A0A087XNK0_POEFO Loading...

Elongin-B

SIII, also known as elongin, is a general transcription elongation factor that increases the RNA polymerase II transcription elongation past template-encoded arresting sites. Subunit A is transcriptionally active and its transcription activity is strongly enhanced by binding to the dimeric complex of the SIII regulatory subunits B and C (elongin BC complex). In embryonic stem cells, the elongin BC complex is recruited by EPOP to Polycomb group (PcG) target genes in order generate genomic region that display both active and repressive chromatin properties, an important feature of pluripotent stem cells.

AlphaFold DB (A0A3P9QJV3), UniProt , Accession A0A087XNK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 119 aa.

						>A0A087XNK0_POEFO|A0A087XNK0
MDVFLMIRRHKTTIFTDAKECTTVYELKRIVEGILKRPPEDQRLYKDDQLLEDSKTLGDCGFTNQTARPQAPATVGLAFRVNDEMFEQLHIEAFSSPPELPDVMKPQDSGSTANEQAVQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	91.6	Very high	97.8	Very high	151 Å²	151	56.1 Å²	56.1	74%	0.744	26%	0.256	S	S	*	.				0	163.4	0	-70.4	-66.4	-172.7	0	0	108.5	K19 E20 N64	M1-K19 CarbonylContact O-C 3.58Å; M1-K19 WeakPolarHBondContact O-CA 3.42Å; M1-E20 WeakPolarHBondContact O-CB 3.39Å; M1-E20 PolarHBondContact O-N 3.03Å; M1-N64 HydrophobicContact CB-CB 3.89Å
2	D	97.4	Very high	97.9	Very high	58 Å²	58	56.3 Å²	56.3	31%	0.31	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.2	174.9	-66.6	-47.2	0	0	0	111.3	F4 A18 K19	D2-F4 HydrophobicContact CB-CE2 4.28Å; D2-A18 WeakPolarHBondContact CA-O 3.43Å; D2-K19 VanDerWaalsContact CG-NZ 3.25Å; D2-K19 WeakPolarHBondContact OD1-CD 3.47Å; D2-K19 WeakPolarHBondContact OD1-CE 3.47Å; D2-K19 IonicContact OD1-NZ 3.04Å; D2-K19 PolarHBondContact OD1-NZ 3.49Å; D2-K19 IonicContact OD2-NZ 3.59Å; D2-K19 PolarHBondContact OD2-NZ 3.23Å
3	V	98.4	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139	173.8	-64.3	0	0	0	0	109.4	L5 D17 A18 E20 L57 T63 A67	V3-L5 HydrophobicContact CG2-CD2 4.39Å; V3-L5 HydrophobicContact CG2-CG 4.47Å; V3-D17 WeakPolarHBondContact O-CA 3.45Å; V3-A18 HydrophobicContact CG2-CB 4.5Å; V3-A18 WeakPolarHBondContact CG2-O 3.28Å; V3-A18 PolarHBondContact N-O 3.12Å; V3-A18 PolarHBondContact O-N 2.67Å; V3-E20 HydrophobicContact CG1-CB 4.17Å; V3-L57 HydrophobicContact CG2-CD1 3.85Å; V3-T63 VanDerWaalsContact CG1-C 3.48Å; V3-A67 HydrophobicContact CB-CB 3.84Å; V3-A67 HydrophobicContact CG1-CB 4.27Å
4	F	98.7	Very high	98	Very high	67 Å²	67	52.3 Å²	52.3	29%	0.294	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.5	-176.5	-63.8	-96.7	0	0	0	109.7	D2 D17 A67 P69 P72 A73	D2-F4 HydrophobicContact CB-CE2 4.28Å; F4-D17 HydrophobicContact CD1-CB 4.01Å; F4-D17 HydrophobicContact CE1-CB 4.03Å; F4-A67 PolarHBondContact N-O 2.83Å; F4-A67 WeakPolarHBondContact O-CB 3.44Å; F4-P69 HydrophobicContact CD1-CB 4.12Å; F4-P69 HydrophobicContact CD1-CG 4.26Å; F4-P69 HydrophobicContact CD2-CB 4.25Å; F4-P69 VanDerWaalsContact CD2-CD 3.43Å; F4-P69 HydrophobicContact CD2-CG 3.68Å; F4-P69 HydrophobicContact CE1-CB 4.17Å; F4-P69 HydrophobicContact CE1-CG 4.05Å; F4-P69 HydrophobicContact CE2-CB 4.33Å; F4-P69 HydrophobicContact CE2-CG 3.46Å; F4-P69 VanDerWaalsContact CE2-CG 3.46Å; F4-P69 HydrophobicContact CG-CB 4.17Å; F4-P69 HydrophobicContact CG-CG 4.1Å; F4-P69 HydrophobicContact CZ-CB 4.29Å; F4-P69 HydrophobicContact CZ-CG 3.66Å; F4-P72 HydrophobicContact CB-CB 4.07Å; F4-P72 CarbonylContact O-C 3.53Å; F4-P72 WeakPolarHBondContact O-CA 3.25Å; F4-P72 VanDerWaalsContact O-CB 3.22Å; F4-P72 WeakPolarHBondContact O-CB 3.44Å; F4-A73 PolarHBondContact O-N 2.66Å
5	L	98.8	Very high	98	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.3	-167.4	-55.3	175.9	0	0	0	111.7	V3 F15 T16 L27 L57 F62 A67 A73 V75	V3-L5 HydrophobicContact CG2-CD2 4.39Å; V3-L5 HydrophobicContact CG2-CG 4.47Å; L5-F15 WeakPolarHBondContact O-CA 3.44Å; L5-T16 HydrophobicContact CB-CG2 4.44Å; L5-T16 PolarHBondContact N-O 3.49Å; L5-T16 PolarHBondContact O-N 2.89Å; L5-T16 VanDerWaalsContact O-N 3.17Å; L5-L27 HydrophobicContact CD1-CD1 3.9Å; L5-L27 HydrophobicContact CD1-CD2 3.77Å; L5-L57 HydrophobicContact CD1-CD1 4.05Å; L5-F62 HydrophobicContact CD2-CB 4.39Å; L5-F62 HydrophobicContact CD2-CD1 4Å; L5-F62 HydrophobicContact CD2-CG 4.2Å; L5-A67 HydrophobicContact CD2-CB 4.47Å; L5-A73 CarbonylContact C-O 3.52Å; L5-A73 WeakPolarHBondContact CA-O 3.38Å; L5-A73 HydrophobicContact CD2-CB 4.2Å; L5-V75 HydrophobicContact CB-CG2 4.41Å; L5-V75 HydrophobicContact CD1-CG2 4.29Å; L5-V75 HydrophobicContact CD2-CG2 4.09Å; L5-V75 HydrophobicContact CG-CG2 4.5Å
6	M	98.7	Very high	98.1	Very high	27 Å²	27	56.4 Å²	56.4	13%	0.133	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	102.7	162.7	-73.9	-177.2	-61.8	0	0	108.5	R8 T13 I14 F15 P72 A73 T74 V75	M6-R8 HydrophobicContact CB-CG 4.13Å; M6-T13 HydrophobicContact CB-CG2 4.17Å; M6-T13 HydrophobicContact CG-CG2 4.19Å; M6-T13 HydrophobicContact SD-CG2 4.46Å; M6-I14 CarbonylContact C-O 3.59Å; M6-I14 WeakPolarHBondContact CA-O 3.04Å; M6-F15 HydrophobicContact CG-CD1 3.77Å; M6-F15 HydrophobicContact CG-CE1 3.34Å; M6-F15 HydrophobicContact CG-CE2 4.35Å; M6-F15 HydrophobicContact CG-CG 4.45Å; M6-F15 HydrophobicContact CG-CZ 3.67Å; M6-F15 HydrophobicContact SD-CE1 3.57Å; M6-F15 VanDerWaalsContact SD-CE1 3.57Å; M6-F15 HydrophobicContact SD-CE2 4.49Å; M6-F15 HydrophobicContact SD-CZ 3.52Å; M6-F15 VanDerWaalsContact SD-CZ 3.52Å; M6-P72 HydrophobicContact CE-CG 3.94Å; M6-P72 WeakPolarHBondContact CE-O 3.49Å; M6-P72 HydrophobicContact CG-CB 4.09Å; M6-P72 HydrophobicContact CG-CG 3.71Å; M6-P72 HydrophobicContact SD-CG 3.92Å; M6-A73 PolarHBondContact N-O 2.82Å; M6-T74 WeakPolarHBondContact O-CA 3.47Å; M6-V75 PolarHBondContact O-N 2.89Å
7	I	98.8	Very high	98.1	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.6	173.7	-50.1	176.7	0	0	0	108	T13 I14 T16 L27 V31 V75 L77	I7-T13 CarbonylContact O-C 3.6Å; I7-T13 WeakPolarHBondContact O-CA 3.46Å; I7-I14 HydrophobicContact CB-CB 4.29Å; I7-I14 PolarHBondContact N-O 3.18Å; I7-I14 PolarHBondContact O-N 2.73Å; I7-T16 HydrophobicContact CD1-CG2 3.93Å; I7-T16 HydrophobicContact CG1-CG2 4.39Å; I7-L27 HydrophobicContact CD1-CD1 3.87Å; I7-L27 HydrophobicContact CD1-CG 4.22Å; I7-V31 HydrophobicContact CD1-CG2 3.5Å; I7-V31 HydrophobicContact CG2-CG2 4.09Å; I7-V75 CarbonylContact C-O 3.6Å; I7-V75 WeakPolarHBondContact CA-O 3.33Å; I7-V75 HydrophobicContact CG1-CB 4.31Å; I7-L77 HydrophobicContact CG2-CB 3.9Å; I7-L77 HydrophobicContact CG2-CD2 4.18Å
8	R	98.8	Very high	98.1	Very high	27 Å²	27	55.3 Å²	55.3	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.2	-168.4	-56.6	-169.7	72.7	-142.9	-9.2	112.4	M6 T12 T13 T74 V75 L77 I91 E92	M6-R8 HydrophobicContact CB-CG 4.13Å; R8-T12 WeakPolarHBondContact CA-O 3.4Å; R8-T13 HydrophobicContact CG-CG2 4.02Å; R8-T13 PolarHBondContact NE-OG1 3.05Å; R8-T13 VanDerWaalsContact NE-OG1 3.15Å; R8-T74 HydrophobicContact CB-CG2 4.47Å; R8-T74 HydrophobicContact CG-CG2 4.13Å; R8-V75 PolarHBondContact N-O 3.38Å; R8-L77 PolarHBondContact O-N 3.3Å; R8-I91 HydrophobicContact CB-CD1 4.23Å; R8-I91 HydrophobicContact CB-CG1 4.3Å; R8-I91 HydrophobicContact CB-CG2 3.97Å; R8-I91 VanDerWaalsContact NH1-CG2 3.27Å; R8-E92 PolarHBondContact NH2-O 3.12Å
9	R	98.4	Very high	98.1	Very high	54 Å²	54	57.7 Å²	57.7	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	124.8	177	170.9	178.7	178	-71.4	-9.9	109.4	K11 T12 L77 E87	R9-K11 PolarHBondContact O-N 3.21Å; R9-K11 VanDerWaalsContact O-N 3.12Å; R9-T12 PolarHBondContact N-O 3.26Å; R9-T12 WeakPolarHBondContact O-CA 3.24Å; R9-T12 VanDerWaalsContact O-CB 3.28Å; R9-T12 WeakPolarHBondContact O-CB 3.46Å; R9-T12 PolarHBondContact O-N 3.09Å; R9-L77 HydrophobicContact CB-CB 4.03Å; R9-L77 HydrophobicContact CB-CD2 4.21Å; R9-L77 HydrophobicContact CB-CG 4.21Å; R9-L77 WeakPolarHBondContact CB-O 3.41Å; R9-L77 WeakPolarHBondContact CG-O 3.26Å; R9-E87 IonicContact CZ-OE1 3.21Å; R9-E87 IonicContact CZ-OE2 2.78Å; R9-E87 IonicContact NE-OE1 2.78Å; R9-E87 PolarHBondContact NE-OE1 2.75Å; R9-E87 IonicContact NE-OE2 3.35Å; R9-E87 IonicContact NH2-OE1 2.66Å; R9-E87 PolarHBondContact NH2-OE1 3.33Å; R9-E87 IonicContact NH2-OE2 3.79Å; R9-E87 PolarHBondContact NH2-OE2 3.19Å
10	H	97.9	Very high	98.1	Very high	64 Å²	64	57.3 Å²	57.3	30%	0.296	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	45	-117.7	-171.1	-62.4	-92.3	0	0	0	110.7	E87 H90 E92	H10-E87 IonicContact NE2-OE2 3.7Å; H10-H90 WeakPolarHBondContact CA-O 3.39Å; H10-H90 AromaticContact CE1-ND1 3.76Å; H10-H90 AromaticContact CG-ND1 3.92Å; H10-H90 PolarHBondContact N-O 2.9Å; H10-H90 AromaticContact ND1-ND1 3.17Å; H10-H90 PolarHBondContact ND1-ND1 3.48Å; H10-H90 VanDerWaalsContact ND1-ND1 3.17Å; H10-E92 WeakPolarHBondContact O-CB 3.29Å; H10-E92 PolarHBondContact O-N 2.81Å
11	K	98.4	Very high	98.1	Very high	165 Å²	165	59 Å²	59	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3.5	177.3	-64.4	-175.8	176.6	-177.6	0	113.7	R9 E92	R9-K11 PolarHBondContact O-N 3.21Å; R9-K11 VanDerWaalsContact O-N 3.12Å; K11-E92 VanDerWaalsContact CE-CD 3.47Å; K11-E92 WeakPolarHBondContact CE-OE1 3.18Å; K11-E92 HydrophobicContact CG-CB 3.86Å; K11-E92 HydrophobicContact CG-CG 4.04Å; K11-E92 IonicContact NZ-OE1 3.52Å
12	T	98.5	Very high	98.4	Very high	58 Å²	58	52.9 Å²	52.9	36%	0.356	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.5	177.4	-56	0	0	0	0	110.1	R8 R9 I14	R8-T12 WeakPolarHBondContact CA-O 3.4Å; R9-T12 PolarHBondContact N-O 3.26Å; R9-T12 WeakPolarHBondContact O-CA 3.24Å; R9-T12 VanDerWaalsContact O-CB 3.28Å; R9-T12 WeakPolarHBondContact O-CB 3.46Å; R9-T12 PolarHBondContact O-N 3.09Å; T12-I14 HydrophobicContact CG2-CG1 4.34Å
13	T	98.7	Very high	98.5	Very high	38 Å²	38	51.8 Å²	51.8	23%	0.233	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121.5	171.4	-64.2	0	0	0	0	108.5	M6 I7 R8 F15	M6-T13 HydrophobicContact CB-CG2 4.17Å; M6-T13 HydrophobicContact CG-CG2 4.19Å; M6-T13 HydrophobicContact SD-CG2 4.46Å; I7-T13 CarbonylContact O-C 3.6Å; I7-T13 WeakPolarHBondContact O-CA 3.46Å; R8-T13 HydrophobicContact CG-CG2 4.02Å; R8-T13 PolarHBondContact NE-OG1 3.05Å; R8-T13 VanDerWaalsContact NE-OG1 3.15Å; T13-F15 HydrophobicContact CG2-CD2 4.15Å; T13-F15 HydrophobicContact CG2-CE2 3.67Å; T13-F15 HydrophobicContact CG2-CZ 4.24Å
14	I	98.7	Very high	98.5	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124	176.9	-61.3	167.7	0	0	0	107.7	M6 I7 T12 I34 L35	M6-I14 CarbonylContact C-O 3.59Å; M6-I14 WeakPolarHBondContact CA-O 3.04Å; I7-I14 HydrophobicContact CB-CB 4.29Å; I7-I14 PolarHBondContact N-O 3.18Å; I7-I14 PolarHBondContact O-N 2.73Å; T12-I14 HydrophobicContact CG2-CG1 4.34Å; I14-I34 HydrophobicContact CD1-CB 4.32Å; I14-I34 HydrophobicContact CD1-CD1 4.23Å; I14-I34 HydrophobicContact CD1-CG2 3.88Å; I14-I34 HydrophobicContact CG1-CG2 4.45Å; I14-I34 HydrophobicContact CG2-CD1 3.62Å; I14-L35 HydrophobicContact CD1-CD1 3.83Å; I14-L35 HydrophobicContact CD1-CD2 4.22Å; I14-L35 HydrophobicContact CD1-CG 3.88Å
15	F	98.6	Very high	98.5	Very high	140 Å²	140	52.8 Å²	52.8	61%	0.614	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.7	168.6	-72.4	-96.4	0	0	0	109	L5 M6 T13 P72	L5-F15 WeakPolarHBondContact O-CA 3.44Å; M6-F15 HydrophobicContact CG-CD1 3.77Å; M6-F15 HydrophobicContact CG-CE1 3.34Å; M6-F15 HydrophobicContact CG-CE2 4.35Å; M6-F15 HydrophobicContact CG-CG 4.45Å; M6-F15 HydrophobicContact CG-CZ 3.67Å; M6-F15 HydrophobicContact SD-CE1 3.57Å; M6-F15 VanDerWaalsContact SD-CE1 3.57Å; M6-F15 HydrophobicContact SD-CE2 4.49Å; M6-F15 HydrophobicContact SD-CZ 3.52Å; M6-F15 VanDerWaalsContact SD-CZ 3.52Å; T13-F15 HydrophobicContact CG2-CD2 4.15Å; T13-F15 HydrophobicContact CG2-CE2 3.67Å; T13-F15 HydrophobicContact CG2-CZ 4.24Å; F15-P72 HydrophobicContact CD1-CG 4.19Å; F15-P72 HydrophobicContact CE1-CG 3.8Å
16	T	98.6	Very high	98.5	Very high	31 Å²	31	57.2 Å²	57.2	19%	0.19	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.4	177.7	-166.4	0	0	0	0	109.5	L5 I7	L5-T16 HydrophobicContact CB-CG2 4.44Å; L5-T16 PolarHBondContact N-O 3.49Å; L5-T16 PolarHBondContact O-N 2.89Å; L5-T16 VanDerWaalsContact O-N 3.17Å; I7-T16 HydrophobicContact CD1-CG2 3.93Å; I7-T16 HydrophobicContact CG1-CG2 4.39Å
17	D	98.3	Very high	98.5	Very high	86 Å²	86	55.9 Å²	55.9	46%	0.46	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.9	169.7	62.5	-81.3	0	0	0	110.8	V3 F4	V3-D17 WeakPolarHBondContact O-CA 3.45Å; F4-D17 HydrophobicContact CD1-CB 4.01Å; F4-D17 HydrophobicContact CE1-CB 4.03Å
18	A	98.3	Very high	98.6	Very high	7 Å²	7	56.4 Å²	56.4	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	167.1	173.8	0	0	0	0	0	109.5	D2 V3 T22 L57	D2-A18 WeakPolarHBondContact CA-O 3.43Å; V3-A18 HydrophobicContact CG2-CB 4.5Å; V3-A18 WeakPolarHBondContact CG2-O 3.28Å; V3-A18 PolarHBondContact N-O 3.12Å; V3-A18 PolarHBondContact O-N 2.67Å; A18-T22 HydrophobicContact CB-CG2 4.33Å; A18-L57 HydrophobicContact CB-CD1 3.61Å
19	K	98.4	Very high	98.6	Very high	101 Å²	101	60.3 Å²	60.3	44%	0.439	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	144.7	170.5	-59	-70.7	166.9	-163.4	0	108.5	M1 D2 C21 T22	M1-K19 CarbonylContact O-C 3.58Å; M1-K19 WeakPolarHBondContact O-CA 3.42Å; D2-K19 VanDerWaalsContact CG-NZ 3.25Å; D2-K19 WeakPolarHBondContact OD1-CD 3.47Å; D2-K19 WeakPolarHBondContact OD1-CE 3.47Å; D2-K19 IonicContact OD1-NZ 3.04Å; D2-K19 PolarHBondContact OD1-NZ 3.49Å; D2-K19 IonicContact OD2-NZ 3.59Å; D2-K19 PolarHBondContact OD2-NZ 3.23Å; K19-C21 PolarHBondContact O-N 3.43Å; K19-C21 VanDerWaalsContact O-N 3.15Å; K19-T22 PolarHBondContact N-OG1 3.09Å; K19-T22 WeakPolarHBondContact O-CB 3.34Å; K19-T22 PolarHBondContact O-N 3.35Å; K19-T22 PolarHBondContact O-OG1 2.92Å; K19-T22 VanDerWaalsContact O-OG1 3.11Å
20	E	97.9	Very high	98.6	Very high	49 Å²	49	60.4 Å²	60.4	23%	0.229	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30	173.6	-174	170.7	175.5	0	0	112.7	M1 V3 T22 L57 G58	M1-E20 WeakPolarHBondContact O-CB 3.39Å; M1-E20 PolarHBondContact O-N 3.03Å; V3-E20 HydrophobicContact CG1-CB 4.17Å; E20-T22 VanDerWaalsContact C-N 3.34Å; E20-L57 PolarHBondContact O-N 2.87Å; E20-G58 PolarHBondContact O-N 2.99Å
21	C	98.3	Very high	98.6	Very high	94 Å²	94	57.4 Å²	57.4	64%	0.635	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.5	175.1	63.7	0	0	0	0	114.3	K19	K19-C21 PolarHBondContact O-N 3.43Å; K19-C21 VanDerWaalsContact O-N 3.15Å
22	T	98.7	Very high	98.6	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.135	26%	0.26	C	S	.	.			trans	-62.9	140.5	172.9	-63.3	0	0	0	0	108.8	A18 K19 E20 E26 T56 L57	A18-T22 HydrophobicContact CB-CG2 4.33Å; K19-T22 PolarHBondContact N-OG1 3.09Å; K19-T22 WeakPolarHBondContact O-CB 3.34Å; K19-T22 PolarHBondContact O-N 3.35Å; K19-T22 PolarHBondContact O-OG1 2.92Å; K19-T22 VanDerWaalsContact O-OG1 3.11Å; E20-T22 VanDerWaalsContact C-N 3.34Å; T22-E26 WeakPolarHBondContact CA-OE2 3.46Å; T22-E26 HydrophobicContact CG2-CB 3.53Å; T22-T56 CarbonylContact O-C 2.94Å; T22-T56 VanDerWaalsContact O-CA 3.27Å; T22-T56 WeakPolarHBondContact O-CA 3.46Å; T22-L57 WeakPolarHBondContact O-CG 3.45Å; T22-L57 PolarHBondContact O-N 2.76Å
23	T	98.8	Very high	98.6	Very high	34 Å²	34	51.5 Å²	51.5	21%	0.209	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-81.6	158.8	177.7	60.1	0	0	0	0	111.8	Y25 E26 L27 K55	T23-Y25 PolarHBondContact O-N 3.03Å; T23-E26 PolarHBondContact N-OE2 3.2Å; T23-E26 PolarHBondContact O-N 3.37Å; T23-E26 WeakPolarHBondContact OG1-CB 3.43Å; T23-E26 VanDerWaalsContact OG1-CD 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.5Å; T23-E26 PolarHBondContact OG1-N 3.03Å; T23-E26 PolarHBondContact OG1-OE2 3.46Å; T23-L27 PolarHBondContact O-N 2.87Å; T23-K55 CarbonylContact C-O 3.49Å; T23-K55 VanDerWaalsContact CA-O 3.32Å; T23-K55 WeakPolarHBondContact CA-O 3.22Å
24	V	98.9	Very high	98.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-37.7	172.1	171.9	0	0	0	0	110.8	L27 K28 L44 L51 E52 K55	V24-L27 PolarHBondContact O-N 3.05Å; V24-K28 WeakPolarHBondContact O-CG 3.12Å; V24-K28 PolarHBondContact O-N 2.91Å; V24-L44 HydrophobicContact CG1-CB 4.31Å; V24-L44 HydrophobicContact CG1-CD1 4.12Å; V24-L51 HydrophobicContact CG1-CB 3.87Å; V24-L51 HydrophobicContact CG2-CB 3.85Å; V24-L51 HydrophobicContact CG2-CD1 4.28Å; V24-E52 WeakPolarHBondContact CB-O 3.3Å; V24-E52 WeakPolarHBondContact CG2-O 3.32Å; V24-K55 WeakPolarHBondContact CG2-O 3.17Å; V24-K55 PolarHBondContact N-O 3.33Å
25	Y	98.8	Very high	98.6	Very high	88 Å²	88	55.5 Å²	55.5	35%	0.345	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-44.4	175.1	-173	-94.6	0	0	0	113	T23 L27 K28 R29 P39 D53	T23-Y25 PolarHBondContact O-N 3.03Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 2.96Å; Y25-K28 WeakPolarHBondContact O-CB 3.27Å; Y25-K28 PolarHBondContact O-N 3.48Å; Y25-R29 HydrophobicContact CD1-CG 4.45Å; Y25-R29 HydrophobicContact CE1-CG 4.18Å; Y25-R29 PolarHBondContact O-N 3.38Å; Y25-R29 VanDerWaalsContact O-N 3.11Å; Y25-R29 PolarHBondContact OH-NH2 3.04Å; Y25-P39 HydrophobicContact CD2-CB 4.18Å; Y25-P39 HydrophobicContact CE2-CB 3.73Å; Y25-P39 HydrophobicContact CE2-CG 4.24Å; Y25-D53 HydrophobicContact CD2-CB 4.37Å; Y25-D53 PolarHBondContact N-O 3.28Å; Y25-D53 VanDerWaalsContact N-O 3.15Å
26	E	98.8	Very high	98.5	Very high	94 Å²	94	56.3 Å²	56.3	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-36.8	175.9	-72.8	165.2	146.6	0	0	111.7	T22 T23 K28 R29 I30	T22-E26 WeakPolarHBondContact CA-OE2 3.46Å; T22-E26 HydrophobicContact CG2-CB 3.53Å; T23-E26 PolarHBondContact N-OE2 3.2Å; T23-E26 PolarHBondContact O-N 3.37Å; T23-E26 WeakPolarHBondContact OG1-CB 3.43Å; T23-E26 VanDerWaalsContact OG1-CD 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.5Å; T23-E26 PolarHBondContact OG1-N 3.03Å; T23-E26 PolarHBondContact OG1-OE2 3.46Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.89Å; E26-R29 WeakPolarHBondContact O-CB 3.39Å; E26-R29 PolarHBondContact O-N 3.16Å; E26-I30 PolarHBondContact O-N 2.87Å; E26-I30 VanDerWaalsContact O-N 3.14Å
27	L	98.9	Very high	98.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-39.1	172.7	-174	61	0	0	0	111.6	L5 I7 T23 V24 Y25 R29 I30 V31 L44 L57 V75	L5-L27 HydrophobicContact CD1-CD1 3.9Å; L5-L27 HydrophobicContact CD1-CD2 3.77Å; I7-L27 HydrophobicContact CD1-CD1 3.87Å; I7-L27 HydrophobicContact CD1-CG 4.22Å; T23-L27 PolarHBondContact O-N 2.87Å; V24-L27 PolarHBondContact O-N 3.05Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 2.96Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 2.94Å; L27-I30 HydrophobicContact CD1-CD1 4.12Å; L27-I30 WeakPolarHBondContact O-CB 3.48Å; L27-I30 PolarHBondContact O-N 3.15Å; L27-I30 VanDerWaalsContact O-N 3.14Å; L27-V31 PolarHBondContact O-N 2.67Å; L27-V31 VanDerWaalsContact O-N 3.08Å; L27-L44 HydrophobicContact CB-CD1 4.11Å; L27-L44 HydrophobicContact CD2-CD1 3.83Å; L27-L44 HydrophobicContact CG-CD1 3.92Å; L27-L57 HydrophobicContact CB-CD2 4.45Å; L27-L57 HydrophobicContact CD2-CD2 3.69Å; L27-V75 HydrophobicContact CD2-CG1 4.45Å; L27-V75 HydrophobicContact CD2-CG2 4.46Å
28	K	98.9	Very high	98.5	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-32.5	172.3	-69.1	174	169.6	-173.5	0	112.9	V24 Y25 E26 V31 E32 P39 Q42 L44 D53	V24-K28 WeakPolarHBondContact O-CG 3.12Å; V24-K28 PolarHBondContact O-N 2.91Å; Y25-K28 WeakPolarHBondContact O-CB 3.27Å; Y25-K28 PolarHBondContact O-N 3.48Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.89Å; K28-V31 WeakPolarHBondContact O-CB 3.43Å; K28-V31 PolarHBondContact O-N 3.11Å; K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 PolarHBondContact O-N 3.38Å; K28-P39 HydrophobicContact CB-CB 3.76Å; K28-P39 HydrophobicContact CB-CG 4.17Å; K28-P39 HydrophobicContact CD-CB 4.02Å; K28-P39 WeakPolarHBondContact CD-O 3.33Å; K28-P39 PolarHBondContact NZ-O 2.89Å; K28-Q42 HydrophobicContact CD-CB 4.15Å; K28-Q42 WeakPolarHBondContact CE-O 2.95Å; K28-Q42 HydrophobicContact CG-CB 4.1Å; K28-Q42 PolarHBondContact NZ-O 2.86Å; K28-Q42 PolarHBondContact O-NE2 2.88Å; K28-Q42 PolarHBondContact O-OE1 3.4Å; K28-L44 HydrophobicContact CG-CD1 3.66Å; K28-L44 HydrophobicContact CG-CG 3.89Å; K28-D53 WeakPolarHBondContact CE-OD1 3.42Å; K28-D53 IonicContact NZ-OD1 2.65Å; K28-D53 PolarHBondContact NZ-OD1 2.99Å; K28-D53 IonicContact NZ-OD2 2.67Å; K28-D53 PolarHBondContact NZ-OD2 2.89Å
29	R	98.8	Very high	98.5	Very high	110 Å²	110	56.2 Å²	56.2	42%	0.415	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-35.5	173	-68.7	-68.4	-173.5	175.4	-1.3	112.3	Y25 E26 L27 E32 G33 P39	Y25-R29 HydrophobicContact CD1-CG 4.45Å; Y25-R29 HydrophobicContact CE1-CG 4.18Å; Y25-R29 PolarHBondContact O-N 3.38Å; Y25-R29 VanDerWaalsContact O-N 3.11Å; Y25-R29 PolarHBondContact OH-NH2 3.04Å; E26-R29 WeakPolarHBondContact O-CB 3.39Å; E26-R29 PolarHBondContact O-N 3.16Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 2.94Å; R29-E32 WeakPolarHBondContact CD-OE2 3.48Å; R29-E32 IonicContact CZ-OE2 3.64Å; R29-E32 IonicContact NE-OE2 3.78Å; R29-E32 IonicContact NH1-OE1 3.37Å; R29-E32 PolarHBondContact NH1-OE1 2.77Å; R29-E32 IonicContact NH1-OE2 2.75Å; R29-E32 PolarHBondContact NH1-OE2 3.15Å; R29-E32 WeakPolarHBondContact O-CB 3.22Å; R29-E32 PolarHBondContact O-N 2.82Å; R29-G33 PolarHBondContact O-N 3.36Å; R29-P39 HydrophobicContact CG-CG 4.12Å
30	I	98.6	Very high	98.5	Very high	56 Å²	56	56.6 Å²	56.6	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-46.6	171.5	-61.6	171.6	0	0	0	109.8	E26 L27 E32 G33 I34	E26-I30 PolarHBondContact O-N 2.87Å; E26-I30 VanDerWaalsContact O-N 3.14Å; L27-I30 HydrophobicContact CD1-CD1 4.12Å; L27-I30 WeakPolarHBondContact O-CB 3.48Å; L27-I30 PolarHBondContact O-N 3.15Å; L27-I30 VanDerWaalsContact O-N 3.14Å; I30-E32 VanDerWaalsContact C-N 3.34Å; I30-E32 PolarHBondContact O-N 3.19Å; I30-G33 PolarHBondContact O-N 2.93Å; I30-I34 HydrophobicContact CG2-CD1 4.31Å; I30-I34 PolarHBondContact O-N 2.84Å
31	V	98.7	Very high	98.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-41.6	175.8	175.6	0	0	0	0	111.7	I7 L27 K28 G33 I34 L35 Q42 L77 F79	I7-V31 HydrophobicContact CD1-CG2 3.5Å; I7-V31 HydrophobicContact CG2-CG2 4.09Å; L27-V31 PolarHBondContact O-N 2.67Å; L27-V31 VanDerWaalsContact O-N 3.08Å; K28-V31 WeakPolarHBondContact O-CB 3.43Å; K28-V31 PolarHBondContact O-N 3.11Å; V31-G33 VanDerWaalsContact C-N 3.32Å; V31-G33 PolarHBondContact O-N 3.15Å; V31-I34 PolarHBondContact O-N 2.96Å; V31-I34 VanDerWaalsContact O-N 3.12Å; V31-L35 HydrophobicContact CG1-CB 4.44Å; V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 HydrophobicContact CG1-CG 4.43Å; V31-L35 PolarHBondContact O-N 2.82Å; V31-Q42 VanDerWaalsContact CB-OE1 3.26Å; V31-Q42 VanDerWaalsContact CG1-OE1 3.27Å; V31-L77 HydrophobicContact CG1-CD1 4.34Å; V31-L77 HydrophobicContact CG1-CD2 3.74Å; V31-F79 HydrophobicContact CG1-CE1 4.47Å
32	E	98.8	Very high	98.5	Very high	54 Å²	54	51.4 Å²	51.4	25%	0.252	25%	0.25	S	S	.	.	H	α-helix	trans	-58.4	-44.6	174.7	176.7	-175.7	-134.8	0	0	111	K28 R29 I30 I34 K36 R37 P38	K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 PolarHBondContact O-N 3.38Å; R29-E32 WeakPolarHBondContact CD-OE2 3.48Å; R29-E32 IonicContact CZ-OE2 3.64Å; R29-E32 IonicContact NE-OE2 3.78Å; R29-E32 IonicContact NH1-OE1 3.37Å; R29-E32 PolarHBondContact NH1-OE1 2.77Å; R29-E32 IonicContact NH1-OE2 2.75Å; R29-E32 PolarHBondContact NH1-OE2 3.15Å; R29-E32 WeakPolarHBondContact O-CB 3.22Å; R29-E32 PolarHBondContact O-N 2.82Å; I30-E32 VanDerWaalsContact C-N 3.34Å; I30-E32 PolarHBondContact O-N 3.19Å; E32-I34 PolarHBondContact O-N 2.84Å; E32-I34 VanDerWaalsContact O-N 3.15Å; E32-K36 WeakPolarHBondContact O-CA 3.38Å; E32-K36 PolarHBondContact O-N 2.98Å; E32-R37 VanDerWaalsContact CA-O 3.29Å; E32-R37 WeakPolarHBondContact CA-O 3.46Å; E32-R37 VanDerWaalsContact CB-O 3.23Å; E32-R37 WeakPolarHBondContact CB-O 3.42Å; E32-R37 WeakPolarHBondContact CG-O 3.48Å; E32-P38 WeakPolarHBondContact OE1-CA 3.39Å
33	G	98.6	Very high	98.5	Very high	44 Å²	44	54.7 Å²	54.7	45%	0.454	26%	0.26	S	S	.	.	H	α-helix	trans	-55.8	-30.8	176.4	0	0	0	0	0	113.5	R29 I30 V31 K36	R29-G33 PolarHBondContact O-N 3.36Å; I30-G33 PolarHBondContact O-N 2.93Å; V31-G33 VanDerWaalsContact C-N 3.32Å; V31-G33 PolarHBondContact O-N 3.15Å; G33-K36 WeakPolarHBondContact O-CE 3.35Å; G33-K36 PolarHBondContact O-NZ 2.96Å
34	I	98.4	Very high	98.5	Very high	88 Å²	88	53 Å²	53	45%	0.451	25%	0.25	S	S	.	.	H	α-helix	trans	-96.4	-54.2	-176.4	-59.8	168.2	0	0	0	111.6	I14 I30 V31 E32	I14-I34 HydrophobicContact CD1-CB 4.32Å; I14-I34 HydrophobicContact CD1-CD1 4.23Å; I14-I34 HydrophobicContact CD1-CG2 3.88Å; I14-I34 HydrophobicContact CG1-CG2 4.45Å; I14-I34 HydrophobicContact CG2-CD1 3.62Å; I30-I34 HydrophobicContact CG2-CD1 4.31Å; I30-I34 PolarHBondContact O-N 2.84Å; V31-I34 PolarHBondContact O-N 2.96Å; V31-I34 VanDerWaalsContact O-N 3.12Å; E32-I34 PolarHBondContact O-N 2.84Å; E32-I34 VanDerWaalsContact O-N 3.15Å
35	L	98	Very high	98.5	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.277	26%	0.255	S	S	.	.	H	α-helix	trans	-97.3	-2	-171.3	-60.4	-176.9	0	0	0	113.8	I14 V31 R37 L77 F79	I14-L35 HydrophobicContact CD1-CD1 3.83Å; I14-L35 HydrophobicContact CD1-CD2 4.22Å; I14-L35 HydrophobicContact CD1-CG 3.88Å; V31-L35 HydrophobicContact CG1-CB 4.44Å; V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 HydrophobicContact CG1-CG 4.43Å; V31-L35 PolarHBondContact O-N 2.82Å; L35-R37 PolarHBondContact O-N 2.85Å; L35-L77 HydrophobicContact CD1-CD2 3.75Å; L35-F79 HydrophobicContact CB-CZ 3.97Å; L35-F79 HydrophobicContact CD1-CE2 4.27Å; L35-F79 HydrophobicContact CD1-CZ 3.67Å; L35-F79 HydrophobicContact CG-CZ 4.49Å
36	K	97.9	Very high	98.5	Very high	158 Å²	158	52.9 Å²	52.9	69%	0.687	25%	0.251	S	S	*	.			trans	58	31.9	173.9	-46.7	-54.6	-176.8	-173.8	0	113.8	E32 G33	E32-K36 WeakPolarHBondContact O-CA 3.38Å; E32-K36 PolarHBondContact O-N 2.98Å; G33-K36 WeakPolarHBondContact O-CE 3.35Å; G33-K36 PolarHBondContact O-NZ 2.96Å
37	R	98	Very high	98.3	Very high	86 Å²	86	53.9 Å²	53.9	33%	0.325	26%	0.259	S	S	.	.			trans	-110.9	129.2	171.7	-65.5	-59.9	-60.4	-154.2	-3.2	108.8	E32 L35 D41 Q42 F79 R80	E32-R37 VanDerWaalsContact CA-O 3.29Å; E32-R37 WeakPolarHBondContact CA-O 3.46Å; E32-R37 VanDerWaalsContact CB-O 3.23Å; E32-R37 WeakPolarHBondContact CB-O 3.42Å; E32-R37 WeakPolarHBondContact CG-O 3.48Å; L35-R37 PolarHBondContact O-N 2.85Å; R37-D41 IonicContact CZ-OD2 3.54Å; R37-D41 IonicContact NE-OD2 3.81Å; R37-D41 IonicContact NH2-OD2 3.42Å; R37-D41 PolarHBondContact NH2-OD2 2.83Å; R37-Q42 PolarHBondContact O-NE2 3.05Å; R37-F79 HydrophobicContact CB-CD1 4.05Å; R37-F79 HydrophobicContact CB-CE1 3.63Å; R37-F79 HydrophobicContact CB-CZ 3.91Å; R37-F79 HydrophobicContact CG-CD1 4.04Å; R37-F79 HydrophobicContact CG-CD2 4.06Å; R37-F79 HydrophobicContact CG-CE1 3.73Å; R37-F79 HydrophobicContact CG-CE2 3.74Å; R37-F79 HydrophobicContact CG-CG 4.21Å; R37-F79 HydrophobicContact CG-CZ 3.57Å; R37-R80 PolarHBondContact NH2-O 3.14Å; R37-R80 VanDerWaalsContact NH2-O 3.09Å
38	P	98.1	Very high	98	Very high	35 Å²	35	61 Å²	61	23%	0.227	30%	0.297	C	S	.	.			trans	-73.6	156.4	-175.4	35.1	-39.2	0	0	0	111.3	E32 E40 D41 Q42	E32-P38 WeakPolarHBondContact OE1-CA 3.39Å; P38-E40 VanDerWaalsContact C-N 3.27Å; P38-E40 VanDerWaalsContact CB-CD 3.47Å; P38-E40 HydrophobicContact CB-CG 4.43Å; P38-E40 VanDerWaalsContact CB-OE1 3.26Å; P38-E40 WeakPolarHBondContact CB-OE1 3.26Å; P38-E40 HydrophobicContact CG-CG 4.18Å; P38-E40 WeakPolarHBondContact CG-OE1 3.08Å; P38-E40 PolarHBondContact O-N 3.11Å; P38-E40 VanDerWaalsContact O-N 3.17Å; P38-D41 HydrophobicContact CG-CB 4.16Å; P38-D41 WeakPolarHBondContact O-CB 3.45Å; P38-D41 PolarHBondContact O-N 3.26Å; P38-Q42 WeakPolarHBondContact O-CG 3.49Å
39	P	98.4	Very high	98	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-54.9	-34.1	-173.1	-29.4	36.7	0	0	0	116	Y25 K28 R29 D41 Q42	Y25-P39 HydrophobicContact CD2-CB 4.18Å; Y25-P39 HydrophobicContact CE2-CB 3.73Å; Y25-P39 HydrophobicContact CE2-CG 4.24Å; K28-P39 HydrophobicContact CB-CB 3.76Å; K28-P39 HydrophobicContact CB-CG 4.17Å; K28-P39 HydrophobicContact CD-CB 4.02Å; K28-P39 WeakPolarHBondContact CD-O 3.33Å; K28-P39 PolarHBondContact NZ-O 2.89Å; R29-P39 HydrophobicContact CG-CG 4.12Å; P39-D41 PolarHBondContact O-N 2.85Å; P39-Q42 PolarHBondContact O-N 2.93Å
40	E	97.5	Very high	98	Very high	110 Å²	110	65.1 Å²	65.1	51%	0.514	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.1	-19.9	176.8	59.8	-88.7	-158.1	0	0	113.6	P38 R80 F86	P38-E40 VanDerWaalsContact C-N 3.27Å; P38-E40 VanDerWaalsContact CB-CD 3.47Å; P38-E40 HydrophobicContact CB-CG 4.43Å; P38-E40 VanDerWaalsContact CB-OE1 3.26Å; P38-E40 WeakPolarHBondContact CB-OE1 3.26Å; P38-E40 HydrophobicContact CG-CG 4.18Å; P38-E40 WeakPolarHBondContact CG-OE1 3.08Å; P38-E40 PolarHBondContact O-N 3.11Å; P38-E40 VanDerWaalsContact O-N 3.17Å; E40-R80 PolarHBondContact O-NH2 3.38Å; E40-F86 WeakPolarHBondContact O-CZ 3.37Å
41	D	98.3	Very high	98	Very high	31 Å²	31	63.1 Å²	63.1	17%	0.166	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-97.8	8.1	176.4	-80.6	-2.4	0	0	0	112.7	R37 P38 P39 F79 R80	R37-D41 IonicContact CZ-OD2 3.54Å; R37-D41 IonicContact NE-OD2 3.81Å; R37-D41 IonicContact NH2-OD2 3.42Å; R37-D41 PolarHBondContact NH2-OD2 2.83Å; P38-D41 HydrophobicContact CG-CB 4.16Å; P38-D41 WeakPolarHBondContact O-CB 3.45Å; P38-D41 PolarHBondContact O-N 3.26Å; P39-D41 PolarHBondContact O-N 2.85Å; D41-F79 CarbonylContact O-C 3.52Å; D41-F79 VanDerWaalsContact O-CA 3.25Å; D41-F79 WeakPolarHBondContact O-CA 3.45Å; D41-R80 HydrophobicContact CB-CB 3.97Å; D41-R80 PolarHBondContact O-N 3.14Å; D41-R80 VanDerWaalsContact OD1-CD 3.24Å; D41-R80 WeakPolarHBondContact OD1-CD 3.23Å; D41-R80 IonicContact OD1-CZ 3.26Å; D41-R80 IonicContact OD1-NE 3.98Å; D41-R80 PolarHBondContact OD1-NE 2.96Å
42	Q	98.6	Very high	98	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.009	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.6	-178.7	-53.6	-178.8	27.9	0	0	111.3	K28 V31 R37 P38 P39 L77 F79	K28-Q42 HydrophobicContact CD-CB 4.15Å; K28-Q42 WeakPolarHBondContact CE-O 2.95Å; K28-Q42 HydrophobicContact CG-CB 4.1Å; K28-Q42 PolarHBondContact NZ-O 2.86Å; K28-Q42 PolarHBondContact O-NE2 2.88Å; K28-Q42 PolarHBondContact O-OE1 3.4Å; V31-Q42 VanDerWaalsContact CB-OE1 3.26Å; V31-Q42 VanDerWaalsContact CG1-OE1 3.27Å; R37-Q42 PolarHBondContact O-NE2 3.05Å; P38-Q42 WeakPolarHBondContact O-CG 3.49Å; P39-Q42 PolarHBondContact O-N 2.93Å; Q42-L77 HydrophobicContact CB-CD1 4.01Å; Q42-L77 HydrophobicContact CG-CD1 4.29Å; Q42-F79 HydrophobicContact CG-CD1 4.08Å; Q42-F79 HydrophobicContact CG-CE1 3.89Å
43	R	98.6	Very high	98	Very high	91 Å²	91	68.2 Å²	68.2	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.9	161.6	-75.6	178	178.4	177.8	-2.6	108.9	Y45 L50 L77 A78 F86	R43-Y45 HydrophobicContact CB-CD2 4.35Å; R43-Y45 HydrophobicContact CB-CE2 3.47Å; R43-Y45 VanDerWaalsContact CB-CE2 3.47Å; R43-Y45 WeakPolarHBondContact CD-OH 3.5Å; R43-L50 HydrophobicContact CB-CD1 3.69Å; R43-L50 HydrophobicContact CG-CD1 3.76Å; R43-L77 WeakPolarHBondContact O-CA 3.13Å; R43-A78 HydrophobicContact CB-CB 4.48Å; R43-A78 PolarHBondContact N-O 3.08Å; R43-A78 PolarHBondContact O-N 3.26Å; R43-F86 HydrophobicContact CB-CD1 4.3Å; R43-F86 HydrophobicContact CB-CE1 4.44Å; R43-F86 HydrophobicContact CG-CD1 3.63Å; R43-F86 HydrophobicContact CG-CE1 3.61Å; R43-F86 HydrophobicContact CG-CG 4.17Å; R43-F86 HydrophobicContact CG-CZ 4.13Å; R43-F86 VanDerWaalsContact NE-CD2 3.34Å
44	L	98.8	Very high	98	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.7	174.4	-61.5	-174.7	0	0	0	109.5	V24 L27 K28 L51 V75 G76 L77	V24-L44 HydrophobicContact CG1-CB 4.31Å; V24-L44 HydrophobicContact CG1-CD1 4.12Å; L27-L44 HydrophobicContact CB-CD1 4.11Å; L27-L44 HydrophobicContact CD2-CD1 3.83Å; L27-L44 HydrophobicContact CG-CD1 3.92Å; K28-L44 HydrophobicContact CG-CD1 3.66Å; K28-L44 HydrophobicContact CG-CG 3.89Å; L44-L51 HydrophobicContact CB-CB 4.47Å; L44-L51 HydrophobicContact CB-CD1 4.11Å; L44-L51 WeakPolarHBondContact O-CB 2.97Å; L44-L51 WeakPolarHBondContact O-CG 3.24Å; L44-L51 PolarHBondContact O-N 3.49Å; L44-V75 HydrophobicContact CB-CG1 4.03Å; L44-V75 HydrophobicContact CD1-CG1 4.44Å; L44-V75 HydrophobicContact CD2-CG1 4.1Å; L44-V75 HydrophobicContact CG-CG1 4.42Å; L44-G76 CarbonylContact C-O 3.47Å; L44-G76 VanDerWaalsContact CA-O 3.26Å; L44-G76 WeakPolarHBondContact CA-O 3.44Å; L44-L77 HydrophobicContact CD2-CB 4.17Å; L44-L77 HydrophobicContact CD2-CD1 3.66Å; L44-L77 HydrophobicContact CD2-CG 4.5Å
45	Y	98.8	Very high	98	Very high	26 Å²	26	69.8 Å²	69.8	10%	0.102	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.9	-176	-64	-97.7	0	0	0	110.7	R43 Q49 L50 V75 G76 A78 L89	R43-Y45 HydrophobicContact CB-CD2 4.35Å; R43-Y45 HydrophobicContact CB-CE2 3.47Å; R43-Y45 VanDerWaalsContact CB-CE2 3.47Å; R43-Y45 WeakPolarHBondContact CD-OH 3.5Å; Y45-Q49 CarbonylContact C-O 3.52Å; Y45-Q49 VanDerWaalsContact CA-O 3.24Å; Y45-Q49 WeakPolarHBondContact CA-O 3.21Å; Y45-L50 HydrophobicContact CD1-CB 4.24Å; Y45-L50 HydrophobicContact CD1-CD1 4.45Å; Y45-L50 HydrophobicContact CE1-CB 3.93Å; Y45-L50 HydrophobicContact CE1-CD1 3.95Å; Y45-L50 HydrophobicContact CE2-CD1 4.25Å; Y45-V75 CarbonylContact O-C 3.55Å; Y45-V75 WeakPolarHBondContact O-CA 3.45Å; Y45-G76 PolarHBondContact N-O 2.94Å; Y45-G76 PolarHBondContact O-N 2.73Å; Y45-A78 HydrophobicContact CE2-CB 3.98Å; Y45-L89 HydrophobicContact CD1-CD2 4.2Å; Y45-L89 HydrophobicContact CD2-CD1 3.93Å; Y45-L89 HydrophobicContact CD2-CD2 4.25Å; Y45-L89 HydrophobicContact CD2-CG 4.47Å; Y45-L89 HydrophobicContact CE2-CB 4.42Å; Y45-L89 HydrophobicContact CE2-CD1 4.46Å; Y45-L89 HydrophobicContact CG-CD1 4.36Å; Y45-L89 HydrophobicContact CG-CD2 3.89Å
46	K	98.1	Very high	98	Very high	59 Å²	59	68.9 Å²	68.9	26%	0.257	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118	158.5	-176.9	-178.7	169.8	-63.4	0	107.1	D48 Q49 L51 C60 F62	K46-D48 PolarHBondContact O-N 3.19Å; K46-Q49 PolarHBondContact N-O 3.43Å; K46-Q49 WeakPolarHBondContact O-CB 3.33Å; K46-Q49 PolarHBondContact O-N 3Å; K46-L51 HydrophobicContact CB-CD2 3.87Å; K46-C60 WeakPolarHBondContact CD-O 3.45Å; K46-F62 HydrophobicContact CB-CE1 4.46Å; K46-F62 HydrophobicContact CB-CE2 4.33Å; K46-F62 HydrophobicContact CB-CZ 3.71Å; K46-F62 HydrophobicContact CD-CE1 4.07Å; K46-F62 HydrophobicContact CD-CE2 4.41Å; K46-F62 HydrophobicContact CD-CZ 3.91Å; K46-F62 HydrophobicContact CG-CE1 4.04Å; K46-F62 HydrophobicContact CG-CZ 3.77Å
47	D	94.5	Very high	98	Very high	114 Å²	114	61.3 Å²	61.3	61%	0.61	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-120.6	-168.7	-47.2	-55.3	0	0	0	108.7	L89	D47-L89 WeakPolarHBondContact O-CD2 3.37Å
48	D	94.4	Very high	98	Very high	149 Å²	149	58.2 Å²	58.2	80%	0.797	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	0.1	174.2	-62.1	-53.3	0	0	0	113.8	K46	K46-D48 PolarHBondContact O-N 3.19Å
49	Q	97.9	Very high	98.1	Very high	127 Å²	127	62 Å²	62	59%	0.593	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	121	-175.8	-173.9	175.8	3.4	0	0	111.3	Y45 K46	Y45-Q49 CarbonylContact C-O 3.52Å; Y45-Q49 VanDerWaalsContact CA-O 3.24Å; Y45-Q49 WeakPolarHBondContact CA-O 3.21Å; K46-Q49 PolarHBondContact N-O 3.43Å; K46-Q49 WeakPolarHBondContact O-CB 3.33Å; K46-Q49 PolarHBondContact O-N 3Å
50	L	98.4	Very high	98	Very high	84 Å²	84	62.8 Å²	62.8	44%	0.44	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	131.8	172.2	-178.8	65.8	0	0	0	110.6	R43 Y45	R43-L50 HydrophobicContact CB-CD1 3.69Å; R43-L50 HydrophobicContact CG-CD1 3.76Å; Y45-L50 HydrophobicContact CD1-CB 4.24Å; Y45-L50 HydrophobicContact CD1-CD1 4.45Å; Y45-L50 HydrophobicContact CE1-CB 3.93Å; Y45-L50 HydrophobicContact CE1-CD1 3.95Å; Y45-L50 HydrophobicContact CE2-CD1 4.25Å
51	L	98.6	Very high	98	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.073	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-90.1	140.3	178.8	-55.1	-177.5	0	0	0	111.4	V24 L44 K46 C60 F62	V24-L51 HydrophobicContact CG1-CB 3.87Å; V24-L51 HydrophobicContact CG2-CB 3.85Å; V24-L51 HydrophobicContact CG2-CD1 4.28Å; L44-L51 HydrophobicContact CB-CB 4.47Å; L44-L51 HydrophobicContact CB-CD1 4.11Å; L44-L51 WeakPolarHBondContact O-CB 2.97Å; L44-L51 WeakPolarHBondContact O-CG 3.24Å; L44-L51 PolarHBondContact O-N 3.49Å; K46-L51 HydrophobicContact CB-CD2 3.87Å; L51-C60 HydrophobicContact CD2-CB 3.97Å; L51-F62 HydrophobicContact CD1-CE2 3.8Å; L51-F62 HydrophobicContact CD1-CZ 4.31Å
52	E	98.6	Very high	98	Very high	100 Å²	100	57.7 Å²	57.7	47%	0.467	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-88.7	134	177.8	-69.2	163.6	-133.3	0	0	110.8	V24 S54 K55	V24-E52 WeakPolarHBondContact CB-O 3.3Å; V24-E52 WeakPolarHBondContact CG2-O 3.32Å; E52-S54 PolarHBondContact O-N 3.18Å; E52-S54 VanDerWaalsContact O-N 3.11Å; E52-K55 HydrophobicContact CB-CD 4.08Å; E52-K55 HydrophobicContact CB-CG 4.12Å; E52-K55 VanDerWaalsContact CD-NZ 3.31Å; E52-K55 PolarHBondContact O-N 3.11Å; E52-K55 WeakPolarHBondContact OE1-CE 3.35Å; E52-K55 IonicContact OE1-NZ 2.73Å; E52-K55 PolarHBondContact OE1-NZ 2.9Å; E52-K55 VanDerWaalsContact OE2-CE 3.28Å; E52-K55 WeakPolarHBondContact OE2-CE 3.38Å; E52-K55 IonicContact OE2-NZ 3.49Å; E52-K55 PolarHBondContact OE2-NZ 3.23Å
53	D	98.6	Very high	98	Very high	61 Å²	61	59.1 Å²	59.1	33%	0.326	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.6	-174.4	-78.7	-2.1	0	0	0	114.4	Y25 K28	Y25-D53 HydrophobicContact CD2-CB 4.37Å; Y25-D53 PolarHBondContact N-O 3.28Å; Y25-D53 VanDerWaalsContact N-O 3.15Å; K28-D53 WeakPolarHBondContact CE-OD1 3.42Å; K28-D53 IonicContact NZ-OD1 2.65Å; K28-D53 PolarHBondContact NZ-OD1 2.99Å; K28-D53 IonicContact NZ-OD2 2.67Å; K28-D53 PolarHBondContact NZ-OD2 2.89Å
54	S	98.5	Very high	97.7	Very high	95 Å²	95	57.9 Å²	57.9	66%	0.664	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.6	-179.3	54.5	0	0	0	0	114.3	E52	E52-S54 PolarHBondContact O-N 3.18Å; E52-S54 VanDerWaalsContact O-N 3.11Å
55	K	98.6	Very high	97.5	Very high	71 Å²	71	64.6 Å²	64.6	31%	0.309	35%	0.348	S	S	.	.	S	Bend	trans	-77	145.6	-178.4	-74	-178.6	175.3	163.7	0	110.8	T23 V24 E52 D59	T23-K55 CarbonylContact C-O 3.49Å; T23-K55 VanDerWaalsContact CA-O 3.32Å; T23-K55 WeakPolarHBondContact CA-O 3.22Å; V24-K55 WeakPolarHBondContact CG2-O 3.17Å; V24-K55 PolarHBondContact N-O 3.33Å; E52-K55 HydrophobicContact CB-CD 4.08Å; E52-K55 HydrophobicContact CB-CG 4.12Å; E52-K55 VanDerWaalsContact CD-NZ 3.31Å; E52-K55 PolarHBondContact O-N 3.11Å; E52-K55 WeakPolarHBondContact OE1-CE 3.35Å; E52-K55 IonicContact OE1-NZ 2.73Å; E52-K55 PolarHBondContact OE1-NZ 2.9Å; E52-K55 VanDerWaalsContact OE2-CE 3.28Å; E52-K55 WeakPolarHBondContact OE2-CE 3.38Å; E52-K55 IonicContact OE2-NZ 3.49Å; E52-K55 PolarHBondContact OE2-NZ 3.23Å; K55-D59 HydrophobicContact CB-CB 4.24Å
56	T	98.8	Very high	97.4	Very high	33 Å²	33	67.2 Å²	67.2	20%	0.202	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-75.4	161.3	169.5	69	0	0	0	0	110.8	T22 G58 D59 C60	T22-T56 CarbonylContact O-C 2.94Å; T22-T56 VanDerWaalsContact O-CA 3.27Å; T22-T56 WeakPolarHBondContact O-CA 3.46Å; T56-G58 PolarHBondContact O-N 2.84Å; T56-D59 WeakPolarHBondContact CB-OD2 3.33Å; T56-D59 PolarHBondContact N-OD2 3.17Å; T56-D59 VanDerWaalsContact N-OD2 3.12Å; T56-D59 PolarHBondContact O-N 2.96Å; T56-D59 PolarHBondContact OG1-N 3.25Å; T56-D59 VanDerWaalsContact OG1-N 3.09Å; T56-D59 PolarHBondContact OG1-OD2 2.85Å; T56-C60 PolarHBondContact O-N 3.47Å; T56-C60 PolarHBondContact O-SG 3.23Å
57	L	98.6	Very high	97.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-37.6	173.9	-65.7	-178.9	0	0	0	111.3	V3 L5 A18 E20 T22 L27 C60 G61 F62	V3-L57 HydrophobicContact CG2-CD1 3.85Å; L5-L57 HydrophobicContact CD1-CD1 4.05Å; A18-L57 HydrophobicContact CB-CD1 3.61Å; E20-L57 PolarHBondContact O-N 2.87Å; T22-L57 WeakPolarHBondContact O-CG 3.45Å; T22-L57 PolarHBondContact O-N 2.76Å; L27-L57 HydrophobicContact CB-CD2 4.45Å; L27-L57 HydrophobicContact CD2-CD2 3.69Å; L57-C60 CarbonylContact O-C 3.5Å; L57-C60 WeakPolarHBondContact O-CB 3.38Å; L57-C60 PolarHBondContact O-N 3.29Å; L57-G61 PolarHBondContact O-N 2.86Å; L57-F62 CarbonylContact C-O 3.59Å; L57-F62 HydrophobicContact CB-CB 4.13Å; L57-F62 HydrophobicContact CB-CD2 4.25Å; L57-F62 HydrophobicContact CD2-CD2 4.03Å; L57-F62 WeakPolarHBondContact O-CB 3.22Å; L57-F62 WeakPolarHBondContact O-CD2 3.1Å; L57-F62 PolarHBondContact O-N 3.15Å
58	G	98.3	Very high	97.6	Very high	20 Å²	20	64.6 Å²	64.6	21%	0.206	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-46.9	172.4	0	0	0	0	0	112.9	E20 T56 C60 G61 F62	E20-G58 PolarHBondContact O-N 2.99Å; T56-G58 PolarHBondContact O-N 2.84Å; G58-C60 PolarHBondContact O-N 2.83Å; G58-G61 WeakPolarHBondContact O-CA 3.45Å; G58-G61 PolarHBondContact O-N 3Å; G58-F62 WeakPolarHBondContact CA-O 3.16Å; G58-F62 PolarHBondContact N-O 2.8Å
59	D	98.3	Very high	97.7	Very high	115 Å²	115	61.5 Å²	61.5	62%	0.615	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.8	176	-60.2	-42.4	0	0	0	112.2	K55 T56 G61	K55-D59 HydrophobicContact CB-CB 4.24Å; T56-D59 WeakPolarHBondContact CB-OD2 3.33Å; T56-D59 PolarHBondContact N-OD2 3.17Å; T56-D59 VanDerWaalsContact N-OD2 3.12Å; T56-D59 PolarHBondContact O-N 2.96Å; T56-D59 PolarHBondContact OG1-N 3.25Å; T56-D59 VanDerWaalsContact OG1-N 3.09Å; T56-D59 PolarHBondContact OG1-OD2 2.85Å; D59-G61 PolarHBondContact O-N 3.23Å
60	C	98.2	Very high	97.7	Very high	17 Å²	17	62.3 Å²	62.3	12%	0.115	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.5	174	-59.6	0	0	0	0	113.2	K46 L51 T56 L57 G58 F62	K46-C60 WeakPolarHBondContact CD-O 3.45Å; L51-C60 HydrophobicContact CD2-CB 3.97Å; T56-C60 PolarHBondContact O-N 3.47Å; T56-C60 PolarHBondContact O-SG 3.23Å; L57-C60 CarbonylContact O-C 3.5Å; L57-C60 WeakPolarHBondContact O-CB 3.38Å; L57-C60 PolarHBondContact O-N 3.29Å; G58-C60 PolarHBondContact O-N 2.83Å; C60-F62 HydrophobicContact CB-CD2 3.79Å; C60-F62 HydrophobicContact CB-CE2 3.83Å
61	G	97.4	Very high	97.6	Very high	32 Å²	32	61 Å²	61	33%	0.33	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	9.1	179	0	0	0	0	0	115.2	L57 G58 D59 T63 T66	L57-G61 PolarHBondContact O-N 2.86Å; G58-G61 WeakPolarHBondContact O-CA 3.45Å; G58-G61 PolarHBondContact O-N 3Å; D59-G61 PolarHBondContact O-N 3.23Å; G61-T63 PolarHBondContact O-N 2.95Å; G61-T66 PolarHBondContact O-OG1 3.42Å
62	F	98.2	Very high	97.6	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.009	34%	0.344	C	S	.	.			trans	-87.1	103.2	169.5	-53.5	-69.3	0	0	0	108.9	L5 K46 L51 L57 G58 C60 A73 V75	L5-F62 HydrophobicContact CD2-CB 4.39Å; L5-F62 HydrophobicContact CD2-CD1 4Å; L5-F62 HydrophobicContact CD2-CG 4.2Å; K46-F62 HydrophobicContact CB-CE1 4.46Å; K46-F62 HydrophobicContact CB-CE2 4.33Å; K46-F62 HydrophobicContact CB-CZ 3.71Å; K46-F62 HydrophobicContact CD-CE1 4.07Å; K46-F62 HydrophobicContact CD-CE2 4.41Å; K46-F62 HydrophobicContact CD-CZ 3.91Å; K46-F62 HydrophobicContact CG-CE1 4.04Å; K46-F62 HydrophobicContact CG-CZ 3.77Å; L51-F62 HydrophobicContact CD1-CE2 3.8Å; L51-F62 HydrophobicContact CD1-CZ 4.31Å; L57-F62 CarbonylContact C-O 3.59Å; L57-F62 HydrophobicContact CB-CB 4.13Å; L57-F62 HydrophobicContact CB-CD2 4.25Å; L57-F62 HydrophobicContact CD2-CD2 4.03Å; L57-F62 WeakPolarHBondContact O-CB 3.22Å; L57-F62 WeakPolarHBondContact O-CD2 3.1Å; L57-F62 PolarHBondContact O-N 3.15Å; G58-F62 WeakPolarHBondContact CA-O 3.16Å; G58-F62 PolarHBondContact N-O 2.8Å; C60-F62 HydrophobicContact CB-CD2 3.79Å; C60-F62 HydrophobicContact CB-CE2 3.83Å; F62-A73 HydrophobicContact CD1-CB 3.57Å; F62-A73 HydrophobicContact CE1-CB 3.92Å; F62-V75 HydrophobicContact CE1-CG2 3.94Å; F62-V75 HydrophobicContact CE2-CG2 4.27Å; F62-V75 HydrophobicContact CZ-CG2 3.69Å
63	T	97.6	Very high	97.6	Very high	32 Å²	32	57.5 Å²	57.5	20%	0.196	33%	0.328	C	S	.	.			trans	-121.6	164.8	-178.5	69.5	0	0	0	0	109.7	V3 G61 Q65 T66 A67	V3-T63 VanDerWaalsContact CG1-C 3.48Å; G61-T63 PolarHBondContact O-N 2.95Å; T63-Q65 PolarHBondContact O-N 3.17Å; T63-Q65 PolarHBondContact OG1-N 3.06Å; T63-T66 PolarHBondContact N-OG1 2.89Å; T63-T66 PolarHBondContact O-N 3.06Å; T63-T66 VanDerWaalsContact O-N 3.09Å; T63-T66 PolarHBondContact O-OG1 3.17Å; T63-T66 PolarHBondContact OG1-N 2.81Å; T63-T66 PolarHBondContact OG1-OG1 3.05Å; T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 2.77Å
64	N	92.6	Very high	97.6	Very high	65 Å²	65	57.2 Å²	57.2	35%	0.348	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.5	175.3	68.2	-13.9	0	0	0	114	M1 R68	M1-N64 HydrophobicContact CB-CB 3.89Å; N64-R68 WeakPolarHBondContact O-CG 3.35Å
65	Q	95.1	Very high	97.6	Very high	140 Å²	140	52.7 Å²	52.7	65%	0.654	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-33.6	177	-65.6	178.9	47.8	0	0	112.4	T63 R68	T63-Q65 PolarHBondContact O-N 3.17Å; T63-Q65 PolarHBondContact OG1-N 3.06Å; Q65-R68 PolarHBondContact O-NE 2.88Å; Q65-R68 PolarHBondContact O-NH2 2.65Å
66	T	96.4	Very high	97.6	Very high	81 Å²	81	49.4 Å²	49.4	50%	0.497	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-18.4	-174.9	56.4	0	0	0	0	113.7	G61 T63	G61-T66 PolarHBondContact O-OG1 3.42Å; T63-T66 PolarHBondContact N-OG1 2.89Å; T63-T66 PolarHBondContact O-N 3.06Å; T63-T66 VanDerWaalsContact O-N 3.09Å; T63-T66 PolarHBondContact O-OG1 3.17Å; T63-T66 PolarHBondContact OG1-N 2.81Å; T63-T66 PolarHBondContact OG1-OG1 3.05Å
67	A	97.8	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-126	70	-177	0	0	0	0	0	110.6	V3 F4 L5 T63 A73	V3-A67 HydrophobicContact CB-CB 3.84Å; V3-A67 HydrophobicContact CG1-CB 4.27Å; F4-A67 PolarHBondContact N-O 2.83Å; F4-A67 WeakPolarHBondContact O-CB 3.44Å; L5-A67 HydrophobicContact CD2-CB 4.47Å; T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 2.77Å; A67-A73 HydrophobicContact CB-CB 3.63Å
68	R	97.8	Very high	97.6	Very high	119 Å²	119	48 Å²	48	45%	0.449	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-90.4	157.3	-174.4	-61.5	-178.6	-167.6	-177.1	-0.1	111.5	N64 Q65 Q70 A71 P72	N64-R68 WeakPolarHBondContact O-CG 3.35Å; Q65-R68 PolarHBondContact O-NE 2.88Å; Q65-R68 PolarHBondContact O-NH2 2.65Å; R68-Q70 VanDerWaalsContact C-N 3.3Å; R68-Q70 PolarHBondContact O-N 3.04Å; R68-A71 PolarHBondContact N-O 3.21Å; R68-A71 VanDerWaalsContact N-O 3.15Å; R68-A71 CarbonylContact O-C 3.5Å; R68-A71 PolarHBondContact O-N 2.78Å; R68-P72 VanDerWaalsContact O-CA 3.3Å; R68-P72 WeakPolarHBondContact O-CA 3.44Å
69	P	97.5	Very high	97.6	Very high	83 Å²	83	48 Å²	48	54%	0.539	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-43.5	178.8	-19.4	23.5	0	0	0	114.1	F4 A71	F4-P69 HydrophobicContact CD1-CB 4.12Å; F4-P69 HydrophobicContact CD1-CG 4.26Å; F4-P69 HydrophobicContact CD2-CB 4.25Å; F4-P69 VanDerWaalsContact CD2-CD 3.43Å; F4-P69 HydrophobicContact CD2-CG 3.68Å; F4-P69 HydrophobicContact CE1-CB 4.17Å; F4-P69 HydrophobicContact CE1-CG 4.05Å; F4-P69 HydrophobicContact CE2-CB 4.33Å; F4-P69 HydrophobicContact CE2-CG 3.46Å; F4-P69 VanDerWaalsContact CE2-CG 3.46Å; F4-P69 HydrophobicContact CG-CB 4.17Å; F4-P69 HydrophobicContact CG-CG 4.1Å; F4-P69 HydrophobicContact CZ-CB 4.29Å; F4-P69 HydrophobicContact CZ-CG 3.66Å; P69-A71 VanDerWaalsContact C-N 3.33Å
70	Q	97.3	Very high	97.6	Very high	145 Å²	145	45.9 Å²	45.9	68%	0.678	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.4	-179.7	72.8	-81.3	16.8	0	0	114	R68	R68-Q70 VanDerWaalsContact C-N 3.3Å; R68-Q70 PolarHBondContact O-N 3.04Å
71	A	97.5	Very high	97.3	Very high	56 Å²	56	49.6 Å²	49.6	46%	0.463	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-146.1	68.8	-179.4	0	0	0	0	0	109	R68 P69	R68-A71 PolarHBondContact N-O 3.21Å; R68-A71 VanDerWaalsContact N-O 3.15Å; R68-A71 CarbonylContact O-C 3.5Å; R68-A71 PolarHBondContact O-N 2.78Å; P69-A71 VanDerWaalsContact C-N 3.33Å
72	P	98.3	Very high	96.8	Very high	24 Å²	24	52 Å²	52	16%	0.156	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.6	147.9	-176.1	23.1	-29.7	0	0	0	110.9	F4 M6 F15 R68	F4-P72 HydrophobicContact CB-CB 4.07Å; F4-P72 CarbonylContact O-C 3.53Å; F4-P72 WeakPolarHBondContact O-CA 3.25Å; F4-P72 VanDerWaalsContact O-CB 3.22Å; F4-P72 WeakPolarHBondContact O-CB 3.44Å; M6-P72 HydrophobicContact CE-CG 3.94Å; M6-P72 WeakPolarHBondContact CE-O 3.49Å; M6-P72 HydrophobicContact CG-CB 4.09Å; M6-P72 HydrophobicContact CG-CG 3.71Å; M6-P72 HydrophobicContact SD-CG 3.92Å; F15-P72 HydrophobicContact CD1-CG 4.19Å; F15-P72 HydrophobicContact CE1-CG 3.8Å; R68-P72 VanDerWaalsContact O-CA 3.3Å; R68-P72 WeakPolarHBondContact O-CA 3.44Å
73	A	98.4	Very high	96	Very high	16 Å²	16	59 Å²	59	13%	0.132	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	144.6	177.7	0	0	0	0	0	110.9	F4 L5 M6 F62 A67	F4-A73 PolarHBondContact O-N 2.66Å; L5-A73 CarbonylContact C-O 3.52Å; L5-A73 WeakPolarHBondContact CA-O 3.38Å; L5-A73 HydrophobicContact CD2-CB 4.2Å; M6-A73 PolarHBondContact N-O 2.82Å; F62-A73 HydrophobicContact CD1-CB 3.57Å; F62-A73 HydrophobicContact CE1-CB 3.92Å; A67-A73 HydrophobicContact CB-CB 3.63Å
74	T	98.6	Very high	95.4	Very high	56 Å²	56	66.2 Å²	66.2	34%	0.344	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.4	178.4	-62.3	0	0	0	0	110.8	M6 R8 I91	M6-T74 WeakPolarHBondContact O-CA 3.47Å; R8-T74 HydrophobicContact CB-CG2 4.47Å; R8-T74 HydrophobicContact CG-CG2 4.13Å; T74-I91 HydrophobicContact CG2-CD1 4.5Å
75	V	98.8	Very high	95.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.7	169.5	-177.2	0	0	0	0	107.7	L5 M6 I7 R8 L27 L44 Y45 F62	L5-V75 HydrophobicContact CB-CG2 4.41Å; L5-V75 HydrophobicContact CD1-CG2 4.29Å; L5-V75 HydrophobicContact CD2-CG2 4.09Å; L5-V75 HydrophobicContact CG-CG2 4.5Å; M6-V75 PolarHBondContact O-N 2.89Å; I7-V75 CarbonylContact C-O 3.6Å; I7-V75 WeakPolarHBondContact CA-O 3.33Å; I7-V75 HydrophobicContact CG1-CB 4.31Å; R8-V75 PolarHBondContact N-O 3.38Å; L27-V75 HydrophobicContact CD2-CG1 4.45Å; L27-V75 HydrophobicContact CD2-CG2 4.46Å; L44-V75 HydrophobicContact CB-CG1 4.03Å; L44-V75 HydrophobicContact CD1-CG1 4.44Å; L44-V75 HydrophobicContact CD2-CG1 4.1Å; L44-V75 HydrophobicContact CG-CG1 4.42Å; Y45-V75 CarbonylContact O-C 3.55Å; Y45-V75 WeakPolarHBondContact O-CA 3.45Å; F62-V75 HydrophobicContact CE1-CG2 3.94Å; F62-V75 HydrophobicContact CE2-CG2 4.27Å; F62-V75 HydrophobicContact CZ-CG2 3.69Å
76	G	98.8	Very high	95.6	Very high	2 Å²	2	63.3 Å²	63.3	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	142.6	173.5	0	0	0	0	0	111	L44 Y45	L44-G76 CarbonylContact C-O 3.47Å; L44-G76 VanDerWaalsContact CA-O 3.26Å; L44-G76 WeakPolarHBondContact CA-O 3.44Å; Y45-G76 PolarHBondContact N-O 2.94Å; Y45-G76 PolarHBondContact O-N 2.73Å
77	L	98.8	Very high	95.6	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	176.6	169	68.8	0	0	0	110	I7 R8 R9 V31 L35 Q42 R43 L44 F79	I7-L77 HydrophobicContact CG2-CB 3.9Å; I7-L77 HydrophobicContact CG2-CD2 4.18Å; R8-L77 PolarHBondContact O-N 3.3Å; R9-L77 HydrophobicContact CB-CB 4.03Å; R9-L77 HydrophobicContact CB-CD2 4.21Å; R9-L77 HydrophobicContact CB-CG 4.21Å; R9-L77 WeakPolarHBondContact CB-O 3.41Å; R9-L77 WeakPolarHBondContact CG-O 3.26Å; V31-L77 HydrophobicContact CG1-CD1 4.34Å; V31-L77 HydrophobicContact CG1-CD2 3.74Å; L35-L77 HydrophobicContact CD1-CD2 3.75Å; Q42-L77 HydrophobicContact CB-CD1 4.01Å; Q42-L77 HydrophobicContact CG-CD1 4.29Å; R43-L77 WeakPolarHBondContact O-CA 3.13Å; L44-L77 HydrophobicContact CD2-CB 4.17Å; L44-L77 HydrophobicContact CD2-CD1 3.66Å; L44-L77 HydrophobicContact CD2-CG 4.5Å; L77-F79 HydrophobicContact CD1-CD1 4.1Å; L77-F79 HydrophobicContact CD1-CE1 3.77Å; L77-F79 HydrophobicContact CD2-CE1 3.8Å; L77-F79 HydrophobicContact CD2-CZ 3.78Å; L77-F79 HydrophobicContact CG-CD1 4.43Å; L77-F79 HydrophobicContact CG-CE1 4.01Å; L77-F79 HydrophobicContact CG-CZ 4.39Å
78	A	98.4	Very high	95.5	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.7	170.3	0	0	0	0	0	110.1	R43 Y45 E87	R43-A78 HydrophobicContact CB-CB 4.48Å; R43-A78 PolarHBondContact N-O 3.08Å; R43-A78 PolarHBondContact O-N 3.26Å; Y45-A78 HydrophobicContact CE2-CB 3.98Å; A78-E87 WeakPolarHBondContact CA-OE1 3.43Å; A78-E87 HydrophobicContact CB-CG 3.88Å
79	F	98.1	Very high	95.5	Very high	22 Å²	22	65.7 Å²	65.7	10%	0.096	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	154.3	177.7	-68.3	-36.7	0	0	0	113.7	V31 L35 R37 D41 Q42 L77 E87	V31-F79 HydrophobicContact CG1-CE1 4.47Å; L35-F79 HydrophobicContact CB-CZ 3.97Å; L35-F79 HydrophobicContact CD1-CE2 4.27Å; L35-F79 HydrophobicContact CD1-CZ 3.67Å; L35-F79 HydrophobicContact CG-CZ 4.49Å; R37-F79 HydrophobicContact CB-CD1 4.05Å; R37-F79 HydrophobicContact CB-CE1 3.63Å; R37-F79 HydrophobicContact CB-CZ 3.91Å; R37-F79 HydrophobicContact CG-CD1 4.04Å; R37-F79 HydrophobicContact CG-CD2 4.06Å; R37-F79 HydrophobicContact CG-CE1 3.73Å; R37-F79 HydrophobicContact CG-CE2 3.74Å; R37-F79 HydrophobicContact CG-CG 4.21Å; R37-F79 HydrophobicContact CG-CZ 3.57Å; D41-F79 CarbonylContact O-C 3.52Å; D41-F79 VanDerWaalsContact O-CA 3.25Å; D41-F79 WeakPolarHBondContact O-CA 3.45Å; Q42-F79 HydrophobicContact CG-CD1 4.08Å; Q42-F79 HydrophobicContact CG-CE1 3.89Å; L77-F79 HydrophobicContact CD1-CD1 4.1Å; L77-F79 HydrophobicContact CD1-CE1 3.77Å; L77-F79 HydrophobicContact CD2-CE1 3.8Å; L77-F79 HydrophobicContact CD2-CZ 3.78Å; L77-F79 HydrophobicContact CG-CD1 4.43Å; L77-F79 HydrophobicContact CG-CE1 4.01Å; L77-F79 HydrophobicContact CG-CZ 4.39Å; F79-E87 PolarHBondContact N-OE1 3.24Å; F79-E87 WeakPolarHBondContact O-CG 3.28Å; F79-E87 PolarHBondContact O-N 3.37Å
80	R	97.3	Very high	95.5	Very high	69 Å²	69	65.9 Å²	65.9	26%	0.26	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127	165.7	-168.7	-174.2	-56.5	-121.6	-1.1	109.9	R37 E40 D41 N82 D83 F86	R37-R80 PolarHBondContact NH2-O 3.14Å; R37-R80 VanDerWaalsContact NH2-O 3.09Å; E40-R80 PolarHBondContact O-NH2 3.38Å; D41-R80 HydrophobicContact CB-CB 3.97Å; D41-R80 PolarHBondContact O-N 3.14Å; D41-R80 VanDerWaalsContact OD1-CD 3.24Å; D41-R80 WeakPolarHBondContact OD1-CD 3.23Å; D41-R80 IonicContact OD1-CZ 3.26Å; D41-R80 IonicContact OD1-NE 3.98Å; D41-R80 PolarHBondContact OD1-NE 2.96Å; R80-N82 WeakPolarHBondContact CD-O 3.09Å; R80-N82 WeakPolarHBondContact CG-O 3.47Å; R80-D83 PolarHBondContact NH1-O 3.37Å; R80-F86 HydrophobicContact CB-CD1 4.1Å; R80-F86 HydrophobicContact CB-CE1 3.87Å; R80-F86 HydrophobicContact CB-CE2 4.43Å; R80-F86 HydrophobicContact CB-CG 4.47Å; R80-F86 HydrophobicContact CB-CZ 4.06Å; R80-F86 HydrophobicContact CG-CE2 4.41Å; R80-F86 HydrophobicContact CG-CZ 4.48Å
81	V	91.9	Very high	95.5	Very high	95 Å²	95	61.7 Å²	61.7	58%	0.576	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	-34.7	-177.8	-174.8	0	0	0	0	111.3	M85 E87	V81-M85 PolarHBondContact N-O 2.78Å; V81-E87 HydrophobicContact CG2-CB 3.67Å
82	N	88.6	Confident	95.6	Very high	84 Å²	84	62.6 Å²	62.6	45%	0.449	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	174.9	177	57.2	19.6	0	0	0	109.4	R80 E84 M85	R80-N82 WeakPolarHBondContact CD-O 3.09Å; R80-N82 WeakPolarHBondContact CG-O 3.47Å; N82-E84 PolarHBondContact O-N 3.07Å; N82-M85 PolarHBondContact O-N 2.8Å; N82-M85 WeakPolarHBondContact OD1-CA 3.15Å; N82-M85 WeakPolarHBondContact OD1-CB 3.03Å; N82-M85 PolarHBondContact OD1-N 3.09Å
83	D	80.9	Confident	95.5	Very high	147 Å²	147	65.5 Å²	65.5	79%	0.786	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-25.4	-168.3	-68.6	-21.7	0	0	0	115	R80	R80-D83 PolarHBondContact NH1-O 3.37Å
84	E	84.4	Confident	95.5	Very high	185 Å²	185	70.9 Å²	70.9	86%	0.864	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-16.8	-176.3	-61.3	-173.9	167.3	0	0	114.9	N82	N82-E84 PolarHBondContact O-N 3.07Å
85	M	94.6	Very high	95.5	Very high	115 Å²	115	73.8 Å²	73.8	57%	0.567	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.1	-165.9	-140.3	-179.4	76.8	0	0	113.3	V81 N82	V81-M85 PolarHBondContact N-O 2.78Å; N82-M85 PolarHBondContact O-N 2.8Å; N82-M85 WeakPolarHBondContact OD1-CA 3.15Å; N82-M85 WeakPolarHBondContact OD1-CB 3.03Å; N82-M85 PolarHBondContact OD1-N 3.09Å
86	F	96.8	Very high	95.4	Very high	29 Å²	29	78.9 Å²	78.9	13%	0.127	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.2	168.9	-74.1	-100.4	0	0	0	110.3	E40 R43 R80	E40-F86 WeakPolarHBondContact O-CZ 3.37Å; R43-F86 HydrophobicContact CB-CD1 4.3Å; R43-F86 HydrophobicContact CB-CE1 4.44Å; R43-F86 HydrophobicContact CG-CD1 3.63Å; R43-F86 HydrophobicContact CG-CE1 3.61Å; R43-F86 HydrophobicContact CG-CG 4.17Å; R43-F86 HydrophobicContact CG-CZ 4.13Å; R43-F86 VanDerWaalsContact NE-CD2 3.34Å; R80-F86 HydrophobicContact CB-CD1 4.1Å; R80-F86 HydrophobicContact CB-CE1 3.87Å; R80-F86 HydrophobicContact CB-CE2 4.43Å; R80-F86 HydrophobicContact CB-CG 4.47Å; R80-F86 HydrophobicContact CB-CZ 4.06Å; R80-F86 HydrophobicContact CG-CE2 4.41Å; R80-F86 HydrophobicContact CG-CZ 4.48Å
87	E	96.3	Very high	95.3	Very high	37 Å²	37	84.2 Å²	84.2	17%	0.173	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-64.3	155.9	167.8	71.6	-165	173.9	0	0	110.5	R9 H10 A78 F79 V81	R9-E87 IonicContact CZ-OE1 3.21Å; R9-E87 IonicContact CZ-OE2 2.78Å; R9-E87 IonicContact NE-OE1 2.78Å; R9-E87 PolarHBondContact NE-OE1 2.75Å; R9-E87 IonicContact NE-OE2 3.35Å; R9-E87 IonicContact NH2-OE1 2.66Å; R9-E87 PolarHBondContact NH2-OE1 3.33Å; R9-E87 IonicContact NH2-OE2 3.79Å; R9-E87 PolarHBondContact NH2-OE2 3.19Å; H10-E87 IonicContact NE2-OE2 3.7Å; A78-E87 WeakPolarHBondContact CA-OE1 3.43Å; A78-E87 HydrophobicContact CB-CG 3.88Å; F79-E87 PolarHBondContact N-OE1 3.24Å; F79-E87 WeakPolarHBondContact O-CG 3.28Å; F79-E87 PolarHBondContact O-N 3.37Å; V81-E87 HydrophobicContact CG2-CB 3.67Å
88	Q	96.1	Very high	95.1	Very high	174 Å²	174	90 Å²	90	81%	0.813	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-67.4	143.3	171.4	-172.9	174.9	-0.8	0	0	109.6	H90	Q88-H90 PolarHBondContact O-N 3.25Å
89	L	97.7	Very high	95	Very high	39 Å²	39	97.4 Å²	97.4	20%	0.204	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-55.9	117.3	170.6	178.1	64.3	0	0	0	109.2	Y45 D47 I91	Y45-L89 HydrophobicContact CD1-CD2 4.2Å; Y45-L89 HydrophobicContact CD2-CD1 3.93Å; Y45-L89 HydrophobicContact CD2-CD2 4.25Å; Y45-L89 HydrophobicContact CD2-CG 4.47Å; Y45-L89 HydrophobicContact CE2-CB 4.42Å; Y45-L89 HydrophobicContact CE2-CD1 4.46Å; Y45-L89 HydrophobicContact CG-CD1 4.36Å; Y45-L89 HydrophobicContact CG-CD2 3.89Å; D47-L89 WeakPolarHBondContact O-CD2 3.37Å; L89-I91 HydrophobicContact CD1-CD1 4.2Å; L89-I91 HydrophobicContact CD1-CG1 4.19Å
90	H	97.7	Very high	94.9	Very high	87 Å²	87	100.2 Å²	100.2	40%	0.403	54%	0.543	S	S	.	.			trans	-137.1	118.7	179.8	-177.4	-109.5	0	0	0	109.6	H10 Q88 E92	H10-H90 WeakPolarHBondContact CA-O 3.39Å; H10-H90 AromaticContact CE1-ND1 3.76Å; H10-H90 AromaticContact CG-ND1 3.92Å; H10-H90 PolarHBondContact N-O 2.9Å; H10-H90 AromaticContact ND1-ND1 3.17Å; H10-H90 PolarHBondContact ND1-ND1 3.48Å; H10-H90 VanDerWaalsContact ND1-ND1 3.17Å; Q88-H90 PolarHBondContact O-N 3.25Å; H90-E92 IonicContact CE1-OE2 2.99Å; H90-E92 PolarHBondContact CE1-OE2 2.75Å
91	I	98.1	Very high	94.8	Very high	57 Å²	57	100.2 Å²	100.2	29%	0.292	55%	0.552	S	S	.	*	B	Isolated β-bridge	trans	-125.1	118.6	179.9	-60	173.8	0	0	0	107.5	R8 T74 L89 A93	R8-I91 HydrophobicContact CB-CD1 4.23Å; R8-I91 HydrophobicContact CB-CG1 4.3Å; R8-I91 HydrophobicContact CB-CG2 3.97Å; R8-I91 VanDerWaalsContact NH1-CG2 3.27Å; T74-I91 HydrophobicContact CG2-CD1 4.5Å; L89-I91 HydrophobicContact CD1-CD1 4.2Å; L89-I91 HydrophobicContact CD1-CG1 4.19Å; I91-A93 PolarHBondContact O-N 2.87Å
92	E	98.3	Very high	94.9	Very high	74 Å²	74	101.6 Å²	101.6	35%	0.346	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-69.7	132.5	176.7	-160.5	93.8	154.3	0	0	109.5	R8 H10 K11 H90	R8-E92 PolarHBondContact NH2-O 3.12Å; H10-E92 WeakPolarHBondContact O-CB 3.29Å; H10-E92 PolarHBondContact O-N 2.81Å; K11-E92 VanDerWaalsContact CE-CD 3.47Å; K11-E92 WeakPolarHBondContact CE-OE1 3.18Å; K11-E92 HydrophobicContact CG-CB 3.86Å; K11-E92 HydrophobicContact CG-CG 4.04Å; K11-E92 IonicContact NZ-OE1 3.52Å; H90-E92 IonicContact CE1-OE2 2.99Å; H90-E92 PolarHBondContact CE1-OE2 2.75Å
93	A	97.7	Very high	95.2	Very high	86 Å²	86	104.1 Å²	104.1	71%	0.711	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-62.1	144.7	170.8	0	0	0	0	0	110.4	I91	I91-A93 PolarHBondContact O-N 2.87Å
94	F	97.4	Very high	95.8	Very high	128 Å²	128	103.1 Å²	103.1	56%	0.561	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-66.8	163.7	167.3	-64.7	-51.7	0	0	0	110.3
95	S	97.9	Very high	96.3	Very high	117 Å²	117	97.7 Å²	97.7	82%	0.818	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.1	145	173.2	53	0	0	0	0	111.1
96	S	97.5	Very high	96.1	Very high	107 Å²	107	97.9 Å²	97.9	75%	0.748	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-75.9	144.3	170.5	-60.8	0	0	0	0	110.6
97	P	96.6	Very high	95.4	Very high	115 Å²	115	104.7 Å²	104.7	75%	0.747	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-63.9	153.4	173.9	28.2	-34.3	0	0	0	110.9
98	P	95.8	Very high	94.2	Very high	122 Å²	122	110.6 Å²	110.6	79%	0.792	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-66.5	168.1	172.4	30.9	-35.7	0	0	0	111.2	L100	P98-L100 PolarHBondContact O-N 3.21Å
99	E	95.6	Very high	92.5	Very high	156 Å²	156	108.5 Å²	108.5	73%	0.729	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-58.3	138.1	172.7	-162.2	-171.7	157	0	0	110.4	P101 K105	E99-P101 WeakPolarHBondContact O-CD 3.45Å; E99-K105 IonicContact OE1-NZ 2.9Å; E99-K105 PolarHBondContact OE1-NZ 2.86Å
100	L	95.6	Very high	90.6	Very high	82 Å²	82	109.4 Å²	109.4	43%	0.429	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-64.4	126.1	178	-169	67	0	0	0	109.3	P98 M104 K105	P98-L100 PolarHBondContact O-N 3.21Å; L100-M104 HydrophobicContact CD1-CB 3.7Å; L100-M104 HydrophobicContact CD1-CE 3.87Å; L100-M104 HydrophobicContact CD1-CG 4.48Å; L100-M104 HydrophobicContact CD1-SD 4.01Å; L100-M104 HydrophobicContact CD2-CB 4.18Å; L100-M104 HydrophobicContact CG-CB 3.75Å; L100-K105 HydrophobicContact CD2-CG 4.19Å; L100-K105 HydrophobicContact CG-CG 4.46Å; L100-K105 WeakPolarHBondContact O-CE 3.43Å
101	P	95.3	Very high	88.4	Confident	69 Å²	69	110.8 Å²	110.8	45%	0.448	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-57.5	147.1	176.3	-25.4	34.7	0	0	0	112	E99 V103 M104 K105	E99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-V103 HydrophobicContact CB-CG2 4.09Å; P101-V103 PolarHBondContact O-N 3.12Å; P101-V103 VanDerWaalsContact O-N 3.12Å; P101-M104 HydrophobicContact CG-SD 4.14Å; P101-M104 WeakPolarHBondContact O-CA 3.47Å; P101-M104 WeakPolarHBondContact O-CB 3.47Å; P101-M104 PolarHBondContact O-N 3.45Å; P101-K105 PolarHBondContact O-N 3.32Å
102	D	93.9	Very high	86	Confident	124 Å²	124	115.1 Å²	115.1	66%	0.663	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-57.4	-33.1	-177	-66.7	-28.8	0	0	0	113.1	M104 K105	D102-M104 PolarHBondContact O-N 2.78Å; D102-K105 PolarHBondContact O-N 3.15Å; D102-K105 WeakPolarHBondContact OD1-CE 3.48Å; D102-K105 IonicContact OD1-NZ 2.79Å; D102-K105 PolarHBondContact OD1-NZ 3.45Å
103	V	95.2	Very high	83.5	Confident	137 Å²	137	116.4 Å²	116.4	83%	0.83	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-66.7	-17.3	175.9	-62.3	0	0	0	0	114.1	P101	P101-V103 HydrophobicContact CB-CG2 4.09Å; P101-V103 PolarHBondContact O-N 3.12Å; P101-V103 VanDerWaalsContact O-N 3.12Å
104	M	94.2	Very high	81.1	Confident	126 Å²	126	119 Å²	119	62%	0.621	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-102.3	-11.2	176.8	-64.7	179.9	71.4	0	0	112.5	L100 P101 D102	L100-M104 HydrophobicContact CD1-CB 3.7Å; L100-M104 HydrophobicContact CD1-CE 3.87Å; L100-M104 HydrophobicContact CD1-CG 4.48Å; L100-M104 HydrophobicContact CD1-SD 4.01Å; L100-M104 HydrophobicContact CD2-CB 4.18Å; L100-M104 HydrophobicContact CG-CB 3.75Å; P101-M104 HydrophobicContact CG-SD 4.14Å; P101-M104 WeakPolarHBondContact O-CA 3.47Å; P101-M104 WeakPolarHBondContact O-CB 3.47Å; P101-M104 PolarHBondContact O-N 3.45Å; D102-M104 PolarHBondContact O-N 2.78Å
105	K	93.4	Very high	78.8	Confident	71 Å²	71	122.6 Å²	122.6	31%	0.309	73%	0.731	S	S	.	*	S	Bend	trans	-69	143.4	173	-67.1	177.6	-176.2	161.4	0	108.7	E99 L100 P101 D102 Q107	E99-K105 IonicContact OE1-NZ 2.9Å; E99-K105 PolarHBondContact OE1-NZ 2.86Å; L100-K105 HydrophobicContact CD2-CG 4.19Å; L100-K105 HydrophobicContact CG-CG 4.46Å; L100-K105 WeakPolarHBondContact O-CE 3.43Å; P101-K105 PolarHBondContact O-N 3.32Å; D102-K105 PolarHBondContact O-N 3.15Å; D102-K105 WeakPolarHBondContact OD1-CE 3.48Å; D102-K105 IonicContact OD1-NZ 2.79Å; D102-K105 PolarHBondContact OD1-NZ 3.45Å; K105-Q107 PolarHBondContact O-N 3.19Å
106	P	91	Very high	76.4	Confident	119 Å²	119	125.3 Å²	125.3	77%	0.773	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-53.6	128.7	173.7	-22	31.8	0	0	0	109.7	D108	P106-D108 PolarHBondContact O-N 2.79Å
107	Q	81.8	Confident	73.8	Confident	171 Å²	171	125 Å²	125	80%	0.799	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-73.1	120	171.4	-66.6	-171.1	-12.8	0	0	107.6	K105 S109	K105-Q107 PolarHBondContact O-N 3.19Å; Q107-S109 PolarHBondContact O-N 3.12Å; Q107-S109 PolarHBondContact O-OG 3.24Å
108	D	71.4	Confident	71.2	Confident	161 Å²	161	126 Å²	126	86%	0.861	74%	0.738	S	S	*	*			trans	-54.4	107.2	169.9	-81	-32.7	0	0	0	108	P106 G110	P106-D108 PolarHBondContact O-N 2.79Å; D108-G110 PolarHBondContact O-N 2.85Å
109	S	60	Low	68.7	Low	130 Å²	130	132.9 Å²	132.9	91%	0.909	76%	0.76	S	S	*	*			trans	-78.1	56.7	179.4	-49.5	0	0	0	0	108.9	Q107	Q107-S109 PolarHBondContact O-N 3.12Å; Q107-S109 PolarHBondContact O-OG 3.24Å
110	G	57.9	Low	67.3	Low	59 Å²	59	131.8 Å²	131.8	61%	0.608	76%	0.761	S	S	*	*			trans	-136.3	18.2	-157.7	0	0	0	0	0	116.6	D108	D108-G110 PolarHBondContact O-N 2.85Å
111	S	51.6	Low	65.8	Low	116 Å²	116	134.4 Å²	134.4	81%	0.811	78%	0.779	S	S	*	*			trans	-153.7	77.3	174.8	-68.9	0	0	0	0	114
112	T	48.6	Very low	64.2	Low	147 Å²	147	138 Å²	138	90%	0.902	80%	0.797	S	S	*	*			trans	-154.1	59.8	142.3	42.8	0	0	0	0	109.3	N114	T112-N114 PolarHBondContact O-N 3.45Å
113	A	45.9	Very low	62.5	Low	102 Å²	102	138.8 Å²	138.8	84%	0.843	81%	0.805	S	S	*	*			trans	-77.5	102.9	160.2	0	0	0	0	0	108.2
114	N	47.6	Very low	60.4	Low	140 Å²	140	138.9 Å²	138.9	75%	0.749	80%	0.803	S	S	*	*			trans	29.1	96.6	156.5	-76.8	-4	0	0	0	118.6	T112	T112-N114 PolarHBondContact O-N 3.45Å
115	E	47.9	Very low	58.2	Low	204 Å²	204	139.8 Å²	139.8	95%	0.953	82%	0.815	S	S	*	*			trans	-98.1	73.7	139.5	-96.2	-179.6	104	0	0	108.9
116	Q	48.5	Very low	55.7	Low	174 Å²	174	144.7 Å²	144.7	81%	0.813	85%	0.852	S	S	*	*			trans	-112.2	89.2	151.6	-86.7	-173.5	-19.1	0	0	107.1
117	A	41.3	Very low	52.9	Low	101 Å²	101	146.7 Å²	146.7	84%	0.835	86%	0.858	S	S	*	*			trans	-116.9	99.3	155.1	0	0	0	0	0	106.9	Q119	A117-Q119 PolarHBondContact O-N 2.72Å
118	V	42.8	Very low	50.5	Low	136 Å²	136	144.7 Å²	144.7	82%	0.824	86%	0.863	S	S	*	*			trans	-63.6	120.8	164.3	176.4	0	0	0	0	107.8
119	Q	42.9	Very low	48.6	Very low	266 Å²	266	143.2 Å²	143.2	100%	1.243	86%	0.863	S	S	*	*			trans	-141.6	0	144.1	-79.8	-163.8	-3	0	0	109.2	A117	A117-Q119 PolarHBondContact O-N 2.72Å

Retrieved 119 of 119 residues in 172.5 ms (Link to these results)

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