I3NGE6_ICTTR Loading...

Small ubiquitin-related modifier

Ubiquitin-like protein which can be covalently attached to target lysines either as a monomer or as a lysine-linked polymer. Does not seem to be involved in protein degradation and may function as an antagonist of ubiquitin in the degradation process. Plays a role in a number of cellular processes such as nuclear transport, DNA replication and repair, mitosis and signal transduction. Covalent attachment to its substrates requires prior activation by the E1 complex SAE1-SAE2 and linkage to the E2 enzyme UBE2I, and can be promoted by an E3 ligase such as PIAS1-4, RANBP2 or CBX4. Plays a role in the regulation of sumoylation status of SETX.

AlphaFold DB , UniProt , Accession I3NGE6, Species ICTTR (Ictidomys tridecemlineatus, Thirteen-lined ground squirrel), Gene Sumo2, Length 88 aa.

						>I3NGE6_ICTTR|I3NGE6|Sumo2
EGVKTENNDHINLKVAGQDGSVVQFKIKRHTPLSKLMKAYCERQGLSMRQIRFRFDGQPINETDTPAQLEMEDEDTIDVFQQQTGGVY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	38.7	Very low	60.3	Low	245 Å²	245	115.5 Å²	115.5	100%	1.145	62%	0.621	S	S	*	*				0	118.6	0	-63.2	-175.1	95.8	0	0	108.3	V3	E1-V3 PolarHBondContact O-N 3.06Å
2	G	45.5	Very low	63.2	Low	75 Å²	75	111.1 Å²	111.1	77%	0.773	60%	0.598	S	S	*	*			trans	-76	102.3	-174.5	0	0	0	0	0	110	K4	G2-K4 VanDerWaalsContact C-N 3.26Å; G2-K4 PolarHBondContact O-N 3.44Å
3	V	48.7	Very low	65.6	Low	134 Å²	134	102.6 Å²	102.6	81%	0.812	55%	0.552	S	S	*	*			trans	-60.1	93.9	166.1	-92.3	0	0	0	0	108.3	E1 T5	E1-V3 PolarHBondContact O-N 3.06Å; V3-T5 PolarHBondContact O-N 3.22Å
4	K	52.7	Low	67.8	Low	196 Å²	196	98.9 Å²	98.9	85%	0.852	53%	0.528	S	S	*	.			trans	-71.3	74.9	159.4	-64.5	168.4	178.4	-78.9	0	105.5	G2 E6	G2-K4 VanDerWaalsContact C-N 3.26Å; G2-K4 PolarHBondContact O-N 3.44Å; K4-E6 PolarHBondContact O-N 2.71Å
5	T	49.1	Very low	69.6	Low	106 Å²	106	92.3 Å²	92.3	65%	0.65	49%	0.493	S	S	*	.			trans	-59.6	112.7	172.6	-52	0	0	0	0	106.4	V3 N7	V3-T5 PolarHBondContact O-N 3.22Å; T5-N7 PolarHBondContact O-N 3.02Å; T5-N7 VanDerWaalsContact O-N 3.1Å; T5-N7 PolarHBondContact O-ND2 3.07Å
6	E	47.4	Very low	71.2	Confident	162 Å²	162	87.7 Å²	87.7	76%	0.757	47%	0.472	S	S	*	.			trans	-44.5	118.2	178.1	-108.6	166.2	65.1	0	0	109.6	K4 N8	K4-E6 PolarHBondContact O-N 2.71Å; E6-N8 PolarHBondContact O-N 3Å
7	N	56.3	Low	72.4	Confident	98 Å²	98	83.2 Å²	83.2	52%	0.524	45%	0.451	S	S	.	.			trans	-77	45.8	-172.2	-89.1	-116.1	0	0	0	111.1	T5 D9 H10	T5-N7 PolarHBondContact O-N 3.02Å; T5-N7 VanDerWaalsContact O-N 3.1Å; T5-N7 PolarHBondContact O-ND2 3.07Å; N7-D9 PolarHBondContact O-N 3.09Å; N7-H10 PolarHBondContact O-N 3.18Å; N7-H10 PolarHBondContact OD1-CE1 3.33Å; N7-H10 PolarHBondContact OD1-ND1 2.79Å; N7-H10 VanDerWaalsContact OD1-ND1 3.11Å
8	N	59	Low	73.2	Confident	135 Å²	135	85 Å²	85	72%	0.722	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.8	-178.8	-98.8	-60	0	0	0	113.9	E6	E6-N8 PolarHBondContact O-N 3Å
9	D	83.3	Confident	73.8	Confident	64 Å²	64	86.2 Å²	86.2	34%	0.342	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.3	177.9	-158.4	-106.3	0	0	0	113.5	N7 K28 R29 H30	N7-D9 PolarHBondContact O-N 3.09Å; D9-K28 CarbonylContact O-C 3.5Å; D9-K28 VanDerWaalsContact O-CA 3.25Å; D9-K28 WeakPolarHBondContact O-CA 3.45Å; D9-K28 WeakPolarHBondContact OD1-CB 3.46Å; D9-R29 WeakPolarHBondContact O-CG 3.21Å; D9-R29 PolarHBondContact O-N 3.38Å; D9-H30 IonicContact OD1-CD2 3.9Å; D9-H30 IonicContact OD2-CD2 3.56Å
10	H	89.4	Confident	74.4	Confident	49 Å²	49	85.1 Å²	85.1	23%	0.227	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	179.7	-57.5	83.1	0	0	0	110.7	N7 K26 I27 K28	N7-H10 PolarHBondContact O-N 3.18Å; N7-H10 PolarHBondContact OD1-CE1 3.33Å; N7-H10 PolarHBondContact OD1-ND1 2.79Å; N7-H10 VanDerWaalsContact OD1-ND1 3.11Å; H10-K26 HydrophobicContact CB-CD 4.36Å; H10-K26 VanDerWaalsContact CB-CE 3.45Å; H10-K26 HydrophobicContact CB-CG 3.95Å; H10-I27 CarbonylContact C-O 3.49Å; H10-I27 VanDerWaalsContact CA-O 3.27Å; H10-I27 WeakPolarHBondContact CA-O 3.43Å; H10-K28 WeakPolarHBondContact CD2-CG 3.4Å; H10-K28 WeakPolarHBondContact NE2-CE 3.29Å; H10-K28 WeakPolarHBondContact NE2-CG 3.44Å
11	I	93.4	Very high	75.1	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.031	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.4	169.9	60.9	169.7	0	0	0	109.4	L13 K26 I27 R29 P66 M71	I11-L13 HydrophobicContact CD1-CD1 4.14Å; I11-L13 HydrophobicContact CD1-CD2 3.76Å; I11-L13 HydrophobicContact CD1-CG 3.95Å; I11-L13 HydrophobicContact CG1-CD2 4.42Å; I11-L13 HydrophobicContact CG1-CG 4.21Å; I11-K26 WeakPolarHBondContact O-CA 3Å; I11-I27 HydrophobicContact CG1-CG2 4.36Å; I11-I27 PolarHBondContact N-O 2.78Å; I11-I27 PolarHBondContact O-N 2.84Å; I11-R29 HydrophobicContact CG1-CG 4.42Å; I11-R29 HydrophobicContact CG2-CG 3.72Å; I11-P66 HydrophobicContact CD1-CB 3.36Å; I11-P66 HydrophobicContact CD1-CG 4Å; I11-P66 HydrophobicContact CG1-CB 4.36Å; I11-M71 HydrophobicContact CD1-CB 4.04Å
12	N	94.4	Very high	77.6	Confident	63 Å²	63	74.8 Å²	74.8	34%	0.337	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121	172.4	-56.6	-76	0	0	0	108.7	F25 D73 E74	N12-F25 CarbonylContact C-O 3.6Å; N12-F25 WeakPolarHBondContact CA-O 3.24Å; N12-D73 WeakPolarHBondContact CB-OD2 3.25Å; N12-D73 PolarHBondContact N-OD2 3.13Å; N12-D73 PolarHBondContact ND2-OD2 3.44Å; N12-E74 VanDerWaalsContact O-CA 3.29Å; N12-E74 WeakPolarHBondContact O-CA 3.39Å; N12-E74 PolarHBondContact O-N 3.28Å
13	L	95.3	Very high	79.9	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.6	176.1	-64.2	175.6	0	0	0	109.7	I11 Q24 F25 I27 L33 L36 P66 M71 D75 I77	I11-L13 HydrophobicContact CD1-CD1 4.14Å; I11-L13 HydrophobicContact CD1-CD2 3.76Å; I11-L13 HydrophobicContact CD1-CG 3.95Å; I11-L13 HydrophobicContact CG1-CD2 4.42Å; I11-L13 HydrophobicContact CG1-CG 4.21Å; L13-Q24 CarbonylContact O-C 3.56Å; L13-Q24 WeakPolarHBondContact O-CA 3.49Å; L13-F25 PolarHBondContact N-O 3.02Å; L13-F25 PolarHBondContact O-N 2.85Å; L13-I27 HydrophobicContact CD1-CG2 3.83Å; L13-I27 HydrophobicContact CG-CG2 4.41Å; L13-L33 HydrophobicContact CD1-CD2 4.04Å; L13-L36 HydrophobicContact CB-CD1 4.24Å; L13-L36 HydrophobicContact CD1-CD1 4.12Å; L13-P66 HydrophobicContact CD1-CG 4.25Å; L13-M71 HydrophobicContact CD1-SD 3.86Å; L13-M71 HydrophobicContact CD2-CB 4.21Å; L13-M71 HydrophobicContact CD2-SD 4.11Å; L13-D75 HydrophobicContact CD2-CB 3.74Å; L13-I77 HydrophobicContact CD1-CD1 4.1Å
14	K	95.8	Very high	82	Confident	50 Å²	50	72.1 Å²	72.1	22%	0.217	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.3	175.7	-59	176.8	-176.9	159.5	0	107.6	V22 Q24 E74 D75 T76 I77	K14-V22 HydrophobicContact CB-CG1 4.05Å; K14-Q24 HydrophobicContact CG-CG 4.18Å; K14-E74 IonicContact NZ-OE1 2.79Å; K14-E74 PolarHBondContact NZ-OE1 2.85Å; K14-D75 PolarHBondContact N-O 3.12Å; K14-T76 HydrophobicContact CB-CG2 4.41Å; K14-T76 CarbonylContact O-C 3.55Å; K14-T76 VanDerWaalsContact O-CA 3.28Å; K14-T76 WeakPolarHBondContact O-CA 3.19Å; K14-I77 PolarHBondContact O-N 3.21Å
15	V	95.2	Very high	84	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.7	177.3	-174.2	0	0	0	0	107.4	V22 V23 F25 L36 Y40 F53 I77 V79	V15-V22 CarbonylContact O-C 3.58Å; V15-V22 WeakPolarHBondContact O-CA 3.48Å; V15-V23 PolarHBondContact N-O 2.8Å; V15-V23 PolarHBondContact O-N 2.84Å; V15-F25 HydrophobicContact CB-CE2 4.43Å; V15-F25 HydrophobicContact CG2-CD2 3.67Å; V15-F25 HydrophobicContact CG2-CE2 3.92Å; V15-L36 HydrophobicContact CG2-CD1 4.26Å; V15-L36 HydrophobicContact CG2-CD2 3.69Å; V15-L36 HydrophobicContact CG2-CG 4.24Å; V15-Y40 HydrophobicContact CB-CD2 3.88Å; V15-Y40 HydrophobicContact CB-CE2 3.98Å; V15-Y40 HydrophobicContact CG1-CD1 4.35Å; V15-Y40 HydrophobicContact CG1-CD2 3.45Å; V15-Y40 VanDerWaalsContact CG1-CD2 3.45Å; V15-Y40 HydrophobicContact CG1-CE1 4.39Å; V15-Y40 HydrophobicContact CG1-CE2 3.47Å; V15-Y40 VanDerWaalsContact CG1-CE2 3.47Å; V15-Y40 HydrophobicContact CG1-CG 3.9Å; V15-F53 HydrophobicContact CG1-CD1 4.44Å; V15-F53 HydrophobicContact CG1-CE1 4.16Å; V15-I77 CarbonylContact C-O 3.53Å; V15-I77 WeakPolarHBondContact CA-O 3.34Å; V15-I77 HydrophobicContact CG2-CB 4.46Å; V15-V79 HydrophobicContact CG1-CG2 3.3Å
16	A	94.4	Very high	86.1	Confident	19 Å²	19	65 Å²	65	16%	0.157	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.5	-176.4	0	0	0	0	0	110.7	S21 V22 T76 I77 V79	A16-S21 CarbonylContact C-O 3.59Å; A16-S21 WeakPolarHBondContact CA-O 3.42Å; A16-V22 HydrophobicContact CB-CG2 4.33Å; A16-T76 HydrophobicContact CB-CG2 3.84Å; A16-I77 PolarHBondContact N-O 2.81Å; A16-V79 PolarHBondContact O-N 2.83Å
17	G	91.8	Very high	88.3	Confident	11 Å²	11	58.1 Å²	58.1	11%	0.113	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	158.4	172	0	0	0	0	0	112.5	D19 G20 S21 Y40	G17-D19 PolarHBondContact O-N 3.44Å; G17-G20 PolarHBondContact O-N 3.06Å; G17-S21 PolarHBondContact N-O 2.85Å; G17-Y40 WeakPolarHBondContact CA-OH 3.49Å
18	Q	87.3	Confident	89.9	Confident	116 Å²	116	58.2 Å²	58.2	54%	0.542	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.6	176.4	-59.5	-174.3	-79.8	0	0	113.7	G20 V79 F80	Q18-G20 PolarHBondContact O-N 3.19Å; Q18-V79 VanDerWaalsContact CG-O 3.24Å; Q18-V79 WeakPolarHBondContact CG-O 3.34Å; Q18-F80 HydrophobicContact CG-CD1 4.36Å
19	D	84.4	Confident	91.5	Very high	108 Å²	108	55.5 Å²	55.5	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.7	176.1	62.4	-79.6	0	0	0	113.2	G17 S21	G17-D19 PolarHBondContact O-N 3.44Å; D19-S21 VanDerWaalsContact CG-OG 3.22Å; D19-S21 PolarHBondContact OD1-OG 2.96Å; D19-S21 WeakPolarHBondContact OD2-CB 3.4Å; D19-S21 PolarHBondContact OD2-N 2.72Å; D19-S21 VanDerWaalsContact OD2-N 3.07Å; D19-S21 PolarHBondContact OD2-OG 3.42Å
20	G	86	Confident	91.8	Very high	63 Å²	63	58.6 Å²	58.6	65%	0.649	31%	0.305	S	S	*	.	S	Bend	trans	87.9	-0.8	-176.9	0	0	0	0	0	114.1	G17 Q18	G17-G20 PolarHBondContact O-N 3.06Å; Q18-G20 PolarHBondContact O-N 3.19Å
21	S	88.5	Confident	91.9	Very high	29 Å²	29	57.7 Å²	57.7	20%	0.203	30%	0.303	C	S	.	.			trans	-64.6	138.4	169.8	55.6	0	0	0	0	111.6	A16 G17 D19 Q44	A16-S21 CarbonylContact C-O 3.59Å; A16-S21 WeakPolarHBondContact CA-O 3.42Å; G17-S21 PolarHBondContact N-O 2.85Å; D19-S21 VanDerWaalsContact CG-OG 3.22Å; D19-S21 PolarHBondContact OD1-OG 2.96Å; D19-S21 WeakPolarHBondContact OD2-CB 3.4Å; D19-S21 PolarHBondContact OD2-N 2.72Å; D19-S21 VanDerWaalsContact OD2-N 3.07Å; D19-S21 PolarHBondContact OD2-OG 3.42Å; S21-Q44 PolarHBondContact OG-NE2 2.94Å
22	V	92.1	Very high	92	Very high	86 Å²	86	60 Å²	60	52%	0.521	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.6	175	-178.3	0	0	0	0	108.9	K14 V15 A16	K14-V22 HydrophobicContact CB-CG1 4.05Å; V15-V22 CarbonylContact O-C 3.58Å; V15-V22 WeakPolarHBondContact O-CA 3.48Å; A16-V22 HydrophobicContact CB-CG2 4.33Å
23	V	93	Very high	92	Very high	21 Å²	21	57.1 Å²	57.1	13%	0.127	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.3	178.6	-173.8	0	0	0	0	109.2	V15 F25 Y40	V15-V23 PolarHBondContact N-O 2.8Å; V15-V23 PolarHBondContact O-N 2.84Å; V23-F25 HydrophobicContact CB-CE2 3.93Å; V23-F25 HydrophobicContact CG1-CD2 4.09Å; V23-F25 HydrophobicContact CG1-CE2 3.38Å; V23-F25 HydrophobicContact CG1-CZ 3.73Å; V23-Y40 HydrophobicContact CB-CD2 4.03Å; V23-Y40 HydrophobicContact CB-CE2 4.08Å; V23-Y40 HydrophobicContact CG2-CD2 4.03Å; V23-Y40 HydrophobicContact CG2-CE2 3.75Å
24	Q	94.1	Very high	92	Very high	131 Å²	131	58.3 Å²	58.3	61%	0.612	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.9	179	-60.9	-174.7	-13.6	0	0	111.3	L13 K14	L13-Q24 CarbonylContact O-C 3.56Å; L13-Q24 WeakPolarHBondContact O-CA 3.49Å; K14-Q24 HydrophobicContact CG-CG 4.18Å
25	F	94	Very high	91.8	Very high	25 Å²	25	63 Å²	63	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.4	176.4	-71.2	-88.3	0	0	0	110.5	N12 L13 V15 V23 L36 A39 Y40	N12-F25 CarbonylContact C-O 3.6Å; N12-F25 WeakPolarHBondContact CA-O 3.24Å; L13-F25 PolarHBondContact N-O 3.02Å; L13-F25 PolarHBondContact O-N 2.85Å; V15-F25 HydrophobicContact CB-CE2 4.43Å; V15-F25 HydrophobicContact CG2-CD2 3.67Å; V15-F25 HydrophobicContact CG2-CE2 3.92Å; V23-F25 HydrophobicContact CB-CE2 3.93Å; V23-F25 HydrophobicContact CG1-CD2 4.09Å; V23-F25 HydrophobicContact CG1-CE2 3.38Å; V23-F25 HydrophobicContact CG1-CZ 3.73Å; F25-L36 HydrophobicContact CB-CD1 3.67Å; F25-L36 HydrophobicContact CB-CG 4.12Å; F25-L36 HydrophobicContact CD1-CG 4.34Å; F25-L36 HydrophobicContact CD2-CD1 4.09Å; F25-L36 HydrophobicContact CD2-CG 3.86Å; F25-L36 HydrophobicContact CE2-CG 4.33Å; F25-L36 HydrophobicContact CG-CD1 3.95Å; F25-L36 HydrophobicContact CG-CG 3.85Å; F25-A39 HydrophobicContact CE1-CB 3.69Å; F25-A39 HydrophobicContact CZ-CB 4.16Å; F25-Y40 HydrophobicContact CE2-CD2 4.18Å
26	K	93.1	Very high	91.7	Very high	129 Å²	129	63.2 Å²	63.2	56%	0.561	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.6	168.9	-173.8	173	-176.5	171.3	0	109.1	H10 I11	H10-K26 HydrophobicContact CB-CD 4.36Å; H10-K26 VanDerWaalsContact CB-CE 3.45Å; H10-K26 HydrophobicContact CB-CG 3.95Å; I11-K26 WeakPolarHBondContact O-CA 3Å
27	I	92.8	Very high	91.7	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.082	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.8	-176.9	-171.6	164.4	0	0	0	110.6	H10 I11 L13 T31 L33 L36 P66	H10-I27 CarbonylContact C-O 3.49Å; H10-I27 VanDerWaalsContact CA-O 3.27Å; H10-I27 WeakPolarHBondContact CA-O 3.43Å; I11-I27 HydrophobicContact CG1-CG2 4.36Å; I11-I27 PolarHBondContact N-O 2.78Å; I11-I27 PolarHBondContact O-N 2.84Å; L13-I27 HydrophobicContact CD1-CG2 3.83Å; L13-I27 HydrophobicContact CG-CG2 4.41Å; I27-T31 HydrophobicContact CD1-CG2 3.97Å; I27-T31 HydrophobicContact CG1-CG2 4.14Å; I27-L33 HydrophobicContact CD1-CD2 4.48Å; I27-L36 HydrophobicContact CD1-CB 4.49Å; I27-P66 HydrophobicContact CG2-CG 4.14Å
28	K	91.8	Very high	91.7	Very high	100 Å²	100	67.9 Å²	67.9	44%	0.435	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.2	173.3	-68.1	-179.7	179.1	-176.2	0	111.3	D9 H10 H30 T31	D9-K28 CarbonylContact O-C 3.5Å; D9-K28 VanDerWaalsContact O-CA 3.25Å; D9-K28 WeakPolarHBondContact O-CA 3.45Å; D9-K28 WeakPolarHBondContact OD1-CB 3.46Å; H10-K28 WeakPolarHBondContact CD2-CG 3.4Å; H10-K28 WeakPolarHBondContact NE2-CE 3.29Å; H10-K28 WeakPolarHBondContact NE2-CG 3.44Å; K28-H30 PolarHBondContact O-N 2.72Å; K28-H30 VanDerWaalsContact O-N 3.12Å; K28-T31 WeakPolarHBondContact CB-OG1 3.43Å; K28-T31 PolarHBondContact O-N 3.48Å
29	R	91.4	Very high	92	Very high	78 Å²	78	63.8 Å²	63.8	29%	0.294	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.4	-178.4	-67.1	-176.7	78.4	108.9	8	113.5	D9 I11 T65 P66 A67 M71	D9-R29 WeakPolarHBondContact O-CG 3.21Å; D9-R29 PolarHBondContact O-N 3.38Å; I11-R29 HydrophobicContact CG1-CG 4.42Å; I11-R29 HydrophobicContact CG2-CG 3.72Å; R29-T65 WeakPolarHBondContact O-CB 3.28Å; R29-P66 VanDerWaalsContact O-CD 3.27Å; R29-P66 WeakPolarHBondContact O-CD 3.39Å; R29-A67 HydrophobicContact CB-CB 4.26Å; R29-A67 WeakPolarHBondContact O-CB 3.44Å; R29-A67 PolarHBondContact O-N 3.39Å; R29-M71 PolarHBondContact NH2-O 3.2Å
30	H	90.7	Very high	92.4	Very high	129 Å²	129	58.7 Å²	58.7	60%	0.597	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	5	179.6	-63.6	-72.6	0	0	0	114.5	D9 K28	D9-H30 IonicContact OD1-CD2 3.9Å; D9-H30 IonicContact OD2-CD2 3.56Å; K28-H30 PolarHBondContact O-N 2.72Å; K28-H30 VanDerWaalsContact O-N 3.12Å
31	T	90.7	Very high	92.6	Very high	31 Å²	31	56.2 Å²	56.2	19%	0.19	28%	0.278	C	S	.	.	S	Bend	trans	-89	135.5	176.6	-63.3	0	0	0	0	110.4	I27 K28 K35 P66	I27-T31 HydrophobicContact CD1-CG2 3.97Å; I27-T31 HydrophobicContact CG1-CG2 4.14Å; K28-T31 WeakPolarHBondContact CB-OG1 3.43Å; K28-T31 PolarHBondContact O-N 3.48Å; T31-K35 HydrophobicContact CG2-CD 4.24Å; T31-P66 WeakPolarHBondContact O-CD 3.43Å
32	P	95.1	Very high	92.7	Very high	55 Å²	55	63 Å²	63	36%	0.357	31%	0.307	S	S	.	.			trans	-58.8	140.2	176	-24.9	33.8	0	0	0	112.7	S34 E62 D64	P32-S34 PolarHBondContact O-N 2.76Å; P32-E62 WeakPolarHBondContact CB-O 3.4Å; P32-D64 CarbonylContact C-O 3.42Å; P32-D64 WeakPolarHBondContact CA-O 3.49Å
33	L	94.8	Very high	92.6	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.4	-178.6	-70.8	171.9	0	0	0	113.5	L13 I27 K35 L36 M37 I60 D64 P66 L69 M71	L13-L33 HydrophobicContact CD1-CD2 4.04Å; I27-L33 HydrophobicContact CD1-CD2 4.48Å; L33-K35 PolarHBondContact O-N 2.79Å; L33-L36 HydrophobicContact CD2-CD1 4.37Å; L33-L36 WeakPolarHBondContact O-CB 3.36Å; L33-L36 PolarHBondContact O-N 2.75Å; L33-M37 WeakPolarHBondContact O-CG 3.42Å; L33-M37 PolarHBondContact O-N 2.78Å; L33-I60 HydrophobicContact CB-CG2 4.25Å; L33-I60 HydrophobicContact CD1-CG2 3.46Å; L33-I60 VanDerWaalsContact CD1-CG2 3.46Å; L33-I60 HydrophobicContact CG-CG2 4.49Å; L33-D64 WeakPolarHBondContact CB-O 3.27Å; L33-D64 HydrophobicContact CD1-CB 4.47Å; L33-D64 WeakPolarHBondContact CG-O 3.33Å; L33-D64 PolarHBondContact N-O 3.32Å; L33-P66 HydrophobicContact CD2-CG 3.91Å; L33-P66 HydrophobicContact CG-CG 4.48Å; L33-L69 HydrophobicContact CD1-CD1 3.76Å; L33-M71 HydrophobicContact CD1-CE 4.34Å; L33-M71 HydrophobicContact CD1-SD 4.24Å
34	S	94.4	Very high	92.3	Very high	27 Å²	27	68.9 Å²	68.9	19%	0.189	32%	0.32	C	S	.	.	H	α-helix	trans	-45.2	-40.2	173.2	56.8	0	0	0	0	114.4	P32 K38 E62	P32-S34 PolarHBondContact O-N 2.76Å; S34-K38 WeakPolarHBondContact O-CB 3.35Å; S34-K38 VanDerWaalsContact O-CG 3.25Å; S34-K38 WeakPolarHBondContact O-CG 3.43Å; S34-K38 PolarHBondContact O-N 2.82Å; S34-E62 VanDerWaalsContact CB-O 3.23Å; S34-E62 WeakPolarHBondContact CB-O 3.49Å; S34-E62 PolarHBondContact N-O 2.87Å
35	K	91.8	Very high	92	Very high	147 Å²	147	66 Å²	66	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-66.4	-44.4	179.5	-72.3	-176.2	-178.2	175.1	0	112	T31 L33 A39	T31-K35 HydrophobicContact CG2-CD 4.24Å; L33-K35 PolarHBondContact O-N 2.79Å; K35-A39 VanDerWaalsContact O-CB 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.47Å; K35-A39 PolarHBondContact O-N 2.95Å
36	L	94.1	Very high	91.7	Very high	5 Å²	5	67 Å²	67	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-46.7	177.5	175.1	158.3	0	0	0	110.1	L13 V15 F25 I27 L33 K38 A39 Y40 I77	L13-L36 HydrophobicContact CB-CD1 4.24Å; L13-L36 HydrophobicContact CD1-CD1 4.12Å; V15-L36 HydrophobicContact CG2-CD1 4.26Å; V15-L36 HydrophobicContact CG2-CD2 3.69Å; V15-L36 HydrophobicContact CG2-CG 4.24Å; F25-L36 HydrophobicContact CB-CD1 3.67Å; F25-L36 HydrophobicContact CB-CG 4.12Å; F25-L36 HydrophobicContact CD1-CG 4.34Å; F25-L36 HydrophobicContact CD2-CD1 4.09Å; F25-L36 HydrophobicContact CD2-CG 3.86Å; F25-L36 HydrophobicContact CE2-CG 4.33Å; F25-L36 HydrophobicContact CG-CD1 3.95Å; F25-L36 HydrophobicContact CG-CG 3.85Å; I27-L36 HydrophobicContact CD1-CB 4.49Å; L33-L36 HydrophobicContact CD2-CD1 4.37Å; L33-L36 WeakPolarHBondContact O-CB 3.36Å; L33-L36 PolarHBondContact O-N 2.75Å; L36-K38 PolarHBondContact O-N 2.77Å; L36-A39 PolarHBondContact O-N 2.76Å; L36-Y40 WeakPolarHBondContact O-CB 3.26Å; L36-Y40 PolarHBondContact O-N 3.39Å; L36-I77 HydrophobicContact CD1-CD1 4.39Å; L36-I77 HydrophobicContact CD2-CD1 4.35Å
37	M	93.7	Very high	91.5	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.059	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-47	-179.8	-62.8	168.2	105.9	0	0	111.7	L33 Y40 C41 M48 F53 I60 E62	L33-M37 WeakPolarHBondContact O-CG 3.42Å; L33-M37 PolarHBondContact O-N 2.78Å; M37-Y40 PolarHBondContact O-N 2.77Å; M37-C41 PolarHBondContact O-N 2.98Å; M37-C41 PolarHBondContact O-SG 2.79Å; M37-M48 HydrophobicContact CB-CE 3.46Å; M37-M48 VanDerWaalsContact CB-CE 3.46Å; M37-M48 HydrophobicContact CG-CE 4.37Å; M37-M48 HydrophobicContact SD-CE 4.04Å; M37-F53 HydrophobicContact CB-CD2 4.33Å; M37-F53 HydrophobicContact CB-CE1 4.32Å; M37-F53 HydrophobicContact CB-CE2 3.78Å; M37-F53 HydrophobicContact CB-CZ 3.78Å; M37-F53 HydrophobicContact CE-CB 3.75Å; M37-F53 HydrophobicContact CE-CD2 3.19Å; M37-F53 HydrophobicContact CE-CE2 3.89Å; M37-F53 HydrophobicContact CE-CG 3.61Å; M37-F53 HydrophobicContact CG-CD1 4.17Å; M37-F53 HydrophobicContact CG-CD2 3.92Å; M37-F53 HydrophobicContact CG-CE1 4.15Å; M37-F53 HydrophobicContact CG-CE2 3.87Å; M37-F53 HydrophobicContact CG-CG 4.05Å; M37-F53 HydrophobicContact CG-CZ 4Å; M37-F53 HydrophobicContact SD-CD2 4.39Å; M37-I60 HydrophobicContact CE-CG2 4.41Å; M37-I60 WeakPolarHBondContact CE-O 3.19Å; M37-E62 HydrophobicContact SD-CG 4.03Å
38	K	92.5	Very high	91.2	Very high	117 Å²	117	65.4 Å²	65.4	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-43.9	177.7	-72.6	173.6	-176.4	178.3	0	112	S34 L36 Y40 C41 E42 M48 E62	S34-K38 WeakPolarHBondContact O-CB 3.35Å; S34-K38 VanDerWaalsContact O-CG 3.25Å; S34-K38 WeakPolarHBondContact O-CG 3.43Å; S34-K38 PolarHBondContact O-N 2.82Å; L36-K38 PolarHBondContact O-N 2.77Å; K38-Y40 VanDerWaalsContact C-N 3.33Å; K38-Y40 PolarHBondContact O-N 3.34Å; K38-C41 WeakPolarHBondContact O-CB 3.26Å; K38-C41 PolarHBondContact O-N 3.4Å; K38-E42 WeakPolarHBondContact O-CB 3.43Å; K38-E42 PolarHBondContact O-N 2.89Å; K38-M48 HydrophobicContact CG-CE 4.03Å; K38-M48 HydrophobicContact CG-SD 4.4Å; K38-E62 WeakPolarHBondContact CE-OE1 3.49Å; K38-E62 IonicContact NZ-OE1 3.85Å
39	A	93	Very high	90.9	Very high	30 Å²	30	70.9 Å²	70.9	25%	0.248	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-37.3	177.5	0	0	0	0	0	112.3	F25 K35 L36 R43	F25-A39 HydrophobicContact CE1-CB 3.69Å; F25-A39 HydrophobicContact CZ-CB 4.16Å; K35-A39 VanDerWaalsContact O-CB 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.47Å; K35-A39 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 2.76Å; A39-R43 WeakPolarHBondContact O-CB 3.39Å; A39-R43 VanDerWaalsContact O-CG 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.45Å; A39-R43 PolarHBondContact O-N 2.92Å
40	Y	92.8	Very high	90.6	Very high	1 Å²	1	71.8 Å²	71.8	0%	0.004	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-48.2	174	-176.8	-92.7	0	0	0	111.6	V15 G17 V23 F25 L36 M37 K38 E42 R43 Q44 L46 I51 F53 V79	V15-Y40 HydrophobicContact CB-CD2 3.88Å; V15-Y40 HydrophobicContact CB-CE2 3.98Å; V15-Y40 HydrophobicContact CG1-CD1 4.35Å; V15-Y40 HydrophobicContact CG1-CD2 3.45Å; V15-Y40 VanDerWaalsContact CG1-CD2 3.45Å; V15-Y40 HydrophobicContact CG1-CE1 4.39Å; V15-Y40 HydrophobicContact CG1-CE2 3.47Å; V15-Y40 VanDerWaalsContact CG1-CE2 3.47Å; V15-Y40 HydrophobicContact CG1-CG 3.9Å; G17-Y40 WeakPolarHBondContact CA-OH 3.49Å; V23-Y40 HydrophobicContact CB-CD2 4.03Å; V23-Y40 HydrophobicContact CB-CE2 4.08Å; V23-Y40 HydrophobicContact CG2-CD2 4.03Å; V23-Y40 HydrophobicContact CG2-CE2 3.75Å; F25-Y40 HydrophobicContact CE2-CD2 4.18Å; L36-Y40 WeakPolarHBondContact O-CB 3.26Å; L36-Y40 PolarHBondContact O-N 3.39Å; M37-Y40 PolarHBondContact O-N 2.77Å; K38-Y40 VanDerWaalsContact C-N 3.33Å; K38-Y40 PolarHBondContact O-N 3.34Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E42 PolarHBondContact O-N 3.3Å; Y40-R43 PolarHBondContact O-N 3.43Å; Y40-Q44 HydrophobicContact CD1-CG 4.22Å; Y40-Q44 HydrophobicContact CD2-CG 4.27Å; Y40-Q44 HydrophobicContact CE1-CG 3.8Å; Y40-Q44 HydrophobicContact CE2-CG 3.89Å; Y40-Q44 HydrophobicContact CG-CG 4.45Å; Y40-Q44 WeakPolarHBondContact O-CB 3.12Å; Y40-Q44 WeakPolarHBondContact O-CG 3.45Å; Y40-Q44 PolarHBondContact O-N 3.01Å; Y40-Q44 PolarHBondContact OH-NE2 2.82Å; Y40-L46 HydrophobicContact CE1-CD1 4.29Å; Y40-I51 HydrophobicContact CD1-CD1 4.18Å; Y40-I51 HydrophobicContact CE1-CD1 4.39Å; Y40-F53 AromaticContact CD1-CE1 3.89Å; Y40-F53 HydrophobicContact CD1-CE1 3.89Å; Y40-F53 AromaticContact CD1-CZ 3.88Å; Y40-F53 HydrophobicContact CD1-CZ 3.88Å; Y40-F53 HydrophobicContact CG-CE1 4.16Å; Y40-F53 HydrophobicContact CG-CZ 4.4Å; Y40-V79 HydrophobicContact CD1-CG2 4.28Å; Y40-V79 HydrophobicContact CE1-CB 4.14Å; Y40-V79 HydrophobicContact CE1-CG1 3.85Å; Y40-V79 HydrophobicContact CE1-CG2 3.8Å
41	C	90.8	Very high	90.6	Very high	10 Å²	10	65.8 Å²	65.8	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-53.7	-48.7	174.4	-73.2	0	0	0	0	112	M37 K38 Q44 G45 L46 I51	M37-C41 PolarHBondContact O-N 2.98Å; M37-C41 PolarHBondContact O-SG 2.79Å; K38-C41 WeakPolarHBondContact O-CB 3.26Å; K38-C41 PolarHBondContact O-N 3.4Å; C41-Q44 PolarHBondContact O-N 3.45Å; C41-G45 CarbonylContact O-C 3.55Å; C41-G45 WeakPolarHBondContact O-CA 3.46Å; C41-G45 PolarHBondContact O-N 2.89Å; C41-L46 VanDerWaalsContact CB-O 3.26Å; C41-L46 WeakPolarHBondContact CB-O 3.49Å; C41-L46 PolarHBondContact O-N 2.98Å; C41-I51 WeakPolarHBondContact SG-CD1 3.31Å
42	E	90.9	Very high	90.6	Very high	173 Å²	173	71.1 Å²	71.1	81%	0.808	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-41.9	-179	-170.1	174.5	88.6	0	0	112.1	K38 Y40 G45	K38-E42 WeakPolarHBondContact O-CB 3.43Å; K38-E42 PolarHBondContact O-N 2.89Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E42 PolarHBondContact O-N 3.3Å; E42-G45 PolarHBondContact O-N 3.1Å
43	R	89.3	Confident	90.6	Very high	161 Å²	161	68.9 Å²	68.9	61%	0.608	33%	0.332	S	S	*	.	H	α-helix	trans	-65	-40.2	177.5	-77.1	-179.2	-177.8	-168.7	1.6	113.2	A39 Y40	A39-R43 WeakPolarHBondContact O-CB 3.39Å; A39-R43 VanDerWaalsContact O-CG 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.45Å; A39-R43 PolarHBondContact O-N 2.92Å; Y40-R43 PolarHBondContact O-N 3.43Å
44	Q	87.1	Confident	90.6	Very high	69 Å²	69	74.1 Å²	74.1	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-88.2	-6.9	-178.2	-61.3	-69.4	71.2	0	0	112.9	S21 Y40 C41 L46	S21-Q44 PolarHBondContact OG-NE2 2.94Å; Y40-Q44 HydrophobicContact CD1-CG 4.22Å; Y40-Q44 HydrophobicContact CD2-CG 4.27Å; Y40-Q44 HydrophobicContact CE1-CG 3.8Å; Y40-Q44 HydrophobicContact CE2-CG 3.89Å; Y40-Q44 HydrophobicContact CG-CG 4.45Å; Y40-Q44 WeakPolarHBondContact O-CB 3.12Å; Y40-Q44 WeakPolarHBondContact O-CG 3.45Å; Y40-Q44 PolarHBondContact O-N 3.01Å; Y40-Q44 PolarHBondContact OH-NE2 2.82Å; C41-Q44 PolarHBondContact O-N 3.45Å; Q44-L46 HydrophobicContact CB-CB 4.41Å; Q44-L46 HydrophobicContact CB-CD1 3.65Å; Q44-L46 HydrophobicContact CB-CG 3.74Å; Q44-L46 HydrophobicContact CG-CD1 4.37Å; Q44-L46 PolarHBondContact O-N 2.94Å
45	G	88.3	Confident	90.6	Very high	71 Å²	71	74 Å²	74	73%	0.732	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	27.6	-173.2	0	0	0	0	0	113.3	C41 E42	C41-G45 CarbonylContact O-C 3.55Å; C41-G45 WeakPolarHBondContact O-CA 3.46Å; C41-G45 PolarHBondContact O-N 2.89Å; E42-G45 PolarHBondContact O-N 3.1Å
46	L	87.9	Confident	90.6	Very high	44 Å²	44	73.8 Å²	73.8	23%	0.23	35%	0.353	C	S	.	.			trans	-99.5	148	-177.6	-63.6	172.6	0	0	0	111	Y40 C41 Q44 I51	Y40-L46 HydrophobicContact CE1-CD1 4.29Å; C41-L46 VanDerWaalsContact CB-O 3.26Å; C41-L46 WeakPolarHBondContact CB-O 3.49Å; C41-L46 PolarHBondContact O-N 2.98Å; Q44-L46 HydrophobicContact CB-CB 4.41Å; Q44-L46 HydrophobicContact CB-CD1 3.65Å; Q44-L46 HydrophobicContact CB-CG 3.74Å; Q44-L46 HydrophobicContact CG-CD1 4.37Å; Q44-L46 PolarHBondContact O-N 2.94Å; L46-I51 HydrophobicContact CB-CD1 4.41Å; L46-I51 HydrophobicContact CB-CG2 4.18Å; L46-I51 HydrophobicContact CD1-CG2 4.05Å
47	S	87.4	Confident	90.4	Very high	56 Å²	56	75.8 Å²	75.8	39%	0.392	38%	0.376	S	S	.	.			trans	-84.3	134.3	171.2	-170.3	0	0	0	0	110.7	R49 Q50 I51	S47-R49 PolarHBondContact O-N 3.01Å; S47-Q50 VanDerWaalsContact CB-OE1 3.25Å; S47-Q50 PolarHBondContact O-N 2.87Å; S47-I51 PolarHBondContact O-N 3.01Å
48	M	86.3	Confident	90.3	Very high	56 Å²	56	81.1 Å²	81.1	28%	0.276	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.2	174.5	-155.9	179.9	-149.7	0	0	113	M37 K38 E62	M37-M48 HydrophobicContact CB-CE 3.46Å; M37-M48 VanDerWaalsContact CB-CE 3.46Å; M37-M48 HydrophobicContact CG-CE 4.37Å; M37-M48 HydrophobicContact SD-CE 4.04Å; K38-M48 HydrophobicContact CG-CE 4.03Å; K38-M48 HydrophobicContact CG-SD 4.4Å; M48-E62 HydrophobicContact CE-CG 3.52Å; M48-E62 VanDerWaalsContact CE-OE1 3.31Å; M48-E62 WeakPolarHBondContact CE-OE1 3.33Å; M48-E62 HydrophobicContact SD-CG 4.4Å
49	R	85.9	Confident	90.3	Very high	215 Å²	215	79.9 Å²	79.9	81%	0.811	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.1	177.3	-154.9	175.1	-172.7	-178.7	1.5	113.3	S47	S47-R49 PolarHBondContact O-N 3.01Å
50	Q	85.4	Confident	90.4	Very high	97 Å²	97	79.1 Å²	79.1	45%	0.453	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.7	-179.9	-69.5	177.1	-59.7	0	0	112.4	S47 Q81 Q82	S47-Q50 VanDerWaalsContact CB-OE1 3.25Å; S47-Q50 PolarHBondContact O-N 2.87Å; Q50-Q81 CarbonylContact O-C 3.53Å; Q50-Q81 WeakPolarHBondContact O-CA 3.49Å; Q50-Q82 PolarHBondContact O-N 3.11Å
51	I	90.3	Very high	90.4	Very high	4 Å²	4	83.6 Å²	83.6	2%	0.021	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.9	-179	68.4	175.9	0	0	0	111.9	Y40 C41 L46 S47 F53 V79 F80 Q81	Y40-I51 HydrophobicContact CD1-CD1 4.18Å; Y40-I51 HydrophobicContact CE1-CD1 4.39Å; C41-I51 WeakPolarHBondContact SG-CD1 3.31Å; L46-I51 HydrophobicContact CB-CD1 4.41Å; L46-I51 HydrophobicContact CB-CG2 4.18Å; L46-I51 HydrophobicContact CD1-CG2 4.05Å; S47-I51 PolarHBondContact O-N 3.01Å; I51-F53 HydrophobicContact CD1-CD2 4.49Å; I51-F53 HydrophobicContact CD1-CE2 3.51Å; I51-F53 HydrophobicContact CD1-CZ 3.54Å; I51-F53 HydrophobicContact CG1-CD2 4.48Å; I51-F53 HydrophobicContact CG1-CE2 3.81Å; I51-F53 HydrophobicContact CG1-CZ 4.35Å; I51-V79 HydrophobicContact CB-CG1 3.93Å; I51-V79 HydrophobicContact CD1-CG1 3.88Å; I51-V79 HydrophobicContact CG1-CG1 4.37Å; I51-V79 HydrophobicContact CG2-CG1 4.34Å; I51-F80 CarbonylContact C-O 3.57Å; I51-F80 WeakPolarHBondContact CA-O 3.23Å; I51-Q81 HydrophobicContact CG2-CG 4.07Å
52	R	91.6	Very high	90.5	Very high	143 Å²	143	87.1 Å²	87.1	54%	0.54	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.8	175.2	-63.7	-65.1	178.5	180	-2	108.7	V79 F80 Q82	R52-V79 WeakPolarHBondContact O-CA 3.27Å; R52-F80 PolarHBondContact N-O 2.99Å; R52-F80 PolarHBondContact O-N 2.85Å; R52-Q82 VanDerWaalsContact NE-OE1 3.14Å
53	F	93.9	Very high	90.6	Very high	7 Å²	7	84.1 Å²	84.1	3%	0.031	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.5	174	-62.3	-102.4	0	0	0	108.4	V15 M37 Y40 I51 I60 I77 D78 V79	V15-F53 HydrophobicContact CG1-CD1 4.44Å; V15-F53 HydrophobicContact CG1-CE1 4.16Å; M37-F53 HydrophobicContact CB-CD2 4.33Å; M37-F53 HydrophobicContact CB-CE1 4.32Å; M37-F53 HydrophobicContact CB-CE2 3.78Å; M37-F53 HydrophobicContact CB-CZ 3.78Å; M37-F53 HydrophobicContact CE-CB 3.75Å; M37-F53 HydrophobicContact CE-CD2 3.19Å; M37-F53 HydrophobicContact CE-CE2 3.89Å; M37-F53 HydrophobicContact CE-CG 3.61Å; M37-F53 HydrophobicContact CG-CD1 4.17Å; M37-F53 HydrophobicContact CG-CD2 3.92Å; M37-F53 HydrophobicContact CG-CE1 4.15Å; M37-F53 HydrophobicContact CG-CE2 3.87Å; M37-F53 HydrophobicContact CG-CG 4.05Å; M37-F53 HydrophobicContact CG-CZ 4Å; M37-F53 HydrophobicContact SD-CD2 4.39Å; Y40-F53 AromaticContact CD1-CE1 3.89Å; Y40-F53 HydrophobicContact CD1-CE1 3.89Å; Y40-F53 AromaticContact CD1-CZ 3.88Å; Y40-F53 HydrophobicContact CD1-CZ 3.88Å; Y40-F53 HydrophobicContact CG-CE1 4.16Å; Y40-F53 HydrophobicContact CG-CZ 4.4Å; I51-F53 HydrophobicContact CD1-CD2 4.49Å; I51-F53 HydrophobicContact CD1-CE2 3.51Å; I51-F53 HydrophobicContact CD1-CZ 3.54Å; I51-F53 HydrophobicContact CG1-CD2 4.48Å; I51-F53 HydrophobicContact CG1-CE2 3.81Å; I51-F53 HydrophobicContact CG1-CZ 4.35Å; F53-I60 HydrophobicContact CB-CB 4.17Å; F53-I60 HydrophobicContact CB-CD1 4.22Å; F53-I60 PolarHBondContact O-N 3.33Å; F53-I77 HydrophobicContact CB-CG2 4.01Å; F53-I77 HydrophobicContact CD1-CG2 3.92Å; F53-I77 HydrophobicContact CG-CG2 4.49Å; F53-D78 CarbonylContact C-O 3.58Å; F53-D78 WeakPolarHBondContact CA-O 3.26Å; F53-V79 HydrophobicContact CD1-CG2 3.6Å; F53-V79 HydrophobicContact CE1-CG2 3.64Å; F53-V79 HydrophobicContact CG-CG2 4.42Å; F53-V79 HydrophobicContact CZ-CG2 4.5Å
54	R	94.7	Very high	90.9	Very high	112 Å²	112	77.7 Å²	77.7	42%	0.423	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.9	176.4	-67.9	-172.3	175.9	-170.9	-0.3	110.6	Q58 I77 D78 F80	R54-Q58 CarbonylContact C-O 3.49Å; R54-Q58 WeakPolarHBondContact CA-O 3.28Å; R54-Q58 WeakPolarHBondContact CB-O 3.45Å; R54-I77 CarbonylContact O-C 3.56Å; R54-I77 WeakPolarHBondContact O-CA 3.46Å; R54-I77 WeakPolarHBondContact O-CG2 3.48Å; R54-D78 PolarHBondContact N-O 2.87Å; R54-D78 PolarHBondContact O-N 3.1Å; R54-F80 HydrophobicContact CB-CE2 4.26Å; R54-F80 HydrophobicContact CG-CD2 4.28Å; R54-F80 HydrophobicContact CG-CE2 4.36Å
55	F	94.8	Very high	91.2	Very high	25 Å²	25	75.1 Å²	75.1	11%	0.11	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.1	169.7	177.3	-112	0	0	0	107.4	G57 Q58 I60 L69 M71 D75 T76	F55-G57 PolarHBondContact O-N 2.99Å; F55-Q58 PolarHBondContact N-O 2.99Å; F55-Q58 WeakPolarHBondContact O-CA 3.38Å; F55-Q58 WeakPolarHBondContact O-CB 3.45Å; F55-Q58 PolarHBondContact O-N 3.46Å; F55-I60 HydrophobicContact CB-CD1 3.69Å; F55-I60 HydrophobicContact CB-CG1 3.96Å; F55-L69 HydrophobicContact CD1-CB 4.28Å; F55-L69 VanDerWaalsContact CE1-O 3.31Å; F55-L69 WeakPolarHBondContact CE1-O 3.25Å; F55-M71 HydrophobicContact CB-CE 3.47Å; F55-M71 VanDerWaalsContact CB-CE 3.47Å; F55-M71 HydrophobicContact CD1-CE 3.79Å; F55-M71 HydrophobicContact CD1-CG 3.99Å; F55-M71 HydrophobicContact CD2-CE 3.52Å; F55-M71 HydrophobicContact CD2-CG 4.29Å; F55-M71 HydrophobicContact CE1-CE 4.4Å; F55-M71 HydrophobicContact CE1-CG 3.71Å; F55-M71 HydrophobicContact CE2-CE 4.18Å; F55-M71 HydrophobicContact CE2-CG 4.05Å; F55-M71 HydrophobicContact CG-CE 3.3Å; F55-M71 HydrophobicContact CG-CG 4.27Å; F55-M71 HydrophobicContact CZ-CB 4.46Å; F55-M71 HydrophobicContact CZ-CG 3.74Å; F55-D75 HydrophobicContact CE2-CB 3.84Å; F55-D75 VanDerWaalsContact CE2-CG 3.46Å; F55-D75 WeakPolarHBondContact CE2-OD1 3.31Å; F55-D75 HydrophobicContact CZ-CB 4.38Å; F55-T76 WeakPolarHBondContact CD2-O 3.22Å
56	D	92.1	Very high	91.5	Very high	141 Å²	141	71.7 Å²	71.7	75%	0.754	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	35.8	-174.6	-151.6	-116.3	0	0	0	113.4	Q58	D56-Q58 PolarHBondContact O-N 3Å
57	G	89.3	Confident	91.7	Very high	48 Å²	48	71.2 Å²	71.2	50%	0.495	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-8.7	-176	0	0	0	0	0	116	F55	F55-G57 PolarHBondContact O-N 2.99Å
58	Q	91.9	Very high	92	Very high	124 Å²	124	74.4 Å²	74.4	58%	0.579	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.7	176.4	-59.5	-171.4	-71.9	0	0	111.8	R54 F55 D56	R54-Q58 CarbonylContact C-O 3.49Å; R54-Q58 WeakPolarHBondContact CA-O 3.28Å; R54-Q58 WeakPolarHBondContact CB-O 3.45Å; F55-Q58 PolarHBondContact N-O 2.99Å; F55-Q58 WeakPolarHBondContact O-CA 3.38Å; F55-Q58 WeakPolarHBondContact O-CB 3.45Å; F55-Q58 PolarHBondContact O-N 3.46Å; D56-Q58 PolarHBondContact O-N 3Å
59	P	92.8	Very high	92.3	Very high	91 Å²	91	73.3 Å²	73.3	59%	0.591	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.3	177	29.5	-33.8	0	0	0	111.5
60	I	94.4	Very high	92.7	Very high	14 Å²	14	70.9 Å²	70.9	7%	0.072	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-95.6	132.9	175.6	-56.3	176	0	0	0	109.7	L33 M37 F53 F55 D64 L69 M71 I77	L33-I60 HydrophobicContact CB-CG2 4.25Å; L33-I60 HydrophobicContact CD1-CG2 3.46Å; L33-I60 VanDerWaalsContact CD1-CG2 3.46Å; L33-I60 HydrophobicContact CG-CG2 4.49Å; M37-I60 HydrophobicContact CE-CG2 4.41Å; M37-I60 WeakPolarHBondContact CE-O 3.19Å; F53-I60 HydrophobicContact CB-CB 4.17Å; F53-I60 HydrophobicContact CB-CD1 4.22Å; F53-I60 PolarHBondContact O-N 3.33Å; F55-I60 HydrophobicContact CB-CD1 3.69Å; F55-I60 HydrophobicContact CB-CG1 3.96Å; I60-D64 HydrophobicContact CG2-CB 4.42Å; I60-L69 HydrophobicContact CB-CD1 4.47Å; I60-L69 HydrophobicContact CD1-CD1 4.42Å; I60-L69 HydrophobicContact CG1-CD1 3.97Å; I60-L69 HydrophobicContact CG2-CD1 4.04Å; I60-M71 HydrophobicContact CD1-CE 3.86Å; I60-I77 HydrophobicContact CD1-CB 4.41Å; I60-I77 HydrophobicContact CD1-CD1 4Å; I60-I77 HydrophobicContact CD1-CG1 3.95Å; I60-I77 HydrophobicContact CD1-CG2 3.64Å
61	N	93.6	Very high	93.1	Very high	94 Å²	94	66.3 Å²	66.3	50%	0.503	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-97.8	160	171.9	-52	-77.7	0	0	0	111.9	T63 D64	N61-T63 PolarHBondContact O-N 3.26Å; N61-D64 WeakPolarHBondContact CA-OD2 3.4Å; N61-D64 WeakPolarHBondContact CB-OD2 3.49Å; N61-D64 PolarHBondContact N-OD2 3.46Å; N61-D64 PolarHBondContact ND2-OD2 3.01Å; N61-D64 WeakPolarHBondContact O-CB 3.45Å; N61-D64 PolarHBondContact O-N 2.97Å; N61-D64 VanDerWaalsContact O-N 3.13Å
62	E	92.4	Very high	93.3	Very high	85 Å²	85	72.4 Å²	72.4	40%	0.397	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.7	179.5	-73.2	-172.6	87	0	0	114.1	P32 S34 M37 K38 M48	P32-E62 WeakPolarHBondContact CB-O 3.4Å; S34-E62 VanDerWaalsContact CB-O 3.23Å; S34-E62 WeakPolarHBondContact CB-O 3.49Å; S34-E62 PolarHBondContact N-O 2.87Å; M37-E62 HydrophobicContact SD-CG 4.03Å; K38-E62 WeakPolarHBondContact CE-OE1 3.49Å; K38-E62 IonicContact NZ-OE1 3.85Å; M48-E62 HydrophobicContact CE-CG 3.52Å; M48-E62 VanDerWaalsContact CE-OE1 3.31Å; M48-E62 WeakPolarHBondContact CE-OE1 3.33Å; M48-E62 HydrophobicContact SD-CG 4.4Å
63	T	93.8	Very high	93.3	Very high	109 Å²	109	69.4 Å²	69.4	67%	0.669	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.5	-179.8	52.6	0	0	0	0	113.3	N61	N61-T63 PolarHBondContact O-N 3.26Å
64	D	94.7	Very high	93.3	Very high	26 Å²	26	74.6 Å²	74.6	14%	0.139	39%	0.391	C	S	.	.			trans	-67.3	147.9	-179.1	-68.4	-39.3	0	0	0	110.2	P32 L33 I60 N61 L69	P32-D64 CarbonylContact C-O 3.42Å; P32-D64 WeakPolarHBondContact CA-O 3.49Å; L33-D64 WeakPolarHBondContact CB-O 3.27Å; L33-D64 HydrophobicContact CD1-CB 4.47Å; L33-D64 WeakPolarHBondContact CG-O 3.33Å; L33-D64 PolarHBondContact N-O 3.32Å; I60-D64 HydrophobicContact CG2-CB 4.42Å; N61-D64 WeakPolarHBondContact CA-OD2 3.4Å; N61-D64 WeakPolarHBondContact CB-OD2 3.49Å; N61-D64 PolarHBondContact N-OD2 3.46Å; N61-D64 PolarHBondContact ND2-OD2 3.01Å; N61-D64 WeakPolarHBondContact O-CB 3.45Å; N61-D64 PolarHBondContact O-N 2.97Å; N61-D64 VanDerWaalsContact O-N 3.13Å; D64-L69 HydrophobicContact CB-CD1 4.02Å; D64-L69 HydrophobicContact CB-CG 4.26Å
65	T	94.1	Very high	93.4	Very high	15 Å²	15	71.3 Å²	71.3	9%	0.092	38%	0.382	C	S	.	.			trans	-114.4	151.3	176.9	61.4	0	0	0	0	109.5	R29 A67 Q68 L69	R29-T65 WeakPolarHBondContact O-CB 3.28Å; T65-A67 PolarHBondContact O-N 3.15Å; T65-Q68 VanDerWaalsContact N-OE1 3.17Å; T65-Q68 PolarHBondContact O-N 3.18Å; T65-Q68 VanDerWaalsContact OG1-CG 3.26Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q68 PolarHBondContact OG1-N 3.46Å; T65-Q68 PolarHBondContact OG1-OE1 2.99Å; T65-L69 PolarHBondContact O-N 2.92Å
66	P	93.6	Very high	93.4	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.7	175.2	-18.9	23.6	0	0	0	113.4	I11 L13 I27 R29 T31 L33 Q68 L69 E70 M71	I11-P66 HydrophobicContact CD1-CB 3.36Å; I11-P66 HydrophobicContact CD1-CG 4Å; I11-P66 HydrophobicContact CG1-CB 4.36Å; L13-P66 HydrophobicContact CD1-CG 4.25Å; I27-P66 HydrophobicContact CG2-CG 4.14Å; R29-P66 VanDerWaalsContact O-CD 3.27Å; R29-P66 WeakPolarHBondContact O-CD 3.39Å; T31-P66 WeakPolarHBondContact O-CD 3.43Å; L33-P66 HydrophobicContact CD2-CG 3.91Å; L33-P66 HydrophobicContact CG-CG 4.48Å; P66-Q68 VanDerWaalsContact C-N 3.35Å; P66-Q68 PolarHBondContact O-N 3.36Å; P66-L69 PolarHBondContact O-N 2.78Å; P66-E70 PolarHBondContact O-N 2.96Å; P66-E70 VanDerWaalsContact O-N 3.15Å; P66-M71 HydrophobicContact CB-CB 3.9Å; P66-M71 HydrophobicContact CB-CG 4.44Å; P66-M71 HydrophobicContact CB-SD 3.96Å; P66-M71 PolarHBondContact O-N 3.18Å
67	A	92.8	Very high	93.5	Very high	33 Å²	33	66.2 Å²	66.2	27%	0.273	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.8	175.1	0	0	0	0	0	113.3	R29 T65 E70	R29-A67 HydrophobicContact CB-CB 4.26Å; R29-A67 WeakPolarHBondContact O-CB 3.44Å; R29-A67 PolarHBondContact O-N 3.39Å; T65-A67 PolarHBondContact O-N 3.15Å; A67-E70 PolarHBondContact O-N 3.4Å
68	Q	93.4	Very high	93.8	Very high	123 Å²	123	67 Å²	67	58%	0.575	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.8	179.4	-75.2	170.6	-77.9	0	0	113.1	T65 P66	T65-Q68 VanDerWaalsContact N-OE1 3.17Å; T65-Q68 PolarHBondContact O-N 3.18Å; T65-Q68 VanDerWaalsContact OG1-CG 3.26Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q68 PolarHBondContact OG1-N 3.46Å; T65-Q68 PolarHBondContact OG1-OE1 2.99Å; P66-Q68 VanDerWaalsContact C-N 3.35Å; P66-Q68 PolarHBondContact O-N 3.36Å
69	L	93.3	Very high	93.8	Very high	33 Å²	33	61.4 Å²	61.4	17%	0.173	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	8.6	176.2	-62.5	177.5	0	0	0	112.1	L33 F55 I60 D64 T65 P66 M71	L33-L69 HydrophobicContact CD1-CD1 3.76Å; F55-L69 HydrophobicContact CD1-CB 4.28Å; F55-L69 VanDerWaalsContact CE1-O 3.31Å; F55-L69 WeakPolarHBondContact CE1-O 3.25Å; I60-L69 HydrophobicContact CB-CD1 4.47Å; I60-L69 HydrophobicContact CD1-CD1 4.42Å; I60-L69 HydrophobicContact CG1-CD1 3.97Å; I60-L69 HydrophobicContact CG2-CD1 4.04Å; D64-L69 HydrophobicContact CB-CD1 4.02Å; D64-L69 HydrophobicContact CB-CG 4.26Å; T65-L69 PolarHBondContact O-N 2.92Å; P66-L69 PolarHBondContact O-N 2.78Å; L69-M71 HydrophobicContact CB-CE 4.43Å; L69-M71 HydrophobicContact CB-CG 4.01Å; L69-M71 HydrophobicContact CB-SD 4.38Å; L69-M71 HydrophobicContact CD1-CE 3.93Å; L69-M71 HydrophobicContact CD1-SD 4.42Å; L69-M71 PolarHBondContact O-N 2.83Å; L69-M71 VanDerWaalsContact O-N 3.1Å
70	E	93.5	Very high	93.7	Very high	165 Å²	165	60.9 Å²	60.9	77%	0.771	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	29.9	-179	-57.7	-173.6	96.9	0	0	113.7	P66 A67	P66-E70 PolarHBondContact O-N 2.96Å; P66-E70 VanDerWaalsContact O-N 3.15Å; A67-E70 PolarHBondContact O-N 3.4Å
71	M	93.8	Very high	93.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.333	C	S	.	.			trans	-69.4	142.8	179.1	-68.7	173.9	159.1	0	0	111.8	I11 L13 R29 L33 F55 I60 P66 L69 D75 I77	I11-M71 HydrophobicContact CD1-CB 4.04Å; L13-M71 HydrophobicContact CD1-SD 3.86Å; L13-M71 HydrophobicContact CD2-CB 4.21Å; L13-M71 HydrophobicContact CD2-SD 4.11Å; R29-M71 PolarHBondContact NH2-O 3.2Å; L33-M71 HydrophobicContact CD1-CE 4.34Å; L33-M71 HydrophobicContact CD1-SD 4.24Å; F55-M71 HydrophobicContact CB-CE 3.47Å; F55-M71 VanDerWaalsContact CB-CE 3.47Å; F55-M71 HydrophobicContact CD1-CE 3.79Å; F55-M71 HydrophobicContact CD1-CG 3.99Å; F55-M71 HydrophobicContact CD2-CE 3.52Å; F55-M71 HydrophobicContact CD2-CG 4.29Å; F55-M71 HydrophobicContact CE1-CE 4.4Å; F55-M71 HydrophobicContact CE1-CG 3.71Å; F55-M71 HydrophobicContact CE2-CE 4.18Å; F55-M71 HydrophobicContact CE2-CG 4.05Å; F55-M71 HydrophobicContact CG-CE 3.3Å; F55-M71 HydrophobicContact CG-CG 4.27Å; F55-M71 HydrophobicContact CZ-CB 4.46Å; F55-M71 HydrophobicContact CZ-CG 3.74Å; I60-M71 HydrophobicContact CD1-CE 3.86Å; P66-M71 HydrophobicContact CB-CB 3.9Å; P66-M71 HydrophobicContact CB-CG 4.44Å; P66-M71 HydrophobicContact CB-SD 3.96Å; P66-M71 PolarHBondContact O-N 3.18Å; L69-M71 HydrophobicContact CB-CE 4.43Å; L69-M71 HydrophobicContact CB-CG 4.01Å; L69-M71 HydrophobicContact CB-SD 4.38Å; L69-M71 HydrophobicContact CD1-CE 3.93Å; L69-M71 HydrophobicContact CD1-SD 4.42Å; L69-M71 PolarHBondContact O-N 2.83Å; L69-M71 VanDerWaalsContact O-N 3.1Å; M71-D75 WeakPolarHBondContact CA-OD2 3.41Å; M71-I77 HydrophobicContact CE-CD1 3.78Å; M71-I77 HydrophobicContact CE-CG1 3.67Å; M71-I77 HydrophobicContact SD-CD1 4.5Å
72	E	94	Very high	92.4	Very high	132 Å²	132	65 Å²	65	62%	0.617	33%	0.329	S	S	*	.			trans	-111.9	178.3	179.2	-59.3	-163.2	89.7	0	0	112.1	D75	E72-D75 PolarHBondContact N-OD2 3.07Å
73	D	92.9	Very high	91.1	Very high	81 Å²	81	69.8 Å²	69.8	43%	0.433	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	139.6	174.2	-162.5	-115.7	0	0	0	110.1	N12 D75	N12-D73 WeakPolarHBondContact CB-OD2 3.25Å; N12-D73 PolarHBondContact N-OD2 3.13Å; N12-D73 PolarHBondContact ND2-OD2 3.44Å; D73-D75 PolarHBondContact O-N 2.98Å
74	E	93.8	Very high	89.5	Confident	116 Å²	116	69.6 Å²	69.6	54%	0.542	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	6.8	-177.7	-52.3	-158	71.6	0	0	116.7	N12 K14	N12-E74 VanDerWaalsContact O-CA 3.29Å; N12-E74 WeakPolarHBondContact O-CA 3.39Å; N12-E74 PolarHBondContact O-N 3.28Å; K14-E74 IonicContact NZ-OE1 2.79Å; K14-E74 PolarHBondContact NZ-OE1 2.85Å
75	D	95.7	Very high	87.6	Confident	43 Å²	43	71.1 Å²	71.1	23%	0.23	37%	0.372	C	S	.	.			trans	-60.3	152.6	176.6	-104.4	-41.1	0	0	0	113.2	L13 K14 F55 M71 E72 D73	L13-D75 HydrophobicContact CD2-CB 3.74Å; K14-D75 PolarHBondContact N-O 3.12Å; F55-D75 HydrophobicContact CE2-CB 3.84Å; F55-D75 VanDerWaalsContact CE2-CG 3.46Å; F55-D75 WeakPolarHBondContact CE2-OD1 3.31Å; F55-D75 HydrophobicContact CZ-CB 4.38Å; M71-D75 WeakPolarHBondContact CA-OD2 3.41Å; E72-D75 PolarHBondContact N-OD2 3.07Å; D73-D75 PolarHBondContact O-N 2.98Å
76	T	95.2	Very high	85.4	Confident	58 Å²	58	73.5 Å²	73.5	36%	0.356	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	-175.8	-55.2	0	0	0	0	112.1	K14 A16 F55	K14-T76 HydrophobicContact CB-CG2 4.41Å; K14-T76 CarbonylContact O-C 3.55Å; K14-T76 VanDerWaalsContact O-CA 3.28Å; K14-T76 WeakPolarHBondContact O-CA 3.19Å; A16-T76 HydrophobicContact CB-CG2 3.84Å; F55-T76 WeakPolarHBondContact CD2-O 3.22Å
77	I	95.5	Very high	83.2	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.005	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.8	171.7	-63	173.3	0	0	0	108.1	L13 K14 V15 A16 L36 F53 R54 I60 M71	L13-I77 HydrophobicContact CD1-CD1 4.1Å; K14-I77 PolarHBondContact O-N 3.21Å; V15-I77 CarbonylContact C-O 3.53Å; V15-I77 WeakPolarHBondContact CA-O 3.34Å; V15-I77 HydrophobicContact CG2-CB 4.46Å; A16-I77 PolarHBondContact N-O 2.81Å; L36-I77 HydrophobicContact CD1-CD1 4.39Å; L36-I77 HydrophobicContact CD2-CD1 4.35Å; F53-I77 HydrophobicContact CB-CG2 4.01Å; F53-I77 HydrophobicContact CD1-CG2 3.92Å; F53-I77 HydrophobicContact CG-CG2 4.49Å; R54-I77 CarbonylContact O-C 3.56Å; R54-I77 WeakPolarHBondContact O-CA 3.46Å; R54-I77 WeakPolarHBondContact O-CG2 3.48Å; I60-I77 HydrophobicContact CD1-CB 4.41Å; I60-I77 HydrophobicContact CD1-CD1 4Å; I60-I77 HydrophobicContact CD1-CG1 3.95Å; I60-I77 HydrophobicContact CD1-CG2 3.64Å; M71-I77 HydrophobicContact CE-CD1 3.78Å; M71-I77 HydrophobicContact CE-CG1 3.67Å; M71-I77 HydrophobicContact SD-CD1 4.5Å
78	D	94.5	Very high	80.9	Confident	65 Å²	65	93.3 Å²	93.3	35%	0.348	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.7	175.2	-65.1	-67	0	0	0	111	F53 R54 F80	F53-D78 CarbonylContact C-O 3.58Å; F53-D78 WeakPolarHBondContact CA-O 3.26Å; R54-D78 PolarHBondContact N-O 2.87Å; R54-D78 PolarHBondContact O-N 3.1Å; D78-F80 HydrophobicContact CB-CD2 4.26Å; D78-F80 HydrophobicContact CB-CE2 3.47Å; D78-F80 VanDerWaalsContact CB-CE2 3.47Å; D78-F80 HydrophobicContact CB-CZ 4.05Å
79	V	92.9	Very high	80.3	Confident	6 Å²	6	91.9 Å²	91.9	4%	0.036	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.9	175.3	-175.4	0	0	0	0	109.6	V15 A16 Q18 Y40 I51 R52 F53	V15-V79 HydrophobicContact CG1-CG2 3.3Å; A16-V79 PolarHBondContact O-N 2.83Å; Q18-V79 VanDerWaalsContact CG-O 3.24Å; Q18-V79 WeakPolarHBondContact CG-O 3.34Å; Y40-V79 HydrophobicContact CD1-CG2 4.28Å; Y40-V79 HydrophobicContact CE1-CB 4.14Å; Y40-V79 HydrophobicContact CE1-CG1 3.85Å; Y40-V79 HydrophobicContact CE1-CG2 3.8Å; I51-V79 HydrophobicContact CB-CG1 3.93Å; I51-V79 HydrophobicContact CD1-CG1 3.88Å; I51-V79 HydrophobicContact CG1-CG1 4.37Å; I51-V79 HydrophobicContact CG2-CG1 4.34Å; R52-V79 WeakPolarHBondContact O-CA 3.27Å; F53-V79 HydrophobicContact CD1-CG2 3.6Å; F53-V79 HydrophobicContact CE1-CG2 3.64Å; F53-V79 HydrophobicContact CG-CG2 4.42Å; F53-V79 HydrophobicContact CZ-CG2 4.5Å
80	F	89.4	Confident	79.6	Confident	80 Å²	80	94.9 Å²	94.9	35%	0.351	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.9	176.2	-64	-90.2	0	0	0	110.1	Q18 I51 R52 R54 D78 Q82	Q18-F80 HydrophobicContact CG-CD1 4.36Å; I51-F80 CarbonylContact C-O 3.57Å; I51-F80 WeakPolarHBondContact CA-O 3.23Å; R52-F80 PolarHBondContact N-O 2.99Å; R52-F80 PolarHBondContact O-N 2.85Å; R54-F80 HydrophobicContact CB-CE2 4.26Å; R54-F80 HydrophobicContact CG-CD2 4.28Å; R54-F80 HydrophobicContact CG-CE2 4.36Å; D78-F80 HydrophobicContact CB-CD2 4.26Å; D78-F80 HydrophobicContact CB-CE2 3.47Å; D78-F80 VanDerWaalsContact CB-CE2 3.47Å; D78-F80 HydrophobicContact CB-CZ 4.05Å; F80-Q82 PolarHBondContact O-N 2.97Å
81	Q	85.8	Confident	78.9	Confident	103 Å²	103	91.1 Å²	91.1	48%	0.481	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129	166.4	-63.1	-173	43.4	0	0	108.6	Q50 I51 Q83	Q50-Q81 CarbonylContact O-C 3.53Å; Q50-Q81 WeakPolarHBondContact O-CA 3.49Å; I51-Q81 HydrophobicContact CG2-CG 4.07Å; Q81-Q83 PolarHBondContact O-N 2.94Å
82	Q	76.3	Confident	78	Confident	90 Å²	90	96.4 Å²	96.4	42%	0.421	51%	0.511	S	S	.	.			trans	-63.3	108.5	168.3	-145.2	-179.7	-87	0	0	105.9	Q50 R52 F80 T84	Q50-Q82 PolarHBondContact O-N 3.11Å; R52-Q82 VanDerWaalsContact NE-OE1 3.14Å; F80-Q82 PolarHBondContact O-N 2.97Å; Q82-T84 VanDerWaalsContact C-N 3.29Å; Q82-T84 PolarHBondContact O-N 2.93Å
83	Q	64.4	Low	77	Confident	186 Å²	186	94.2 Å²	94.2	87%	0.869	50%	0.504	S	S	*	.			trans	-63	95.2	178.1	-164.8	178.2	45.8	0	0	107.8	Q81 G85	Q81-Q83 PolarHBondContact O-N 2.94Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.79Å
84	T	59.5	Low	75.9	Confident	106 Å²	106	95.1 Å²	95.1	65%	0.65	51%	0.509	S	S	*	.			trans	-68.3	99.1	158.9	45.8	0	0	0	0	104.5	Q82 G86	Q82-T84 VanDerWaalsContact C-N 3.29Å; Q82-T84 PolarHBondContact O-N 2.93Å; T84-G86 PolarHBondContact O-N 2.82Å
85	G	54.9	Low	74.6	Confident	57 Å²	57	93.6 Å²	93.6	59%	0.588	51%	0.507	S	S	*	.			trans	-45.1	132.7	179.3	0	0	0	0	0	110	Q83 V87	Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.79Å; G85-V87 PolarHBondContact O-N 3.18Å; G85-V87 VanDerWaalsContact O-N 3.09Å
86	G	49.4	Very low	73	Confident	66 Å²	66	97.5 Å²	97.5	68%	0.68	53%	0.528	S	S	*	.			trans	-51.5	119.4	179.7	0	0	0	0	0	109.8	T84 Y88	T84-G86 PolarHBondContact O-N 2.82Å; G86-Y88 PolarHBondContact O-N 3Å
87	V	45.8	Very low	71.2	Confident	149 Å²	149	100.8 Å²	100.8	90%	0.903	54%	0.542	S	S	*	.			trans	-70.6	103.3	163.4	-96.5	0	0	0	0	106.6	G85	G85-V87 PolarHBondContact O-N 3.18Å; G85-V87 VanDerWaalsContact O-N 3.09Å
88	Y	45.8	Very low	69	Low	300 Å²	300	109.8 Å²	109.8	100%	1.176	59%	0.591	S	S	*	*			trans	-93.9	0	153.6	-71.4	-88.7	0	0	0	108.1	G86	G86-Y88 PolarHBondContact O-N 3Å

Retrieved 88 of 88 residues in 75.9 ms (Link to these results)

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