G4V5C0_SCHMA Loading...

DNA-directed RNA polymerase subunit

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession G4V5C0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 aa.

						>G4V5C0_SCHMA|G4V5C0
METYDVKPNHCHVGILFCSECNNMLYPKEDKRTKTLYYACRNCDYSQEADNPCVYINKLEQEVDELALIVPDVVHDPTLPRTEDHICRRCGKQEAVFFQSQTLKAEENMRLYYVCTNVECLHKWTE
					

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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	41.3	Very low	47.4	Very low	242 Å²	242	146.6 Å²	146.6	100%	1.192	74%	0.744	S	S	*	*				0	96.4	0	-133.9	165	-178.6	0	0	105	T3	M1-T3 PolarHBondContact O-N 3.02Å
2	E	36.6	Very low	49.7	Very low	172 Å²	172	148.1 Å²	148.1	80%	0.804	75%	0.745	S	S	*	*			trans	-75.7	118.9	-176.5	-69.7	174.2	158.7	0	0	108.1	Y4	E2-Y4 PolarHBondContact O-N 3.24Å
3	T	35.2	Very low	52.1	Low	121 Å²	121	140.2 Å²	140.2	74%	0.742	71%	0.709	S	S	*	*			trans	-70.5	107.1	170.9	46.4	0	0	0	0	107.1	M1 D5	M1-T3 PolarHBondContact O-N 3.02Å; T3-D5 VanDerWaalsContact C-N 3.33Å; T3-D5 PolarHBondContact O-N 3.47Å
4	Y	44.8	Very low	54.5	Low	201 Å²	201	132.4 Å²	132.4	79%	0.788	68%	0.681	S	S	*	*			trans	-67	99.7	165.7	-80.2	-93.7	0	0	0	107.3	E2 V6	E2-Y4 PolarHBondContact O-N 3.24Å; Y4-V6 PolarHBondContact O-N 3.25Å
5	D	38.2	Very low	56.9	Low	142 Å²	142	131.3 Å²	131.3	76%	0.759	68%	0.675	S	S	*	*			trans	-61.8	87.8	161.3	-75.5	-60	0	0	0	107.5	T3 K7	T3-D5 VanDerWaalsContact C-N 3.33Å; T3-D5 PolarHBondContact O-N 3.47Å; D5-K7 PolarHBondContact O-N 3.3Å
6	V	50.1	Low	59.2	Low	125 Å²	125	126.9 Å²	126.9	76%	0.758	65%	0.653	S	S	*	*			trans	-67.2	84.2	161.8	-176.5	0	0	0	0	105.1	Y4 P8	Y4-V6 PolarHBondContact O-N 3.25Å; V6-P8 VanDerWaalsContact O-CD 3.28Å; V6-P8 WeakPolarHBondContact O-CD 3.49Å
7	K	45.5	Very low	61.4	Low	170 Å²	170	126.2 Å²	126.2	74%	0.739	64%	0.644	S	S	*	*			trans	-51.4	118.2	161	-72.9	-171.7	178.9	-179.3	0	104.8	D5 N9	D5-K7 PolarHBondContact O-N 3.3Å; K7-N9 VanDerWaalsContact C-N 3.26Å; K7-N9 PolarHBondContact O-N 2.62Å
8	P	48.7	Very low	63.3	Low	89 Å²	89	119.3 Å²	119.3	58%	0.578	61%	0.609	S	S	*	*			trans	-70.3	99.7	-177.3	29.7	-33.5	0	0	0	105.4	V6 H10	V6-P8 VanDerWaalsContact O-CD 3.28Å; V6-P8 WeakPolarHBondContact O-CD 3.49Å; P8-H10 WeakPolarHBondContact CB-CE1 3.46Å; P8-H10 WeakPolarHBondContact CB-ND1 3.33Å; P8-H10 VanDerWaalsContact CG-CE1 3.49Å; P8-H10 WeakPolarHBondContact CG-CE1 3.45Å; P8-H10 PolarHBondContact O-N 2.86Å; P8-H10 PolarHBondContact O-ND1 3.31Å; P8-H10 VanDerWaalsContact O-ND1 3.09Å
9	N	54.3	Low	65	Low	154 Å²	154	117.1 Å²	117.1	82%	0.824	61%	0.606	S	S	*	*			trans	-62.3	80.5	163.6	-82.8	-21.8	0	0	0	105.3	K7 C11	K7-N9 VanDerWaalsContact C-N 3.26Å; K7-N9 PolarHBondContact O-N 2.62Å; N9-C11 PolarHBondContact O-N 2.8Å
10	H	60.8	Low	66.5	Low	158 Å²	158	118.3 Å²	118.3	73%	0.731	61%	0.608	S	S	*	*			trans	-67.6	77.2	165.2	-71	85.9	0	0	0	105.3	P8 H12	P8-H10 WeakPolarHBondContact CB-CE1 3.46Å; P8-H10 WeakPolarHBondContact CB-ND1 3.33Å; P8-H10 VanDerWaalsContact CG-CE1 3.49Å; P8-H10 WeakPolarHBondContact CG-CE1 3.45Å; P8-H10 PolarHBondContact O-N 2.86Å; P8-H10 PolarHBondContact O-ND1 3.31Å; P8-H10 VanDerWaalsContact O-ND1 3.09Å; H10-H12 PolarHBondContact O-N 2.86Å; H10-H12 VanDerWaalsContact O-N 3.09Å
11	C	66.3	Low	68	Low	39 Å²	39	115 Å²	115	26%	0.264	60%	0.595	S	S	.	*			trans	-61.1	116.2	155.7	68.2	0	0	0	0	104.4	N9 N51 C53 I56	N9-C11 PolarHBondContact O-N 2.8Å; C11-N51 WeakPolarHBondContact CB-ND2 3.49Å; C11-C53 HydrophobicContact CB-CB 3.41Å; C11-C53 VanDerWaalsContact CB-CB 3.41Å; C11-C53 WeakPolarHBondContact CB-SG 3.39Å; C11-C53 WeakPolarHBondContact SG-CB 3.31Å; C11-C53 CovalentContact SG-SG 2.08Å; C11-C53 PolarHBondContact SG-SG 2.86Å; C11-I56 WeakPolarHBondContact O-CD1 3.46Å; C11-I56 VanDerWaalsContact SG-CD1 3.55Å
12	H	74.5	Confident	70.6	Confident	164 Å²	164	109.3 Å²	109.3	76%	0.759	57%	0.569	S	S	*	*			trans	-96.9	110.1	169	177.5	81.8	0	0	0	105.4	H10 G14	H10-H12 PolarHBondContact O-N 2.86Å; H10-H12 VanDerWaalsContact O-N 3.09Å; H12-G14 PolarHBondContact O-N 2.95Å
13	V	81	Confident	73.4	Confident	46 Å²	46	104.2 Å²	104.2	28%	0.279	55%	0.548	S	S	.	.			trans	-91	95.5	173.4	179.3	0	0	0	0	107.2	C53 V54 I56	V13-C53 HydrophobicContact CG2-CB 4.1Å; V13-C53 VanDerWaalsContact CG2-O 3.27Å; V13-C53 WeakPolarHBondContact CG2-O 3.29Å; V13-C53 WeakPolarHBondContact CG2-SG 2.9Å; V13-V54 WeakPolarHBondContact CG1-O 3.44Å; V13-I56 HydrophobicContact CB-CD1 4.16Å; V13-I56 HydrophobicContact CB-CG1 4.29Å; V13-I56 HydrophobicContact CG2-CD1 3.75Å; V13-I56 HydrophobicContact CG2-CG1 3.71Å
14	G	85.7	Confident	76.3	Confident	31 Å²	31	102.3 Å²	102.3	32%	0.32	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-82.6	162.8	171.6	0	0	0	0	0	111.8	H12	H12-G14 PolarHBondContact O-N 2.95Å
15	I	91.2	Very high	78.7	Confident	116 Å²	116	93.1 Å²	93.1	60%	0.595	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-85.4	128.6	168.1	-58.2	171.8	0	0	0	107.7	F17 M24	I15-F17 HydrophobicContact CB-CE2 4.49Å; I15-F17 HydrophobicContact CG2-CE2 4.02Å; I15-F17 HydrophobicContact CG2-CZ 3.97Å; I15-M24 HydrophobicContact CG2-CE 4.17Å; I15-M24 HydrophobicContact CG2-CG 4.06Å; I15-M24 HydrophobicContact CG2-SD 4.41Å
16	L	93	Very high	81.5	Confident	60 Å²	60	90.4 Å²	90.4	31%	0.314	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-104	143	178.3	-61	175.9	0	0	0	111.2	L25 Y38	L16-L25 HydrophobicContact CB-CB 4.25Å; L16-L25 HydrophobicContact CB-CD1 4.03Å; L16-L25 HydrophobicContact CB-CG 4.43Å; L16-L25 PolarHBondContact O-N 3.03Å; L16-Y38 HydrophobicContact CD1-CD1 3.96Å; L16-Y38 HydrophobicContact CD1-CD2 3.58Å; L16-Y38 HydrophobicContact CD1-CE1 4.21Å; L16-Y38 HydrophobicContact CD1-CE2 3.86Å; L16-Y38 HydrophobicContact CD1-CG 3.64Å
17	F	96.6	Very high	83.6	Confident	115 Å²	115	87.5 Å²	87.5	50%	0.504	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-117	142.2	179.6	-64.7	-87.2	0	0	0	110.6	I15	I15-F17 HydrophobicContact CB-CE2 4.49Å; I15-F17 HydrophobicContact CG2-CE2 4.02Å; I15-F17 HydrophobicContact CG2-CZ 3.97Å
18	C	96.6	Very high	86	Confident	3 Å²	3	86 Å²	86	2%	0.02	45%	0.453	C	S	.	.			trans	-67.8	131.4	178.6	177.9	0	0	0	0	111.5	E20 N22 N23 L25 C40 Y45	C18-E20 VanDerWaalsContact C-N 3.26Å; C18-E20 PolarHBondContact O-N 3.11Å; C18-E20 PolarHBondContact SG-N 2.82Å; C18-E20 VanDerWaalsContact SG-N 3.42Å; C18-N22 WeakPolarHBondContact O-CA 3.48Å; C18-N22 PolarHBondContact O-N 2.9Å; C18-N23 WeakPolarHBondContact CB-O 3.28Å; C18-N23 PolarHBondContact N-O 3.46Å; C18-L25 HydrophobicContact CB-CD2 3.67Å; C18-L25 HydrophobicContact CB-CG 4.4Å; C18-C40 HydrophobicContact CB-CB 4.3Å; C18-Y45 HydrophobicContact CB-CD1 4.4Å; C18-Y45 VanDerWaalsContact SG-CB 3.56Å
19	S	95	Very high	88.2	Confident	77 Å²	77	87.2 Å²	87.2	54%	0.538	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.6	177.2	59.8	0	0	0	0	113.9	Y45	S19-Y45 WeakPolarHBondContact OG-CD2 3.22Å; S19-Y45 WeakPolarHBondContact OG-CE2 3.46Å
20	E	95.7	Very high	90.2	Very high	141 Å²	141	82.4 Å²	82.4	66%	0.659	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-37.4	-172.7	-56.4	-51	121	0	0	113.5	C18 Y45	C18-E20 VanDerWaalsContact C-N 3.26Å; C18-E20 PolarHBondContact O-N 3.11Å; C18-E20 PolarHBondContact SG-N 2.82Å; C18-E20 VanDerWaalsContact SG-N 3.42Å; E20-Y45 HydrophobicContact CG-CD2 3.97Å; E20-Y45 HydrophobicContact CG-CG 4.37Å
21	C	96.8	Very high	91.8	Very high	48 Å²	48	83 Å²	83	32%	0.324	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	2.8	-173.5	67.1	0	0	0	0	114.3	N23	C21-N23 PolarHBondContact O-N 3.11Å; C21-N23 PolarHBondContact O-ND2 3.31Å; C21-N23 PolarHBondContact SG-ND2 3.3Å
22	N	95.2	Very high	93.2	Very high	123 Å²	123	91.3 Å²	91.3	66%	0.658	45%	0.452	S	S	*	.			trans	55.6	21	-179.8	-158.8	32.8	0	0	0	115.2	C18	C18-N22 WeakPolarHBondContact O-CA 3.48Å; C18-N22 PolarHBondContact O-N 2.9Å
23	N	96.3	Very high	94.2	Very high	66 Å²	66	87.1 Å²	87.1	35%	0.353	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-85.8	158.5	172.2	-71.9	-60.8	0	0	0	111.3	C18 C21	C18-N23 WeakPolarHBondContact CB-O 3.28Å; C18-N23 PolarHBondContact N-O 3.46Å; C21-N23 PolarHBondContact O-N 3.11Å; C21-N23 PolarHBondContact O-ND2 3.31Å; C21-N23 PolarHBondContact SG-ND2 3.3Å
24	M	95.9	Very high	94.9	Very high	81 Å²	81	93.1 Å²	93.1	40%	0.399	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-62.3	134.8	178.2	-168.5	-179.2	-63.8	0	0	111.8	I15 Y26	I15-M24 HydrophobicContact CG2-CE 4.17Å; I15-M24 HydrophobicContact CG2-CG 4.06Å; I15-M24 HydrophobicContact CG2-SD 4.41Å; M24-Y26 HydrophobicContact CB-CE2 4.2Å; M24-Y26 HydrophobicContact CG-CE2 4.48Å; M24-Y26 WeakPolarHBondContact O-CD2 3.29Å; M24-Y26 VanDerWaalsContact O-CE2 3.27Å; M24-Y26 WeakPolarHBondContact O-CE2 3.43Å; M24-Y26 HydrophobicContact SD-CE1 4.22Å
25	L	96.4	Very high	95.3	Very high	8 Å²	8	93.1 Å²	93.1	4%	0.042	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-87.3	145.3	171.1	-57.8	179.9	0	0	0	110.9	L16 C18 Y38 C40 Y45 Q47	L16-L25 HydrophobicContact CB-CB 4.25Å; L16-L25 HydrophobicContact CB-CD1 4.03Å; L16-L25 HydrophobicContact CB-CG 4.43Å; L16-L25 PolarHBondContact O-N 3.03Å; C18-L25 HydrophobicContact CB-CD2 3.67Å; C18-L25 HydrophobicContact CB-CG 4.4Å; L25-Y38 HydrophobicContact CB-CD1 4.41Å; L25-C40 HydrophobicContact CD2-CB 3.76Å; L25-Y45 HydrophobicContact CD1-CD1 4.32Å; L25-Y45 HydrophobicContact CD1-CE1 3.94Å; L25-Y45 HydrophobicContact CD2-CD1 3.88Å; L25-Y45 HydrophobicContact CD2-CE1 4.33Å; L25-Q47 HydrophobicContact CD1-CG 4.15Å
26	Y	95.7	Very high	95.5	Very high	84 Å²	84	89.4 Å²	89.4	33%	0.329	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.7	-178.5	-64.9	-90.9	0	0	0	111.2	M24 K28 Y38 A39 R41	M24-Y26 HydrophobicContact CB-CE2 4.2Å; M24-Y26 HydrophobicContact CG-CE2 4.48Å; M24-Y26 WeakPolarHBondContact O-CD2 3.29Å; M24-Y26 VanDerWaalsContact O-CE2 3.27Å; M24-Y26 WeakPolarHBondContact O-CE2 3.43Å; M24-Y26 HydrophobicContact SD-CE1 4.22Å; Y26-K28 PolarHBondContact O-N 2.94Å; Y26-Y38 WeakPolarHBondContact O-CA 3.46Å; Y26-A39 PolarHBondContact N-O 3.43Å; Y26-A39 PolarHBondContact O-N 2.9Å; Y26-R41 HydrophobicContact CD2-CG 3.79Å; Y26-R41 HydrophobicContact CE2-CG 4.11Å
27	P	95.2	Very high	95.7	Very high	65 Å²	65	89.6 Å²	89.6	42%	0.422	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	133.7	173.4	-21.3	30.3	0	0	0	112.1	L36 Y37 Y38 V54	P27-L36 HydrophobicContact CB-CD1 4.1Å; P27-Y37 CarbonylContact C-O 3.56Å; P27-Y37 WeakPolarHBondContact CA-O 3.25Å; P27-Y38 HydrophobicContact CB-CE1 4.46Å; P27-Y38 HydrophobicContact CG-CD1 4.27Å; P27-Y38 HydrophobicContact CG-CE1 3.74Å; P27-V54 HydrophobicContact CB-CB 4.44Å; P27-V54 HydrophobicContact CB-CG1 3.82Å; P27-V54 HydrophobicContact CG-CB 4.09Å; P27-V54 HydrophobicContact CG-CG1 3.93Å
28	K	95.1	Very high	95.7	Very high	137 Å²	137	85.2 Å²	85.2	60%	0.596	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	122.6	178.3	-177.7	179.2	178.5	-174.9	0	109.6	Y26 Y37 A39	Y26-K28 PolarHBondContact O-N 2.94Å; K28-Y37 PolarHBondContact N-O 3.06Å; K28-Y37 PolarHBondContact O-N 3.29Å; K28-A39 HydrophobicContact CB-CB 4.3Å; K28-A39 HydrophobicContact CD-CB 4.12Å
29	E	96	Very high	95.7	Very high	116 Å²	116	85.9 Å²	85.9	54%	0.542	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.4	175.5	-174.5	-169.6	-178.3	0	0	110.9	K31	E29-K31 PolarHBondContact O-N 2.71Å
30	D	95.4	Very high	95.8	Very high	53 Å²	53	82.9 Å²	82.9	28%	0.283	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104.7	156.3	-175.8	-20.4	0	0	0	108.7	R32 K34 T35 Y37	D30-R32 PolarHBondContact O-N 3.26Å; D30-R32 WeakPolarHBondContact OD1-CB 3.29Å; D30-R32 PolarHBondContact OD1-N 2.91Å; D30-K34 WeakPolarHBondContact O-CA 3.4Å; D30-K34 PolarHBondContact O-N 3.15Å; D30-T35 PolarHBondContact N-O 2.99Å; D30-T35 PolarHBondContact O-N 3.18Å; D30-Y37 HydrophobicContact CB-CD2 4.22Å; D30-Y37 HydrophobicContact CB-CE2 4.01Å
31	K	95	Very high	95.8	Very high	170 Å²	170	85.1 Å²	85.1	74%	0.739	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.2	-177	-65.4	-177.4	177.5	-177.6	0	114.1	E29	E29-K31 PolarHBondContact O-N 2.71Å
32	R	95.8	Very high	95.8	Very high	214 Å²	214	88.3 Å²	88.3	81%	0.808	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-47.2	-176	-177.6	179.1	60.1	-168.6	-3.9	111.1	D30	D30-R32 PolarHBondContact O-N 3.26Å; D30-R32 WeakPolarHBondContact OD1-CB 3.29Å; D30-R32 PolarHBondContact OD1-N 2.91Å
33	T	95.5	Very high	95.8	Very high	75 Å²	75	84.4 Å²	84.4	46%	0.46	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.8	177.4	59.9	0	0	0	0	112.5	T35	T33-T35 WeakPolarHBondContact CB-OG1 3.42Å; T33-T35 PolarHBondContact O-N 2.9Å; T33-T35 WeakPolarHBondContact OG1-CB 3.48Å; T33-T35 PolarHBondContact OG1-OG1 3.39Å
34	K	94.5	Very high	95.8	Very high	173 Å²	173	89.3 Å²	89.3	75%	0.752	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	38.6	-172.2	-56.9	-179.6	179.3	179.9	0	111.7	D30	D30-K34 WeakPolarHBondContact O-CA 3.4Å; D30-K34 PolarHBondContact O-N 3.15Å
35	T	95.6	Very high	95.8	Very high	30 Å²	30	88.7 Å²	88.7	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.8	-178.9	-50.8	0	0	0	0	109.9	D30 T33 Y37 E48	D30-T35 PolarHBondContact N-O 2.99Å; D30-T35 PolarHBondContact O-N 3.18Å; T33-T35 WeakPolarHBondContact CB-OG1 3.42Å; T33-T35 PolarHBondContact O-N 2.9Å; T33-T35 WeakPolarHBondContact OG1-CB 3.48Å; T33-T35 PolarHBondContact OG1-OG1 3.39Å; T35-Y37 HydrophobicContact CG2-CD2 4.25Å; T35-Y37 HydrophobicContact CG2-CE2 3.64Å; T35-E48 HydrophobicContact CG2-CG 3.75Å; T35-E48 WeakPolarHBondContact CG2-OE1 3.46Å
36	L	95.1	Very high	95.8	Very high	38 Å²	38	91.5 Å²	91.5	20%	0.199	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.3	174.6	-179.6	65.9	0	0	0	110.1	P27 A49 V54	P27-L36 HydrophobicContact CB-CD1 4.1Å; L36-A49 HydrophobicContact CB-CB 3.91Å; L36-A49 HydrophobicContact CD2-CB 3.64Å; L36-A49 HydrophobicContact CG-CB 3.6Å; L36-A49 WeakPolarHBondContact O-CB 3.29Å; L36-A49 PolarHBondContact O-N 2.84Å; L36-V54 HydrophobicContact CD1-CG1 4.27Å; L36-V54 HydrophobicContact CD2-CG1 3.63Å
37	Y	96.1	Very high	95.8	Very high	65 Å²	65	90.1 Å²	90.1	26%	0.255	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.3	173.5	-71.6	-91.9	0	0	0	111	P27 K28 D30 T35 Q47 E48	P27-Y37 CarbonylContact C-O 3.56Å; P27-Y37 WeakPolarHBondContact CA-O 3.25Å; K28-Y37 PolarHBondContact N-O 3.06Å; K28-Y37 PolarHBondContact O-N 3.29Å; D30-Y37 HydrophobicContact CB-CD2 4.22Å; D30-Y37 HydrophobicContact CB-CE2 4.01Å; T35-Y37 HydrophobicContact CG2-CD2 4.25Å; T35-Y37 HydrophobicContact CG2-CE2 3.64Å; Y37-Q47 CarbonylContact C-O 3.6Å; Y37-Q47 VanDerWaalsContact CA-O 3.23Å; Y37-Q47 WeakPolarHBondContact CA-O 3.3Å; Y37-Q47 WeakPolarHBondContact CB-O 3.34Å; Y37-Q47 WeakPolarHBondContact CD1-O 3.36Å; Y37-E48 HydrophobicContact CD1-CB 4.17Å; Y37-E48 HydrophobicContact CE1-CB 3.82Å; Y37-E48 HydrophobicContact CE1-CG 4.31Å
38	Y	96.3	Very high	95.8	Very high	23 Å²	23	92.6 Å²	92.6	9%	0.09	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.2	163.6	-78	-83.1	0	0	0	108.7	L16 L25 Y26 P27 S46 Q47 A49	L16-Y38 HydrophobicContact CD1-CD1 3.96Å; L16-Y38 HydrophobicContact CD1-CD2 3.58Å; L16-Y38 HydrophobicContact CD1-CE1 4.21Å; L16-Y38 HydrophobicContact CD1-CE2 3.86Å; L16-Y38 HydrophobicContact CD1-CG 3.64Å; L25-Y38 HydrophobicContact CB-CD1 4.41Å; Y26-Y38 WeakPolarHBondContact O-CA 3.46Å; P27-Y38 HydrophobicContact CB-CE1 4.46Å; P27-Y38 HydrophobicContact CG-CD1 4.27Å; P27-Y38 HydrophobicContact CG-CE1 3.74Å; Y38-S46 CarbonylContact O-C 3.56Å; Y38-S46 VanDerWaalsContact O-CA 3.26Å; Y38-S46 WeakPolarHBondContact O-CA 3.28Å; Y38-Q47 PolarHBondContact N-O 3.13Å; Y38-Q47 PolarHBondContact O-N 3.28Å; Y38-A49 HydrophobicContact CD2-CB 3.72Å; Y38-A49 HydrophobicContact CE2-CB 3.57Å
39	A	96.7	Very high	95.7	Very high	16 Å²	16	86.9 Å²	86.9	13%	0.132	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.8	-174	0	0	0	0	0	111.9	Y26 K28	Y26-A39 PolarHBondContact N-O 3.43Å; Y26-A39 PolarHBondContact O-N 2.9Å; K28-A39 HydrophobicContact CB-CB 4.3Å; K28-A39 HydrophobicContact CD-CB 4.12Å
40	C	97.5	Very high	95.4	Very high	14 Å²	14	89.3 Å²	89.3	10%	0.095	43%	0.433	C	S	.	.			trans	-75.2	151.1	171.4	-165.4	0	0	0	0	110.4	C18 L25 N42 Y45	C18-C40 HydrophobicContact CB-CB 4.3Å; L25-C40 HydrophobicContact CD2-CB 3.76Å; C40-N42 PolarHBondContact SG-N 3.17Å; C40-N42 VanDerWaalsContact SG-N 3.39Å; C40-Y45 PolarHBondContact N-O 3.09Å
41	R	96.2	Very high	95.1	Very high	188 Å²	188	89.9 Å²	89.9	71%	0.709	44%	0.436	S	S	*	.	S	Bend	trans	-94.5	-14.1	171.9	-67	-177.8	-178.7	-176.8	1.4	113.2	Y26	Y26-R41 HydrophobicContact CD2-CG 3.79Å; Y26-R41 HydrophobicContact CE2-CG 4.11Å
42	N	95.9	Very high	94.9	Very high	116 Å²	116	87.2 Å²	87.2	62%	0.62	44%	0.435	S	S	*	.	S	Bend	trans	-104.2	-14.7	-173.4	-64.8	88.1	0	0	0	113.2	C40	C40-N42 PolarHBondContact SG-N 3.17Å; C40-N42 VanDerWaalsContact SG-N 3.39Å
43	C	96.4	Very high	94.7	Very high	41 Å²	41	78.3 Å²	78.3	28%	0.277	41%	0.406	S	S	.	.	S	Bend	trans	-151	176.6	175.7	68.6	0	0	0	0	110.2	Y45	C43-Y45 PolarHBondContact O-N 2.87Å
44	D	95.4	Very high	94.4	Very high	168 Å²	168	78 Å²	78	90%	0.898	40%	0.403	S	S	*	.	S	Bend	trans	-81.5	5.9	-176.8	-60.7	-44	0	0	0	114.2	S46	D44-S46 PolarHBondContact O-N 2.85Å
45	Y	97	Very high	94.2	Very high	68 Å²	68	77.6 Å²	77.6	27%	0.267	40%	0.399	S	S	.	.			trans	-66.2	129.9	178.8	-176.2	-91.2	0	0	0	111.4	C18 S19 E20 L25 C40 C43 Q47	C18-Y45 HydrophobicContact CB-CD1 4.4Å; C18-Y45 VanDerWaalsContact SG-CB 3.56Å; S19-Y45 WeakPolarHBondContact OG-CD2 3.22Å; S19-Y45 WeakPolarHBondContact OG-CE2 3.46Å; E20-Y45 HydrophobicContact CG-CD2 3.97Å; E20-Y45 HydrophobicContact CG-CG 4.37Å; L25-Y45 HydrophobicContact CD1-CD1 4.32Å; L25-Y45 HydrophobicContact CD1-CE1 3.94Å; L25-Y45 HydrophobicContact CD2-CD1 3.88Å; L25-Y45 HydrophobicContact CD2-CE1 4.33Å; C40-Y45 PolarHBondContact N-O 3.09Å; C43-Y45 PolarHBondContact O-N 2.87Å; Y45-Q47 HydrophobicContact CE1-CB 4.46Å; Y45-Q47 HydrophobicContact CE1-CG 4.49Å; Y45-Q47 PolarHBondContact OH-OE1 2.62Å
46	S	96	Very high	94	Very high	68 Å²	68	79 Å²	79	48%	0.476	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.4	171.3	64.5	0	0	0	0	111.2	Y38 D44	Y38-S46 CarbonylContact O-C 3.56Å; Y38-S46 VanDerWaalsContact O-CA 3.26Å; Y38-S46 WeakPolarHBondContact O-CA 3.28Å; D44-S46 PolarHBondContact O-N 2.85Å
47	Q	94.8	Very high	93.6	Very high	55 Å²	55	82.2 Å²	82.2	26%	0.257	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150	176.1	63	-179.3	76.1	0	0	110.7	L25 Y37 Y38 Y45	L25-Q47 HydrophobicContact CD1-CG 4.15Å; Y37-Q47 CarbonylContact C-O 3.6Å; Y37-Q47 VanDerWaalsContact CA-O 3.23Å; Y37-Q47 WeakPolarHBondContact CA-O 3.3Å; Y37-Q47 WeakPolarHBondContact CB-O 3.34Å; Y37-Q47 WeakPolarHBondContact CD1-O 3.36Å; Y38-Q47 PolarHBondContact N-O 3.13Å; Y38-Q47 PolarHBondContact O-N 3.28Å; Y45-Q47 HydrophobicContact CE1-CB 4.46Å; Y45-Q47 HydrophobicContact CE1-CG 4.49Å; Y45-Q47 PolarHBondContact OH-OE1 2.62Å
48	E	95.2	Very high	93.1	Very high	116 Å²	116	85.7 Å²	85.7	54%	0.542	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.5	174.5	-169.8	166.9	173	0	0	110.3	T35 Y37	T35-E48 HydrophobicContact CG2-CG 3.75Å; T35-E48 WeakPolarHBondContact CG2-OE1 3.46Å; Y37-E48 HydrophobicContact CD1-CB 4.17Å; Y37-E48 HydrophobicContact CE1-CB 3.82Å; Y37-E48 HydrophobicContact CE1-CG 4.31Å
49	A	93	Very high	92.5	Very high	18 Å²	18	91.9 Å²	91.9	15%	0.149	47%	0.472	C	S	.	.			trans	-84.7	126	179.5	0	0	0	0	0	111.3	L36 Y38 N51	L36-A49 HydrophobicContact CB-CB 3.91Å; L36-A49 HydrophobicContact CD2-CB 3.64Å; L36-A49 HydrophobicContact CG-CB 3.6Å; L36-A49 WeakPolarHBondContact O-CB 3.29Å; L36-A49 PolarHBondContact O-N 2.84Å; Y38-A49 HydrophobicContact CD2-CB 3.72Å; Y38-A49 HydrophobicContact CE2-CB 3.57Å; A49-N51 PolarHBondContact O-N 2.76Å
50	D	90.7	Very high	91.6	Very high	167 Å²	167	98.1 Å²	98.1	89%	0.893	50%	0.498	S	S	*	.	S	Bend	trans	-67.6	-23.8	176.4	-58.6	-44.9	0	0	0	113.1
51	N	88.8	Confident	90.5	Very high	65 Å²	65	105.1 Å²	105.1	35%	0.348	53%	0.53	S	S	.	.			trans	-137.5	137	-178.1	-171.2	-37.8	0	0	0	110.4	C11 A49 C53	C11-N51 WeakPolarHBondContact CB-ND2 3.49Å; A49-N51 PolarHBondContact O-N 2.76Å; N51-C53 VanDerWaalsContact C-N 3.26Å; N51-C53 PolarHBondContact O-N 3.35Å; N51-C53 WeakPolarHBondContact OD1-CB 3.32Å; N51-C53 PolarHBondContact OD1-N 3.49Å
52	P	89.7	Confident	89.3	Confident	113 Å²	113	105.1 Å²	105.1	73%	0.734	54%	0.538	S	S	*	.	S	Bend	trans	-69.8	-14.6	175.4	28.7	-37.5	0	0	0	115.1	V54	P52-V54 PolarHBondContact O-N 3.45Å
53	C	91.4	Very high	88.2	Confident	27 Å²	27	102.3 Å²	102.3	18%	0.182	53%	0.525	C	S	.	.			trans	-69.8	112.4	178.6	-178.9	0	0	0	0	109.6	C11 V13 N51 I56	C11-C53 HydrophobicContact CB-CB 3.41Å; C11-C53 VanDerWaalsContact CB-CB 3.41Å; C11-C53 WeakPolarHBondContact CB-SG 3.39Å; C11-C53 WeakPolarHBondContact SG-CB 3.31Å; C11-C53 CovalentContact SG-SG 2.08Å; C11-C53 PolarHBondContact SG-SG 2.86Å; V13-C53 HydrophobicContact CG2-CB 4.1Å; V13-C53 VanDerWaalsContact CG2-O 3.27Å; V13-C53 WeakPolarHBondContact CG2-O 3.29Å; V13-C53 WeakPolarHBondContact CG2-SG 2.9Å; N51-C53 VanDerWaalsContact C-N 3.26Å; N51-C53 PolarHBondContact O-N 3.35Å; N51-C53 WeakPolarHBondContact OD1-CB 3.32Å; N51-C53 PolarHBondContact OD1-N 3.49Å; C53-I56 VanDerWaalsContact SG-CG1 3.58Å
54	V	91.3	Very high	87.4	Confident	68 Å²	68	105 Å²	105	41%	0.412	54%	0.536	S	S	.	.			trans	-102.9	-17.9	-178.2	-65.9	0	0	0	0	114.1	V13 P27 L36 P52	V13-V54 WeakPolarHBondContact CG1-O 3.44Å; P27-V54 HydrophobicContact CB-CB 4.44Å; P27-V54 HydrophobicContact CB-CG1 3.82Å; P27-V54 HydrophobicContact CG-CB 4.09Å; P27-V54 HydrophobicContact CG-CG1 3.93Å; L36-V54 HydrophobicContact CD1-CG1 4.27Å; L36-V54 HydrophobicContact CD2-CG1 3.63Å; P52-V54 PolarHBondContact O-N 3.45Å
55	Y	90.3	Very high	86.7	Confident	166 Å²	166	99 Å²	99	65%	0.651	50%	0.503	S	S	*	.			trans	-156.6	139.6	-176.9	174.4	-108.9	0	0	0	109.7	N57	Y55-N57 HydrophobicContact CE1-CB 3.76Å
56	I	90	Very high	86.2	Confident	59 Å²	59	97.8 Å²	97.8	30%	0.303	50%	0.501	S	S	.	.			trans	-126.5	120.6	173.7	-56	169.6	0	0	0	107.1	C11 V13 C53 K58	C11-I56 WeakPolarHBondContact O-CD1 3.46Å; C11-I56 VanDerWaalsContact SG-CD1 3.55Å; V13-I56 HydrophobicContact CB-CD1 4.16Å; V13-I56 HydrophobicContact CB-CG1 4.29Å; V13-I56 HydrophobicContact CG2-CD1 3.75Å; V13-I56 HydrophobicContact CG2-CG1 3.71Å; C53-I56 VanDerWaalsContact SG-CG1 3.58Å; I56-K58 HydrophobicContact CG2-CG 3.7Å
57	N	88.1	Confident	85.6	Confident	105 Å²	105	97.7 Å²	97.7	56%	0.561	50%	0.504	S	S	*	.			trans	-88.6	103	165.3	-171.8	19	0	0	0	108.6	Y55	Y55-N57 HydrophobicContact CE1-CB 3.76Å
58	K	84.6	Confident	85.1	Confident	138 Å²	138	100.7 Å²	100.7	60%	0.6	52%	0.521	S	S	*	.			trans	-92	115.9	170.1	-66.2	-167.1	-174.1	-175.2	0	109	I56 E60	I56-K58 HydrophobicContact CG2-CG 3.7Å; K58-E60 HydrophobicContact CB-CG 4.35Å; K58-E60 WeakPolarHBondContact CD-OE1 3.42Å; K58-E60 PolarHBondContact O-N 2.92Å
59	L	82.8	Confident	84.8	Confident	153 Å²	153	95.9 Å²	95.9	80%	0.801	50%	0.499	S	S	*	.			trans	-88.5	85.7	168.5	-60.8	179.2	0	0	0	107.8	Q61	L59-Q61 PolarHBondContact O-N 3.01Å
60	E	79.3	Confident	84.6	Confident	148 Å²	148	99 Å²	99	69%	0.692	52%	0.516	S	S	*	.			trans	-86	102.6	171.5	-70.8	174	-173.1	0	0	107.6	K58	K58-E60 HydrophobicContact CB-CG 4.35Å; K58-E60 WeakPolarHBondContact CD-OE1 3.42Å; K58-E60 PolarHBondContact O-N 2.92Å
61	Q	74.5	Confident	84.4	Confident	160 Å²	160	93.2 Å²	93.2	75%	0.748	49%	0.488	S	S	*	.			trans	-91.1	100.8	168	-171.3	176	-35.1	0	0	107.6	L59 V63	L59-Q61 PolarHBondContact O-N 3.01Å; Q61-V63 VanDerWaalsContact C-N 3.32Å; Q61-V63 HydrophobicContact CB-CG2 4.49Å; Q61-V63 HydrophobicContact CG-CG2 3.76Å; Q61-V63 PolarHBondContact O-N 2.95Å
62	E	71	Confident	84.5	Confident	189 Å²	189	95.3 Å²	95.3	88%	0.883	50%	0.499	S	S	*	.			trans	-67.9	96.7	163.5	-71	-173.5	173.9	0	0	107.5
63	V	73.1	Confident	84.7	Confident	57 Å²	57	91.4 Å²	91.4	35%	0.345	47%	0.473	S	S	.	.			trans	-84.9	119.6	169.1	-175.3	0	0	0	0	106.8	Q61 E65 L68	Q61-V63 VanDerWaalsContact C-N 3.32Å; Q61-V63 HydrophobicContact CB-CG2 4.49Å; Q61-V63 HydrophobicContact CG-CG2 3.76Å; Q61-V63 PolarHBondContact O-N 2.95Å; V63-E65 PolarHBondContact O-N 2.76Å; V63-L68 HydrophobicContact CG1-CD1 3.73Å; V63-L68 HydrophobicContact CG1-CD2 3.85Å; V63-L68 HydrophobicContact CG1-CG 3.7Å
64	D	79.5	Confident	84.8	Confident	97 Å²	97	90.4 Å²	90.4	52%	0.519	47%	0.466	S	S	.	.			trans	-64.1	106.4	162.9	178	10.1	0	0	0	108	L66 A67 L68	D64-L66 PolarHBondContact O-N 2.94Å; D64-L66 WeakPolarHBondContact OD1-CB 3.23Å; D64-L66 PolarHBondContact OD1-N 3.14Å; D64-A67 HydrophobicContact CB-CB 3.94Å; D64-A67 WeakPolarHBondContact O-CA 3.48Å; D64-A67 VanDerWaalsContact O-CB 3.23Å; D64-A67 WeakPolarHBondContact O-CB 3.13Å; D64-A67 PolarHBondContact O-N 3.36Å; D64-L68 PolarHBondContact O-N 3.24Å
65	E	80.6	Confident	84.9	Confident	43 Å²	43	93.4 Å²	93.4	20%	0.201	48%	0.475	C	S	.	.	H	α-helix	trans	-57.6	-33.6	178.9	-65.2	169.8	174.8	0	0	111.5	V63 A67 L68 E107 Y112	V63-E65 PolarHBondContact O-N 2.76Å; E65-A67 PolarHBondContact O-N 2.92Å; E65-L68 WeakPolarHBondContact O-CB 3.33Å; E65-L68 PolarHBondContact O-N 2.99Å; E65-L68 VanDerWaalsContact O-N 3.14Å; E65-E107 VanDerWaalsContact OE1-CD 3.24Å; E65-E107 VanDerWaalsContact OE1-OE1 3.13Å; E65-Y112 HydrophobicContact CB-CE1 3.98Å; E65-Y112 VanDerWaalsContact CD-OH 3.24Å; E65-Y112 PolarHBondContact OE2-OH 3.45Å
66	L	85.5	Confident	85.1	Confident	42 Å²	42	88.3 Å²	88.3	22%	0.22	46%	0.459	C	S	.	.	H	α-helix	trans	-66.8	-28.8	176.2	-62	175.9	0	0	0	111.4	D64 L68 I69 Y112 K123	D64-L66 PolarHBondContact O-N 2.94Å; D64-L66 WeakPolarHBondContact OD1-CB 3.23Å; D64-L66 PolarHBondContact OD1-N 3.14Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.48Å; L66-I69 HydrophobicContact CD2-CD1 4.03Å; L66-I69 PolarHBondContact O-N 3.03Å; L66-Y112 HydrophobicContact CD2-CD1 3.76Å; L66-Y112 HydrophobicContact CD2-CE1 4.22Å; L66-K123 HydrophobicContact CD2-CB 4.3Å; L66-K123 WeakPolarHBondContact O-CE 3.33Å; L66-K123 PolarHBondContact O-NZ 3.29Å
67	A	84.2	Confident	85.3	Confident	66 Å²	66	91.5 Å²	91.5	55%	0.545	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-28.3	175.1	0	0	0	0	0	112.4	D64 E65 I69	D64-A67 HydrophobicContact CB-CB 3.94Å; D64-A67 WeakPolarHBondContact O-CA 3.48Å; D64-A67 VanDerWaalsContact O-CB 3.23Å; D64-A67 WeakPolarHBondContact O-CB 3.13Å; D64-A67 PolarHBondContact O-N 3.36Å; E65-A67 PolarHBondContact O-N 2.92Å; A67-I69 VanDerWaalsContact C-N 3.27Å; A67-I69 PolarHBondContact O-N 2.82Å
68	L	84.4	Confident	85.6	Confident	117 Å²	117	91.9 Å²	91.9	61%	0.613	49%	0.49	S	S	*	.	H	α-helix	trans	-72.5	-20.6	176.6	-61.1	178.5	0	0	0	113.2	V63 D64 E65 L66 V70	V63-L68 HydrophobicContact CG1-CD1 3.73Å; V63-L68 HydrophobicContact CG1-CD2 3.85Å; V63-L68 HydrophobicContact CG1-CG 3.7Å; D64-L68 PolarHBondContact O-N 3.24Å; E65-L68 WeakPolarHBondContact O-CB 3.33Å; E65-L68 PolarHBondContact O-N 2.99Å; E65-L68 VanDerWaalsContact O-N 3.14Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.48Å; L68-V70 PolarHBondContact O-N 3.03Å
69	I	88.2	Confident	86	Confident	15 Å²	15	87.1 Å²	87.1	8%	0.077	47%	0.471	C	S	.	.	S	Bend	trans	-75.1	116.5	-179.5	-61.8	169.9	0	0	0	110.1	L66 A67 V73 F98 Y112 V114 K123	L66-I69 HydrophobicContact CD2-CD1 4.03Å; L66-I69 PolarHBondContact O-N 3.03Å; A67-I69 VanDerWaalsContact C-N 3.27Å; A67-I69 PolarHBondContact O-N 2.82Å; I69-V73 HydrophobicContact CG2-CG2 4.43Å; I69-F98 HydrophobicContact CB-CZ 4.32Å; I69-F98 HydrophobicContact CD1-CE2 4.24Å; I69-F98 HydrophobicContact CD1-CZ 3.83Å; I69-F98 HydrophobicContact CG1-CE2 4.14Å; I69-F98 HydrophobicContact CG1-CZ 3.8Å; I69-F98 HydrophobicContact CG2-CE1 4.31Å; I69-F98 HydrophobicContact CG2-CZ 3.65Å; I69-Y112 HydrophobicContact CD1-CD1 3.52Å; I69-Y112 HydrophobicContact CD1-CE1 4.39Å; I69-Y112 HydrophobicContact CD1-CG 3.74Å; I69-V114 HydrophobicContact CG2-CG2 3.68Å; I69-K123 HydrophobicContact CB-CD 3.76Å; I69-K123 HydrophobicContact CG2-CD 3.71Å; I69-K123 HydrophobicContact CG2-CG 4.4Å; I69-K123 PolarHBondContact O-NZ 2.89Å
70	V	89.5	Confident	86.6	Confident	84 Å²	84	82.8 Å²	82.8	51%	0.509	45%	0.452	S	S	.	.			trans	-71.9	128.7	172	-175.4	0	0	0	0	108.8	L68 D72 V73	L68-V70 PolarHBondContact O-N 3.03Å; V70-D72 HydrophobicContact CG1-CB 4.01Å; V70-D72 PolarHBondContact O-N 3.19Å; V70-V73 VanDerWaalsContact O-CG1 3.28Å; V70-V73 WeakPolarHBondContact O-CG1 3.46Å; V70-V73 WeakPolarHBondContact O-CG2 3.48Å; V70-V73 PolarHBondContact O-N 3.26Å
71	P	86.7	Confident	87.4	Confident	46 Å²	46	81.1 Å²	81.1	30%	0.299	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-66.1	-24	-179.1	24.3	-32	0	0	0	113.7	V73 V74 L121	P71-V73 PolarHBondContact O-N 3.09Å; P71-V74 WeakPolarHBondContact O-CG2 3.44Å; P71-V74 PolarHBondContact O-N 2.83Å; P71-L121 HydrophobicContact CB-CB 4.07Å; P71-L121 HydrophobicContact CB-CD1 3.97Å; P71-L121 HydrophobicContact CB-CD2 4.17Å; P71-L121 HydrophobicContact CB-CG 4.27Å
72	D	91.1	Very high	88.4	Confident	109 Å²	109	74.1 Å²	74.1	58%	0.583	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-64.7	-8.9	-179.3	-62.7	-12.5	0	0	0	114	V70 V74 H75	V70-D72 HydrophobicContact CG1-CB 4.01Å; V70-D72 PolarHBondContact O-N 3.19Å; D72-V74 PolarHBondContact O-N 3.28Å; D72-H75 WeakPolarHBondContact O-CB 3.27Å; D72-H75 PolarHBondContact O-N 3.41Å
73	V	92.2	Very high	89.5	Confident	31 Å²	31	71.6 Å²	71.6	19%	0.188	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-55.8	-22.1	171.1	-63.9	0	0	0	0	112.7	I69 V70 P71 H75 D76 L79 F98 V114	I69-V73 HydrophobicContact CG2-CG2 4.43Å; V70-V73 VanDerWaalsContact O-CG1 3.28Å; V70-V73 WeakPolarHBondContact O-CG1 3.46Å; V70-V73 WeakPolarHBondContact O-CG2 3.48Å; V70-V73 PolarHBondContact O-N 3.26Å; P71-V73 PolarHBondContact O-N 3.09Å; V73-H75 PolarHBondContact O-N 3.32Å; V73-H75 VanDerWaalsContact O-N 3.15Å; V73-D76 WeakPolarHBondContact O-CB 2.93Å; V73-D76 PolarHBondContact O-N 3.39Å; V73-D76 VanDerWaalsContact O-N 3.11Å; V73-L79 HydrophobicContact CB-CD1 3.84Å; V73-L79 HydrophobicContact CG1-CD1 4.39Å; V73-F98 HydrophobicContact CG2-CE1 4.09Å; V73-V114 HydrophobicContact CG2-CB 4.12Å; V73-V114 HydrophobicContact CG2-CG1 4.28Å; V73-V114 HydrophobicContact CG2-CG2 3.77Å
74	V	94	Very high	90.4	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.03	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-63.7	-16	173.9	-59.3	0	0	0	0	113.7	P71 D72 R81 V114 L121	P71-V74 WeakPolarHBondContact O-CG2 3.44Å; P71-V74 PolarHBondContact O-N 2.83Å; D72-V74 PolarHBondContact O-N 3.28Å; V74-R81 PolarHBondContact O-NH2 2.72Å; V74-V114 HydrophobicContact CG1-CB 4.22Å; V74-V114 HydrophobicContact CG1-CG1 3.62Å; V74-L121 HydrophobicContact CB-CD2 4.5Å; V74-L121 HydrophobicContact CG1-CD2 3.88Å; V74-L121 HydrophobicContact CG2-CD2 3.84Å
75	H	93.9	Very high	91	Very high	131 Å²	131	72.4 Å²	72.4	61%	0.606	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-97.2	-5.9	177	-61.8	-55.2	0	0	0	113.6	D72 V73 P77	D72-H75 WeakPolarHBondContact O-CB 3.27Å; D72-H75 PolarHBondContact O-N 3.41Å; V73-H75 PolarHBondContact O-N 3.32Å; V73-H75 VanDerWaalsContact O-N 3.15Å; H75-P77 VanDerWaalsContact O-CD 3.29Å; H75-P77 WeakPolarHBondContact O-CD 3.12Å
76	D	94.1	Very high	91.6	Very high	60 Å²	60	75.2 Å²	75.2	32%	0.321	41%	0.412	S	S	.	.			trans	-75.2	114.6	178.4	-168.2	-29.1	0	0	0	110.2	V73 T78 L79	V73-D76 WeakPolarHBondContact O-CB 2.93Å; V73-D76 PolarHBondContact O-N 3.39Å; V73-D76 VanDerWaalsContact O-N 3.11Å; D76-T78 PolarHBondContact O-N 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.5Å; D76-T78 PolarHBondContact OD1-N 3.48Å; D76-T78 PolarHBondContact OD1-OG1 2.51Å; D76-L79 HydrophobicContact CB-CB 4.48Å; D76-L79 HydrophobicContact CB-CD1 3.93Å; D76-L79 HydrophobicContact CB-CG 3.94Å; D76-L79 PolarHBondContact O-N 2.99Å
77	P	93.4	Very high	92.1	Very high	126 Å²	126	73.2 Å²	73.2	82%	0.818	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.2	-179.1	32.1	-36.3	0	0	0	113.1	H75	H75-P77 VanDerWaalsContact O-CD 3.29Å; H75-P77 WeakPolarHBondContact O-CD 3.12Å
78	T	94.4	Very high	92.6	Very high	113 Å²	113	81.2 Å²	81.2	69%	0.693	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.2	-179.7	71.8	0	0	0	0	112.7	D76	D76-T78 PolarHBondContact O-N 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.5Å; D76-T78 PolarHBondContact OD1-N 3.48Å; D76-T78 PolarHBondContact OD1-OG1 2.51Å
79	L	94.3	Very high	93.1	Very high	38 Å²	38	84.1 Å²	84.1	20%	0.199	42%	0.421	C	S	.	.	S	Bend	trans	-84.2	136.1	178	-64.4	-178.8	0	0	0	111.3	V73 D76 V96 F98	V73-L79 HydrophobicContact CB-CD1 3.84Å; V73-L79 HydrophobicContact CG1-CD1 4.39Å; D76-L79 HydrophobicContact CB-CB 4.48Å; D76-L79 HydrophobicContact CB-CD1 3.93Å; D76-L79 HydrophobicContact CB-CG 3.94Å; D76-L79 PolarHBondContact O-N 2.99Å; L79-V96 HydrophobicContact CB-CG1 3.42Å; L79-V96 VanDerWaalsContact CB-CG1 3.42Å; L79-V96 HydrophobicContact CD1-CG1 3.71Å; L79-V96 HydrophobicContact CG-CG1 4.21Å; L79-F98 HydrophobicContact CD1-CD1 4.29Å; L79-F98 HydrophobicContact CD2-CB 4.27Å
80	P	95.2	Very high	93.4	Very high	61 Å²	61	86 Å²	86	40%	0.396	44%	0.435	S	S	.	.			trans	-72.7	155.4	-179.6	33.1	-37.1	0	0	0	111.5	V96 F97	P80-V96 WeakPolarHBondContact O-CA 3.46Å; P80-F97 HydrophobicContact CB-CD1 4.29Å; P80-F97 HydrophobicContact CB-CE1 3.55Å; P80-F97 HydrophobicContact CB-CE2 4.27Å; P80-F97 HydrophobicContact CB-CZ 3.54Å; P80-F97 WeakPolarHBondContact CD-O 3.27Å; P80-F97 HydrophobicContact CG-CD1 4.09Å; P80-F97 HydrophobicContact CG-CD2 4.07Å; P80-F97 HydrophobicContact CG-CE1 3.69Å; P80-F97 HydrophobicContact CG-CE2 3.66Å; P80-F97 HydrophobicContact CG-CG 4.29Å; P80-F97 HydrophobicContact CG-CZ 3.46Å; P80-F97 VanDerWaalsContact CG-CZ 3.46Å; P80-F97 WeakPolarHBondContact CG-O 2.88Å; P80-F97 PolarHBondContact O-N 3.22Å; P80-F97 VanDerWaalsContact O-N 3.13Å
81	R	95.8	Very high	93.6	Very high	114 Å²	114	84.4 Å²	84.4	43%	0.43	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149	179.6	-66.1	176	-178.2	-102.4	-13	110.5	V74 E94 A95 V96	V74-R81 PolarHBondContact O-NH2 2.72Å; R81-E94 IonicContact CZ-OE1 2.8Å; R81-E94 IonicContact NH1-OE1 3.89Å; R81-E94 PolarHBondContact NH1-OE1 3.41Å; R81-A95 CarbonylContact C-O 3.55Å; R81-A95 WeakPolarHBondContact CA-O 3.27Å; R81-V96 HydrophobicContact CG-CG2 4.15Å
82	T	94.7	Very high	93.9	Very high	13 Å²	13	86.1 Å²	86.1	8%	0.08	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146	174.9	176.2	0	0	0	0	110.5	D84 E94 A95 F97 Y113	T82-D84 WeakPolarHBondContact OG1-CB 3.09Å; T82-D84 PolarHBondContact OG1-N 2.92Å; T82-D84 PolarHBondContact OG1-OD2 3.31Å; T82-E94 WeakPolarHBondContact O-CA 3.36Å; T82-A95 HydrophobicContact CG2-CB 4.34Å; T82-A95 PolarHBondContact N-O 3.4Å; T82-A95 PolarHBondContact O-N 3.09Å; T82-F97 HydrophobicContact CG2-CD1 3.75Å; T82-F97 HydrophobicContact CG2-CE1 4.32Å; T82-Y113 HydrophobicContact CG2-CD1 4.16Å; T82-Y113 HydrophobicContact CG2-CE1 4.02Å
83	E	95	Very high	93.9	Very high	135 Å²	135	85.8 Å²	85.8	63%	0.631	43%	0.433	S	S	*	.	S	Bend	trans	-107.8	9.6	169.5	-58.6	-177.3	-178	0	0	111.1	H85 Q93	E83-H85 VanDerWaalsContact C-N 3.32Å; E83-Q93 VanDerWaalsContact CA-O 3.29Å; E83-Q93 WeakPolarHBondContact CA-O 3.33Å; E83-Q93 HydrophobicContact CB-CG 4.37Å; E83-Q93 WeakPolarHBondContact CB-O 3.38Å; E83-Q93 WeakPolarHBondContact CG-O 3.49Å; E83-Q93 VanDerWaalsContact O-CD 3.26Å; E83-Q93 WeakPolarHBondContact O-CG 3.28Å; E83-Q93 PolarHBondContact O-NE2 2.91Å
84	D	93	Very high	94.1	Very high	137 Å²	137	86.5 Å²	86.5	73%	0.733	43%	0.434	S	S	*	.	S	Bend	trans	-81.4	-16.7	-177.3	-57.8	-55.6	0	0	0	112.4	T82	T82-D84 WeakPolarHBondContact OG1-CB 3.09Å; T82-D84 PolarHBondContact OG1-N 2.92Å; T82-D84 PolarHBondContact OG1-OD2 3.31Å
85	H	91	Very high	94.1	Very high	34 Å²	34	86.3 Å²	86.3	16%	0.157	43%	0.433	C	S	.	.	S	Bend	trans	-117.1	121.3	-174.1	-55.6	-95.7	0	0	0	111.5	E83 Y113 W124 E126	E83-H85 VanDerWaalsContact C-N 3.32Å; H85-Y113 AromaticContact CD2-CE1 3.48Å; H85-Y113 VanDerWaalsContact CD2-CE1 3.48Å; H85-Y113 WeakPolarHBondContact CD2-CE1 3.36Å; H85-Y113 AromaticContact CE1-CZ 3.79Å; H85-Y113 PolarHBondContact CE1-OH 2.92Å; H85-Y113 AromaticContact CG-CE1 3.92Å; H85-Y113 AromaticContact NE2-CE1 3.53Å; H85-Y113 AromaticContact NE2-CZ 3.67Å; H85-Y113 PolarHBondContact NE2-OH 3.39Å; H85-W124 HydrophobicContact CB-CZ2 4.02Å; H85-E126 IonicContact CE1-OE1 3.26Å; H85-E126 PolarHBondContact CE1-OE1 2.94Å; H85-E126 IonicContact CE1-OE2 2.91Å; H85-E126 PolarHBondContact CE1-OE2 3.32Å; H85-E126 VanDerWaalsContact CE1-OE2 3.26Å; H85-E126 IonicContact CG-OE1 2.72Å; H85-E126 IonicContact ND1-OE1 3.77Å; H85-E126 PolarHBondContact ND1-OE1 2.97Å; H85-E126 IonicContact ND1-OE2 3.09Å
86	I	93.6	Very high	94.2	Very high	102 Å²	102	80 Å²	80	52%	0.523	40%	0.404	S	S	.	.			trans	-84.7	126.8	177.2	-61.1	172.1	0	0	0	109.5	R88 Q93	I86-R88 PolarHBondContact O-N 3.2Å; I86-Q93 HydrophobicContact CG1-CB 4.24Å; I86-Q93 HydrophobicContact CG1-CG 4.01Å
87	C	95.6	Very high	94.2	Very high	1 Å²	1	79.8 Å²	79.8	1%	0.007	40%	0.4	C	S	.	.			trans	-64.2	117.3	173.9	-178.5	0	0	0	0	110.6	R89 C90 G91 K92 C115 C120 W124	C87-R89 PolarHBondContact O-N 3.42Å; C87-R89 VanDerWaalsContact O-N 3.09Å; C87-C90 VanDerWaalsContact SG-SG 3.68Å; C87-G91 VanDerWaalsContact O-CA 3.28Å; C87-G91 WeakPolarHBondContact O-CA 3.17Å; C87-G91 PolarHBondContact O-N 2.08Å; C87-K92 VanDerWaalsContact CB-O 3.3Å; C87-K92 WeakPolarHBondContact CB-O 3.15Å; C87-K92 PolarHBondContact N-O 2.75Å; C87-C115 HydrophobicContact CB-CB 4.19Å; C87-C120 VanDerWaalsContact SG-SG 3.62Å; C87-W124 HydrophobicContact CB-CH2 4.4Å
88	R	94.2	Very high	94.1	Very high	234 Å²	234	75.8 Å²	75.8	88%	0.883	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16	-179.9	-60.3	-173.5	-174.1	-161.3	2.8	114.5	I86	I86-R88 PolarHBondContact O-N 3.2Å
89	R	94.5	Very high	93.8	Very high	177 Å²	177	75.1 Å²	75.1	67%	0.668	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-40.6	-176.9	-168	-179.6	-164	-165.2	6.3	113.4	C87 C120 H122	C87-R89 PolarHBondContact O-N 3.42Å; C87-R89 VanDerWaalsContact O-N 3.09Å; R89-C120 PolarHBondContact NH1-O 2.78Å; R89-C120 VanDerWaalsContact NH1-O 3.11Å; R89-H122 HydrophobicContact CB-CB 4.03Å
90	C	96.2	Very high	93	Very high	55 Å²	55	75.1 Å²	75.1	37%	0.372	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-7.6	-175.8	69.7	0	0	0	0	114.4	C87 K92 C115 C120	C87-C90 VanDerWaalsContact SG-SG 3.68Å; C90-K92 PolarHBondContact O-N 2.82Å; C90-C115 VanDerWaalsContact SG-SG 3.66Å; C90-C120 HydrophobicContact CB-CB 4.06Å; C90-C120 VanDerWaalsContact SG-SG 3.65Å
91	G	93.5	Very high	91.9	Very high	51 Å²	51	81.2 Å²	81.2	53%	0.526	39%	0.386	S	S	.	.			trans	75.7	-0.6	-178.3	0	0	0	0	0	115.2	C87	C87-G91 VanDerWaalsContact O-CA 3.28Å; C87-G91 WeakPolarHBondContact O-CA 3.17Å; C87-G91 PolarHBondContact O-N 2.08Å
92	K	91.7	Very high	90.6	Very high	81 Å²	81	78.5 Å²	78.5	35%	0.352	38%	0.381	S	S	.	.			trans	-69.4	139.4	175.7	-166.3	-179	177.8	-160.1	0	110.4	C87 C90 E94 T116 N117	C87-K92 VanDerWaalsContact CB-O 3.3Å; C87-K92 WeakPolarHBondContact CB-O 3.15Å; C87-K92 PolarHBondContact N-O 2.75Å; C90-K92 PolarHBondContact O-N 2.82Å; K92-E94 WeakPolarHBondContact CE-OE2 3.41Å; K92-E94 IonicContact NZ-OE2 3.57Å; K92-E94 PolarHBondContact NZ-OE2 2.71Å; K92-T116 PolarHBondContact NZ-OG1 3.48Å; K92-N117 HydrophobicContact CD-CB 3.97Å
93	Q	91.9	Very high	89	Confident	103 Å²	103	86.2 Å²	86.2	48%	0.481	42%	0.421	S	S	.	.			trans	-104.9	51.7	-176.1	-172	170.5	0.1	0	0	110.7	E83 I86	E83-Q93 VanDerWaalsContact CA-O 3.29Å; E83-Q93 WeakPolarHBondContact CA-O 3.33Å; E83-Q93 HydrophobicContact CB-CG 4.37Å; E83-Q93 WeakPolarHBondContact CB-O 3.38Å; E83-Q93 WeakPolarHBondContact CG-O 3.49Å; E83-Q93 VanDerWaalsContact O-CD 3.26Å; E83-Q93 WeakPolarHBondContact O-CG 3.28Å; E83-Q93 PolarHBondContact O-NE2 2.91Å; I86-Q93 HydrophobicContact CG1-CB 4.24Å; I86-Q93 HydrophobicContact CG1-CG 4.01Å
94	E	95.2	Very high	87.4	Confident	46 Å²	46	85.5 Å²	85.5	22%	0.215	42%	0.416	C	S	.	.			trans	-148.8	124.8	174	-167.6	-158.9	176.9	0	0	109.1	R81 T82 K92 T116	R81-E94 IonicContact CZ-OE1 2.8Å; R81-E94 IonicContact NH1-OE1 3.89Å; R81-E94 PolarHBondContact NH1-OE1 3.41Å; T82-E94 WeakPolarHBondContact O-CA 3.36Å; K92-E94 WeakPolarHBondContact CE-OE2 3.41Å; K92-E94 IonicContact NZ-OE2 3.57Å; K92-E94 PolarHBondContact NZ-OE2 2.71Å; E94-T116 HydrophobicContact CB-CG2 4.28Å; E94-T116 WeakPolarHBondContact CB-OG1 3.02Å; E94-T116 VanDerWaalsContact CD-OG1 3.24Å; E94-T116 HydrophobicContact CG-CG2 3.74Å; E94-T116 PolarHBondContact O-N 3.33Å; E94-T116 PolarHBondContact O-OG1 3.32Å; E94-T116 WeakPolarHBondContact OE2-CB 3.35Å; E94-T116 PolarHBondContact OE2-OG1 3.49Å
95	A	95.4	Very high	85.6	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.9	179.8	0	0	0	0	0	111.1	R81 T82 Y113 V114 W124	R81-A95 CarbonylContact C-O 3.55Å; R81-A95 WeakPolarHBondContact CA-O 3.27Å; T82-A95 HydrophobicContact CG2-CB 4.34Å; T82-A95 PolarHBondContact N-O 3.4Å; T82-A95 PolarHBondContact O-N 3.09Å; A95-Y113 HydrophobicContact CB-CD1 4.34Å; A95-V114 CarbonylContact C-O 3.55Å; A95-V114 VanDerWaalsContact CA-O 3.25Å; A95-V114 WeakPolarHBondContact CA-O 3.26Å; A95-W124 HydrophobicContact CB-CH2 3.58Å; A95-W124 HydrophobicContact CB-CZ2 3.91Å
96	V	95.5	Very high	84.2	Confident	0 Å²	0	91.5 Å²	91.5	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	140.4	161.6	177.5	0	0	0	0	108	L79 P80 R81 Y113 V114 T116	L79-V96 HydrophobicContact CB-CG1 3.42Å; L79-V96 VanDerWaalsContact CB-CG1 3.42Å; L79-V96 HydrophobicContact CD1-CG1 3.71Å; L79-V96 HydrophobicContact CG-CG1 4.21Å; P80-V96 WeakPolarHBondContact O-CA 3.46Å; R81-V96 HydrophobicContact CG-CG2 4.15Å; V96-Y113 CarbonylContact O-C 3.48Å; V96-Y113 VanDerWaalsContact O-CA 3.31Å; V96-Y113 WeakPolarHBondContact O-CA 3.49Å; V96-V114 PolarHBondContact N-O 3.42Å; V96-V114 PolarHBondContact O-N 3.23Å; V96-T116 HydrophobicContact CG2-CG2 4.13Å
97	F	94.1	Very high	82.7	Confident	54 Å²	54	89.2 Å²	89.2	24%	0.237	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.6	176.9	71.3	-85	0	0	0	113.3	P80 T82 L111 Y112 Y113	P80-F97 HydrophobicContact CB-CD1 4.29Å; P80-F97 HydrophobicContact CB-CE1 3.55Å; P80-F97 HydrophobicContact CB-CE2 4.27Å; P80-F97 HydrophobicContact CB-CZ 3.54Å; P80-F97 WeakPolarHBondContact CD-O 3.27Å; P80-F97 HydrophobicContact CG-CD1 4.09Å; P80-F97 HydrophobicContact CG-CD2 4.07Å; P80-F97 HydrophobicContact CG-CE1 3.69Å; P80-F97 HydrophobicContact CG-CE2 3.66Å; P80-F97 HydrophobicContact CG-CG 4.29Å; P80-F97 HydrophobicContact CG-CZ 3.46Å; P80-F97 VanDerWaalsContact CG-CZ 3.46Å; P80-F97 WeakPolarHBondContact CG-O 2.88Å; P80-F97 PolarHBondContact O-N 3.22Å; P80-F97 VanDerWaalsContact O-N 3.13Å; T82-F97 HydrophobicContact CG2-CD1 3.75Å; T82-F97 HydrophobicContact CG2-CE1 4.32Å; F97-L111 HydrophobicContact CD2-CD1 4.41Å; F97-L111 HydrophobicContact CD2-CD2 4.19Å; F97-Y112 CarbonylContact C-O 3.47Å; F97-Y112 WeakPolarHBondContact CA-O 3.2Å; F97-Y112 WeakPolarHBondContact CB-O 3.23Å; F97-Y113 HydrophobicContact CB-CD1 3.66Å; F97-Y113 HydrophobicContact CB-CE1 3.77Å; F97-Y113 HydrophobicContact CB-CG 4.37Å; F97-Y113 HydrophobicContact CG-CE1 4.42Å
98	F	91.9	Very high	81.4	Confident	42 Å²	42	95.4 Å²	95.4	18%	0.184	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	163.4	179.1	56.2	-88.2	0	0	0	111.4	I69 V73 L79 Y112 V114	I69-F98 HydrophobicContact CB-CZ 4.32Å; I69-F98 HydrophobicContact CD1-CE2 4.24Å; I69-F98 HydrophobicContact CD1-CZ 3.83Å; I69-F98 HydrophobicContact CG1-CE2 4.14Å; I69-F98 HydrophobicContact CG1-CZ 3.8Å; I69-F98 HydrophobicContact CG2-CE1 4.31Å; I69-F98 HydrophobicContact CG2-CZ 3.65Å; V73-F98 HydrophobicContact CG2-CE1 4.09Å; L79-F98 HydrophobicContact CD1-CD1 4.29Å; L79-F98 HydrophobicContact CD2-CB 4.27Å; F98-Y112 HydrophobicContact CE2-CG 4.48Å; F98-Y112 PolarHBondContact N-O 3.28Å; F98-Y112 PolarHBondContact O-N 2.8Å; F98-V114 HydrophobicContact CE1-CG2 3.96Å; F98-V114 HydrophobicContact CZ-CG2 4.44Å
99	Q	88.5	Confident	80.6	Confident	99 Å²	99	91.5 Å²	91.5	46%	0.463	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	146.2	172.4	-65.7	178.2	15.8	0	0	110.3	M109 R110 L111	Q99-M109 VanDerWaalsContact CD-CG 3.49Å; Q99-M109 HydrophobicContact CG-CG 4.28Å; Q99-M109 PolarHBondContact NE2-SD 3.09Å; Q99-R110 WeakPolarHBondContact CA-O 3.41Å; Q99-L111 HydrophobicContact CG-CD2 3.57Å
100	S	76.8	Confident	80.2	Confident	39 Å²	39	88.9 Å²	88.9	27%	0.273	46%	0.462	S	S	.	.			trans	-62.3	148.8	173.8	50.3	0	0	0	0	110.9	T102 Y112	S100-T102 VanDerWaalsContact C-N 3.25Å; S100-Y112 WeakPolarHBondContact OG-CE2 3.34Å; S100-Y112 PolarHBondContact OG-OH 2.73Å
101	Q	72	Confident	79.9	Confident	189 Å²	189	89 Å²	89	88%	0.883	46%	0.459	S	S	*	.			trans	-89.2	12.1	172.4	-60.1	-175.8	22.2	0	0	112.2	L103	Q101-L103 PolarHBondContact O-N 2.88Å
102	T	67.8	Low	79.8	Confident	56 Å²	56	86.8 Å²	86.8	34%	0.344	44%	0.435	S	S	.	.			trans	-65.5	129.4	-172.4	-43.8	0	0	0	0	110.2	S100 K104 E107	S100-T102 VanDerWaalsContact C-N 3.25Å; T102-K104 HydrophobicContact CG2-CB 3.94Å; T102-K104 HydrophobicContact CG2-CD 4.02Å; T102-K104 HydrophobicContact CG2-CG 3.95Å; T102-K104 PolarHBondContact O-N 2.81Å; T102-E107 WeakPolarHBondContact CB-OE2 3.32Å; T102-E107 VanDerWaalsContact CG2-OE2 3.27Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.36Å; T102-E107 PolarHBondContact OG1-OE2 2.95Å
103	L	61	Low	80	Confident	175 Å²	175	83.5 Å²	83.5	92%	0.916	42%	0.42	S	S	*	.			trans	-74.7	1.9	177.3	-68.5	170.9	0	0	0	113.6	Q101 A105	Q101-L103 PolarHBondContact O-N 2.88Å; L103-A105 PolarHBondContact O-N 2.97Å
104	K	61.2	Low	80.1	Confident	121 Å²	121	78.6 Å²	78.6	53%	0.526	40%	0.397	S	S	.	.			trans	-69.3	101.7	178.8	-80.5	175	171.8	-177.6	0	107.5	T102 E106 E107	T102-K104 HydrophobicContact CG2-CB 3.94Å; T102-K104 HydrophobicContact CG2-CD 4.02Å; T102-K104 HydrophobicContact CG2-CG 3.95Å; T102-K104 PolarHBondContact O-N 2.81Å; K104-E106 PolarHBondContact O-N 3.05Å; K104-E107 HydrophobicContact CB-CG 4.06Å; K104-E107 WeakPolarHBondContact CD-OE1 3.46Å; K104-E107 IonicContact NZ-OE1 4Å; K104-E107 PolarHBondContact O-N 3.45Å
105	A	54.9	Low	80.2	Confident	108 Å²	108	76.4 Å²	76.4	89%	0.893	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-14	179.9	0	0	0	0	0	114	L103	L103-A105 PolarHBondContact O-N 2.97Å
106	E	61.7	Low	80.2	Confident	188 Å²	188	77 Å²	77	88%	0.879	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.5	178.5	-60.5	-171.8	163.7	0	0	113.8	K104 N108	K104-E106 PolarHBondContact O-N 3.05Å; E106-N108 PolarHBondContact O-N 2.8Å
107	E	62.1	Low	80.1	Confident	55 Å²	55	79.1 Å²	79.1	26%	0.257	40%	0.402	S	S	.	.	S	Bend	trans	-82.8	109.4	178.5	-75.7	168.2	-165.4	0	0	109.6	E65 T102 K104	E65-E107 VanDerWaalsContact OE1-CD 3.24Å; E65-E107 VanDerWaalsContact OE1-OE1 3.13Å; T102-E107 WeakPolarHBondContact CB-OE2 3.32Å; T102-E107 VanDerWaalsContact CG2-OE2 3.27Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.36Å; T102-E107 PolarHBondContact OG1-OE2 2.95Å; K104-E107 HydrophobicContact CB-CG 4.06Å; K104-E107 WeakPolarHBondContact CD-OE1 3.46Å; K104-E107 IonicContact NZ-OE1 4Å; K104-E107 PolarHBondContact O-N 3.45Å
108	N	69.3	Low	80	Confident	131 Å²	131	81.1 Å²	81.1	70%	0.701	42%	0.418	S	S	*	.			trans	-50.6	143.7	168.8	-69.9	-26	0	0	0	110.1	E106 R110	E106-N108 PolarHBondContact O-N 2.8Å; N108-R110 WeakPolarHBondContact O-CG 3.18Å; N108-R110 PolarHBondContact O-N 2.75Å
109	M	78	Confident	80.1	Confident	152 Å²	152	87.9 Å²	87.9	75%	0.749	45%	0.451	S	S	*	.			trans	-51.7	106.3	174.6	-174.1	179.6	-71.6	0	0	110.3	Q99	Q99-M109 VanDerWaalsContact CD-CG 3.49Å; Q99-M109 HydrophobicContact CG-CG 4.28Å; Q99-M109 PolarHBondContact NE2-SD 3.09Å
110	R	84.6	Confident	80.4	Confident	121 Å²	121	83.7 Å²	83.7	46%	0.457	43%	0.432	S	S	.	.			trans	-118.1	149.7	179.2	-79.4	-178.7	177.8	164.5	0.5	110.9	Q99 N108 Y112	Q99-R110 WeakPolarHBondContact CA-O 3.41Å; N108-R110 WeakPolarHBondContact O-CG 3.18Å; N108-R110 PolarHBondContact O-N 2.75Å; R110-Y112 HydrophobicContact CB-CE2 4.48Å
111	L	90.4	Very high	81.2	Confident	58 Å²	58	84 Å²	84	30%	0.304	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.1	176.1	-67.3	177.3	0	0	0	110.2	F97 Q99 Y113 T125	F97-L111 HydrophobicContact CD2-CD1 4.41Å; F97-L111 HydrophobicContact CD2-CD2 4.19Å; Q99-L111 HydrophobicContact CG-CD2 3.57Å; L111-Y113 HydrophobicContact CB-CE2 3.86Å; L111-T125 PolarHBondContact O-OG1 3.36Å
112	Y	92.4	Very high	82.3	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.016	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.7	172.2	-60	-93.3	0	0	0	109.1	E65 L66 I69 F97 F98 S100 R110	E65-Y112 HydrophobicContact CB-CE1 3.98Å; E65-Y112 VanDerWaalsContact CD-OH 3.24Å; E65-Y112 PolarHBondContact OE2-OH 3.45Å; L66-Y112 HydrophobicContact CD2-CD1 3.76Å; L66-Y112 HydrophobicContact CD2-CE1 4.22Å; I69-Y112 HydrophobicContact CD1-CD1 3.52Å; I69-Y112 HydrophobicContact CD1-CE1 4.39Å; I69-Y112 HydrophobicContact CD1-CG 3.74Å; F97-Y112 CarbonylContact C-O 3.47Å; F97-Y112 WeakPolarHBondContact CA-O 3.2Å; F97-Y112 WeakPolarHBondContact CB-O 3.23Å; F98-Y112 HydrophobicContact CE2-CG 4.48Å; F98-Y112 PolarHBondContact N-O 3.28Å; F98-Y112 PolarHBondContact O-N 2.8Å; S100-Y112 WeakPolarHBondContact OG-CE2 3.34Å; S100-Y112 PolarHBondContact OG-OH 2.73Å; R110-Y112 HydrophobicContact CB-CE2 4.48Å
113	Y	94.3	Very high	83.6	Confident	12 Å²	12	77.5 Å²	77.5	5%	0.047	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.1	-177	-60.5	-95.1	0	0	0	109.8	T82 H85 A95 V96 F97 L111 K123 W124 E126	T82-Y113 HydrophobicContact CG2-CD1 4.16Å; T82-Y113 HydrophobicContact CG2-CE1 4.02Å; H85-Y113 AromaticContact CD2-CE1 3.48Å; H85-Y113 VanDerWaalsContact CD2-CE1 3.48Å; H85-Y113 WeakPolarHBondContact CD2-CE1 3.36Å; H85-Y113 AromaticContact CE1-CZ 3.79Å; H85-Y113 PolarHBondContact CE1-OH 2.92Å; H85-Y113 AromaticContact CG-CE1 3.92Å; H85-Y113 AromaticContact NE2-CE1 3.53Å; H85-Y113 AromaticContact NE2-CZ 3.67Å; H85-Y113 PolarHBondContact NE2-OH 3.39Å; A95-Y113 HydrophobicContact CB-CD1 4.34Å; V96-Y113 CarbonylContact O-C 3.48Å; V96-Y113 VanDerWaalsContact O-CA 3.31Å; V96-Y113 WeakPolarHBondContact O-CA 3.49Å; F97-Y113 HydrophobicContact CB-CD1 3.66Å; F97-Y113 HydrophobicContact CB-CE1 3.77Å; F97-Y113 HydrophobicContact CB-CG 4.37Å; F97-Y113 HydrophobicContact CG-CE1 4.42Å; L111-Y113 HydrophobicContact CB-CE2 3.86Å; Y113-K123 VanDerWaalsContact O-CA 3.29Å; Y113-K123 WeakPolarHBondContact O-CA 3.39Å; Y113-W124 VanDerWaalsContact CB-CZ2 3.43Å; Y113-W124 HydrophobicContact CD1-CZ2 4.37Å; Y113-W124 AromaticContact CD2-CD1 3.96Å; Y113-W124 AromaticContact CD2-NE1 3.66Å; Y113-W124 AromaticContact CG-CE2 3.81Å; Y113-W124 HydrophobicContact CG-CZ2 4.03Å; Y113-W124 AromaticContact CG-NE1 3.62Å; Y113-W124 PolarHBondContact N-O 2.87Å; Y113-W124 PolarHBondContact O-N 2.91Å; Y113-E126 HydrophobicContact CE2-CB 4.42Å; Y113-E126 HydrophobicContact CE2-CG 3.96Å
114	V	95.3	Very high	85.1	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.8	174.8	-172.4	0	0	0	0	109	I69 V73 V74 A95 V96 F98 T116 K123	I69-V114 HydrophobicContact CG2-CG2 3.68Å; V73-V114 HydrophobicContact CG2-CB 4.12Å; V73-V114 HydrophobicContact CG2-CG1 4.28Å; V73-V114 HydrophobicContact CG2-CG2 3.77Å; V74-V114 HydrophobicContact CG1-CB 4.22Å; V74-V114 HydrophobicContact CG1-CG1 3.62Å; A95-V114 CarbonylContact C-O 3.55Å; A95-V114 VanDerWaalsContact CA-O 3.25Å; A95-V114 WeakPolarHBondContact CA-O 3.26Å; V96-V114 PolarHBondContact N-O 3.42Å; V96-V114 PolarHBondContact O-N 3.23Å; F98-V114 HydrophobicContact CE1-CG2 3.96Å; F98-V114 HydrophobicContact CZ-CG2 4.44Å; V114-T116 PolarHBondContact O-N 2.91Å; V114-K123 HydrophobicContact CG1-CG 4.27Å; V114-K123 HydrophobicContact CG2-CG 4.16Å
115	C	96.4	Very high	86.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131.1	177.7	-176.7	0	0	0	0	110.3	C87 C90 N117 H122 W124	C87-C115 HydrophobicContact CB-CB 4.19Å; C90-C115 VanDerWaalsContact SG-SG 3.66Å; C115-N117 PolarHBondContact O-N 2.8Å; C115-H122 HydrophobicContact CB-CB 4.49Å; C115-H122 PolarHBondContact N-O 3.33Å; C115-W124 HydrophobicContact CB-CH2 4.44Å; C115-W124 HydrophobicContact CB-CZ3 3.97Å
116	T	95.8	Very high	87.6	Confident	14 Å²	14	70 Å²	70	9%	0.086	34%	0.341	C	S	.	.	S	Bend	trans	-74.3	-8.2	-178.9	64.3	0	0	0	0	113.9	K92 E94 V96 V114 V118	K92-T116 PolarHBondContact NZ-OG1 3.48Å; E94-T116 HydrophobicContact CB-CG2 4.28Å; E94-T116 WeakPolarHBondContact CB-OG1 3.02Å; E94-T116 VanDerWaalsContact CD-OG1 3.24Å; E94-T116 HydrophobicContact CG-CG2 3.74Å; E94-T116 PolarHBondContact O-N 3.33Å; E94-T116 PolarHBondContact O-OG1 3.32Å; E94-T116 WeakPolarHBondContact OE2-CB 3.35Å; E94-T116 PolarHBondContact OE2-OG1 3.49Å; V96-T116 HydrophobicContact CG2-CG2 4.13Å; V114-T116 PolarHBondContact O-N 2.91Å; T116-V118 PolarHBondContact O-N 3.18Å
117	N	94.4	Very high	88.9	Confident	44 Å²	44	64.1 Å²	64.1	24%	0.235	31%	0.314	C	S	.	.			trans	-73.7	114.5	175.3	-179.8	4.4	0	0	0	109.8	K92 C115 E119 C120 L121	K92-N117 HydrophobicContact CD-CB 3.97Å; C115-N117 PolarHBondContact O-N 2.8Å; N117-E119 PolarHBondContact O-N 2.82Å; N117-E119 PolarHBondContact OD1-N 2.87Å; N117-C120 HydrophobicContact CB-CB 3.87Å; N117-C120 WeakPolarHBondContact O-CA 3.45Å; N117-C120 PolarHBondContact O-N 3.34Å; N117-L121 PolarHBondContact O-N 3.4Å
118	V	92.2	Very high	90.3	Very high	95 Å²	95	64.6 Å²	64.6	58%	0.576	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.7	179.8	-176	0	0	0	0	112.5	T116 C120 L121	T116-V118 PolarHBondContact O-N 3.18Å; V118-C120 VanDerWaalsContact C-N 3.28Å; V118-C120 PolarHBondContact O-N 2.87Å; V118-L121 WeakPolarHBondContact O-CD1 3.44Å
119	E	93.4	Very high	91.5	Very high	184 Å²	184	60.9 Å²	60.9	86%	0.86	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.6	175.8	-61.5	-177.9	170.3	0	0	113.1	N117	N117-E119 PolarHBondContact O-N 2.82Å; N117-E119 PolarHBondContact OD1-N 2.87Å
120	C	94.4	Very high	92.2	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.074	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-59.5	-174.6	-177.8	0	0	0	0	112.5	C87 R89 C90 N117 V118 H122	C87-C120 VanDerWaalsContact SG-SG 3.62Å; R89-C120 PolarHBondContact NH1-O 2.78Å; R89-C120 VanDerWaalsContact NH1-O 3.11Å; C90-C120 HydrophobicContact CB-CB 4.06Å; C90-C120 VanDerWaalsContact SG-SG 3.65Å; N117-C120 HydrophobicContact CB-CB 3.87Å; N117-C120 WeakPolarHBondContact O-CA 3.45Å; N117-C120 PolarHBondContact O-N 3.34Å; V118-C120 VanDerWaalsContact C-N 3.28Å; V118-C120 PolarHBondContact O-N 2.87Å; C120-H122 PolarHBondContact O-N 2.92Å; C120-H122 VanDerWaalsContact SG-CB 3.6Å
121	L	94.7	Very high	92.7	Very high	45 Å²	45	51.4 Å²	51.4	24%	0.236	26%	0.258	C	S	.	.			trans	44.9	31.8	-177.9	-63.4	163.9	0	0	0	113.8	P71 V74 N117 V118	P71-L121 HydrophobicContact CB-CB 4.07Å; P71-L121 HydrophobicContact CB-CD1 3.97Å; P71-L121 HydrophobicContact CB-CD2 4.17Å; P71-L121 HydrophobicContact CB-CG 4.27Å; V74-L121 HydrophobicContact CB-CD2 4.5Å; V74-L121 HydrophobicContact CG1-CD2 3.88Å; V74-L121 HydrophobicContact CG2-CD2 3.84Å; N117-L121 PolarHBondContact O-N 3.4Å; V118-L121 WeakPolarHBondContact O-CD1 3.44Å
122	H	95.1	Very high	92.9	Very high	59 Å²	59	51 Å²	51	27%	0.273	26%	0.255	S	S	.	.			trans	-66.7	138.3	179.9	-178	56.7	0	0	0	110	R89 C115 C120 W124	R89-H122 HydrophobicContact CB-CB 4.03Å; C115-H122 HydrophobicContact CB-CB 4.49Å; C115-H122 PolarHBondContact N-O 3.33Å; C120-H122 PolarHBondContact O-N 2.92Å; C120-H122 VanDerWaalsContact SG-CB 3.6Å; H122-W124 AromaticContact CD2-CE3 3.72Å; H122-W124 VanDerWaalsContact O-CZ3 3.29Å; H122-W124 WeakPolarHBondContact O-CZ3 3.39Å
123	K	93.7	Very high	92.9	Very high	50 Å²	50	54.4 Å²	54.4	22%	0.217	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.1	-176.8	-56.5	178.2	-86.7	178.3	0	108.8	L66 I69 Y113 V114	L66-K123 HydrophobicContact CD2-CB 4.3Å; L66-K123 WeakPolarHBondContact O-CE 3.33Å; L66-K123 PolarHBondContact O-NZ 3.29Å; I69-K123 HydrophobicContact CB-CD 3.76Å; I69-K123 HydrophobicContact CG2-CD 3.71Å; I69-K123 HydrophobicContact CG2-CG 4.4Å; I69-K123 PolarHBondContact O-NZ 2.89Å; Y113-K123 VanDerWaalsContact O-CA 3.29Å; Y113-K123 WeakPolarHBondContact O-CA 3.39Å; V114-K123 HydrophobicContact CG1-CG 4.27Å; V114-K123 HydrophobicContact CG2-CG 4.16Å
124	W	93.2	Very high	92.8	Very high	34 Å²	34	57.6 Å²	57.6	13%	0.129	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	163.9	175.9	69.1	97.2	0	0	0	110.9	H85 C87 A95 Y113 C115 H122	H85-W124 HydrophobicContact CB-CZ2 4.02Å; C87-W124 HydrophobicContact CB-CH2 4.4Å; A95-W124 HydrophobicContact CB-CH2 3.58Å; A95-W124 HydrophobicContact CB-CZ2 3.91Å; Y113-W124 VanDerWaalsContact CB-CZ2 3.43Å; Y113-W124 HydrophobicContact CD1-CZ2 4.37Å; Y113-W124 AromaticContact CD2-CD1 3.96Å; Y113-W124 AromaticContact CD2-NE1 3.66Å; Y113-W124 AromaticContact CG-CE2 3.81Å; Y113-W124 HydrophobicContact CG-CZ2 4.03Å; Y113-W124 AromaticContact CG-NE1 3.62Å; Y113-W124 PolarHBondContact N-O 2.87Å; Y113-W124 PolarHBondContact O-N 2.91Å; C115-W124 HydrophobicContact CB-CH2 4.44Å; C115-W124 HydrophobicContact CB-CZ3 3.97Å; H122-W124 AromaticContact CD2-CE3 3.72Å; H122-W124 VanDerWaalsContact O-CZ3 3.29Å; H122-W124 WeakPolarHBondContact O-CZ3 3.39Å
125	T	89.5	Confident	92.6	Very high	51 Å²	51	62.4 Å²	62.4	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.8	170	-177.1	0	0	0	0	107.9	L111	L111-T125 PolarHBondContact O-OG1 3.36Å
126	E	78.6	Confident	92.3	Very high	162 Å²	162	68.1 Å²	68.1	76%	0.757	34%	0.341	S	S	*	.			trans	-99.1	0	164.1	-64.2	-167.7	162.5	0	0	111.6	H85 Y113	H85-E126 IonicContact CE1-OE1 3.26Å; H85-E126 PolarHBondContact CE1-OE1 2.94Å; H85-E126 IonicContact CE1-OE2 2.91Å; H85-E126 PolarHBondContact CE1-OE2 3.32Å; H85-E126 VanDerWaalsContact CE1-OE2 3.26Å; H85-E126 IonicContact CG-OE1 2.72Å; H85-E126 IonicContact ND1-OE1 3.77Å; H85-E126 PolarHBondContact ND1-OE1 2.97Å; H85-E126 IonicContact ND1-OE2 3.09Å; Y113-E126 HydrophobicContact CE2-CB 4.42Å; Y113-E126 HydrophobicContact CE2-CG 3.96Å

Retrieved 126 of 126 residues in 30.4 ms (Link to these results)

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