48.4	175.4	168	53.4	0	0	0	111.5	F29 F35 A36 A37 I49 P59 I76	F29-L33 PolarHBondContact O-N 2.98Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-F35 PolarHBondContact O-N 2.86Å; L33-A36 PolarHBondContact O-N 2.87Å; L33-A37 WeakPolarHBondContact O-CB 3.43Å; L33-A37 PolarHBondContact O-N 3.22Å; L33-I49 HydrophobicContact CB-CG1 4.32Å; L33-I49 HydrophobicContact CD1-CD1 3.84Å; L33-I49 HydrophobicContact CD1-CG1 3.54Å; L33-I49 HydrophobicContact CD2-CG1 4.48Å; L33-I49 HydrophobicContact CG-CG1 4.3Å; L33-P59 HydrophobicContact CD2-CB 4.08Å; L33-P59 HydrophobicContact CD2-CG 4.2Å; L33-I76 HydrophobicContact CD1-CD1 3.91Å; L33-I76 HydrophobicContact CD1-CG1 4.42Å
34	K	91.4	Very high	90.9	Very high	112 Å²	112	59 Å²	59	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-47.2	179.4	-173.5	178.8	176.2	-177	0	111.3	T30 A31 A36 A37 E38	T30-K34 WeakPolarHBondContact O-CB 3.27Å; T30-K34 PolarHBondContact O-N 3.4Å; A31-K34 PolarHBondContact O-N 2.83Å; K34-A36 PolarHBondContact O-N 2.99Å; K34-A37 PolarHBondContact O-N 2.91Å; K34-E38 WeakPolarHBondContact O-CG 3.47Å; K34-E38 PolarHBondContact O-N 2.8Å
35	F	92.6	Very high	90.3	Very high	103 Å²	103	61.3 Å²	61.3	45%	0.452	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-44.7	178.7	-170.7	-90.1	0	0	0	112.3	L21 A31 V32 L33 A37 E38 E39	L21-F35 HydrophobicContact CD1-CD1 3.84Å; L21-F35 HydrophobicContact CD2-CD1 3.71Å; L21-F35 HydrophobicContact CD2-CE1 3.57Å; L21-F35 HydrophobicContact CG-CD1 4.45Å; A31-F35 WeakPolarHBondContact O-CB 3.22Å; A31-F35 PolarHBondContact O-N 2.97Å; V32-F35 PolarHBondContact O-N 3.38Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-F35 PolarHBondContact O-N 2.86Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 2.84Å; F35-E38 PolarHBondContact O-N 2.62Å; F35-E39 HydrophobicContact CD1-CG 4.13Å; F35-E39 HydrophobicContact CE1-CG 3.79Å; F35-E39 HydrophobicContact CZ-CG 4.4Å; F35-E39 WeakPolarHBondContact O-CG 3.34Å; F35-E39 PolarHBondContact O-N 2.84Å
36	A	91.4	Very high	89.7	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-41.9	176.6	0	0	0	0	0	112	I8 L21 V32 L33 K34 E39 F40 I76	I8-A36 HydrophobicContact CD1-CB 3.63Å; I8-A36 HydrophobicContact CG2-CB 4.15Å; L21-A36 HydrophobicContact CD1-CB 4.2Å; V32-A36 WeakPolarHBondContact O-CB 3.32Å; V32-A36 PolarHBondContact O-N 2.93Å; L33-A36 PolarHBondContact O-N 2.87Å; K34-A36 PolarHBondContact O-N 2.99Å; A36-E39 PolarHBondContact O-N 2.82Å; A36-F40 WeakPolarHBondContact O-CD2 3.35Å; A36-F40 PolarHBondContact O-N 2.89Å; A36-F40 VanDerWaalsContact O-N 3.08Å; A36-I76 HydrophobicContact CB-CD1 4.47Å
37	A	89.9	Confident	89.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-43.6	177	0	0	0	0	0	111.8	L33 K34 F35 E39 F40 K41 V42 I76	L33-A37 WeakPolarHBondContact O-CB 3.43Å; L33-A37 PolarHBondContact O-N 3.22Å; K34-A37 PolarHBondContact O-N 2.91Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 2.84Å; A37-E39 PolarHBondContact O-N 2.97Å; A37-F40 CarbonylContact O-C 3.54Å; A37-F40 PolarHBondContact O-N 3.29Å; A37-K41 PolarHBondContact O-N 2.84Å; A37-V42 CarbonylContact C-O 3.36Å; A37-V42 HydrophobicContact CB-CG2 3.93Å; A37-V42 WeakPolarHBondContact CB-O 3.38Å; A37-V42 WeakPolarHBondContact O-CG2 3.38Å; A37-V42 PolarHBondContact O-N 3.47Å; A37-V42 VanDerWaalsContact O-O 3.05Å; A37-I76 HydrophobicContact CB-CD1 4.08Å
38	E	90.5	Very high	89.1	Confident	118 Å²	118	56.3 Å²	56.3	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-43.4	175.4	-71.3	175.2	116.4	0	0	112.1	K34 F35 F40 K41	K34-E38 WeakPolarHBondContact O-CG 3.47Å; K34-E38 PolarHBondContact O-N 2.8Å; F35-E38 PolarHBondContact O-N 2.62Å; E38-F40 VanDerWaalsContact C-N 3.31Å; E38-F40 PolarHBondContact O-N 3.07Å; E38-K41 PolarHBondContact O-N 3.31Å
39	E	89.9	Confident	88.9	Confident	85 Å²	85	53.2 Å²	53.2	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-39.5	176.4	-81.4	-69.9	105	0	0	112.9	K19 F35 A36 A37 K41	K19-E39 WeakPolarHBondContact CE-OE2 3.36Å; K19-E39 IonicContact NZ-OE2 3.46Å; K19-E39 PolarHBondContact NZ-OE2 3.4Å; F35-E39 HydrophobicContact CD1-CG 4.13Å; F35-E39 HydrophobicContact CE1-CG 3.79Å; F35-E39 HydrophobicContact CZ-CG 4.4Å; F35-E39 WeakPolarHBondContact O-CG 3.34Å; F35-E39 PolarHBondContact O-N 2.84Å; A36-E39 PolarHBondContact O-N 2.82Å; A37-E39 PolarHBondContact O-N 2.97Å; E39-K41 PolarHBondContact O-N 3.48Å
40	F	88.8	Confident	88.8	Confident	25 Å²	25	54 Å²	54	11%	0.11	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2	176.4	-69.8	-57.9	0	0	0	113.3	I8 L10 P17 K19 A36 A37 E38 V42 I76	I8-F40 HydrophobicContact CG2-CE2 4.17Å; I8-F40 WeakPolarHBondContact O-CZ 3.26Å; L10-F40 HydrophobicContact CB-CD1 3.74Å; L10-F40 HydrophobicContact CB-CD2 4.19Å; L10-F40 HydrophobicContact CB-CE1 3.78Å; L10-F40 HydrophobicContact CB-CE2 4.25Å; L10-F40 HydrophobicContact CB-CG 3.96Å; L10-F40 HydrophobicContact CB-CZ 4.04Å; L10-F40 HydrophobicContact CD1-CB 4.43Å; L10-F40 HydrophobicContact CD1-CG 4.46Å; L10-F40 HydrophobicContact CD2-CB 4.07Å; L10-F40 HydrophobicContact CD2-CD1 3.89Å; L10-F40 HydrophobicContact CD2-CG 4.09Å; L10-F40 HydrophobicContact CG-CD1 4.37Å; L10-F40 HydrophobicContact CG-CG 4.39Å; P17-F40 HydrophobicContact CB-CE1 4.1Å; P17-F40 HydrophobicContact CG-CD1 4.33Å; P17-F40 HydrophobicContact CG-CE1 3.99Å; P17-F40 WeakPolarHBondContact O-CE1 3.38Å; P17-F40 WeakPolarHBondContact O-CZ 3.27Å; K19-F40 HydrophobicContact CB-CZ 4.11Å; K19-F40 HydrophobicContact CG-CE1 4Å; K19-F40 HydrophobicContact CG-CE2 4.29Å; K19-F40 HydrophobicContact CG-CZ 3.67Å; A36-F40 WeakPolarHBondContact O-CD2 3.35Å; A36-F40 PolarHBondContact O-N 2.89Å; A36-F40 VanDerWaalsContact O-N 3.08Å; A37-F40 CarbonylContact O-C 3.54Å; A37-F40 PolarHBondContact O-N 3.29Å; E38-F40 VanDerWaalsContact C-N 3.31Å; E38-F40 PolarHBondContact O-N 3.07Å; F40-V42 HydrophobicContact CB-CG1 4.45Å; F40-V42 HydrophobicContact CB-CG2 4.03Å; F40-V42 PolarHBondContact O-N 3.07Å; F40-I76 HydrophobicContact CD2-CG2 3.8Å; F40-I76 HydrophobicContact CE2-CG2 3.9Å
41	K	87.6	Confident	88.7	Confident	195 Å²	195	50.9 Å²	50.9	85%	0.848	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	33.1	-176	-55.5	-178.6	178.5	-178.3	0	113	A37 E38 E39	A37-K41 PolarHBondContact O-N 2.84Å; E38-K41 PolarHBondContact O-N 3.31Å; E39-K41 PolarHBondContact O-N 3.48Å
42	V	84.9	Confident	88.4	Confident	33 Å²	33	51.7 Å²	51.7	20%	0.2	28%	0.277	C	S	.	.			trans	-108.9	150	176.1	-63	0	0	0	0	110.5	L10 A37 F40 S44 I76	L10-V42 HydrophobicContact CD1-CG1 4.44Å; A37-V42 CarbonylContact C-O 3.36Å; A37-V42 HydrophobicContact CB-CG2 3.93Å; A37-V42 WeakPolarHBondContact CB-O 3.38Å; A37-V42 WeakPolarHBondContact O-CG2 3.38Å; A37-V42 PolarHBondContact O-N 3.47Å; A37-V42 VanDerWaalsContact O-O 3.05Å; F40-V42 HydrophobicContact CB-CG1 4.45Å; F40-V42 HydrophobicContact CB-CG2 4.03Å; F40-V42 PolarHBondContact O-N 3.07Å; V42-S44 PolarHBondContact O-N 2.97Å; V42-I76 HydrophobicContact CG2-CD1 4.34Å
43	P	85	Confident	88.1	Confident	82 Å²	82	58.1 Å²	58.1	53%	0.532	31%	0.311	S	S	.	.			trans	-67.6	124.4	178.1	-1.1	10.8	0	0	0	110.8	A45 T46 S47	P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 2.96Å; P43-T46 WeakPolarHBondContact CB-OG1 3.29Å; P43-T46 WeakPolarHBondContact CG-OG1 3.36Å; P43-T46 PolarHBondContact O-N 3.5Å; P43-T46 PolarHBondContact O-OG1 3.13Å; P43-S47 WeakPolarHBondContact O-CB 3.41Å; P43-S47 PolarHBondContact O-N 2.94Å; P43-S47 PolarHBondContact O-OG 3.29Å
44	S	82.8	Confident	87.7	Confident	44 Å²	44	59.3 Å²	59.3	31%	0.308	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.7	-32.4	178.3	66.5	0	0	0	0	112.9	V42 T46 S47	V42-S44 PolarHBondContact O-N 2.97Å; S44-T46 VanDerWaalsContact C-N 3.28Å; S44-T46 PolarHBondContact O-N 3.4Å; S44-S47 PolarHBondContact O-N 2.86Å
45	A	81.9	Confident	87.6	Confident	92 Å²	92	58.4 Å²	58.4	76%	0.76	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.4	-32.5	-179.4	0	0	0	0	0	112.7	P43	P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 2.96Å
46	T	81.4	Confident	87.4	Confident	59 Å²	59	56.2 Å²	56.2	36%	0.362	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-100.8	12.4	176.6	62.3	0	0	0	0	111.5	P43 S44 P78 R79	P43-T46 WeakPolarHBondContact CB-OG1 3.29Å; P43-T46 WeakPolarHBondContact CG-OG1 3.36Å; P43-T46 PolarHBondContact O-N 3.5Å; P43-T46 PolarHBondContact O-OG1 3.13Å; S44-T46 VanDerWaalsContact C-N 3.28Å; S44-T46 PolarHBondContact O-N 3.4Å; T46-P78 CarbonylContact O-C 3.47Å; T46-P78 WeakPolarHBondContact O-CA 3.18Å; T46-R79 WeakPolarHBondContact O-CA 3.39Å; T46-R79 WeakPolarHBondContact O-CB 3.36Å; T46-R79 PolarHBondContact O-N 3.22Å
47	S	86.4	Confident	87.4	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.063	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.4	178.2	-64	0	0	0	0	111	P43 S44 I77	P43-S47 WeakPolarHBondContact O-CB 3.41Å; P43-S47 PolarHBondContact O-N 2.94Å; P43-S47 PolarHBondContact O-OG 3.29Å; S44-S47 PolarHBondContact O-N 2.86Å; S47-I77 CarbonylContact C-O 3.52Å; S47-I77 WeakPolarHBondContact CA-O 3.4Å
48	A	89.1	Confident	87.3	Confident	18 Å²	18	61.8 Å²	61.8	15%	0.149	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.7	172.7	0	0	0	0	0	110.3	I76 I77 R79	A48-I76 WeakPolarHBondContact O-CA 3.49Å; A48-I77 HydrophobicContact CB-CD1 4.34Å; A48-I77 HydrophobicContact CB-CG1 4Å; A48-I77 PolarHBondContact N-O 2.95Å; A48-I77 WeakPolarHBondContact O-CG1 3.35Å; A48-I77 PolarHBondContact O-N 3.25Å; A48-R79 HydrophobicContact CB-CG 3.79Å
49	I	90.8	Very high	87.1	Confident	4 Å²	4	58 Å²	58	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	176.4	-62	-70.5	0	0	0	108.9	I8 F29 L33 I57 L74 R75 I76	I8-I49 HydrophobicContact CG2-CD1 4.06Å; F29-I49 HydrophobicContact CE1-CB 4.08Å; F29-I49 HydrophobicContact CE1-CG1 4Å; F29-I49 HydrophobicContact CE1-CG2 3.97Å; F29-I49 HydrophobicContact CZ-CG1 4.46Å; F29-I49 HydrophobicContact CZ-CG2 4.08Å; L33-I49 HydrophobicContact CB-CG1 4.32Å; L33-I49 HydrophobicContact CD1-CD1 3.84Å; L33-I49 HydrophobicContact CD1-CG1 3.54Å; L33-I49 HydrophobicContact CD2-CG1 4.48Å; L33-I49 HydrophobicContact CG-CG1 4.3Å; I49-I57 HydrophobicContact CG2-CB 4.48Å; I49-I57 HydrophobicContact CG2-CD1 4.1Å; I49-I57 PolarHBondContact O-N 3.35Å; I49-L74 HydrophobicContact CG2-CB 3.95Å; I49-L74 HydrophobicContact CG2-CD1 4.06Å; I49-L74 HydrophobicContact CG2-CD2 4.48Å; I49-L74 HydrophobicContact CG2-CG 4.41Å; I49-R75 CarbonylContact C-O 3.6Å; I49-R75 VanDerWaalsContact CA-O 3.32Å; I49-R75 WeakPolarHBondContact CA-O 3.43Å; I49-I76 HydrophobicContact CD1-CB 3.63Å; I49-I76 HydrophobicContact CD1-CD1 4.19Å; I49-I76 HydrophobicContact CD1-CG1 3.83Å
50	I	91.4	Very high	87.1	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.1	175.7	68.8	176.7	0	0	0	110.2	I55 R75 I77	I50-I55 CarbonylContact C-O 3.53Å; I50-I55 WeakPolarHBondContact CA-O 3.25Å; I50-R75 HydrophobicContact CD1-CB 4.37Å; I50-R75 HydrophobicContact CG1-CB 3.72Å; I50-R75 PolarHBondContact N-O 3.16Å; I50-R75 PolarHBondContact O-N 3.18Å; I50-I77 HydrophobicContact CD1-CD1 4.43Å; I50-I77 HydrophobicContact CD1-CG2 3.79Å; I50-I77 HydrophobicContact CG1-CG2 4.37Å; I50-I77 HydrophobicContact CG2-CD1 3.69Å; I50-I77 HydrophobicContact CG2-CG1 4.04Å
51	T	90.4	Very high	87.3	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.031	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	173.1	169	63.9	0	0	0	0	111.8	D53 G54 I55 I57 H70 L74	T51-D53 PolarHBondContact O-N 3.43Å; T51-D53 PolarHBondContact OG1-N 2.81Å; T51-G54 PolarHBondContact O-N 2.88Å; T51-I55 HydrophobicContact CG2-CB 4.37Å; T51-I55 PolarHBondContact N-O 3.23Å; T51-I55 WeakPolarHBondContact OG1-CB 3.47Å; T51-I55 PolarHBondContact OG1-N 3.39Å; T51-I55 VanDerWaalsContact OG1-N 3.17Å; T51-I57 HydrophobicContact CG2-CD1 3.77Å; T51-I57 HydrophobicContact CG2-CG1 4.14Å; T51-H70 HydrophobicContact CG2-CB 3.68Å; T51-L74 HydrophobicContact CG2-CD2 4.37Å
52	N	86.5	Confident	87.6	Confident	64 Å²	64	51.7 Å²	51.7	34%	0.342	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.3	170.6	-76.2	-31.7	0	0	0	112.8	G54 E73 R75	N52-G54 PolarHBondContact O-N 2.83Å; N52-E73 WeakPolarHBondContact ND2-CB 3.49Å; N52-R75 PolarHBondContact OD1-NE 2.72Å; N52-R75 PolarHBondContact OD1-NH2 3.34Å; N52-R75 VanDerWaalsContact OD1-NH2 3.15Å
53	D	84.9	Confident	88.1	Confident	138 Å²	138	50.1 Å²	50.1	74%	0.738	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	2.8	177.1	-48.4	-82.7	0	0	0	113.9	T51 I55	T51-D53 PolarHBondContact O-N 3.43Å; T51-D53 PolarHBondContact OG1-N 2.81Å; D53-I55 VanDerWaalsContact C-N 3.33Å; D53-I55 HydrophobicContact CB-CD1 4.17Å; D53-I55 HydrophobicContact CB-CG1 4.19Å
54	G	84.4	Confident	88.5	Confident	42 Å²	42	46.5 Å²	46.5	43%	0.433	31%	0.308	S	S	.	.			trans	77.8	15	-178.3	0	0	0	0	0	114.5	T51 N52	T51-G54 PolarHBondContact O-N 2.88Å; N52-G54 PolarHBondContact O-N 2.83Å
55	I	87.9	Confident	89	Confident	92 Å²	92	48 Å²	48	47%	0.472	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-80.2	123.5	178.3	-56.3	168.5	0	0	0	109	I50 T51 D53	I50-I55 CarbonylContact C-O 3.53Å; I50-I55 WeakPolarHBondContact CA-O 3.25Å; T51-I55 HydrophobicContact CG2-CB 4.37Å; T51-I55 PolarHBondContact N-O 3.23Å; T51-I55 WeakPolarHBondContact OG1-CB 3.47Å; T51-I55 PolarHBondContact OG1-N 3.39Å; T51-I55 VanDerWaalsContact OG1-N 3.17Å; D53-I55 VanDerWaalsContact C-N 3.33Å; D53-I55 HydrophobicContact CB-CD1 4.17Å; D53-I55 HydrophobicContact CB-CG1 4.19Å
56	G	89.4	Confident	89.6	Confident	57 Å²	57	43.6 Å²	43.6	59%	0.588	28%	0.276	S	S	*	.	B	Isolated β-bridge	trans	-68.1	130.8	175.5	0	0	0	0	0	112.5
57	I	90.4	Very high	90.1	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.067	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-100.2	126.7	177.6	-63.3	175.1	0	0	0	109.2	F29 I49 T51 P59 V66 H70 L74	F29-I57 HydrophobicContact CD1-CG2 4.48Å; F29-I57 HydrophobicContact CE1-CG2 4.33Å; I49-I57 HydrophobicContact CG2-CB 4.48Å; I49-I57 HydrophobicContact CG2-CD1 4.1Å; I49-I57 PolarHBondContact O-N 3.35Å; T51-I57 HydrophobicContact CG2-CD1 3.77Å; T51-I57 HydrophobicContact CG2-CG1 4.14Å; I57-P59 WeakPolarHBondContact O-CD 3.09Å; I57-V66 HydrophobicContact CD1-CG1 4.03Å; I57-V66 HydrophobicContact CG2-CG1 4.18Å; I57-V66 HydrophobicContact CG2-CG2 4.05Å; I57-H70 HydrophobicContact CD1-CB 3.88Å; I57-L74 HydrophobicContact CD1-CD1 4.43Å; I57-L74 HydrophobicContact CD1-CD2 3.37Å
58	N	88.4	Confident	90.4	Very high	105 Å²	105	49.9 Å²	49.9	56%	0.561	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-73.4	119.3	168.7	-177.5	3.7	0	0	0	109.3	A60 Q61	N58-A60 PolarHBondContact O-N 3.48Å; N58-A60 WeakPolarHBondContact OD1-CB 3.46Å; N58-A60 PolarHBondContact OD1-N 2.93Å; N58-Q61 WeakPolarHBondContact O-CG 3.44Å; N58-Q61 PolarHBondContact O-NE2 3.46Å
59	P	86.6	Confident	90.5	Very high	39 Å²	39	56 Å²	56	25%	0.253	33%	0.326	S	S	.	.	S	Bend	trans	-74.5	-9.4	-179.3	32.1	-37.2	0	0	0	113.7	F29 T30 L33 I57 Q61	F29-P59 HydrophobicContact CD1-CB 4.16Å; T30-P59 HydrophobicContact CG2-CB 3.97Å; T30-P59 HydrophobicContact CG2-CG 4.43Å; T30-P59 WeakPolarHBondContact CG2-O 3.06Å; T30-P59 PolarHBondContact N-O 3.36Å; L33-P59 HydrophobicContact CD2-CB 4.08Å; L33-P59 HydrophobicContact CD2-CG 4.2Å; I57-P59 WeakPolarHBondContact O-CD 3.09Å; P59-Q61 PolarHBondContact O-N 2.92Å
60	A	89.7	Confident	90.6	Very high	78 Å²	78	58.4 Å²	58.4	65%	0.645	34%	0.337	S	S	*	.	S	Bend	trans	-74.4	50.4	176.5	0	0	0	0	0	113	N58	N58-A60 PolarHBondContact O-N 3.48Å; N58-A60 WeakPolarHBondContact OD1-CB 3.46Å; N58-A60 PolarHBondContact OD1-N 2.93Å
61	Q	92.8	Very high	90.6	Very high	40 Å²	40	58.9 Å²	58.9	19%	0.187	35%	0.346	C	S	.	.	S	Bend	trans	-151.8	174.3	175.6	65.1	-173.4	-46.3	0	0	110.2	F29 N58 P59 V66	F29-Q61 WeakPolarHBondContact CB-O 3.43Å; F29-Q61 PolarHBondContact N-O 3.19Å; N58-Q61 WeakPolarHBondContact O-CG 3.44Å; N58-Q61 PolarHBondContact O-NE2 3.46Å; P59-Q61 PolarHBondContact O-N 2.92Å; Q61-V66 HydrophobicContact CG-CG2 3.54Å
62	T	94.9	Very high	90.8	Very high	53 Å²	53	61 Å²	61	33%	0.325	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-80.4	154.1	178.4	55.8	0	0	0	0	112	G64 N65 V66	T62-G64 VanDerWaalsContact C-N 3.3Å; T62-G64 PolarHBondContact O-N 2.85Å; T62-N65 PolarHBondContact O-N 2.91Å; T62-V66 PolarHBondContact O-N 3.33Å
63	A	94.1	Very high	91.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-55.1	-43.8	174.2	0	0	0	0	0	112	V4 F6 V23 T27 N65 V66 F67	V4-A63 HydrophobicContact CG2-CB 3.82Å; F6-A63 HydrophobicContact CE2-CB 3.86Å; F6-A63 HydrophobicContact CZ-CB 4.12Å; F6-A63 WeakPolarHBondContact CZ-O 3.32Å; V23-A63 HydrophobicContact CG2-CB 3.94Å; T27-A63 WeakPolarHBondContact O-CB 3.43Å; T27-A63 PolarHBondContact O-N 3.42Å; A63-N65 VanDerWaalsContact C-N 3.34Å; A63-N65 PolarHBondContact O-N 3.15Å; A63-V66 PolarHBondContact O-N 3.05Å; A63-F67 WeakPolarHBondContact O-CB 3.43Å; A63-F67 PolarHBondContact O-N 3.24Å
64	G	94.5	Very high	91.6	Very high	6 Å²	6	55.6 Å²	55.6	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-56.8	-44.9	177.3	0	0	0	0	0	113	E25 T62 V66 F67 L68	E25-G64 PolarHBondContact O-N 3.07Å; T62-G64 VanDerWaalsContact C-N 3.3Å; T62-G64 PolarHBondContact O-N 2.85Å; G64-V66 PolarHBondContact O-N 2.99Å; G64-F67 PolarHBondContact O-N 3.39Å; G64-L68 VanDerWaalsContact O-CG 3.32Å; G64-L68 WeakPolarHBondContact O-CG 3.37Å; G64-L68 PolarHBondContact O-N 3.35Å
65	N	93.5	Very high	92	Very high	76 Å²	76	57.5 Å²	57.5	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-39.1	178.5	-84.8	-2.4	0	0	0	112.8	T62 A63 K69	T62-N65 PolarHBondContact O-N 2.91Å; A63-N65 VanDerWaalsContact C-N 3.34Å; A63-N65 PolarHBondContact O-N 3.15Å; N65-K69 WeakPolarHBondContact O-CB 3.45Å; N65-K69 WeakPolarHBondContact O-CG 3.49Å; N65-K69 PolarHBondContact O-N 3.28Å; N65-K69 VanDerWaalsContact O-N 3.11Å
66	V	93.3	Very high	92.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-47.3	175.2	176.9	0	0	0	0	110.2	F6 F29 I57 Q61 T62 A63 G64 L68 K69 H70 L74	F6-V66 HydrophobicContact CE1-CB 4.46Å; F6-V66 HydrophobicContact CE1-CG1 4.13Å; F6-V66 HydrophobicContact CZ-CB 4.49Å; F29-V66 HydrophobicContact CB-CG2 4Å; F29-V66 HydrophobicContact CD1-CG2 4.1Å; F29-V66 HydrophobicContact CD2-CB 4.03Å; F29-V66 HydrophobicContact CD2-CG1 4.14Å; F29-V66 HydrophobicContact CD2-CG2 3.79Å; F29-V66 HydrophobicContact CE2-CB 4.24Å; F29-V66 HydrophobicContact CE2-CG1 3.86Å; F29-V66 HydrophobicContact CE2-CG2 4.33Å; F29-V66 HydrophobicContact CG-CB 4.42Å; F29-V66 HydrophobicContact CG-CG2 3.68Å; F29-V66 HydrophobicContact CZ-CG1 4.09Å; I57-V66 HydrophobicContact CD1-CG1 4.03Å; I57-V66 HydrophobicContact CG2-CG1 4.18Å; I57-V66 HydrophobicContact CG2-CG2 4.05Å; Q61-V66 HydrophobicContact CG-CG2 3.54Å; T62-V66 PolarHBondContact O-N 3.33Å; A63-V66 PolarHBondContact O-N 3.05Å; G64-V66 PolarHBondContact O-N 2.99Å; V66-L68 VanDerWaalsContact C-N 3.34Å; V66-L68 PolarHBondContact O-N 2.77Å; V66-K69 PolarHBondContact O-N 3.08Å; V66-H70 HydrophobicContact CG1-CB 4.43Å; V66-H70 WeakPolarHBondContact O-CB 3.45Å; V66-H70 PolarHBondContact O-N 3.39Å; V66-L74 HydrophobicContact CG1-CD1 4.01Å
67	F	92.8	Very high	92.1	Very high	69 Å²	69	51.6 Å²	51.6	30%	0.303	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-42.8	-179.2	-173.2	-90.4	0	0	0	112.3	V4 T5 F6 A63 G64 G71	V4-F67 HydrophobicContact CB-CB 4.04Å; V4-F67 HydrophobicContact CB-CD2 3.77Å; V4-F67 HydrophobicContact CB-CE2 4.32Å; V4-F67 HydrophobicContact CB-CG 3.88Å; V4-F67 HydrophobicContact CG1-CB 3.71Å; V4-F67 HydrophobicContact CG1-CD1 3.73Å; V4-F67 HydrophobicContact CG1-CD2 3.88Å; V4-F67 HydrophobicContact CG1-CE1 4.3Å; V4-F67 HydrophobicContact CG1-CE2 4.39Å; V4-F67 HydrophobicContact CG1-CG 3.49Å; V4-F67 VanDerWaalsContact CG1-CG 3.49Å; T5-F67 WeakPolarHBondContact O-CE2 3.38Å; F6-F67 HydrophobicContact CD1-CD2 4.46Å; F6-F67 HydrophobicContact CE1-CB 3.88Å; F6-F67 AromaticContact CE1-CD2 3.97Å; F6-F67 HydrophobicContact CE1-CD2 3.97Å; F6-F67 HydrophobicContact CE1-CG 4.44Å; F6-F67 HydrophobicContact CZ-CB 3.89Å; F6-F67 HydrophobicContact CZ-CD2 4.35Å; A63-F67 WeakPolarHBondContact O-CB 3.43Å; A63-F67 PolarHBondContact O-N 3.24Å; G64-F67 PolarHBondContact O-N 3.39Å; F67-G71 WeakPolarHBondContact O-CA 3.44Å; F67-G71 PolarHBondContact O-N 3.3Å
68	L	93.1	Very high	91.7	Very high	131 Å²	131	52.2 Å²	52.2	69%	0.686	28%	0.284	S	S	*	.	H	α-helix	trans	-68.7	-35	179.1	-70.1	170.2	0	0	0	113.1	G64 V66	G64-L68 VanDerWaalsContact O-CG 3.32Å; G64-L68 WeakPolarHBondContact O-CG 3.37Å; G64-L68 PolarHBondContact O-N 3.35Å; V66-L68 VanDerWaalsContact C-N 3.34Å; V66-L68 PolarHBondContact O-N 2.77Å
69	K	91.6	Very high	90.8	Very high	145 Å²	145	54.4 Å²	54.4	63%	0.63	29%	0.285	S	S	*	.	H	α-helix	trans	-85.6	-37.8	-177.6	-71.9	178.6	178.3	-179.5	0	113.8	N65 V66	N65-K69 WeakPolarHBondContact O-CB 3.45Å; N65-K69 WeakPolarHBondContact O-CG 3.49Å; N65-K69 PolarHBondContact O-N 3.28Å; N65-K69 VanDerWaalsContact O-N 3.11Å; V66-K69 PolarHBondContact O-N 3.08Å
70	H	91	Very high	89.6	Confident	55 Å²	55	59.1 Å²	59.1	26%	0.255	31%	0.308	S	S	.	.	H	α-helix	trans	-120.1	-12.8	-166.8	-58.1	-65.9	0	0	0	113	T51 I57 V66 L74	T51-H70 HydrophobicContact CG2-CB 3.68Å; I57-H70 HydrophobicContact CD1-CB 3.88Å; V66-H70 HydrophobicContact CG1-CB 4.43Å; V66-H70 WeakPolarHBondContact O-CB 3.45Å; V66-H70 PolarHBondContact O-N 3.39Å; H70-L74 HydrophobicContact CB-CD2 4.3Å
71	G	92.3	Very high	87.8	Confident	28 Å²	28	65 Å²	65	29%	0.289	31%	0.313	S	S	.	.			trans	85	-165.6	-177	0	0	0	0	0	113.8	F67	F67-G71 WeakPolarHBondContact O-CA 3.44Å; F67-G71 PolarHBondContact O-N 3.3Å
72	S	94.3	Very high	85.7	Confident	50 Å²	50	67.3 Å²	67.3	35%	0.35	33%	0.33	S	S	.	.	S	Bend	trans	-87.6	-22.4	-177.7	52.3	0	0	0	0	113.6	T5 F6 K7	T5-S72 WeakPolarHBondContact O-CB 3.49Å; F6-S72 CarbonylContact C-O 3.5Å; F6-S72 VanDerWaalsContact CA-O 3.27Å; F6-S72 WeakPolarHBondContact CA-O 3.48Å; K7-S72 PolarHBondContact N-O 3.47Å
73	E	94.7	Very high	83.3	Confident	87 Å²	87	68.1 Å²	68.1	41%	0.407	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.5	-171.1	-65.7	-167.2	100.2	0	0	112.1	K7 N52	K7-E73 IonicContact NZ-OE1 2.77Å; K7-E73 PolarHBondContact NZ-OE1 3.35Å; N52-E73 WeakPolarHBondContact ND2-CB 3.49Å
74	L	94.1	Very high	80.7	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.1	-174	-58.5	-178.5	0	0	0	110.5	F6 K7 I8 T9 F29 I49 T51 I57 V66 H70	F6-L74 HydrophobicContact CD1-CD1 3.57Å; F6-L74 HydrophobicContact CD1-CG 4.26Å; F6-L74 HydrophobicContact CE1-CD1 4.06Å; F6-L74 HydrophobicContact CG-CD1 4.28Å; K7-L74 PolarHBondContact O-N 3.5Å; I8-L74 CarbonylContact C-O 3.56Å; I8-L74 WeakPolarHBondContact CA-O 3.47Å; I8-L74 HydrophobicContact CG1-CB 4.33Å; T9-L74 PolarHBondContact N-O 3.01Å; F29-L74 HydrophobicContact CE1-CD1 4.46Å; F29-L74 HydrophobicContact CE2-CD1 3.77Å; F29-L74 HydrophobicContact CZ-CD1 3.38Å; I49-L74 HydrophobicContact CG2-CB 3.95Å; I49-L74 HydrophobicContact CG2-CD1 4.06Å; I49-L74 HydrophobicContact CG2-CD2 4.48Å; I49-L74 HydrophobicContact CG2-CG 4.41Å; T51-L74 HydrophobicContact CG2-CD2 4.37Å; I57-L74 HydrophobicContact CD1-CD1 4.43Å; I57-L74 HydrophobicContact CD1-CD2 3.37Å; V66-L74 HydrophobicContact CG1-CD1 4.01Å; H70-L74 HydrophobicContact CB-CD2 4.3Å
75	R	92.9	Very high	78.6	Confident	82 Å²	82	80.8 Å²	80.8	31%	0.309	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.8	-179.5	-66.5	178.1	-177	-154.9	1.6	109.4	T9 T11 I49 I50 N52	T9-R75 CarbonylContact O-C 3.5Å; T9-R75 VanDerWaalsContact O-CA 3.29Å; T9-R75 WeakPolarHBondContact O-CA 3.46Å; T11-R75 HydrophobicContact CG2-CB 3.77Å; T11-R75 HydrophobicContact CG2-CG 3.93Å; I49-R75 CarbonylContact C-O 3.6Å; I49-R75 VanDerWaalsContact CA-O 3.32Å; I49-R75 WeakPolarHBondContact CA-O 3.43Å; I50-R75 HydrophobicContact CD1-CB 4.37Å; I50-R75 HydrophobicContact CG1-CB 3.72Å; I50-R75 PolarHBondContact N-O 3.16Å; I50-R75 PolarHBondContact O-N 3.18Å; N52-R75 PolarHBondContact OD1-NE 2.72Å; N52-R75 PolarHBondContact OD1-NH2 3.34Å; N52-R75 VanDerWaalsContact OD1-NH2 3.15Å
76	I	90.9	Very high	76.2	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.6	174.2	-169.4	170.7	0	0	0	109.5	I8 T9 L10 T11 L33 A36 A37 F40 V42 A48 I49	I8-I76 HydrophobicContact CG2-CB 3.88Å; I8-I76 HydrophobicContact CG2-CG2 3.89Å; T9-I76 PolarHBondContact O-N 3.42Å; L10-I76 HydrophobicContact CB-CG2 4.03Å; L10-I76 HydrophobicContact CD1-CG2 3.74Å; T11-I76 PolarHBondContact N-O 2.98Å; T11-I76 PolarHBondContact OG1-O 3.47Å; L33-I76 HydrophobicContact CD1-CD1 3.91Å; L33-I76 HydrophobicContact CD1-CG1 4.42Å; A36-I76 HydrophobicContact CB-CD1 4.47Å; A37-I76 HydrophobicContact CB-CD1 4.08Å; F40-I76 HydrophobicContact CD2-CG2 3.8Å; F40-I76 HydrophobicContact CE2-CG2 3.9Å; V42-I76 HydrophobicContact CG2-CD1 4.34Å; A48-I76 WeakPolarHBondContact O-CA 3.49Å; I49-I76 HydrophobicContact CD1-CB 3.63Å; I49-I76 HydrophobicContact CD1-CD1 4.19Å; I49-I76 HydrophobicContact CD1-CG1 3.83Å
77	I	88.7	Confident	73.7	Confident	25 Å²	25	87.8 Å²	87.8	13%	0.128	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.8	176.6	53.6	164.3	0	0	0	109.8	T11 S47 A48 I50 R79 V82	T11-I77 WeakPolarHBondContact OG1-CG2 3.4Å; S47-I77 CarbonylContact C-O 3.52Å; S47-I77 WeakPolarHBondContact CA-O 3.4Å; A48-I77 HydrophobicContact CB-CD1 4.34Å; A48-I77 HydrophobicContact CB-CG1 4Å; A48-I77 PolarHBondContact N-O 2.95Å; A48-I77 WeakPolarHBondContact O-CG1 3.35Å; A48-I77 PolarHBondContact O-N 3.25Å; I50-I77 HydrophobicContact CD1-CD1 4.43Å; I50-I77 HydrophobicContact CD1-CG2 3.79Å; I50-I77 HydrophobicContact CG1-CG2 4.37Å; I50-I77 HydrophobicContact CG2-CD1 3.69Å; I50-I77 HydrophobicContact CG2-CG1 4.04Å; I77-R79 PolarHBondContact O-N 3.16Å; I77-V82 HydrophobicContact CD1-CG2 3.88Å
78	P	82.1	Confident	71.3	Confident	26 Å²	26	89.5 Å²	89.5	17%	0.169	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	122.4	164.4	27.4	-30.4	0	0	0	109.8	T46 D80 R81	T46-P78 CarbonylContact O-C 3.47Å; T46-P78 WeakPolarHBondContact O-CA 3.18Å; P78-D80 PolarHBondContact O-N 2.62Å; P78-D80 VanDerWaalsContact O-N 3.16Å; P78-R81 PolarHBondContact O-N 3.18Å
79	R	68.6	Low	69.2	Low	151 Å²	151	91.5 Å²	91.5	57%	0.57	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-57.1	-17.4	171.5	-72.7	-165.6	144.5	-171.7	-4.1	114.3	T46 A48 I77 R81 V82	T46-R79 WeakPolarHBondContact O-CA 3.39Å; T46-R79 WeakPolarHBondContact O-CB 3.36Å; T46-R79 PolarHBondContact O-N 3.22Å; A48-R79 HydrophobicContact CB-CG 3.79Å; I77-R79 PolarHBondContact O-N 3.16Å; R79-R81 PolarHBondContact O-N 3.41Å; R79-R81 VanDerWaalsContact O-N 3.16Å; R79-V82 HydrophobicContact CB-CG1 3.96Å; R79-V82 HydrophobicContact CG-CG1 3.92Å; R79-V82 WeakPolarHBondContact O-CA 3.44Å; R79-V82 PolarHBondContact O-N 3.31Å
80	D	61.5	Low	66.9	Low	139 Å²	139	89.3 Å²	89.3	74%	0.743	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-54.9	-29.4	172.3	-168.2	-110.5	0	0	0	112.1	P78	P78-D80 PolarHBondContact O-N 2.62Å; P78-D80 VanDerWaalsContact O-N 3.16Å
81	R	52.4	Low	65	Low	200 Å²	200	92.1 Å²	92.1	76%	0.755	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-97.2	6.7	173.5	-61.8	-169.7	179.3	177.4	0.6	114.7	P78 R79	P78-R81 PolarHBondContact O-N 3.18Å; R79-R81 PolarHBondContact O-N 3.41Å; R79-R81 VanDerWaalsContact O-N 3.16Å
82	V	47.8	Very low	62.5	Low	89 Å²	89	95.6 Å²	95.6	54%	0.539	54%	0.544	S	S	.	.	S	Bend	trans	-110.1	4.8	-175.6	114.1	0	0	0	0	112.6	I77 R79	I77-V82 HydrophobicContact CD1-CG2 3.88Å; R79-V82 HydrophobicContact CB-CG1 3.96Å; R79-V82 HydrophobicContact CG-CG1 3.92Å; R79-V82 WeakPolarHBondContact O-CA 3.44Å; R79-V82 PolarHBondContact O-N 3.31Å
83	G	45.3	Very low	60.1	Low	71 Å²	71	101.9 Å²	101.9	73%	0.732	57%	0.57	S	S	*	*	S	Bend	trans	-155.5	55.7	-177.2	0	0	0	0	0	114
84	G	40.3	Very low	57.3	Low	57 Å²	57	105.4 Å²	105.4	59%	0.588	61%	0.614	S	S	*	*			trans	-117.6	122.2	160.8	0	0	0	0	0	108.8	G86	G84-G86 PolarHBondContact O-N 3.33Å; G84-G86 VanDerWaalsContact O-N 3.07Å
85	Q	49.1	Very low	55.4	Low	214 Å²	214	110.7 Å²	110.7	100%	1	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.4	115.6	158.5	-80.7	166.5	51.6	0	0	107.4
86	G	42.9	Very low	53.5	Low	71 Å²	71	112.2 Å²	112.2	73%	0.732	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.2	-19.6	163.5	0	0	0	0	0	118.4	G84	G84-G86 PolarHBondContact O-N 3.33Å; G84-G86 VanDerWaalsContact O-N 3.07Å
87	D	41	Very low	51.4	Low	153 Å²	153	118.4 Å²	118.4	82%	0.818	70%	0.699	S	S	*	*			trans	-129.8	116.1	177.9	-98.9	-87	0	0	0	111.4
88	C	41.8	Very low	49.2	Very low	104 Å²	104	123.9 Å²	123.9	70%	0.703	73%	0.733	S	S	*	*			trans	-41.6	140.3	167.8	-55.8	0	0	0	0	109.7	S90	C88-S90 PolarHBondContact O-N 3.31Å
89	I	49	Very low	47.1	Very low	173 Å²	173	130 Å²	130	89%	0.887	77%	0.768	S	S	*	*			trans	-49.6	68.1	158.6	49.7	134.6	0	0	0	112	L91	I89-L91 PolarHBondContact O-N 2.89Å
90	S	45.3	Very low	45.7	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	78%	0.782	S	S	*	*			trans	-77.8	68	154.3	-58.2	0	0	0	0	105.6	C88 S92	C88-S90 PolarHBondContact O-N 3.31Å; S90-S92 PolarHBondContact O-N 3.06Å
91	L	49.2	Very low	44.6	Very low	115 Å²	115	127.9 Å²	127.9	60%	0.602	78%	0.784	S	S	*	*			trans	-69.4	67.8	144.9	-157.9	81.9	0	0	0	105.1	I89 M93	I89-L91 PolarHBondContact O-N 2.89Å; L91-M93 VanDerWaalsContact C-N 3.33Å; L91-M93 PolarHBondContact O-N 2.99Å
92	S	40.6	Very low	44	Very low	100 Å²	100	122.3 Å²	122.3	70%	0.699	79%	0.787	S	S	*	*			trans	-61.9	108.4	169.2	-167.8	0	0	0	0	104.1	S90 A94	S90-S92 PolarHBondContact O-N 3.06Å; S92-A94 VanDerWaalsContact C-N 3.34Å; S92-A94 PolarHBondContact O-N 3.3Å
93	M	44	Very low	43.6	Very low	183 Å²	183	125.1 Å²	125.1	90%	0.901	81%	0.807	S	S	*	*			trans	-46	107.7	155.3	-62.4	165.4	80.2	0	0	106	L91	L91-M93 VanDerWaalsContact C-N 3.33Å; L91-M93 PolarHBondContact O-N 2.99Å
94	A	35.3	Very low	43.5	Very low	161 Å²	161	130 Å²	130	100%	1.331	81%	0.814	S	S	*	*			trans	-110.9	0	151.3	0	0	0	0	0	105.6	S92	S92-A94 VanDerWaalsContact C-N 3.34Å; S92-A94 PolarHBondContact O-N 3.3Å

Retrieved 94 of 94 residues in 406.9 ms (Link to these results)

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