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General transcription factor IIH subunit 3

Component of the general transcription and DNA repair factor IIH (TFIIH) core complex, which is involved in general and transcription-coupled nucleotide excision repair (NER) of damaged DNA and, when complexed to CAK, in RNA transcription by RNA polymerase II. In NER, TFIIH acts by opening DNA around the lesion to allow the excision of the damaged oligonucleotide and its replacement by a new DNA fragment. In transcription, TFIIH has an essential role in transcription initiation. When the pre-initiation complex (PIC) has been established, TFIIH is required for promoter opening and promoter escape. Phosphorylation of the C-terminal tail (CTD) of the largest subunit of RNA polymerase II by the kinase module CAK controls the initiation of transcription.

AlphaFold DB , UniProt , Accession A0A087WYD5, Species HUMAN (Homo sapiens, Human), Gene GTF2H3, Length 162 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	50.8	Low	233 Å²	233	167.5 Å²	167.5	100%	1.148	82%	0.821	S	S	*	*				0	66.9	0	-165.1	114.7	74	0	0	108.3
2	N	39.4	Very low	53.1	Low	163 Å²	163	164 Å²	164	87%	0.872	80%	0.798	S	S	*	*			trans	-93	99.5	173.4	-75	-22.7	0	0	0	106.3	E4	N2-E4 PolarHBondContact O-N 3.21Å
3	K	43.9	Very low	55.8	Low	196 Å²	196	156.7 Å²	156.7	85%	0.852	77%	0.774	S	S	*	*			trans	-74.5	101.2	165.3	-99.2	-179.5	172.7	177.2	0	106.2	V5	K3-V5 PolarHBondContact O-N 3.08Å
4	E	48.3	Very low	58.2	Low	186 Å²	186	150.6 Å²	150.6	87%	0.869	74%	0.738	S	S	*	*			trans	-56	108.2	158.8	-67.4	172.9	140.3	0	0	106.7	N2 K6	N2-E4 PolarHBondContact O-N 3.21Å; E4-K6 PolarHBondContact O-N 3.11Å
5	V	52.1	Low	60.6	Low	110 Å²	110	145.3 Å²	145.3	67%	0.667	71%	0.713	S	S	*	*			trans	-66.1	121.3	171	178.6	0	0	0	0	105.6	K3 D7	K3-V5 PolarHBondContact O-N 3.08Å; V5-D7 VanDerWaalsContact C-N 3.28Å; V5-D7 PolarHBondContact O-N 3.3Å
6	K	44.4	Very low	62.6	Low	202 Å²	202	140.8 Å²	140.8	88%	0.878	69%	0.692	S	S	*	*			trans	-62.2	92.3	171.2	-77.7	179.5	172.5	-178.9	0	108	E4 N8	E4-K6 PolarHBondContact O-N 3.11Å; K6-N8 PolarHBondContact O-N 3.07Å
7	D	46.2	Very low	64.5	Low	126 Å²	126	134.9 Å²	134.9	67%	0.674	67%	0.666	S	S	*	*			trans	-86.3	61.9	-170	-148.3	25.4	0	0	0	111.5	V5	V5-D7 VanDerWaalsContact C-N 3.28Å; V5-D7 PolarHBondContact O-N 3.3Å
8	N	49.1	Very low	66.1	Low	159 Å²	159	132.6 Å²	132.6	85%	0.85	66%	0.655	S	S	*	*			trans	-108.3	31	165.6	-145	20.4	0	0	0	110.3	K6	K6-N8 PolarHBondContact O-N 3.07Å
9	Q	60.3	Low	67.5	Low	141 Å²	141	126.5 Å²	126.5	66%	0.659	63%	0.625	S	S	*	*	S	Bend	trans	-90.4	112	162.5	-72.7	-173.2	-33.6	0	0	106.4	M11	Q9-M11 VanDerWaalsContact C-N 3.3Å; Q9-M11 PolarHBondContact O-N 3.15Å
10	E	65	Low	68.6	Low	190 Å²	190	123.7 Å²	123.7	89%	0.888	62%	0.622	S	S	*	*			trans	-60.5	97.4	167.3	-80	-178.3	150.8	0	0	108.4	K12	E10-K12 PolarHBondContact O-N 3.28Å; E10-K12 VanDerWaalsContact O-N 3.1Å
11	M	72.6	Confident	69.6	Low	137 Å²	137	121 Å²	121	68%	0.675	62%	0.62	S	S	*	*			trans	-72.6	102.3	176.5	-71.8	-65.2	-70.5	0	0	108.8	Q9 S13	Q9-M11 VanDerWaalsContact C-N 3.3Å; Q9-M11 PolarHBondContact O-N 3.15Å; M11-S13 PolarHBondContact O-N 3.21Å; M11-S13 PolarHBondContact O-OG 3.32Å
12	K	79.2	Confident	71.9	Confident	125 Å²	125	118 Å²	118	54%	0.543	60%	0.603	S	S	.	*			trans	-61.9	107.2	170.7	-68.8	-172.4	-177.3	-179.2	0	108.7	E10 D90	E10-K12 PolarHBondContact O-N 3.28Å; E10-K12 VanDerWaalsContact O-N 3.1Å; K12-D90 IonicContact NZ-OD1 2.68Å; K12-D90 PolarHBondContact NZ-OD1 3.39Å; K12-D90 IonicContact NZ-OD2 3.49Å; K12-D90 PolarHBondContact NZ-OD2 3.11Å
13	S	87.8	Confident	73.9	Confident	69 Å²	69	113.8 Å²	113.8	48%	0.483	58%	0.58	S	S	.	*			trans	-90.5	143.6	-179.2	-64.8	0	0	0	0	110.7	M11	M11-S13 PolarHBondContact O-N 3.21Å; M11-S13 PolarHBondContact O-OG 3.32Å
14	R	90	Very high	75.7	Confident	72 Å²	72	107.4 Å²	107.4	27%	0.272	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-145.4	145.3	-179.9	177.3	-174.8	-71.4	176	2.5	110	L44 D46 F85 P87 D88	R14-L44 HydrophobicContact CG-CB 4.37Å; R14-D46 WeakPolarHBondContact CD-OD2 3.47Å; R14-D46 IonicContact NE-OD2 3.08Å; R14-F85 PolarHBondContact NH1-O 3.22Å; R14-P87 PolarHBondContact NH1-O 3.25Å; R14-D88 IonicContact NH2-OD1 3.67Å
15	I	93.4	Very high	77	Confident	70 Å²	70	101.2 Å²	101.2	36%	0.359	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	176.6	-59.9	171.1	0	0	0	108.1	V17 I43 L44 I45 D46	I15-V17 HydrophobicContact CG2-CG2 4.06Å; I15-I43 HydrophobicContact CD1-CG2 3.88Å; I15-I43 HydrophobicContact CG1-CG2 3.84Å; I15-L44 PolarHBondContact N-O 2.91Å; I15-I45 HydrophobicContact CB-CG1 4.37Å; I15-I45 WeakPolarHBondContact O-CA 3.43Å; I15-D46 PolarHBondContact O-N 2.79Å
16	L	93.6	Very high	78.2	Confident	73 Å²	73	101.3 Å²	101.3	38%	0.382	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.7	168.7	176.5	64.1	0	0	0	108.9	D46 C48 L81 F85	L16-D46 CarbonylContact C-O 3.59Å; L16-D46 WeakPolarHBondContact CA-O 3.45Å; L16-D46 HydrophobicContact CD1-CB 3.82Å; L16-C48 HydrophobicContact CD1-CB 4.43Å; L16-L81 HydrophobicContact CD2-CD2 3.96Å; L16-F85 HydrophobicContact CD1-CB 4.25Å; L16-F85 HydrophobicContact CD1-CD1 3.51Å; L16-F85 HydrophobicContact CD1-CD2 4.33Å; L16-F85 HydrophobicContact CD1-CE1 3.81Å; L16-F85 HydrophobicContact CD1-CG 3.78Å; L16-F85 HydrophobicContact CD1-CZ 4.31Å; L16-F85 HydrophobicContact CD2-CB 4.19Å; L16-F85 HydrophobicContact CD2-CG 4.42Å
17	V	94	Very high	80.1	Confident	41 Å²	41	96 Å²	96	25%	0.248	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.9	177.1	-177.3	0	0	0	0	109.3	I15 I45 D46 A47 C48 L57	I15-V17 HydrophobicContact CG2-CG2 4.06Å; V17-I45 HydrophobicContact CG2-CG2 4.09Å; V17-D46 PolarHBondContact N-O 3.49Å; V17-A47 CarbonylContact O-C 3.6Å; V17-A47 WeakPolarHBondContact O-CA 3.35Å; V17-C48 PolarHBondContact O-N 3.12Å; V17-L57 HydrophobicContact CB-CD2 4.43Å; V17-L57 HydrophobicContact CG1-CD1 4.19Å; V17-L57 HydrophobicContact CG1-CD2 4.12Å
18	I	93.3	Very high	81.8	Confident	93 Å²	93	93 Å²	93	48%	0.477	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	108.9	172	-55.8	177.3	0	0	0	108.1	C48 L50 L81	I18-C48 CarbonylContact C-O 3.58Å; I18-C48 WeakPolarHBondContact CA-O 3.32Å; I18-C48 HydrophobicContact CG1-CB 4.41Å; I18-L50 HydrophobicContact CG2-CD1 4.09Å; I18-L50 HydrophobicContact CG2-CD2 4.18Å; I18-L50 HydrophobicContact CG2-CG 4.14Å; I18-L81 HydrophobicContact CD1-CD2 4.43Å
19	K	92.3	Very high	83.5	Confident	17 Å²	17	89 Å²	89	7%	0.074	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.1	-179.7	-177.8	-171.2	167	-163.6	0	110.1	A21 D23 C48 V49 L50 S52 D53 S54 L57	K19-A21 WeakPolarHBondContact CE-O 3.33Å; K19-A21 WeakPolarHBondContact CG-O 3.39Å; K19-D23 WeakPolarHBondContact CE-OD1 3.38Å; K19-D23 IonicContact NZ-OD1 3.22Å; K19-D23 PolarHBondContact NZ-OD1 3.07Å; K19-D23 IonicContact NZ-OD2 2.86Å; K19-D23 PolarHBondContact NZ-OD2 3.26Å; K19-C48 PolarHBondContact N-O 2.81Å; K19-V49 HydrophobicContact CB-CG2 4.17Å; K19-V49 HydrophobicContact CD-CG1 4.31Å; K19-V49 HydrophobicContact CD-CG2 4.31Å; K19-L50 PolarHBondContact O-N 2.8Å; K19-S52 PolarHBondContact NZ-O 2.84Å; K19-D53 PolarHBondContact NZ-O 2.89Å; K19-S54 VanDerWaalsContact NZ-CB 3.31Å; K19-L57 HydrophobicContact CB-CD1 3.77Å; K19-L57 HydrophobicContact CD-CD1 3.78Å; K19-L57 HydrophobicContact CG-CD1 4.22Å
20	A	90.5	Very high	84.8	Confident	70 Å²	70	86.6 Å²	86.6	58%	0.579	46%	0.464	S	S	*	.			trans	-120.8	0.3	175.9	0	0	0	0	0	113.7	L50	A20-L50 HydrophobicContact CB-CD1 3.89Å
21	A	88.7	Confident	85.9	Confident	69 Å²	69	81.7 Å²	81.7	57%	0.57	44%	0.44	S	S	*	.	S	Bend	trans	-130.8	161.6	-175.4	0	0	0	0	0	110.7	K19	K19-A21 WeakPolarHBondContact CE-O 3.33Å; K19-A21 WeakPolarHBondContact CG-O 3.39Å
22	E	85.2	Confident	86.7	Confident	169 Å²	169	76 Å²	76	79%	0.79	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-66.8	155.6	177.7	-64.7	-175.9	173.1	0	0	113
23	D	82.3	Confident	87.3	Confident	74 Å²	74	75.2 Å²	75.2	40%	0.396	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-77.2	136.5	179.5	-65.8	-41.1	0	0	0	111.4	K19 S54	K19-D23 WeakPolarHBondContact CE-OD1 3.38Å; K19-D23 IonicContact NZ-OD1 3.22Å; K19-D23 PolarHBondContact NZ-OD1 3.07Å; K19-D23 IonicContact NZ-OD2 2.86Å; K19-D23 PolarHBondContact NZ-OD2 3.26Å; D23-S54 PolarHBondContact OD1-OG 3.24Å; D23-S54 VanDerWaalsContact OD1-OG 3.09Å; D23-S54 WeakPolarHBondContact OD2-CA 3.26Å; D23-S54 WeakPolarHBondContact OD2-CB 3.34Å; D23-S54 PolarHBondContact OD2-OG 2.92Å
24	S	80.6	Confident	87.5	Confident	62 Å²	62	76 Å²	76	43%	0.434	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-99.3	119.6	174.3	-175	0	0	0	0	111.3	L26 Q27	S24-L26 PolarHBondContact O-N 3.4Å; S24-L26 PolarHBondContact OG-N 2.73Å; S24-Q27 PolarHBondContact O-N 2.95Å
25	A	75.8	Confident	87.7	Confident	56 Å²	56	72.6 Å²	72.6	46%	0.463	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.7	173.9	0	0	0	0	0	113.5	Q27 R113	A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-R113 HydrophobicContact CB-CB 4.24Å; A25-R113 PolarHBondContact O-NH1 2.81Å
26	L	79	Confident	87.6	Confident	112 Å²	112	73.8 Å²	73.8	59%	0.586	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-33.9	174.8	-65.9	178.7	0	0	0	112.4	S24 R113	S24-L26 PolarHBondContact O-N 3.4Å; S24-L26 PolarHBondContact OG-N 2.73Å; L26-R113 PolarHBondContact O-NH1 3.44Å
27	Q	82.8	Confident	87.7	Confident	90 Å²	90	72.9 Å²	72.9	42%	0.421	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-6.1	-173.7	-63.3	-64.1	-19.1	0	0	113.8	S24 A25 M29 N30 F31	S24-Q27 PolarHBondContact O-N 2.95Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-M29 VanDerWaalsContact C-N 3.32Å; Q27-M29 PolarHBondContact O-N 3.46Å; Q27-N30 PolarHBondContact O-N 3.08Å; Q27-N30 PolarHBondContact OE1-ND2 3.35Å; Q27-F31 HydrophobicContact CB-CD2 3.95Å; Q27-F31 HydrophobicContact CB-CE2 4.19Å; Q27-F31 PolarHBondContact O-N 3.01Å
28	Y	83	Confident	87.6	Confident	65 Å²	65	71.2 Å²	71.2	26%	0.255	40%	0.399	S	S	.	.	H	α-helix	trans	-49.1	-48.4	-176.9	177.4	-92.4	0	0	0	113.3	N30 F31 M32 L56 A108	Y28-N30 PolarHBondContact O-N 3.15Å; Y28-F31 PolarHBondContact O-N 2.95Å; Y28-M32 HydrophobicContact CD1-CG 4.39Å; Y28-M32 HydrophobicContact CE1-CG 3.95Å; Y28-M32 HydrophobicContact CE2-CE 3.77Å; Y28-M32 HydrophobicContact CE2-CG 4.28Å; Y28-M32 WeakPolarHBondContact O-CG 3.31Å; Y28-M32 PolarHBondContact O-N 3.12Å; Y28-M32 WeakPolarHBondContact OH-CE 3.49Å; Y28-L56 HydrophobicContact CD2-CD1 3.74Å; Y28-L56 HydrophobicContact CE2-CD1 3.89Å; Y28-A108 HydrophobicContact CE1-CB 4.46Å
29	M	83.6	Confident	87.7	Confident	74 Å²	74	71.3 Å²	71.3	37%	0.365	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-42	-179.6	-77.7	-169.7	-92.6	0	0	112.7	Q27 F31 M32 N33 F110	Q27-M29 VanDerWaalsContact C-N 3.32Å; Q27-M29 PolarHBondContact O-N 3.46Å; M29-F31 VanDerWaalsContact C-N 3.35Å; M29-M32 PolarHBondContact O-N 3.06Å; M29-N33 VanDerWaalsContact O-CG 3.28Å; M29-N33 PolarHBondContact O-N 3.21Å; M29-N33 PolarHBondContact O-ND2 3.43Å; M29-F110 HydrophobicContact CE-CD1 4.34Å; M29-F110 HydrophobicContact CE-CE1 3.95Å; M29-F110 HydrophobicContact SD-CD1 4.3Å; M29-F110 HydrophobicContact SD-CE1 3.36Å; M29-F110 WeakPolarHBondContact SD-CE1 3.28Å; M29-F110 HydrophobicContact SD-CZ 3.81Å
30	N	87.6	Confident	87.6	Confident	90 Å²	90	79 Å²	79	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-44.5	-179.7	-64.9	-21.6	0	0	0	110.3	Q27 Y28 N33 V34	Q27-N30 PolarHBondContact O-N 3.08Å; Q27-N30 PolarHBondContact OE1-ND2 3.35Å; Y28-N30 PolarHBondContact O-N 3.15Å; N30-N33 PolarHBondContact O-N 3.32Å; N30-V34 WeakPolarHBondContact O-CG2 3.22Å; N30-V34 PolarHBondContact O-N 3.48Å; N30-V34 VanDerWaalsContact O-N 3.11Å
31	F	89.1	Confident	87.6	Confident	88 Å²	88	82.6 Å²	82.6	39%	0.386	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-47.2	175.6	-94.6	-86.2	0	0	0	112.3	Q27 Y28 M29 N33 V34 I35 L56 L57	Q27-F31 HydrophobicContact CB-CD2 3.95Å; Q27-F31 HydrophobicContact CB-CE2 4.19Å; Q27-F31 PolarHBondContact O-N 3.01Å; Y28-F31 PolarHBondContact O-N 2.95Å; M29-F31 VanDerWaalsContact C-N 3.35Å; F31-N33 VanDerWaalsContact C-N 3.31Å; F31-N33 PolarHBondContact O-N 3.18Å; F31-V34 WeakPolarHBondContact O-CB 3.17Å; F31-V34 PolarHBondContact O-N 3.12Å; F31-V34 VanDerWaalsContact O-N 3.11Å; F31-I35 WeakPolarHBondContact O-CD1 3.39Å; F31-I35 VanDerWaalsContact O-CG1 3.23Å; F31-I35 WeakPolarHBondContact O-CG1 3.13Å; F31-I35 PolarHBondContact O-N 2.68Å; F31-L56 HydrophobicContact CB-CD1 4.14Å; F31-L56 HydrophobicContact CB-CD2 3.64Å; F31-L56 HydrophobicContact CB-CG 4.13Å; F31-L56 HydrophobicContact CD1-CD2 4.23Å; F31-L56 HydrophobicContact CD2-CD2 3.98Å; F31-L56 HydrophobicContact CG-CD2 3.69Å; F31-L56 HydrophobicContact CG-CG 4.41Å; F31-L57 HydrophobicContact CE1-CD2 4.42Å
32	M	89.8	Confident	87.6	Confident	18 Å²	18	85.4 Å²	85.4	9%	0.089	44%	0.441	C	S	.	.	H	α-helix	trans	-59	-43.2	178.8	-78.9	-61.7	179.6	0	0	112.4	Y28 M29 V34 I35 F36 L56 Q59	Y28-M32 HydrophobicContact CD1-CG 4.39Å; Y28-M32 HydrophobicContact CE1-CG 3.95Å; Y28-M32 HydrophobicContact CE2-CE 3.77Å; Y28-M32 HydrophobicContact CE2-CG 4.28Å; Y28-M32 WeakPolarHBondContact O-CG 3.31Å; Y28-M32 PolarHBondContact O-N 3.12Å; Y28-M32 WeakPolarHBondContact OH-CE 3.49Å; M29-M32 PolarHBondContact O-N 3.06Å; M32-V34 VanDerWaalsContact C-N 3.3Å; M32-V34 PolarHBondContact O-N 3.39Å; M32-I35 PolarHBondContact O-N 3.28Å; M32-I35 HydrophobicContact SD-CD1 4.17Å; M32-F36 HydrophobicContact CB-CE2 4.23Å; M32-F36 WeakPolarHBondContact O-CD2 3.33Å; M32-F36 WeakPolarHBondContact O-CG 3.38Å; M32-F36 PolarHBondContact O-N 3.26Å; M32-F36 HydrophobicContact SD-CE2 4.33Å; M32-L56 HydrophobicContact CE-CD1 3.72Å; M32-L56 HydrophobicContact CG-CD1 4.32Å; M32-L56 HydrophobicContact SD-CD1 4.41Å; M32-Q59 HydrophobicContact CE-CB 4.19Å
33	N	90.6	Very high	87.9	Confident	108 Å²	108	79.3 Å²	79.3	58%	0.578	41%	0.413	S	S	*	.	H	α-helix	trans	-61.6	-39.8	176.3	-69.7	-21.2	0	0	0	112.1	M29 N30 F31 A37	M29-N33 VanDerWaalsContact O-CG 3.28Å; M29-N33 PolarHBondContact O-N 3.21Å; M29-N33 PolarHBondContact O-ND2 3.43Å; N30-N33 PolarHBondContact O-N 3.32Å; F31-N33 VanDerWaalsContact C-N 3.31Å; F31-N33 PolarHBondContact O-N 3.18Å; N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.19Å; N33-A37 PolarHBondContact O-N 2.96Å
34	V	92.7	Very high	88.3	Confident	84 Å²	84	76 Å²	76	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-42.7	175.8	172.4	0	0	0	0	111.3	N30 F31 M32 A37 A38	N30-V34 WeakPolarHBondContact O-CG2 3.22Å; N30-V34 PolarHBondContact O-N 3.48Å; N30-V34 VanDerWaalsContact O-N 3.11Å; F31-V34 WeakPolarHBondContact O-CB 3.17Å; F31-V34 PolarHBondContact O-N 3.12Å; F31-V34 VanDerWaalsContact O-N 3.11Å; M32-V34 VanDerWaalsContact C-N 3.3Å; M32-V34 PolarHBondContact O-N 3.39Å; V34-A37 PolarHBondContact O-N 2.85Å; V34-A38 WeakPolarHBondContact O-CB 3.26Å; V34-A38 PolarHBondContact O-N 3.3Å
35	I	93.8	Very high	89	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-61.2	-47.6	178.3	-67	160.3	0	0	0	110.4	F31 M32 A37 A38 Q39 I45 L56 A60 I63 T64	F31-I35 WeakPolarHBondContact O-CD1 3.39Å; F31-I35 VanDerWaalsContact O-CG1 3.23Å; F31-I35 WeakPolarHBondContact O-CG1 3.13Å; F31-I35 PolarHBondContact O-N 2.68Å; M32-I35 PolarHBondContact O-N 3.28Å; M32-I35 HydrophobicContact SD-CD1 4.17Å; I35-A37 VanDerWaalsContact C-N 3.33Å; I35-A37 PolarHBondContact O-N 2.98Å; I35-A38 PolarHBondContact O-N 3.1Å; I35-Q39 WeakPolarHBondContact O-CB 3.3Å; I35-Q39 PolarHBondContact O-N 2.84Å; I35-I45 HydrophobicContact CG1-CD1 4.1Å; I35-L56 HydrophobicContact CD1-CD1 4.46Å; I35-A60 HydrophobicContact CD1-CB 3.44Å; I35-A60 VanDerWaalsContact CD1-CB 3.44Å; I35-A60 HydrophobicContact CG1-CB 3.65Å; I35-A60 HydrophobicContact CG2-CB 4.43Å; I35-I63 HydrophobicContact CG2-CB 4.01Å; I35-I63 HydrophobicContact CG2-CD1 4.09Å; I35-I63 HydrophobicContact CG2-CG2 3.85Å; I35-T64 HydrophobicContact CG2-CG2 4.25Å
36	F	92.4	Very high	89.8	Confident	95 Å²	95	70.8 Å²	70.8	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-67.2	-33.7	177.8	-67.9	-52.2	0	0	0	112.8	M32 K40 I63	M32-F36 HydrophobicContact CB-CE2 4.23Å; M32-F36 WeakPolarHBondContact O-CD2 3.33Å; M32-F36 WeakPolarHBondContact O-CG 3.38Å; M32-F36 PolarHBondContact O-N 3.26Å; M32-F36 HydrophobicContact SD-CE2 4.33Å; F36-K40 WeakPolarHBondContact O-CG 3.2Å; F36-K40 PolarHBondContact O-N 2.79Å; F36-K40 VanDerWaalsContact O-N 3.12Å; F36-I63 HydrophobicContact CD1-CG2 4.46Å; F36-I63 HydrophobicContact CE1-CD1 4.21Å; F36-I63 HydrophobicContact CE1-CG2 4.43Å
37	A	93.8	Very high	90.5	Very high	53 Å²	53	65.4 Å²	65.4	44%	0.438	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-45.5	172.8	0	0	0	0	0	111.2	N33 V34 I35 K40 Q41	N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.19Å; N33-A37 PolarHBondContact O-N 2.96Å; V34-A37 PolarHBondContact O-N 2.85Å; I35-A37 VanDerWaalsContact C-N 3.33Å; I35-A37 PolarHBondContact O-N 2.98Å; A37-K40 PolarHBondContact O-N 2.84Å; A37-Q41 WeakPolarHBondContact O-CG 3.43Å; A37-Q41 PolarHBondContact O-N 3.04Å; A37-Q41 VanDerWaalsContact O-N 3.08Å
38	A	93.6	Very high	91	Very high	7 Å²	7	61.1 Å²	61.1	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-44.1	177.1	0	0	0	0	0	111.6	V34 I35 K40 Q41 N42 I43 I45 T64	V34-A38 WeakPolarHBondContact O-CB 3.26Å; V34-A38 PolarHBondContact O-N 3.3Å; I35-A38 PolarHBondContact O-N 3.1Å; A38-K40 VanDerWaalsContact C-N 3.34Å; A38-K40 PolarHBondContact O-N 3.4Å; A38-Q41 CarbonylContact O-C 3.58Å; A38-Q41 PolarHBondContact O-N 3.2Å; A38-Q41 VanDerWaalsContact O-N 3.11Å; A38-N42 PolarHBondContact O-N 3.45Å; A38-I43 HydrophobicContact CB-CB 4.27Å; A38-I43 PolarHBondContact O-N 2.85Å; A38-I45 HydrophobicContact CB-CD1 3.75Å; A38-I45 HydrophobicContact CB-CG1 4.15Å; A38-T64 HydrophobicContact CB-CG2 4.49Å
39	Q	93.9	Very high	91.5	Very high	95 Å²	95	58 Å²	58	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-44.5	175.4	-171.7	-168.1	1.8	0	0	111.8	I35 Q41 N42 I63 T64	I35-Q39 WeakPolarHBondContact O-CB 3.3Å; I35-Q39 PolarHBondContact O-N 2.84Å; Q39-Q41 VanDerWaalsContact C-N 3.29Å; Q39-Q41 PolarHBondContact O-N 3.15Å; Q39-N42 PolarHBondContact O-N 3.5Å; Q39-N42 VanDerWaalsContact O-N 3.09Å; Q39-I63 HydrophobicContact CB-CG2 4.26Å; Q39-I63 HydrophobicContact CG-CG2 4.16Å; Q39-T64 HydrophobicContact CB-CG2 4.39Å
40	K	91.6	Very high	91.8	Very high	179 Å²	179	56.3 Å²	56.3	78%	0.778	29%	0.286	S	S	*	.	H	α-helix	trans	-65	-31.7	177	-76.1	-179	-177.9	-178	0	113.4	F36 A37 A38	F36-K40 WeakPolarHBondContact O-CG 3.2Å; F36-K40 PolarHBondContact O-N 2.79Å; F36-K40 VanDerWaalsContact O-N 3.12Å; A37-K40 PolarHBondContact O-N 2.84Å; A38-K40 VanDerWaalsContact C-N 3.34Å; A38-K40 PolarHBondContact O-N 3.4Å
41	Q	89.9	Confident	91.7	Very high	145 Å²	145	57.6 Å²	57.6	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	4.5	176.1	-62.7	-62	-32.1	0	0	112.6	A37 A38 Q39 I43	A37-Q41 WeakPolarHBondContact O-CG 3.43Å; A37-Q41 PolarHBondContact O-N 3.04Å; A37-Q41 VanDerWaalsContact O-N 3.08Å; A38-Q41 CarbonylContact O-C 3.58Å; A38-Q41 PolarHBondContact O-N 3.2Å; A38-Q41 VanDerWaalsContact O-N 3.11Å; Q39-Q41 VanDerWaalsContact C-N 3.29Å; Q39-Q41 PolarHBondContact O-N 3.15Å; Q41-I43 HydrophobicContact CB-CD1 3.85Å; Q41-I43 HydrophobicContact CB-CG1 3.87Å; Q41-I43 PolarHBondContact O-N 2.84Å
42	N	89.2	Confident	91.6	Very high	128 Å²	128	55.1 Å²	55.1	68%	0.684	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.2	-176.3	-158	28.7	0	0	0	113.2	A38 Q39	A38-N42 PolarHBondContact O-N 3.45Å; Q39-N42 PolarHBondContact O-N 3.5Å; Q39-N42 VanDerWaalsContact O-N 3.09Å
43	I	91.6	Very high	91.4	Very high	40 Å²	40	58 Å²	58	21%	0.205	30%	0.303	C	S	.	.			trans	-97.7	120.5	177.2	-59	177.1	0	0	0	108.4	I15 A38 Q41	I15-I43 HydrophobicContact CD1-CG2 3.88Å; I15-I43 HydrophobicContact CG1-CG2 3.84Å; A38-I43 HydrophobicContact CB-CB 4.27Å; A38-I43 PolarHBondContact O-N 2.85Å; Q41-I43 HydrophobicContact CB-CD1 3.85Å; Q41-I43 HydrophobicContact CB-CG1 3.87Å; Q41-I43 PolarHBondContact O-N 2.84Å
44	L	90.9	Very high	91.3	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139	176.9	-54.6	176.5	0	0	0	111	R14 I15 T64 Q89	R14-L44 HydrophobicContact CG-CB 4.37Å; I15-L44 PolarHBondContact N-O 2.91Å; L44-T64 WeakPolarHBondContact CD2-O 3.38Å; L44-Q89 HydrophobicContact CD1-CB 4.06Å; L44-Q89 VanDerWaalsContact CD1-CD 3.48Å; L44-Q89 HydrophobicContact CD1-CG 3.77Å
45	I	93.8	Very high	91	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.8	170.9	-58.8	174.4	0	0	0	108.6	I15 V17 I35 A38 A60 C61 T64 G66	I15-I45 HydrophobicContact CB-CG1 4.37Å; I15-I45 WeakPolarHBondContact O-CA 3.43Å; V17-I45 HydrophobicContact CG2-CG2 4.09Å; I35-I45 HydrophobicContact CG1-CD1 4.1Å; A38-I45 HydrophobicContact CB-CD1 3.75Å; A38-I45 HydrophobicContact CB-CG1 4.15Å; I45-A60 HydrophobicContact CG2-CB 4.28Å; I45-C61 PolarHBondContact O-SG 3.33Å; I45-T64 HydrophobicContact CB-CG2 4.33Å; I45-T64 HydrophobicContact CD1-CG2 4.01Å; I45-T64 HydrophobicContact CG1-CG2 4.05Å; I45-T64 PolarHBondContact N-OG1 2.79Å; I45-T64 VanDerWaalsContact N-OG1 3.12Å; I45-G66 WeakPolarHBondContact O-CA 2.94Å
46	D	92.8	Very high	90.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.9	170.2	-60.4	-42.9	0	0	0	109.9	R14 I15 L16 V17 G66 L67 F85 R92	R14-D46 WeakPolarHBondContact CD-OD2 3.47Å; R14-D46 IonicContact NE-OD2 3.08Å; I15-D46 PolarHBondContact O-N 2.79Å; L16-D46 CarbonylContact C-O 3.59Å; L16-D46 WeakPolarHBondContact CA-O 3.45Å; L16-D46 HydrophobicContact CD1-CB 3.82Å; V17-D46 PolarHBondContact N-O 3.49Å; D46-G66 WeakPolarHBondContact OD1-CA 3.4Å; D46-L67 CarbonylContact C-O 3.53Å; D46-L67 WeakPolarHBondContact CA-O 3.44Å; D46-L67 PolarHBondContact OD1-N 3.09Å; D46-F85 HydrophobicContact CB-CD1 3.68Å; D46-F85 HydrophobicContact CB-CE1 3.78Å; D46-R92 IonicContact OD1-CZ 3.26Å; D46-R92 IonicContact OD1-NH1 2.73Å; D46-R92 PolarHBondContact OD1-NH1 3.06Å; D46-R92 VanDerWaalsContact OD1-NH1 3.08Å; D46-R92 IonicContact OD1-NH2 2.75Å; D46-R92 PolarHBondContact OD1-NH2 3.2Å; D46-R92 IonicContact OD2-CZ 3.69Å; D46-R92 IonicContact OD2-NH1 3.69Å; D46-R92 IonicContact OD2-NH2 3.55Å; D46-R92 PolarHBondContact OD2-NH2 3.42Å
47	A	93.4	Very high	90.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.5	-179.1	0	0	0	0	0	111.7	V17 L57 C61 L67 Y68 L69	V17-A47 CarbonylContact O-C 3.6Å; V17-A47 WeakPolarHBondContact O-CA 3.35Å; A47-L57 HydrophobicContact CB-CB 3.87Å; A47-L57 HydrophobicContact CB-CD1 4.14Å; A47-L57 HydrophobicContact CB-CD2 4.49Å; A47-L57 HydrophobicContact CB-CG 4.4Å; A47-C61 VanDerWaalsContact CB-SG 3.57Å; A47-L67 PolarHBondContact N-O 2.92Å; A47-Y68 HydrophobicContact CB-CD2 3.89Å; A47-Y68 HydrophobicContact CB-CE2 4.43Å; A47-L69 PolarHBondContact O-N 3.12Å
48	C	93.3	Very high	90.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.8	171.6	-177	0	0	0	0	108.8	L16 V17 I18 K19 L69 V71 F85	L16-C48 HydrophobicContact CD1-CB 4.43Å; V17-C48 PolarHBondContact O-N 3.12Å; I18-C48 CarbonylContact C-O 3.58Å; I18-C48 WeakPolarHBondContact CA-O 3.32Å; I18-C48 HydrophobicContact CG1-CB 4.41Å; K19-C48 PolarHBondContact N-O 2.81Å; C48-L69 WeakPolarHBondContact CA-O 3.43Å; C48-V71 WeakPolarHBondContact SG-CG2 3.17Å; C48-F85 HydrophobicContact CB-CE2 3.73Å; C48-F85 HydrophobicContact CB-CZ 3.79Å
49	V	93.3	Very high	90.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.3	-176.3	178.7	0	0	0	0	109.9	K19 S52 L57 Y68 L69 K70 V71	K19-V49 HydrophobicContact CB-CG2 4.17Å; K19-V49 HydrophobicContact CD-CG1 4.31Å; K19-V49 HydrophobicContact CD-CG2 4.31Å; V49-S52 WeakPolarHBondContact CG1-O 3.47Å; V49-L57 HydrophobicContact CG2-CD1 4.36Å; V49-Y68 HydrophobicContact CG2-CD2 4.4Å; V49-Y68 HydrophobicContact CG2-CE2 3.45Å; V49-Y68 VanDerWaalsContact CG2-CE2 3.45Å; V49-Y68 WeakPolarHBondContact CG2-OH 3.42Å; V49-L69 PolarHBondContact N-O 3.4Å; V49-K70 WeakPolarHBondContact O-CA 3.35Å; V49-V71 PolarHBondContact O-N 3.4Å
50	L	91	Very high	90.1	Very high	37 Å²	37	41.4 Å²	41.4	19%	0.194	22%	0.218	C	C	.	.	S	Bend	trans	-88.7	-32.8	-174.2	-56	-174.6	0	0	0	113.6	I18 K19 A20 V71 M74 L77	I18-L50 HydrophobicContact CG2-CD1 4.09Å; I18-L50 HydrophobicContact CG2-CD2 4.18Å; I18-L50 HydrophobicContact CG2-CG 4.14Å; K19-L50 PolarHBondContact O-N 2.8Å; A20-L50 HydrophobicContact CB-CD1 3.89Å; L50-V71 HydrophobicContact CD2-CG2 4.19Å; L50-M74 HydrophobicContact CB-CE 3.49Å; L50-M74 VanDerWaalsContact CB-CE 3.49Å; L50-M74 HydrophobicContact CB-SD 4.1Å; L50-M74 HydrophobicContact CD1-SD 4.39Å; L50-M74 HydrophobicContact CD2-CE 3.57Å; L50-M74 HydrophobicContact CD2-SD 4.25Å; L50-M74 HydrophobicContact CG-CE 4Å; L50-M74 HydrophobicContact CG-SD 4.46Å; L50-M74 WeakPolarHBondContact O-CE 3.07Å; L50-L77 HydrophobicContact CD2-CD1 3.65Å; L50-L77 HydrophobicContact CD2-CD2 4.16Å
51	D	84.9	Confident	90.1	Very high	117 Å²	117	33 Å²	33	63%	0.626	18%	0.182	S	C	*	.	S	Bend	trans	-131.7	-79.2	-169.4	-170.8	26.7	0	0	0	112.1	K70	D51-K70 WeakPolarHBondContact O-CE 3.35Å; D51-K70 PolarHBondContact O-NZ 3.27Å
52	S	86.6	Confident	90.2	Very high	36 Å²	36	30.3 Å²	30.3	25%	0.252	17%	0.172	S	C	.	.	S	Bend	trans	-96	130.9	-177.7	56.9	0	0	0	0	112.9	K19 V49	K19-S52 PolarHBondContact NZ-O 2.84Å; V49-S52 WeakPolarHBondContact CG1-O 3.47Å
53	D	87	Confident	90.2	Very high	79 Å²	79	25.9 Å²	25.9	42%	0.422	15%	0.148	S	C	.	.			trans	-52.8	152.6	174.3	-71.9	-72.6	0	0	0	111.6	K19 Y68 K70	K19-D53 PolarHBondContact NZ-O 2.89Å; D53-Y68 WeakPolarHBondContact CA-OH 3.43Å; D53-Y68 PolarHBondContact OD1-OH 3.45Å; D53-K70 IonicContact OD2-NZ 3.51Å; D53-K70 PolarHBondContact OD2-NZ 3.09Å
54	S	87.3	Confident	90.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.			trans	-131.2	106.4	-177.8	-176	0	0	0	0	109.9	K19 D23 L56 L57 Q58 Y68	K19-S54 VanDerWaalsContact NZ-CB 3.31Å; D23-S54 PolarHBondContact OD1-OG 3.24Å; D23-S54 VanDerWaalsContact OD1-OG 3.09Å; D23-S54 WeakPolarHBondContact OD2-CA 3.26Å; D23-S54 WeakPolarHBondContact OD2-CB 3.34Å; D23-S54 PolarHBondContact OD2-OG 2.92Å; S54-L56 PolarHBondContact O-N 3.27Å; S54-L57 PolarHBondContact O-N 2.9Å; S54-L57 PolarHBondContact OG-N 3.05Å; S54-Q58 WeakPolarHBondContact O-CB 3.39Å; S54-Q58 WeakPolarHBondContact O-CG 3.04Å; S54-Q58 PolarHBondContact O-N 3Å; S54-Y68 PolarHBondContact N-OH 3.27Å
55	G	87	Confident	90.1	Very high	36 Å²	36	27.1 Å²	27.1	37%	0.371	17%	0.168	S	C	.	.	H	α-helix	trans	-59.3	-35.4	173.8	0	0	0	0	0	111.7	Q58 Q59	G55-Q58 PolarHBondContact O-N 2.48Å; G55-Q59 VanDerWaalsContact O-CG 3.29Å; G55-Q59 WeakPolarHBondContact O-CG 3.45Å; G55-Q59 PolarHBondContact O-N 2.75Å
56	L	87.7	Confident	89.9	Confident	18 Å²	18	27.4 Å²	27.4	9%	0.094	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-45.3	179.6	-176.4	61.9	0	0	0	112.7	Y28 F31 M32 I35 S54 Q59 A60	Y28-L56 HydrophobicContact CD2-CD1 3.74Å; Y28-L56 HydrophobicContact CE2-CD1 3.89Å; F31-L56 HydrophobicContact CB-CD1 4.14Å; F31-L56 HydrophobicContact CB-CD2 3.64Å; F31-L56 HydrophobicContact CB-CG 4.13Å; F31-L56 HydrophobicContact CD1-CD2 4.23Å; F31-L56 HydrophobicContact CD2-CD2 3.98Å; F31-L56 HydrophobicContact CG-CD2 3.69Å; F31-L56 HydrophobicContact CG-CG 4.41Å; M32-L56 HydrophobicContact CE-CD1 3.72Å; M32-L56 HydrophobicContact CG-CD1 4.32Å; M32-L56 HydrophobicContact SD-CD1 4.41Å; I35-L56 HydrophobicContact CD1-CD1 4.46Å; S54-L56 PolarHBondContact O-N 3.27Å; L56-Q59 PolarHBondContact O-N 3.42Å; L56-A60 PolarHBondContact O-N 3.21Å
57	L	90.6	Very high	89.7	Confident	6 Å²	6	29 Å²	29	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-73.2	-30.2	176.6	-66.8	174.8	0	0	0	112.2	V17 K19 F31 A47 V49 S54 Q59 A60 C61 Y68	V17-L57 HydrophobicContact CB-CD2 4.43Å; V17-L57 HydrophobicContact CG1-CD1 4.19Å; V17-L57 HydrophobicContact CG1-CD2 4.12Å; K19-L57 HydrophobicContact CB-CD1 3.77Å; K19-L57 HydrophobicContact CD-CD1 3.78Å; K19-L57 HydrophobicContact CG-CD1 4.22Å; F31-L57 HydrophobicContact CE1-CD2 4.42Å; A47-L57 HydrophobicContact CB-CB 3.87Å; A47-L57 HydrophobicContact CB-CD1 4.14Å; A47-L57 HydrophobicContact CB-CD2 4.49Å; A47-L57 HydrophobicContact CB-CG 4.4Å; V49-L57 HydrophobicContact CG2-CD1 4.36Å; S54-L57 PolarHBondContact O-N 2.9Å; S54-L57 PolarHBondContact OG-N 3.05Å; L57-Q59 VanDerWaalsContact C-N 3.34Å; L57-A60 WeakPolarHBondContact O-CB 3.44Å; L57-A60 PolarHBondContact O-N 3.04Å; L57-C61 PolarHBondContact O-N 2.97Å; L57-C61 PolarHBondContact O-SG 3.4Å; L57-Y68 HydrophobicContact CB-CD2 4.29Å; L57-Y68 HydrophobicContact CB-CE2 4.09Å
58	Q	90.8	Very high	89.7	Confident	23 Å²	23	30.3 Å²	30.3	11%	0.107	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-46.3	170.6	-73.7	170.2	21	0	0	110.9	S54 G55 A60 C61 D62 Y68 V103	S54-Q58 WeakPolarHBondContact O-CB 3.39Å; S54-Q58 WeakPolarHBondContact O-CG 3.04Å; S54-Q58 PolarHBondContact O-N 3Å; G55-Q58 PolarHBondContact O-N 2.48Å; Q58-A60 VanDerWaalsContact C-N 3.34Å; Q58-A60 PolarHBondContact O-N 3.42Å; Q58-C61 PolarHBondContact O-N 3.37Å; Q58-D62 PolarHBondContact O-N 3.48Å; Q58-Y68 HydrophobicContact CB-CD2 4.43Å; Q58-Y68 HydrophobicContact CG-CD1 3.78Å; Q58-Y68 HydrophobicContact CG-CD2 3.69Å; Q58-Y68 HydrophobicContact CG-CE1 3.64Å; Q58-Y68 HydrophobicContact CG-CE2 3.56Å; Q58-Y68 HydrophobicContact CG-CG 3.8Å; Q58-Y68 PolarHBondContact NE2-OH 2.87Å; Q58-V103 HydrophobicContact CB-CG1 4.09Å; Q58-V103 HydrophobicContact CB-CG2 4.06Å
59	Q	89.3	Confident	89.6	Confident	11 Å²	11	31.2 Å²	31.2	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-41.6	172.5	-69.4	170.2	-24.7	0	0	111.8	M32 G55 L56 L57 C61 D62 I63 V103 D104 Y105	M32-Q59 HydrophobicContact CE-CB 4.19Å; G55-Q59 VanDerWaalsContact O-CG 3.29Å; G55-Q59 WeakPolarHBondContact O-CG 3.45Å; G55-Q59 PolarHBondContact O-N 2.75Å; L56-Q59 PolarHBondContact O-N 3.42Å; L57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-C61 PolarHBondContact O-N 3.02Å; Q59-D62 PolarHBondContact O-N 3.22Å; Q59-I63 HydrophobicContact CB-CD1 4.45Å; Q59-I63 WeakPolarHBondContact O-CB 3.4Å; Q59-I63 WeakPolarHBondContact O-CD1 3.2Å; Q59-I63 WeakPolarHBondContact O-CG1 3.48Å; Q59-I63 PolarHBondContact O-N 3.44Å; Q59-V103 HydrophobicContact CB-CG1 4.16Å; Q59-V103 HydrophobicContact CG-CG1 3.35Å; Q59-D104 PolarHBondContact NE2-O 3.05Å; Q59-Y105 HydrophobicContact CG-CD1 4.26Å; Q59-Y105 HydrophobicContact CG-CE1 4.06Å
60	A	91.3	Very high	89.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-48	177.5	0	0	0	0	0	112.3	I35 I45 L56 L57 Q58 T64	I35-A60 HydrophobicContact CD1-CB 3.44Å; I35-A60 VanDerWaalsContact CD1-CB 3.44Å; I35-A60 HydrophobicContact CG1-CB 3.65Å; I35-A60 HydrophobicContact CG2-CB 4.43Å; I45-A60 HydrophobicContact CG2-CB 4.28Å; L56-A60 PolarHBondContact O-N 3.21Å; L57-A60 WeakPolarHBondContact O-CB 3.44Å; L57-A60 PolarHBondContact O-N 3.04Å; Q58-A60 VanDerWaalsContact C-N 3.34Å; Q58-A60 PolarHBondContact O-N 3.42Å; A60-T64 WeakPolarHBondContact O-CB 3.32Å; A60-T64 WeakPolarHBondContact O-CG2 3.33Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 VanDerWaalsContact O-N 3.09Å; A60-T64 PolarHBondContact O-OG1 3Å
61	C	91.1	Very high	89.4	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-43.9	179.1	-65.7	0	0	0	0	111.3	I45 A47 L57 Q58 Q59 T64 G65 G66 L67	I45-C61 PolarHBondContact O-SG 3.33Å; A47-C61 VanDerWaalsContact CB-SG 3.57Å; L57-C61 PolarHBondContact O-N 2.97Å; L57-C61 PolarHBondContact O-SG 3.4Å; Q58-C61 PolarHBondContact O-N 3.37Å; Q59-C61 PolarHBondContact O-N 3.02Å; C61-T64 PolarHBondContact O-N 3.46Å; C61-G65 CarbonylContact O-C 3.44Å; C61-G65 WeakPolarHBondContact O-CA 3.46Å; C61-G65 PolarHBondContact O-N 3.39Å; C61-G66 PolarHBondContact O-N 2.94Å; C61-L67 PolarHBondContact SG-O 2.72Å; C61-L67 VanDerWaalsContact SG-O 3.33Å
62	D	90.5	Very high	89.5	Confident	87 Å²	87	33.1 Å²	33.1	47%	0.465	20%	0.203	S	C	.	.	H	α-helix	trans	-67.2	-43.3	-179.4	-164.6	46.6	0	0	0	112.3	Q58 Q59 T64 G65 V103 Y105	Q58-D62 PolarHBondContact O-N 3.48Å; Q59-D62 PolarHBondContact O-N 3.22Å; D62-T64 PolarHBondContact O-N 2.95Å; D62-G65 PolarHBondContact O-N 3.27Å; D62-V103 HydrophobicContact CB-CG2 4.01Å; D62-Y105 WeakPolarHBondContact CB-OH 3.19Å; D62-Y105 VanDerWaalsContact CG-OH 3.3Å; D62-Y105 PolarHBondContact OD2-OH 2.91Å
63	I	90.5	Very high	89.6	Confident	36 Å²	36	37 Å²	37	19%	0.185	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-39.5	178.2	-68.9	167.4	0	0	0	112	I35 F36 Q39 Q59	I35-I63 HydrophobicContact CG2-CB 4.01Å; I35-I63 HydrophobicContact CG2-CD1 4.09Å; I35-I63 HydrophobicContact CG2-CG2 3.85Å; F36-I63 HydrophobicContact CD1-CG2 4.46Å; F36-I63 HydrophobicContact CE1-CD1 4.21Å; F36-I63 HydrophobicContact CE1-CG2 4.43Å; Q39-I63 HydrophobicContact CB-CG2 4.26Å; Q39-I63 HydrophobicContact CG-CG2 4.16Å; Q59-I63 HydrophobicContact CB-CD1 4.45Å; Q59-I63 WeakPolarHBondContact O-CB 3.4Å; Q59-I63 WeakPolarHBondContact O-CD1 3.2Å; Q59-I63 WeakPolarHBondContact O-CG1 3.48Å; Q59-I63 PolarHBondContact O-N 3.44Å
64	T	91.3	Very high	89.5	Confident	15 Å²	15	37.4 Å²	37.4	9%	0.092	22%	0.218	C	C	.	.	H	α-helix	trans	-88.9	-12.2	-178.8	61.1	0	0	0	0	113.4	I35 A38 Q39 L44 I45 A60 C61 D62 G66	I35-T64 HydrophobicContact CG2-CG2 4.25Å; A38-T64 HydrophobicContact CB-CG2 4.49Å; Q39-T64 HydrophobicContact CB-CG2 4.39Å; L44-T64 WeakPolarHBondContact CD2-O 3.38Å; I45-T64 HydrophobicContact CB-CG2 4.33Å; I45-T64 HydrophobicContact CD1-CG2 4.01Å; I45-T64 HydrophobicContact CG1-CG2 4.05Å; I45-T64 PolarHBondContact N-OG1 2.79Å; I45-T64 VanDerWaalsContact N-OG1 3.12Å; A60-T64 WeakPolarHBondContact O-CB 3.32Å; A60-T64 WeakPolarHBondContact O-CG2 3.33Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 VanDerWaalsContact O-N 3.09Å; A60-T64 PolarHBondContact O-OG1 3Å; C61-T64 PolarHBondContact O-N 3.46Å; D62-T64 PolarHBondContact O-N 2.95Å; T64-G66 VanDerWaalsContact C-N 3.34Å
65	G	87.9	Confident	89.7	Confident	55 Å²	55	43.4 Å²	43.4	57%	0.567	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	23.1	-171.6	0	0	0	0	0	113.9	C61 D62	C61-G65 CarbonylContact O-C 3.44Å; C61-G65 WeakPolarHBondContact O-CA 3.46Å; C61-G65 PolarHBondContact O-N 3.39Å; D62-G65 PolarHBondContact O-N 3.27Å
66	G	89.7	Confident	89.8	Confident	15 Å²	15	42.9 Å²	42.9	16%	0.155	25%	0.248	C	C	.	.			trans	-84.2	-178.9	173.6	0	0	0	0	0	113.6	I45 D46 C61 T64	I45-G66 WeakPolarHBondContact O-CA 2.94Å; D46-G66 WeakPolarHBondContact OD1-CA 3.4Å; C61-G66 PolarHBondContact O-N 2.94Å; T64-G66 VanDerWaalsContact C-N 3.34Å
67	L	90.4	Very high	90	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.168	25%	0.254	C	S	.	.			trans	-104.6	132.5	-178	-70.3	167.7	0	0	0	111.7	D46 A47 C61 V84 F85 L97	D46-L67 CarbonylContact C-O 3.53Å; D46-L67 WeakPolarHBondContact CA-O 3.44Å; D46-L67 PolarHBondContact OD1-N 3.09Å; A47-L67 PolarHBondContact N-O 2.92Å; C61-L67 PolarHBondContact SG-O 2.72Å; C61-L67 VanDerWaalsContact SG-O 3.33Å; L67-V84 HydrophobicContact CD1-CG1 4.01Å; L67-F85 HydrophobicContact CB-CE1 4.18Å; L67-L97 HydrophobicContact CD1-CD1 4.03Å; L67-L97 HydrophobicContact CD1-CD2 4.35Å; L67-L97 HydrophobicContact CD2-CD1 4.02Å
68	Y	92.3	Very high	90	Very high	28 Å²	28	49.4 Å²	49.4	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.7	171.1	-178.5	-91.4	0	0	0	109.9	A47 V49 D53 S54 L57 Q58 V101	A47-Y68 HydrophobicContact CB-CD2 3.89Å; A47-Y68 HydrophobicContact CB-CE2 4.43Å; V49-Y68 HydrophobicContact CG2-CD2 4.4Å; V49-Y68 HydrophobicContact CG2-CE2 3.45Å; V49-Y68 VanDerWaalsContact CG2-CE2 3.45Å; V49-Y68 WeakPolarHBondContact CG2-OH 3.42Å; D53-Y68 WeakPolarHBondContact CA-OH 3.43Å; D53-Y68 PolarHBondContact OD1-OH 3.45Å; S54-Y68 PolarHBondContact N-OH 3.27Å; L57-Y68 HydrophobicContact CB-CD2 4.29Å; L57-Y68 HydrophobicContact CB-CE2 4.09Å; Q58-Y68 HydrophobicContact CB-CD2 4.43Å; Q58-Y68 HydrophobicContact CG-CD1 3.78Å; Q58-Y68 HydrophobicContact CG-CD2 3.69Å; Q58-Y68 HydrophobicContact CG-CE1 3.64Å; Q58-Y68 HydrophobicContact CG-CE2 3.56Å; Q58-Y68 HydrophobicContact CG-CG 3.8Å; Q58-Y68 PolarHBondContact NE2-OH 2.87Å; Y68-V101 HydrophobicContact CD1-CG2 3.98Å
69	L	91.1	Very high	90	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.7	174.5	-178.7	65.7	0	0	0	111	A47 C48 V49 Y80 V84 F85 P98	A47-L69 PolarHBondContact O-N 3.12Å; C48-L69 WeakPolarHBondContact CA-O 3.43Å; V49-L69 PolarHBondContact N-O 3.4Å; L69-Y80 HydrophobicContact CD2-CD1 3.64Å; L69-Y80 HydrophobicContact CD2-CE1 4.42Å; L69-Y80 HydrophobicContact CD2-CG 3.95Å; L69-V84 HydrophobicContact CD2-CG1 4.44Å; L69-V84 HydrophobicContact CD2-CG2 4.16Å; L69-F85 HydrophobicContact CB-CE2 4.28Å; L69-F85 HydrophobicContact CB-CZ 3.82Å; L69-F85 HydrophobicContact CD2-CE2 4.19Å; L69-P98 HydrophobicContact CD1-CB 4.49Å; L69-P98 HydrophobicContact CD1-CG 4.01Å
70	K	91.2	Very high	90.1	Very high	90 Å²	90	55.9 Å²	55.9	39%	0.391	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.8	161.2	-174.1	-175.2	-167.5	164.6	0	109.3	V49 D51 D53 P72	V49-K70 WeakPolarHBondContact O-CA 3.35Å; D51-K70 WeakPolarHBondContact O-CE 3.35Å; D51-K70 PolarHBondContact O-NZ 3.27Å; D53-K70 IonicContact OD2-NZ 3.51Å; D53-K70 PolarHBondContact OD2-NZ 3.09Å; K70-P72 WeakPolarHBondContact O-CD 3.35Å
71	V	90.1	Very high	90.1	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.042	32%	0.32	C	S	.	.			trans	-76.6	113.4	-178.4	178.5	0	0	0	0	109.3	C48 V49 L50 Q73 M74 L77 Y80	C48-V71 WeakPolarHBondContact SG-CG2 3.17Å; V49-V71 PolarHBondContact O-N 3.4Å; L50-V71 HydrophobicContact CD2-CG2 4.19Å; V71-Q73 VanDerWaalsContact C-N 3.33Å; V71-Q73 VanDerWaalsContact CG1-O 3.26Å; V71-Q73 WeakPolarHBondContact CG1-O 3.38Å; V71-M74 HydrophobicContact CB-CE 3.82Å; V71-M74 HydrophobicContact CG1-CE 3.73Å; V71-L77 HydrophobicContact CG2-CD1 3.92Å; V71-Y80 HydrophobicContact CG1-CD2 3.82Å; V71-Y80 HydrophobicContact CG1-CE2 3.97Å; V71-Y80 HydrophobicContact CG2-CD2 4.49Å
72	P	86.4	Confident	90.1	Very high	96 Å²	96	61.9 Å²	61.9	62%	0.623	34%	0.341	S	S	*	.	S	Bend	trans	-74.6	-26.1	-178.7	30.3	-35.5	0	0	0	112.5	K70 Y80	K70-P72 WeakPolarHBondContact O-CD 3.35Å; P72-Y80 HydrophobicContact CG-CE2 4.29Å; P72-Y80 WeakPolarHBondContact CG-OH 3.05Å
73	Q	87.3	Confident	89.9	Confident	118 Å²	118	66.3 Å²	66.3	55%	0.551	35%	0.351	S	S	*	.			trans	-135.7	110.9	-178.8	-67.4	-176	-4.2	0	0	110.5	V71 P75 S76	V71-Q73 VanDerWaalsContact C-N 3.33Å; V71-Q73 VanDerWaalsContact CG1-O 3.26Å; V71-Q73 WeakPolarHBondContact CG1-O 3.38Å; Q73-P75 VanDerWaalsContact C-CD 3.46Å; Q73-S76 PolarHBondContact O-N 2.86Å; Q73-S76 VanDerWaalsContact O-N 3.15Å
74	M	86.4	Confident	89.8	Confident	87 Å²	87	65.2 Å²	65.2	43%	0.429	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-52.8	-43.7	177.2	-82.5	-66.1	103.8	0	0	114.9	L50 V71 S76 L77	L50-M74 HydrophobicContact CB-CE 3.49Å; L50-M74 VanDerWaalsContact CB-CE 3.49Å; L50-M74 HydrophobicContact CB-SD 4.1Å; L50-M74 HydrophobicContact CD1-SD 4.39Å; L50-M74 HydrophobicContact CD2-CE 3.57Å; L50-M74 HydrophobicContact CD2-SD 4.25Å; L50-M74 HydrophobicContact CG-CE 4Å; L50-M74 HydrophobicContact CG-SD 4.46Å; L50-M74 WeakPolarHBondContact O-CE 3.07Å; V71-M74 HydrophobicContact CB-CE 3.82Å; V71-M74 HydrophobicContact CG1-CE 3.73Å; M74-S76 PolarHBondContact O-N 3.11Å; M74-S76 VanDerWaalsContact O-N 3.12Å; M74-L77 VanDerWaalsContact O-CB 3.26Å; M74-L77 WeakPolarHBondContact O-CB 3.29Å; M74-L77 PolarHBondContact O-N 2.67Å
75	P	90.9	Very high	89.7	Confident	126 Å²	126	65 Å²	65	82%	0.818	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25.8	-179.6	-25.1	36	0	0	0	113.5	Q73 L77	Q73-P75 VanDerWaalsContact C-CD 3.46Å; P75-L77 VanDerWaalsContact C-N 3.33Å
76	S	90	Very high	89.7	Confident	26 Å²	26	68.4 Å²	68.4	18%	0.182	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-92.2	11.7	-179.1	-50.6	0	0	0	0	113	Q73 M74 L78 Q79 Y80	Q73-S76 PolarHBondContact O-N 2.86Å; Q73-S76 VanDerWaalsContact O-N 3.15Å; M74-S76 PolarHBondContact O-N 3.11Å; M74-S76 VanDerWaalsContact O-N 3.12Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.82Å; S76-Q79 WeakPolarHBondContact O-CB 3.1Å; S76-Q79 PolarHBondContact O-N 3.04Å; S76-Y80 WeakPolarHBondContact O-CD2 3.47Å; S76-Y80 PolarHBondContact O-N 3.08Å
77	L	90.1	Very high	89.5	Confident	43 Å²	43	69 Å²	69	23%	0.225	35%	0.35	C	S	.	.	H	α-helix	trans	-52.9	-45.1	-178.2	176.9	62.1	0	0	0	112.6	L50 V71 M74 P75 Q79 Y80 L81	L50-L77 HydrophobicContact CD2-CD1 3.65Å; L50-L77 HydrophobicContact CD2-CD2 4.16Å; V71-L77 HydrophobicContact CG2-CD1 3.92Å; M74-L77 VanDerWaalsContact O-CB 3.26Å; M74-L77 WeakPolarHBondContact O-CB 3.29Å; M74-L77 PolarHBondContact O-N 2.67Å; P75-L77 VanDerWaalsContact C-N 3.33Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-Q79 PolarHBondContact O-N 3.39Å; L77-Y80 PolarHBondContact O-N 2.82Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.25Å; L77-L81 HydrophobicContact CG-CD1 4.02Å; L77-L81 HydrophobicContact CG-CG 4.4Å; L77-L81 WeakPolarHBondContact O-CG 3.15Å; L77-L81 PolarHBondContact O-N 3.1Å
78	L	91.5	Very high	89.2	Confident	118 Å²	118	71 Å²	71	62%	0.618	36%	0.36	S	S	*	.	H	α-helix	trans	-59.5	-40.4	178.6	179.6	63.4	0	0	0	111.7	S76 Y80 L81 L82	S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.82Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 3.04Å; L78-L81 PolarHBondContact O-N 2.66Å; L78-L82 HydrophobicContact CD1-CD1 3.96Å; L78-L82 HydrophobicContact CD1-CG 4.09Å; L78-L82 HydrophobicContact CG-CD1 3.89Å; L78-L82 HydrophobicContact CG-CG 4.39Å; L78-L82 WeakPolarHBondContact O-CB 3.5Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 2.74Å; L78-L82 PolarHBondContact O-N 3.37Å
79	Q	91.3	Very high	88.4	Confident	112 Å²	112	73.3 Å²	73.3	52%	0.523	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.9	-175.6	-179.4	-7.5	0	0	110.8	S76 L77 L82 W83	S76-Q79 WeakPolarHBondContact O-CB 3.1Å; S76-Q79 PolarHBondContact O-N 3.04Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-Q79 PolarHBondContact O-N 3.39Å; Q79-L82 PolarHBondContact O-N 2.74Å; Q79-W83 WeakPolarHBondContact O-CB 3.36Å; Q79-W83 PolarHBondContact O-N 3.17Å
80	Y	90.9	Very high	87.8	Confident	57 Å²	57	76.4 Å²	76.4	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-64.6	-42	176.6	-66.1	-65.3	0	0	0	112.4	L69 V71 P72 S76 L77 L78 L82 V84	L69-Y80 HydrophobicContact CD2-CD1 3.64Å; L69-Y80 HydrophobicContact CD2-CE1 4.42Å; L69-Y80 HydrophobicContact CD2-CG 3.95Å; V71-Y80 HydrophobicContact CG1-CD2 3.82Å; V71-Y80 HydrophobicContact CG1-CE2 3.97Å; V71-Y80 HydrophobicContact CG2-CD2 4.49Å; P72-Y80 HydrophobicContact CG-CE2 4.29Å; P72-Y80 WeakPolarHBondContact CG-OH 3.05Å; S76-Y80 WeakPolarHBondContact O-CD2 3.47Å; S76-Y80 PolarHBondContact O-N 3.08Å; L77-Y80 PolarHBondContact O-N 2.82Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 3.04Å; Y80-L82 VanDerWaalsContact C-N 3.33Å; Y80-L82 PolarHBondContact O-N 2.86Å; Y80-V84 VanDerWaalsContact O-CB 3.3Å; Y80-V84 WeakPolarHBondContact O-CB 3.47Å; Y80-V84 PolarHBondContact O-N 3.31Å
81	L	91.1	Very high	87.3	Confident	44 Å²	44	76.6 Å²	76.6	23%	0.23	39%	0.391	C	S	.	.	I	π-helix	trans	-59.2	-43.7	176	-69.6	173.6	0	0	0	112.1	L16 I18 L77 L78 F85 L86	L16-L81 HydrophobicContact CD2-CD2 3.96Å; I18-L81 HydrophobicContact CD1-CD2 4.43Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.25Å; L77-L81 HydrophobicContact CG-CD1 4.02Å; L77-L81 HydrophobicContact CG-CG 4.4Å; L77-L81 WeakPolarHBondContact O-CG 3.15Å; L77-L81 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.66Å; L81-F85 HydrophobicContact CD2-CD2 4.12Å; L81-F85 PolarHBondContact O-N 2.92Å; L81-L86 PolarHBondContact O-N 3.09Å; L81-L86 VanDerWaalsContact O-N 3.12Å
82	L	90.5	Very high	86.9	Confident	87 Å²	87	77.2 Å²	77.2	46%	0.455	39%	0.393	S	S	.	.	I	π-helix	trans	-75.4	-39.6	-178.9	-67.8	173.6	0	0	0	113.4	L78 Q79 Y80 L86	L78-L82 HydrophobicContact CD1-CD1 3.96Å; L78-L82 HydrophobicContact CD1-CG 4.09Å; L78-L82 HydrophobicContact CG-CD1 3.89Å; L78-L82 HydrophobicContact CG-CG 4.39Å; L78-L82 WeakPolarHBondContact O-CB 3.5Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 2.74Å; L78-L82 PolarHBondContact O-N 3.37Å; Q79-L82 PolarHBondContact O-N 2.74Å; Y80-L82 VanDerWaalsContact C-N 3.33Å; Y80-L82 PolarHBondContact O-N 2.86Å; L82-L86 HydrophobicContact CD2-CD2 3.94Å; L82-L86 WeakPolarHBondContact O-CB 3.16Å
83	W	87.7	Confident	86.4	Confident	180 Å²	180	77.8 Å²	77.8	68%	0.682	40%	0.399	S	S	*	.	I	π-helix	trans	-86.8	-34.5	-174.4	-86.4	81.5	0	0	0	113.9	Q79 P87	Q79-W83 WeakPolarHBondContact O-CB 3.36Å; Q79-W83 PolarHBondContact O-N 3.17Å; W83-P87 WeakPolarHBondContact O-CG 3.23Å
84	V	88.3	Confident	86.2	Confident	14 Å²	14	79 Å²	79	9%	0.085	41%	0.405	C	S	.	.	I	π-helix	trans	-98.1	-43.4	-172.8	-179	0	0	0	0	111.4	L67 L69 Y80 L97	L67-V84 HydrophobicContact CD1-CG1 4.01Å; L69-V84 HydrophobicContact CD2-CG1 4.44Å; L69-V84 HydrophobicContact CD2-CG2 4.16Å; Y80-V84 VanDerWaalsContact O-CB 3.3Å; Y80-V84 WeakPolarHBondContact O-CB 3.47Å; Y80-V84 PolarHBondContact O-N 3.31Å; V84-L97 HydrophobicContact CG1-CD2 4.36Å
85	F	89.4	Confident	86	Confident	11 Å²	11	77.8 Å²	77.8	5%	0.048	40%	0.4	C	S	.	.	I	π-helix	trans	-100.5	-26.4	-168.5	-62	-70.8	0	0	0	114.5	R14 L16 D46 C48 L67 L69 L81	R14-F85 PolarHBondContact NH1-O 3.22Å; L16-F85 HydrophobicContact CD1-CB 4.25Å; L16-F85 HydrophobicContact CD1-CD1 3.51Å; L16-F85 HydrophobicContact CD1-CD2 4.33Å; L16-F85 HydrophobicContact CD1-CE1 3.81Å; L16-F85 HydrophobicContact CD1-CG 3.78Å; L16-F85 HydrophobicContact CD1-CZ 4.31Å; L16-F85 HydrophobicContact CD2-CB 4.19Å; L16-F85 HydrophobicContact CD2-CG 4.42Å; D46-F85 HydrophobicContact CB-CD1 3.68Å; D46-F85 HydrophobicContact CB-CE1 3.78Å; C48-F85 HydrophobicContact CB-CE2 3.73Å; C48-F85 HydrophobicContact CB-CZ 3.79Å; L67-F85 HydrophobicContact CB-CE1 4.18Å; L69-F85 HydrophobicContact CB-CE2 4.28Å; L69-F85 HydrophobicContact CB-CZ 3.82Å; L69-F85 HydrophobicContact CD2-CE2 4.19Å; L81-F85 HydrophobicContact CD2-CD2 4.12Å; L81-F85 PolarHBondContact O-N 2.92Å
86	L	87.8	Confident	85.4	Confident	125 Å²	125	80.3 Å²	80.3	65%	0.654	40%	0.404	S	S	*	.	S	Bend	trans	-67.9	-39.2	176.9	-166.4	68.1	0	0	0	114.6	L81 L82	L81-L86 PolarHBondContact O-N 3.09Å; L81-L86 VanDerWaalsContact O-N 3.12Å; L82-L86 HydrophobicContact CD2-CD2 3.94Å; L82-L86 WeakPolarHBondContact O-CB 3.16Å
87	P	85.7	Confident	85	Confident	27 Å²	27	81.1 Å²	81.1	18%	0.175	41%	0.407	C	S	.	.	S	Bend	trans	-59.9	142	-177.8	-25	35.2	0	0	0	112.7	R14 W83 L95	R14-P87 PolarHBondContact NH1-O 3.25Å; W83-P87 WeakPolarHBondContact O-CG 3.23Å; P87-L95 HydrophobicContact CB-CD1 3.58Å; P87-L95 HydrophobicContact CG-CD1 3.57Å
88	D	82.4	Confident	84.4	Confident	74 Å²	74	81.8 Å²	81.8	40%	0.396	41%	0.414	S	S	.	.			trans	-68.8	158.1	177.3	-166.9	30.3	0	0	0	111.8	R14 D90 Q91 R92	R14-D88 IonicContact NH2-OD1 3.67Å; D88-D90 VanDerWaalsContact C-N 3.26Å; D88-D90 PolarHBondContact O-N 2.86Å; D88-Q91 PolarHBondContact O-N 3.11Å; D88-Q91 VanDerWaalsContact O-N 3.07Å; D88-R92 PolarHBondContact O-N 2.97Å
89	Q	76	Confident	83.7	Confident	77 Å²	77	81.4 Å²	81.4	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-56.3	-42.4	-171.6	-176.5	-179.9	6.2	0	0	111.9	L44 Q91 R92	L44-Q89 HydrophobicContact CD1-CB 4.06Å; L44-Q89 VanDerWaalsContact CD1-CD 3.48Å; L44-Q89 HydrophobicContact CD1-CG 3.77Å; Q89-Q91 PolarHBondContact O-N 2.96Å; Q89-R92 WeakPolarHBondContact O-CB 3.5Å; Q89-R92 PolarHBondContact O-N 3.27Å
90	D	79.3	Confident	82.7	Confident	85 Å²	85	82 Å²	82	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-31.9	-176.5	-57.7	-27.2	0	0	0	111.4	K12 D88 S93	K12-D90 IonicContact NZ-OD1 2.68Å; K12-D90 PolarHBondContact NZ-OD1 3.39Å; K12-D90 IonicContact NZ-OD2 3.49Å; K12-D90 PolarHBondContact NZ-OD2 3.11Å; D88-D90 VanDerWaalsContact C-N 3.26Å; D88-D90 PolarHBondContact O-N 2.86Å; D90-S93 PolarHBondContact O-OG 3Å; D90-S93 VanDerWaalsContact O-OG 3.11Å
91	Q	80.8	Confident	81.9	Confident	95 Å²	95	82.6 Å²	82.6	44%	0.444	44%	0.441	S	S	.	.	H	α-helix	trans	-81.8	-17.3	-179.2	-56.1	-54.5	-48.7	0	0	113.1	D88 Q89 S93 Q94	D88-Q91 PolarHBondContact O-N 3.11Å; D88-Q91 VanDerWaalsContact O-N 3.07Å; Q89-Q91 PolarHBondContact O-N 2.96Å; Q91-S93 VanDerWaalsContact C-N 3.26Å; Q91-S93 PolarHBondContact O-N 3.37Å; Q91-Q94 PolarHBondContact O-N 2.97Å; Q91-Q94 VanDerWaalsContact O-N 3.08Å
92	R	81.7	Confident	81.2	Confident	20 Å²	20	88.8 Å²	88.8	8%	0.075	47%	0.468	C	S	.	.	H	α-helix	trans	-60.8	-34.9	-179.9	-72.8	177.1	-178.4	-176	-13.6	113.1	D46 D88 Q89 Q94 L95 L97	D46-R92 IonicContact OD1-CZ 3.26Å; D46-R92 IonicContact OD1-NH1 2.73Å; D46-R92 PolarHBondContact OD1-NH1 3.06Å; D46-R92 VanDerWaalsContact OD1-NH1 3.08Å; D46-R92 IonicContact OD1-NH2 2.75Å; D46-R92 PolarHBondContact OD1-NH2 3.2Å; D46-R92 IonicContact OD2-CZ 3.69Å; D46-R92 IonicContact OD2-NH1 3.69Å; D46-R92 IonicContact OD2-NH2 3.55Å; D46-R92 PolarHBondContact OD2-NH2 3.42Å; D88-R92 PolarHBondContact O-N 2.97Å; Q89-R92 WeakPolarHBondContact O-CB 3.5Å; Q89-R92 PolarHBondContact O-N 3.27Å; R92-Q94 PolarHBondContact O-N 3.49Å; R92-L95 PolarHBondContact O-N 3.01Å; R92-L95 VanDerWaalsContact O-N 3.15Å; R92-L97 HydrophobicContact CB-CD1 3.73Å; R92-L97 HydrophobicContact CG-CD1 4.1Å; R92-L97 WeakPolarHBondContact O-CD1 3.4Å
93	S	76.3	Confident	80.7	Confident	107 Å²	107	85.5 Å²	85.5	75%	0.748	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.2	177.5	64.3	0	0	0	0	113.7	D90 Q91	D90-S93 PolarHBondContact O-OG 3Å; D90-S93 VanDerWaalsContact O-OG 3.11Å; Q91-S93 VanDerWaalsContact C-N 3.26Å; Q91-S93 PolarHBondContact O-N 3.37Å
94	Q	82.6	Confident	80.3	Confident	143 Å²	143	79.6 Å²	79.6	67%	0.668	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-9.4	-179.2	-54.2	-179.2	19.3	0	0	112.4	Q91 R92	Q91-Q94 PolarHBondContact O-N 2.97Å; Q91-Q94 VanDerWaalsContact O-N 3.08Å; R92-Q94 PolarHBondContact O-N 3.49Å
95	L	81.4	Confident	79.9	Confident	62 Å²	62	84.6 Å²	84.6	33%	0.325	45%	0.452	S	S	.	.	S	Bend	trans	-97.6	145.9	-178.3	-65	170.6	0	0	0	110.3	P87 R92 L97	P87-L95 HydrophobicContact CB-CD1 3.58Å; P87-L95 HydrophobicContact CG-CD1 3.57Å; R92-L95 PolarHBondContact O-N 3.01Å; R92-L95 VanDerWaalsContact O-N 3.15Å; L95-L97 HydrophobicContact CB-CD2 4.27Å; L95-L97 HydrophobicContact CB-CG 4.11Å; L95-L97 PolarHBondContact O-N 3.21Å
96	I	78.8	Confident	79.6	Confident	179 Å²	179	88.6 Å²	88.6	92%	0.918	47%	0.467	S	S	*	.			trans	-78.6	93.8	169.4	-58.3	171.9	0	0	0	107
97	L	81.1	Confident	79.2	Confident	44 Å²	44	84 Å²	84	23%	0.23	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-92.4	156.1	178.3	-66.1	172.4	0	0	0	111.1	L67 V84 R92 L95	L67-L97 HydrophobicContact CD1-CD1 4.03Å; L67-L97 HydrophobicContact CD1-CD2 4.35Å; L67-L97 HydrophobicContact CD2-CD1 4.02Å; V84-L97 HydrophobicContact CG1-CD2 4.36Å; R92-L97 HydrophobicContact CB-CD1 3.73Å; R92-L97 HydrophobicContact CG-CD1 4.1Å; R92-L97 WeakPolarHBondContact O-CD1 3.4Å; L95-L97 HydrophobicContact CB-CD2 4.27Å; L95-L97 HydrophobicContact CB-CG 4.11Å; L95-L97 PolarHBondContact O-N 3.21Å
98	P	78.2	Confident	79.1	Confident	57 Å²	57	83.6 Å²	83.6	37%	0.37	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-53	141.3	171.8	-22.7	32.3	0	0	0	110.9	L69	L69-P98 HydrophobicContact CD1-CB 4.49Å; L69-P98 HydrophobicContact CD1-CG 4.01Å
99	P	75.8	Confident	79.3	Confident	109 Å²	109	80.2 Å²	80.2	71%	0.708	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-62.1	148	178.5	26.8	-33.8	0	0	0	110.5	V101	P99-V101 PolarHBondContact O-N 3.07Å
100	P	71.4	Confident	79.7	Confident	124 Å²	124	80.6 Å²	80.6	81%	0.805	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-60.1	137.6	176.2	24	-31.6	0	0	0	110.4
101	V	74.8	Confident	79.8	Confident	71 Å²	71	79.4 Å²	79.4	43%	0.43	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-81.2	142.6	179.7	-174.6	0	0	0	0	109.1	Y68 P99 V103	Y68-V101 HydrophobicContact CD1-CG2 3.98Å; P99-V101 PolarHBondContact O-N 3.07Å; V101-V103 WeakPolarHBondContact O-CG2 3.3Å; V101-V103 PolarHBondContact O-N 3.34Å; V101-V103 VanDerWaalsContact O-N 3.15Å
102	H	75.1	Confident	79.8	Confident	174 Å²	174	80.2 Å²	80.2	81%	0.806	43%	0.43	S	S	*	.			trans	-65.4	115.2	173.9	-171.6	-70.3	0	0	0	109.9
103	V	80.8	Confident	79.7	Confident	17 Å²	17	84.2 Å²	84.2	10%	0.103	45%	0.445	C	S	.	.			trans	-90.9	133.6	-177.4	-172.4	0	0	0	0	110.4	Q58 Q59 D62 V101 Y105	Q58-V103 HydrophobicContact CB-CG1 4.09Å; Q58-V103 HydrophobicContact CB-CG2 4.06Å; Q59-V103 HydrophobicContact CB-CG1 4.16Å; Q59-V103 HydrophobicContact CG-CG1 3.35Å; D62-V103 HydrophobicContact CB-CG2 4.01Å; V101-V103 WeakPolarHBondContact O-CG2 3.3Å; V101-V103 PolarHBondContact O-N 3.34Å; V101-V103 VanDerWaalsContact O-N 3.15Å; V103-Y105 HydrophobicContact CB-CD2 4.26Å; V103-Y105 HydrophobicContact CB-CE2 3.79Å; V103-Y105 HydrophobicContact CG1-CD2 4.26Å; V103-Y105 HydrophobicContact CG1-CE2 3.9Å
104	D	78.8	Confident	79.9	Confident	57 Å²	57	84.1 Å²	84.1	31%	0.305	44%	0.436	S	S	.	.			trans	-86.1	115.1	172.5	-174.5	-6.1	0	0	0	109.9	Q59 R106	Q59-D104 PolarHBondContact NE2-O 3.05Å; D104-R106 WeakPolarHBondContact OD1-CB 3.35Å; D104-R106 WeakPolarHBondContact OD1-CG 3.31Å; D104-R106 PolarHBondContact OD1-N 3.41Å; D104-R106 IonicContact OD1-NE 3.1Å; D104-R106 PolarHBondContact OD1-NE 3.39Å; D104-R106 VanDerWaalsContact OD1-NE 3.1Å; D104-R106 IonicContact OD2-CZ 3.13Å; D104-R106 IonicContact OD2-NE 2.82Å; D104-R106 PolarHBondContact OD2-NE 2.92Å; D104-R106 IonicContact OD2-NH2 2.67Å; D104-R106 PolarHBondContact OD2-NH2 3.43Å
105	Y	79.4	Confident	79.9	Confident	118 Å²	118	81.7 Å²	81.7	46%	0.463	43%	0.427	S	S	.	.			trans	-97	11.7	-177.5	-81.7	-74.8	0	0	0	114.3	Q59 D62 V103 A107	Q59-Y105 HydrophobicContact CG-CD1 4.26Å; Q59-Y105 HydrophobicContact CG-CE1 4.06Å; D62-Y105 WeakPolarHBondContact CB-OH 3.19Å; D62-Y105 VanDerWaalsContact CG-OH 3.3Å; D62-Y105 PolarHBondContact OD2-OH 2.91Å; V103-Y105 HydrophobicContact CB-CD2 4.26Å; V103-Y105 HydrophobicContact CB-CE2 3.79Å; V103-Y105 HydrophobicContact CG1-CD2 4.26Å; V103-Y105 HydrophobicContact CG1-CE2 3.9Å; Y105-A107 PolarHBondContact O-N 2.89Å
106	R	83	Confident	80.1	Confident	95 Å²	95	80.1 Å²	80.1	36%	0.358	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-56.9	137.1	176.7	-73.5	179.3	-58.5	169.1	5.9	111	D104 L115 E117	D104-R106 WeakPolarHBondContact OD1-CB 3.35Å; D104-R106 WeakPolarHBondContact OD1-CG 3.31Å; D104-R106 PolarHBondContact OD1-N 3.41Å; D104-R106 IonicContact OD1-NE 3.1Å; D104-R106 PolarHBondContact OD1-NE 3.39Å; D104-R106 VanDerWaalsContact OD1-NE 3.1Å; D104-R106 IonicContact OD2-CZ 3.13Å; D104-R106 IonicContact OD2-NE 2.82Å; D104-R106 PolarHBondContact OD2-NE 2.92Å; D104-R106 IonicContact OD2-NH2 2.67Å; D104-R106 PolarHBondContact OD2-NH2 3.43Å; R106-L115 HydrophobicContact CB-CB 4.28Å; R106-L115 HydrophobicContact CB-CD2 4.42Å; R106-L115 VanDerWaalsContact O-CD2 3.31Å; R106-L115 WeakPolarHBondContact O-CD2 3.38Å; R106-E117 HydrophobicContact CG-CG 4.36Å; R106-E117 IonicContact NH1-OE1 3.79Å
107	A	80.4	Confident	80.4	Confident	30 Å²	30	79.2 Å²	79.2	25%	0.248	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	141.2	178.1	0	0	0	0	0	110.8	Y105 L115 I116 I128	Y105-A107 PolarHBondContact O-N 2.89Å; A107-L115 WeakPolarHBondContact O-CA 3.48Å; A107-I116 WeakPolarHBondContact O-CG1 3.13Å; A107-I116 PolarHBondContact O-N 3.45Å; A107-I128 HydrophobicContact CB-CD1 3.46Å; A107-I128 VanDerWaalsContact CB-CD1 3.46Å; A107-I128 HydrophobicContact CB-CG2 4.33Å
108	A	83.3	Confident	80.7	Confident	18 Å²	18	84.3 Å²	84.3	15%	0.149	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131	167.3	0	0	0	0	0	110.2	Y28 N114 L115	Y28-A108 HydrophobicContact CE1-CB 4.46Å; A108-N114 CarbonylContact C-O 3.56Å; A108-N114 WeakPolarHBondContact CA-O 3.48Å; A108-L115 HydrophobicContact CB-CD2 4.26Å
109	C	87.1	Confident	81.3	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.014	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-71.6	141.4	175.3	66.8	0	0	0	0	111.5	C111 R113 N114 I116 I128 C130	C109-C111 PolarHBondContact O-N 2.99Å; C109-R113 WeakPolarHBondContact O-CA 3.45Å; C109-R113 PolarHBondContact O-N 3.21Å; C109-N114 PolarHBondContact N-O 2.87Å; C109-N114 PolarHBondContact SG-O 3.22Å; C109-I116 HydrophobicContact CB-CD1 4.04Å; C109-I116 HydrophobicContact CB-CG1 4.47Å; C109-I116 HydrophobicContact CB-CG2 4.29Å; C109-I128 CarbonylContact C-O 3.59Å; C109-I128 WeakPolarHBondContact CA-O 3.45Å; C109-C130 HydrophobicContact CB-CB 4.02Å
110	F	83.7	Confident	81.9	Confident	85 Å²	85	83.8 Å²	83.8	37%	0.373	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.5	178.3	-85.4	-102.5	0	0	0	113.2	M29 I128 F129	M29-F110 HydrophobicContact CE-CD1 4.34Å; M29-F110 HydrophobicContact CE-CE1 3.95Å; M29-F110 HydrophobicContact SD-CD1 4.3Å; M29-F110 HydrophobicContact SD-CE1 3.36Å; M29-F110 WeakPolarHBondContact SD-CE1 3.28Å; M29-F110 HydrophobicContact SD-CZ 3.81Å; F110-I128 PolarHBondContact N-O 3.23Å; F110-F129 HydrophobicContact CB-CD1 4.43Å; F110-F129 HydrophobicContact CB-CE1 4.11Å
111	C	81.3	Confident	82.8	Confident	60 Å²	60	82.4 Å²	82.4	41%	0.405	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-53.4	178.8	-59	0	0	0	0	112.4	C109 F129	C109-C111 PolarHBondContact O-N 2.99Å; C111-F129 VanDerWaalsContact SG-CD1 3.52Å
112	H	80.9	Confident	83.5	Confident	113 Å²	113	79 Å²	79	52%	0.523	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-8.2	-169	-52.6	110.2	0	0	0	113.2	N114 C130	H112-N114 HydrophobicContact CB-CB 4.48Å; H112-N114 PolarHBondContact O-N 2.94Å; H112-C130 PolarHBondContact CE1-SG 3.33Å; H112-C130 PolarHBondContact ND1-SG 3.44Å
113	R	79	Confident	84.2	Confident	104 Å²	104	75.5 Å²	75.5	39%	0.392	39%	0.387	S	S	.	.			trans	61.8	18.1	-174	-52.2	173.8	-177.5	-109.5	4.1	114.1	A25 L26 C109	A25-R113 HydrophobicContact CB-CB 4.24Å; A25-R113 PolarHBondContact O-NH1 2.81Å; L26-R113 PolarHBondContact O-NH1 3.44Å; C109-R113 WeakPolarHBondContact O-CA 3.45Å; C109-R113 PolarHBondContact O-N 3.21Å
114	N	80.3	Confident	84.6	Confident	105 Å²	105	79.1 Å²	79.1	56%	0.561	41%	0.409	S	S	*	.			trans	-86.9	143	174.6	-66.7	-21	0	0	0	110.1	A108 C109 H112	A108-N114 CarbonylContact C-O 3.56Å; A108-N114 WeakPolarHBondContact CA-O 3.48Å; C109-N114 PolarHBondContact N-O 2.87Å; C109-N114 PolarHBondContact SG-O 3.22Å; H112-N114 HydrophobicContact CB-CB 4.48Å; H112-N114 PolarHBondContact O-N 2.94Å
115	L	82.4	Confident	85.1	Confident	91 Å²	91	78.7 Å²	78.7	48%	0.476	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.4	171.5	-63.2	173	0	0	0	109.8	R106 A107 A108	R106-L115 HydrophobicContact CB-CB 4.28Å; R106-L115 HydrophobicContact CB-CD2 4.42Å; R106-L115 VanDerWaalsContact O-CD2 3.31Å; R106-L115 WeakPolarHBondContact O-CD2 3.38Å; A107-L115 WeakPolarHBondContact O-CA 3.48Å; A108-L115 HydrophobicContact CB-CD2 4.26Å
116	I	86.2	Confident	85.5	Confident	30 Å²	30	79.1 Å²	79.1	15%	0.154	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.8	178.4	61.4	169.8	0	0	0	110.7	A107 C109 I128 C130	A107-I116 WeakPolarHBondContact O-CG1 3.13Å; A107-I116 PolarHBondContact O-N 3.45Å; C109-I116 HydrophobicContact CB-CD1 4.04Å; C109-I116 HydrophobicContact CB-CG1 4.47Å; C109-I116 HydrophobicContact CB-CG2 4.29Å; I116-I128 HydrophobicContact CD1-CG2 3.82Å; I116-C130 HydrophobicContact CD1-CB 4.46Å; I116-C130 HydrophobicContact CG2-CB 4.06Å
117	E	84.9	Confident	85.8	Confident	160 Å²	160	74.9 Å²	74.9	75%	0.748	40%	0.404	S	S	*	.	S	Bend	trans	-87.1	-38.4	174.1	-71.8	179.1	-176.2	0	0	112.2	R106	R106-E117 HydrophobicContact CG-CG 4.36Å; R106-E117 IonicContact NH1-OE1 3.79Å
118	I	88.4	Confident	86.2	Confident	150 Å²	150	75.5 Å²	75.5	77%	0.769	40%	0.403	S	S	*	.	S	Bend	trans	-125.6	131.3	178.3	-56.8	174.5	0	0	0	107.9
119	G	89.9	Confident	86.5	Confident	32 Å²	32	75.4 Å²	75.4	33%	0.33	40%	0.4	S	S	.	.			trans	-151.5	170.5	-180	0	0	0	0	0	113	F129	G119-F129 CarbonylContact C-O 3.58Å; G119-F129 VanDerWaalsContact CA-O 3.28Å; G119-F129 WeakPolarHBondContact CA-O 3.43Å
120	Y	89.6	Confident	86.7	Confident	124 Å²	124	76.7 Å²	76.7	49%	0.486	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.6	175.7	-62.1	-88.4	0	0	0	109.6	I128 F129 F132	Y120-I128 CarbonylContact O-C 3.44Å; Y120-I128 WeakPolarHBondContact O-CA 3.44Å; Y120-F129 PolarHBondContact N-O 2.82Å; Y120-F129 PolarHBondContact O-N 3.3Å; Y120-F132 HydrophobicContact CD1-CB 4.29Å; Y120-F132 AromaticContact CD1-CD2 3.82Å; Y120-F132 HydrophobicContact CD1-CD2 3.82Å; Y120-F132 HydrophobicContact CD2-CB 4.1Å; Y120-F132 HydrophobicContact CE1-CB 3.95Å; Y120-F132 AromaticContact CE1-CD2 3.87Å; Y120-F132 HydrophobicContact CE1-CD2 3.87Å; Y120-F132 HydrophobicContact CE1-CG 4.32Å; Y120-F132 HydrophobicContact CE2-CB 3.75Å; Y120-F132 VanDerWaalsContact CE2-N 3.33Å; Y120-F132 HydrophobicContact CG-CB 4.35Å; Y120-F132 HydrophobicContact CG-CD2 4.37Å
121	V	89.9	Confident	86.9	Confident	94 Å²	94	78.1 Å²	78.1	57%	0.57	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	131	-179.5	-173.6	0	0	0	0	109.6	S123 L126 S127 I128	V121-S123 PolarHBondContact O-N 2.88Å; V121-L126 HydrophobicContact CG1-CD2 4.34Å; V121-S127 WeakPolarHBondContact CA-O 3.19Å; V121-I128 HydrophobicContact CG2-CG1 4.29Å
122	C	89.6	Confident	87.1	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.007	42%	0.42	C	S	.	.			trans	-67.2	125.5	171.1	176.2	0	0	0	0	110.2	V124 C125 L126 S127 F129 F143	C122-V124 PolarHBondContact O-N 3.2Å; C122-V124 PolarHBondContact SG-N 2.82Å; C122-C125 PolarHBondContact SG-N 3.32Å; C122-C125 PolarHBondContact SG-SG 2.83Å; C122-L126 WeakPolarHBondContact O-CA 3.5Å; C122-L126 PolarHBondContact O-N 2.97Å; C122-S127 PolarHBondContact N-O 3.42Å; C122-F129 HydrophobicContact CB-CE2 4.15Å; C122-F143 HydrophobicContact CB-CZ 4.1Å; C122-F143 VanDerWaalsContact SG-CZ 3.53Å
123	S	88.8	Confident	87.3	Confident	100 Å²	100	76.7 Å²	76.7	70%	0.699	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.7	177.8	63.6	0	0	0	0	114.3	V121	V121-S123 PolarHBondContact O-N 2.88Å
124	V	89.4	Confident	87.5	Confident	93 Å²	93	75.2 Å²	75.2	56%	0.564	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-55.5	-178	-178.3	0	0	0	0	111.3	C122 T141	C122-V124 PolarHBondContact O-N 3.2Å; C122-V124 PolarHBondContact SG-N 2.82Å; V124-T141 HydrophobicContact CG2-CG2 4.03Å
125	C	89.2	Confident	87.9	Confident	47 Å²	47	74.5 Å²	74.5	32%	0.318	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	2.6	-175.3	67.2	0	0	0	0	114.3	C122 S127 C139	C122-C125 PolarHBondContact SG-N 3.32Å; C122-C125 PolarHBondContact SG-SG 2.83Å; C125-S127 PolarHBondContact O-N 3.1Å; C125-S127 PolarHBondContact SG-OG 3.5Å; C125-C139 HydrophobicContact CB-CB 3.97Å
126	L	88.8	Confident	88.2	Confident	127 Å²	127	70.2 Å²	70.2	67%	0.665	39%	0.388	S	S	*	.			trans	58.1	13.3	-179.1	-56.2	175.7	0	0	0	114.9	V121 C122	V121-L126 HydrophobicContact CG1-CD2 4.34Å; C122-L126 WeakPolarHBondContact O-CA 3.5Å; C122-L126 PolarHBondContact O-N 2.97Å
127	S	87.7	Confident	88.2	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.042	41%	0.41	C	S	.	.			trans	-65.8	139.1	175	-57.3	0	0	0	0	111.1	V121 C122 C125 T138	V121-S127 WeakPolarHBondContact CA-O 3.19Å; C122-S127 PolarHBondContact N-O 3.42Å; C125-S127 PolarHBondContact O-N 3.1Å; C125-S127 PolarHBondContact SG-OG 3.5Å; S127-T138 PolarHBondContact OG-OG1 3.32Å
128	I	89.5	Confident	88.3	Confident	44 Å²	44	69.4 Å²	69.4	23%	0.226	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.2	-174	-57	173.6	0	0	0	109.8	A107 C109 F110 I116 Y120 V121	A107-I128 HydrophobicContact CB-CD1 3.46Å; A107-I128 VanDerWaalsContact CB-CD1 3.46Å; A107-I128 HydrophobicContact CB-CG2 4.33Å; C109-I128 CarbonylContact C-O 3.59Å; C109-I128 WeakPolarHBondContact CA-O 3.45Å; F110-I128 PolarHBondContact N-O 3.23Å; I116-I128 HydrophobicContact CD1-CG2 3.82Å; Y120-I128 CarbonylContact O-C 3.44Å; Y120-I128 WeakPolarHBondContact O-CA 3.44Å; V121-I128 HydrophobicContact CG2-CG1 4.29Å
129	F	90	Very high	88.4	Confident	16 Å²	16	64.4 Å²	64.4	7%	0.07	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.6	-176.4	-55.8	-66.7	0	0	0	111.8	F110 C111 G119 Y120 C122 C136 T137	F110-F129 HydrophobicContact CB-CD1 4.43Å; F110-F129 HydrophobicContact CB-CE1 4.11Å; C111-F129 VanDerWaalsContact SG-CD1 3.52Å; G119-F129 CarbonylContact C-O 3.58Å; G119-F129 VanDerWaalsContact CA-O 3.28Å; G119-F129 WeakPolarHBondContact CA-O 3.43Å; Y120-F129 PolarHBondContact N-O 2.82Å; Y120-F129 PolarHBondContact O-N 3.3Å; C122-F129 HydrophobicContact CB-CE2 4.15Å; F129-C136 WeakPolarHBondContact CZ-SG 3.36Å; F129-T137 VanDerWaalsContact CE1-OG1 3.26Å; F129-T137 WeakPolarHBondContact CE1-OG1 3.26Å
130	C	90.2	Very high	88.4	Confident	28 Å²	28	70.7 Å²	70.7	19%	0.189	39%	0.394	C	S	.	.	S	Bend	trans	-77.9	-26.4	178.8	60.4	0	0	0	0	113.2	C109 H112 I116	C109-C130 HydrophobicContact CB-CB 4.02Å; H112-C130 PolarHBondContact CE1-SG 3.33Å; H112-C130 PolarHBondContact ND1-SG 3.44Å; I116-C130 HydrophobicContact CD1-CB 4.46Å; I116-C130 HydrophobicContact CG2-CB 4.06Å
131	N	88.2	Confident	88.3	Confident	115 Å²	115	67 Å²	67	62%	0.615	39%	0.385	S	S	*	.	S	Bend	trans	-125.6	151.1	178.5	-75.7	-28.4	0	0	0	110.2	S133	N131-S133 PolarHBondContact O-N 2.81Å
132	F	86.3	Confident	88.1	Confident	93 Å²	93	65.9 Å²	65.9	41%	0.408	39%	0.385	S	S	.	.			trans	-67	130.9	174.6	179.6	-104	0	0	0	110.8	Y120 I145	Y120-F132 HydrophobicContact CD1-CB 4.29Å; Y120-F132 AromaticContact CD1-CD2 3.82Å; Y120-F132 HydrophobicContact CD1-CD2 3.82Å; Y120-F132 HydrophobicContact CD2-CB 4.1Å; Y120-F132 HydrophobicContact CE1-CB 3.95Å; Y120-F132 AromaticContact CE1-CD2 3.87Å; Y120-F132 HydrophobicContact CE1-CD2 3.87Å; Y120-F132 HydrophobicContact CE1-CG 4.32Å; Y120-F132 HydrophobicContact CE2-CB 3.75Å; Y120-F132 VanDerWaalsContact CE2-N 3.33Å; Y120-F132 HydrophobicContact CG-CB 4.35Å; Y120-F132 HydrophobicContact CG-CD2 4.37Å; F132-I145 HydrophobicContact CE2-CD1 3.45Å; F132-I145 VanDerWaalsContact CE2-CD1 3.45Å; F132-I145 HydrophobicContact CZ-CD1 3.4Å
133	S	84.1	Confident	87.9	Confident	50 Å²	50	68 Å²	68	35%	0.35	40%	0.395	S	S	.	.			trans	-134.5	134	169.2	176.7	0	0	0	0	109.2	N131 I135	N131-S133 PolarHBondContact O-N 2.81Å; S133-I135 WeakPolarHBondContact CB-O 3.41Å; S133-I135 PolarHBondContact O-N 2.88Å; S133-I135 PolarHBondContact OG-N 3.48Å; S133-I135 PolarHBondContact OG-O 3.46Å
134	P	84.8	Confident	87.2	Confident	73 Å²	73	73.4 Å²	73.4	47%	0.474	41%	0.406	S	S	.	.	S	Bend	trans	-69.7	-10.8	175.8	30.2	-35.1	0	0	0	112.7	A142 F143	P134-A142 CarbonylContact O-C 3.57Å; P134-A142 WeakPolarHBondContact O-CA 3.5Å; P134-F143 WeakPolarHBondContact O-CD2 3.49Å; P134-F143 PolarHBondContact O-N 2.93Å
135	I	87.5	Confident	86.4	Confident	91 Å²	91	72.6 Å²	72.6	47%	0.467	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-124.8	128.1	176.5	-56.1	169	0	0	0	108.1	S133 T137 T141 A142	S133-I135 WeakPolarHBondContact CB-O 3.41Å; S133-I135 PolarHBondContact O-N 2.88Å; S133-I135 PolarHBondContact OG-N 3.48Å; S133-I135 PolarHBondContact OG-O 3.46Å; I135-T137 PolarHBondContact O-N 2.96Å; I135-T141 WeakPolarHBondContact CA-O 3.12Å; I135-A142 HydrophobicContact CG1-CB 4.23Å
136	C	89.5	Confident	84.9	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	42%	0.42	C	S	.	.			trans	-71.4	122.1	174.9	-178.5	0	0	0	0	110.2	F129 T138 C139 E140 T141 F143	F129-C136 WeakPolarHBondContact CZ-SG 3.36Å; C136-T138 PolarHBondContact O-N 2.74Å; C136-C139 PolarHBondContact SG-SG 3.24Å; C136-E140 WeakPolarHBondContact O-CA 3.46Å; C136-E140 PolarHBondContact O-N 3.43Å; C136-T141 PolarHBondContact N-O 3.3Å; C136-F143 HydrophobicContact CB-CE2 3.87Å; C136-F143 HydrophobicContact CB-CZ 3.91Å
137	T	86.7	Confident	83.4	Confident	99 Å²	99	75.6 Å²	75.6	61%	0.607	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.7	-179.6	56.1	0	0	0	0	113.8	F129 I135	F129-T137 VanDerWaalsContact CE1-OG1 3.26Å; F129-T137 WeakPolarHBondContact CE1-OG1 3.26Å; I135-T137 PolarHBondContact O-N 2.96Å
138	T	87.1	Confident	81.8	Confident	74 Å²	74	80.4 Å²	80.4	45%	0.454	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-42.9	-177.9	-50.4	0	0	0	0	113.6	S127 C136	S127-T138 PolarHBondContact OG-OG1 3.32Å; C136-T138 PolarHBondContact O-N 2.74Å
139	C	89.8	Confident	79.8	Confident	44 Å²	44	84 Å²	84	30%	0.297	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	6.2	-178	69.4	0	0	0	0	113.6	C125 C136 T141	C125-C139 HydrophobicContact CB-CB 3.97Å; C136-C139 PolarHBondContact SG-SG 3.24Å; C139-T141 PolarHBondContact O-N 2.79Å; C139-T141 PolarHBondContact O-OG1 3.46Å; C139-T141 PolarHBondContact SG-OG1 2.89Å
140	E	89.4	Confident	78	Confident	164 Å²	164	89 Å²	89	77%	0.766	51%	0.508	S	S	*	.			trans	58.1	13.3	176.8	-58.4	180	172.8	0	0	115.1	C136 A142	C136-E140 WeakPolarHBondContact O-CA 3.46Å; C136-E140 PolarHBondContact O-N 3.43Å; E140-A142 PolarHBondContact O-N 3.27Å
141	T	87.8	Confident	76.1	Confident	47 Å²	47	95.6 Å²	95.6	29%	0.288	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-71.2	125.3	178.6	-56.3	0	0	0	0	110.4	V124 I135 C136 C139 F143	V124-T141 HydrophobicContact CG2-CG2 4.03Å; I135-T141 WeakPolarHBondContact CA-O 3.12Å; C136-T141 PolarHBondContact N-O 3.3Å; C139-T141 PolarHBondContact O-N 2.79Å; C139-T141 PolarHBondContact O-OG1 3.46Å; C139-T141 PolarHBondContact SG-OG1 2.89Å; T141-F143 HydrophobicContact CG2-CE1 4.34Å
142	A	86.8	Confident	73.9	Confident	70 Å²	70	99.3 Å²	99.3	58%	0.579	55%	0.551	S	S	*	*	B	Isolated β-bridge	trans	-86.1	120.7	171.5	0	0	0	0	0	110.6	P134 I135 E140	P134-A142 CarbonylContact O-C 3.57Å; P134-A142 WeakPolarHBondContact O-CA 3.5Å; I135-A142 HydrophobicContact CG1-CB 4.23Å; E140-A142 PolarHBondContact O-N 3.27Å
143	F	84.5	Confident	72.1	Confident	47 Å²	47	99.3 Å²	99.3	21%	0.206	57%	0.568	C	S	.	*	P	Polyproline II helix	trans	-85.8	120.6	177.5	-53.1	-70.5	0	0	0	110.3	C122 P134 C136 T141 I145	C122-F143 HydrophobicContact CB-CZ 4.1Å; C122-F143 VanDerWaalsContact SG-CZ 3.53Å; P134-F143 WeakPolarHBondContact O-CD2 3.49Å; P134-F143 PolarHBondContact O-N 2.93Å; C136-F143 HydrophobicContact CB-CE2 3.87Å; C136-F143 HydrophobicContact CB-CZ 3.91Å; T141-F143 HydrophobicContact CG2-CE1 4.34Å; F143-I145 HydrophobicContact CB-CD1 3.46Å; F143-I145 VanDerWaalsContact CB-CD1 3.46Å; F143-I145 HydrophobicContact CB-CG1 3.68Å; F143-I145 HydrophobicContact CG-CD1 4.25Å; F143-I145 PolarHBondContact O-N 3.2Å
144	K	74.8	Confident	70.2	Confident	213 Å²	213	106.5 Å²	106.5	93%	0.926	59%	0.593	S	S	*	*			trans	-78.4	78	169.6	-67.5	-176.8	-177.1	178.2	0	109.1	S146	K144-S146 PolarHBondContact O-N 3.46Å
145	I	70.8	Confident	68.3	Low	76 Å²	76	112.8 Å²	112.8	39%	0.39	61%	0.613	S	S	.	*			trans	-92.1	106.1	178.9	-62.1	159.3	0	0	0	106.9	F132 F143 L147	F132-I145 HydrophobicContact CE2-CD1 3.45Å; F132-I145 VanDerWaalsContact CE2-CD1 3.45Å; F132-I145 HydrophobicContact CZ-CD1 3.4Å; F143-I145 HydrophobicContact CB-CD1 3.46Å; F143-I145 VanDerWaalsContact CB-CD1 3.46Å; F143-I145 HydrophobicContact CB-CG1 3.68Å; F143-I145 HydrophobicContact CG-CD1 4.25Å; F143-I145 PolarHBondContact O-N 3.2Å; I145-L147 PolarHBondContact O-N 2.92Å
146	S	58.3	Low	66.1	Low	113 Å²	113	117.9 Å²	117.9	79%	0.79	63%	0.632	S	S	*	*			trans	-63	91.4	160.1	26.4	0	0	0	0	106.9	K144	K144-S146 PolarHBondContact O-N 3.46Å
147	L	58	Low	64	Low	123 Å²	123	127.5 Å²	127.5	64%	0.644	67%	0.673	S	S	*	*			trans	-49.1	128.1	169.7	-75.8	121.5	0	0	0	107.4	I145	I145-L147 PolarHBondContact O-N 2.92Å
148	P	53.3	Low	62.1	Low	107 Å²	107	130.6 Å²	130.6	70%	0.695	69%	0.685	S	S	*	*			trans	-50.3	133.2	161.8	-20	30.2	0	0	0	106.6	V150	P148-V150 PolarHBondContact O-N 2.81Å
149	P	47.6	Very low	59.9	Low	120 Å²	120	136.4 Å²	136.4	78%	0.779	71%	0.705	S	S	*	*			trans	-55.7	111.5	-178.5	23.4	-32.4	0	0	0	106.8	L151	P149-L151 VanDerWaalsContact C-N 3.33Å; P149-L151 PolarHBondContact O-N 2.81Å
150	V	53.3	Low	57.6	Low	121 Å²	121	140.9 Å²	140.9	73%	0.733	73%	0.73	S	S	*	*			trans	-51.7	108.4	169.9	179.2	0	0	0	0	104.1	P148 K152	P148-V150 PolarHBondContact O-N 2.81Å; V150-K152 PolarHBondContact O-N 2.86Å
151	L	48.9	Very low	55.2	Low	166 Å²	166	138.5 Å²	138.5	87%	0.869	73%	0.731	S	S	*	*			trans	-54.9	98	175	-85.3	156.3	0	0	0	105	P149 A153	P149-L151 VanDerWaalsContact C-N 3.33Å; P149-L151 PolarHBondContact O-N 2.81Å; L151-A153 PolarHBondContact O-N 2.7Å
152	K	42.6	Very low	52.9	Low	194 Å²	194	144.3 Å²	144.3	84%	0.843	78%	0.784	S	S	*	*			trans	-53.6	109.4	170	-72.8	-177.6	177.9	178.6	0	104.2	V150 K154	V150-K152 PolarHBondContact O-N 2.86Å; K152-K154 VanDerWaalsContact C-N 3.35Å; K152-K154 PolarHBondContact O-N 2.81Å
153	A	49.6	Very low	51.2	Low	93 Å²	93	148 Å²	148	77%	0.769	79%	0.794	S	S	*	*			trans	-52.5	106.7	171.6	0	0	0	0	0	106.3	L151 K155	L151-A153 PolarHBondContact O-N 2.7Å; A153-K155 PolarHBondContact O-N 3.35Å
154	K	42.3	Very low	49.4	Very low	201 Å²	201	153.3 Å²	153.3	87%	0.874	83%	0.825	S	S	*	*			trans	-58	107	171.5	-91.5	-178.1	173.6	176.7	0	105	K152 K156	K152-K154 VanDerWaalsContact C-N 3.35Å; K152-K154 PolarHBondContact O-N 2.81Å; K154-K156 VanDerWaalsContact C-N 3.31Å; K154-K156 PolarHBondContact O-N 3.5Å
155	K	44.9	Very low	48	Very low	204 Å²	204	150 Å²	150	89%	0.887	82%	0.82	S	S	*	*			trans	-53.2	102.3	163.9	-78.6	-174.8	174.9	-178.2	0	106.2	A153 K157	A153-K155 PolarHBondContact O-N 3.35Å; K155-K157 PolarHBondContact O-N 3.28Å
156	K	43	Very low	46.7	Very low	199 Å²	199	154.4 Å²	154.4	87%	0.865	85%	0.845	S	S	*	*			trans	-59.7	108.1	165.5	-106.5	-179.6	173.2	178.5	0	105.2	K154 L158	K154-K156 VanDerWaalsContact C-N 3.31Å; K154-K156 PolarHBondContact O-N 3.5Å; K156-L158 PolarHBondContact O-N 3.22Å
157	K	43.8	Very low	46	Very low	202 Å²	202	156.9 Å²	156.9	88%	0.878	85%	0.849	S	S	*	*			trans	-57.2	113.4	164.8	-80.9	-173.2	174	-175	0	106.6	K155 K159	K155-K157 PolarHBondContact O-N 3.28Å; K157-K159 PolarHBondContact O-N 3.07Å
158	L	48.7	Very low	45.2	Very low	164 Å²	164	159.2 Å²	159.2	86%	0.859	86%	0.862	S	S	*	*			trans	-60	116.5	162.7	-84.8	138.9	0	0	0	106.8	K156 V160	K156-L158 PolarHBondContact O-N 3.22Å; L158-V160 PolarHBondContact O-N 3.01Å
159	K	40.2	Very low	44.6	Very low	197 Å²	197	162.9 Å²	162.9	86%	0.857	87%	0.874	S	S	*	*			trans	-67.4	113	162.4	-81.2	-175.4	173.8	-176	0	106.2	K157 S161	K157-K159 PolarHBondContact O-N 3.07Å; K159-S161 PolarHBondContact O-N 2.88Å
160	V	40.6	Very low	44.3	Very low	137 Å²	137	166.2 Å²	166.2	83%	0.83	88%	0.881	S	S	*	*			trans	-78.8	115.5	163.7	176.8	0	0	0	0	106.1	L158	L158-V160 PolarHBondContact O-N 3.01Å
161	S	39.7	Very low	43.6	Very low	114 Å²	114	170 Å²	170	80%	0.797	89%	0.894	S	S	*	*			trans	-90.9	111.2	168.4	-39.7	0	0	0	0	107.4	K159	K159-S161 PolarHBondContact O-N 2.88Å
162	A	39	Very low	43.1	Very low	169 Å²	169	170.4 Å²	170.4	100%	1.397	90%	0.896	S	S	*	*			trans	-173.3	0	151.6	0	0	0	0	0	107.7

Retrieved 162 of 162 residues in 41.2 ms (Link to these results)

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