A0A5K4EFS8_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 A0A5K4EFS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

						>A0A5K4EFS8_SCHMA|A0A5K4EFS8
MILEYDVKPNHCHVGILFCSECNNMLYPKEDKRTKTLYYACRNCDYSQEADNPCVYINKLEQEVDELALIVPDVVHDPTLPRTEDHICRRCGKQEAVFFQSQTLKAEENMRLYYVCTNVECLHKWTE
					

Structure Viewer

Loading PAE data...

(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	32.1	Very low	38.9	Very low	231 Å²	231	159 Å²	159	100%	1.138	80%	0.797	S	S	*	*				0	102.8	0	-83.5	176.1	-68.5	0	0	107.1	L3	M1-L3 PolarHBondContact O-N 2.94Å
2	I	33.1	Very low	40.7	Very low	165 Å²	165	147.4 Å²	147.4	85%	0.846	74%	0.742	S	S	*	*			trans	-74.2	113.8	164.7	-55.6	172.9	0	0	0	103.2	E4	I2-E4 PolarHBondContact O-N 2.9Å
3	L	32.4	Very low	42.7	Very low	122 Å²	122	147.6 Å²	147.6	64%	0.639	74%	0.738	S	S	*	*			trans	-66.1	103	174.2	-71.3	167.2	0	0	0	106.1	M1 Y5	M1-L3 PolarHBondContact O-N 2.94Å; L3-Y5 HydrophobicContact CB-CD2 3.81Å; L3-Y5 HydrophobicContact CB-CE2 3.68Å; L3-Y5 HydrophobicContact CD1-CE2 3.91Å; L3-Y5 HydrophobicContact CG-CE2 4.43Å; L3-Y5 PolarHBondContact O-N 3.03Å
4	E	31.1	Very low	45.6	Very low	183 Å²	183	140.5 Å²	140.5	86%	0.855	71%	0.706	S	S	*	*			trans	-64.5	92.6	162	-71.5	-174.2	148.7	0	0	106.1	I2 D6	I2-E4 PolarHBondContact O-N 2.9Å; E4-D6 PolarHBondContact O-N 3.41Å; E4-D6 VanDerWaalsContact O-N 3.16Å
5	Y	37.6	Very low	48.4	Very low	187 Å²	187	133.6 Å²	133.6	73%	0.733	69%	0.685	S	S	*	*			trans	-70.2	107	167.2	-86.9	-94.1	0	0	0	106.7	L3 V7	L3-Y5 HydrophobicContact CB-CD2 3.81Å; L3-Y5 HydrophobicContact CB-CE2 3.68Å; L3-Y5 HydrophobicContact CD1-CE2 3.91Å; L3-Y5 HydrophobicContact CG-CE2 4.43Å; L3-Y5 PolarHBondContact O-N 3.03Å; Y5-V7 PolarHBondContact O-N 3.17Å
6	D	34.1	Very low	51.1	Low	163 Å²	163	132.6 Å²	132.6	87%	0.872	68%	0.68	S	S	*	*			trans	-57.8	87.8	165.9	-96.4	-52.9	0	0	0	109.3	E4 K8	E4-D6 PolarHBondContact O-N 3.41Å; E4-D6 VanDerWaalsContact O-N 3.16Å; D6-K8 VanDerWaalsContact C-N 3.35Å; D6-K8 PolarHBondContact O-N 3.27Å
7	V	45.4	Very low	53.7	Low	114 Å²	114	128.5 Å²	128.5	69%	0.691	66%	0.659	S	S	*	*			trans	-72.3	96.6	168.8	-179.2	0	0	0	0	106.2	Y5	Y5-V7 PolarHBondContact O-N 3.17Å
8	K	39.4	Very low	56	Low	164 Å²	164	127.6 Å²	127.6	71%	0.713	65%	0.65	S	S	*	*			trans	-48.6	133.6	172.6	-70.9	-167.3	177.7	-177.2	0	109.1	D6 N10	D6-K8 VanDerWaalsContact C-N 3.35Å; D6-K8 PolarHBondContact O-N 3.27Å; K8-N10 PolarHBondContact O-N 2.65Å
9	P	44.3	Very low	58.2	Low	128 Å²	128	121.1 Å²	121.1	83%	0.831	62%	0.617	S	S	*	*	S	Bend	trans	-70	10.3	-172.8	28.7	-34.9	0	0	0	114	H11	P9-H11 VanDerWaalsContact C-N 3.27Å; P9-H11 PolarHBondContact O-N 3.22Å
10	N	44.1	Very low	60.1	Low	135 Å²	135	118.8 Å²	118.8	72%	0.722	61%	0.612	S	S	*	*	S	Bend	trans	-76.8	82.9	176.5	-71.9	-10.8	0	0	0	109.5	K8 C12	K8-N10 PolarHBondContact O-N 2.65Å; N10-C12 PolarHBondContact O-N 3.21Å
11	H	53.9	Low	61.8	Low	157 Å²	157	120 Å²	120	73%	0.727	62%	0.615	S	S	*	*			trans	41.4	55.4	148.5	-111.9	70.8	0	0	0	114.6	P9 H13	P9-H11 VanDerWaalsContact C-N 3.27Å; P9-H11 PolarHBondContact O-N 3.22Å; H11-H13 PolarHBondContact O-N 2.64Å
12	C	60.4	Low	64.9	Low	20 Å²	20	111.4 Å²	111.4	14%	0.135	58%	0.577	C	S	.	*			trans	-65.6	97.2	161.2	175.5	0	0	0	0	106.3	N10 V14 C54 I57	N10-C12 PolarHBondContact O-N 3.21Å; C12-V14 VanDerWaalsContact SG-CG2 3.54Å; C12-C54 HydrophobicContact CB-CB 4.24Å; C12-C54 WeakPolarHBondContact CB-SG 3.29Å; C12-C54 WeakPolarHBondContact SG-CB 3.43Å; C12-C54 CovalentContact SG-SG 2.08Å; C12-C54 PolarHBondContact SG-SG 3.46Å; C12-I57 HydrophobicContact CB-CD1 3.32Å; C12-I57 WeakPolarHBondContact O-CD1 3.41Å; C12-I57 WeakPolarHBondContact SG-CD1 3.5Å
13	H	67.4	Low	67.9	Low	150 Å²	150	109.2 Å²	109.2	69%	0.694	57%	0.567	S	S	*	*			trans	-96.3	112.3	162.7	-179.2	-80.1	0	0	0	105.8	H11 G15	H11-H13 PolarHBondContact O-N 2.64Å; H13-G15 PolarHBondContact O-N 2.82Å
14	V	83.5	Confident	71	Confident	48 Å²	48	106.4 Å²	106.4	29%	0.291	55%	0.553	S	S	.	*			trans	-83.5	104.8	173.6	-172.9	0	0	0	0	107.3	C12 C54	C12-V14 VanDerWaalsContact SG-CG2 3.54Å; V14-C54 HydrophobicContact CG2-CB 4.4Å; V14-C54 WeakPolarHBondContact CG2-O 3.31Å
15	G	87.1	Confident	74.1	Confident	37 Å²	37	101.4 Å²	101.4	38%	0.381	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-78.5	152.7	174.2	0	0	0	0	0	111.9	H13 L17	H13-G15 PolarHBondContact O-N 2.82Å; G15-L17 PolarHBondContact O-N 3.42Å
16	I	92.2	Very high	77	Confident	118 Å²	118	93 Å²	93	61%	0.605	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-71.9	127.4	168.3	-59.4	172.6	0	0	0	107.9	F18 M25	I16-F18 HydrophobicContact CB-CE2 4.32Å; I16-F18 HydrophobicContact CG2-CD2 4.43Å; I16-F18 HydrophobicContact CG2-CE1 4.26Å; I16-F18 HydrophobicContact CG2-CE2 3.78Å; I16-F18 HydrophobicContact CG2-CZ 3.68Å; I16-M25 HydrophobicContact CG2-CG 4.02Å; I16-M25 HydrophobicContact CG2-SD 4.12Å
17	L	94	Very high	80	Confident	62 Å²	62	89 Å²	89	33%	0.325	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-103.8	141.6	177.1	-62.4	171.1	0	0	0	110.4	G15 L26 Y39	G15-L17 PolarHBondContact O-N 3.42Å; L17-L26 HydrophobicContact CB-CB 4.3Å; L17-L26 HydrophobicContact CB-CD1 4.05Å; L17-L26 HydrophobicContact CB-CG 4.48Å; L17-L26 PolarHBondContact O-N 3.42Å; L17-Y39 HydrophobicContact CD1-CD1 4.02Å; L17-Y39 HydrophobicContact CD1-CD2 3.39Å; L17-Y39 HydrophobicContact CD1-CE1 4.13Å; L17-Y39 HydrophobicContact CD1-CE2 3.5Å; L17-Y39 VanDerWaalsContact CD1-CE2 3.5Å; L17-Y39 HydrophobicContact CD1-CG 3.66Å
18	F	96.8	Very high	82.4	Confident	113 Å²	113	86.7 Å²	86.7	50%	0.496	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-117	146.1	-178.7	-66.6	-83	0	0	0	111	I16	I16-F18 HydrophobicContact CB-CE2 4.32Å; I16-F18 HydrophobicContact CG2-CD2 4.43Å; I16-F18 HydrophobicContact CG2-CE1 4.26Å; I16-F18 HydrophobicContact CG2-CE2 3.78Å; I16-F18 HydrophobicContact CG2-CZ 3.68Å
19	C	97.2	Very high	85	Confident	3 Å²	3	85.3 Å²	85.3	2%	0.02	45%	0.453	C	S	.	.			trans	-67.8	131.7	175.6	177.5	0	0	0	0	111.1	E21 C22 N23 N24 L26 C41 Y46	C19-E21 PolarHBondContact O-N 3.05Å; C19-E21 PolarHBondContact SG-N 3.15Å; C19-E21 VanDerWaalsContact SG-N 3.39Å; C19-C22 VanDerWaalsContact SG-SG 3.61Å; C19-N23 VanDerWaalsContact O-CA 3.24Å; C19-N23 WeakPolarHBondContact O-CA 3.34Å; C19-N23 PolarHBondContact O-N 3.18Å; C19-N24 WeakPolarHBondContact CB-O 3.5Å; C19-N24 PolarHBondContact N-O 3.19Å; C19-L26 HydrophobicContact CB-CD2 3.71Å; C19-L26 HydrophobicContact CB-CG 4.48Å; C19-C41 HydrophobicContact CB-CB 4.18Å; C19-Y46 HydrophobicContact CB-CD1 4.28Å; C19-Y46 VanDerWaalsContact SG-CB 3.54Å
20	S	95.9	Very high	87.5	Confident	75 Å²	75	84.8 Å²	84.8	52%	0.524	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.1	176.6	60	0	0	0	0	113.8	Y46	S20-Y46 WeakPolarHBondContact OG-CD2 3.37Å; S20-Y46 WeakPolarHBondContact OG-CE2 3.41Å
21	E	96.5	Very high	89.9	Confident	145 Å²	145	80.6 Å²	80.6	68%	0.678	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-40.4	-172.7	-55	-53.5	123.2	0	0	113.4	C19 Y46	C19-E21 PolarHBondContact O-N 3.05Å; C19-E21 PolarHBondContact SG-N 3.15Å; C19-E21 VanDerWaalsContact SG-N 3.39Å; E21-Y46 HydrophobicContact CG-CD2 4.12Å; E21-Y46 HydrophobicContact CG-CG 4.47Å
22	C	97.3	Very high	91.9	Very high	50 Å²	50	81.1 Å²	81.1	34%	0.338	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	2.7	-172.2	67.3	0	0	0	0	114.4	C19 N24 C41	C19-C22 VanDerWaalsContact SG-SG 3.61Å; C22-N24 PolarHBondContact O-N 2.98Å; C22-N24 PolarHBondContact SG-ND2 2.98Å; C22-C41 PolarHBondContact SG-SG 3.08Å
23	N	96.3	Very high	93.6	Very high	119 Å²	119	90.5 Å²	90.5	64%	0.636	45%	0.449	S	S	*	.			trans	55.1	22.8	178.4	-158.1	33.3	0	0	0	114.9	C19	C19-N23 VanDerWaalsContact O-CA 3.24Å; C19-N23 WeakPolarHBondContact O-CA 3.34Å; C19-N23 PolarHBondContact O-N 3.18Å
24	N	96.8	Very high	94.9	Very high	64 Å²	64	86.6 Å²	86.6	34%	0.342	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-85.7	154.3	171.2	-72.5	-49.6	0	0	0	110.8	C19 C22 L26	C19-N24 WeakPolarHBondContact CB-O 3.5Å; C19-N24 PolarHBondContact N-O 3.19Å; C22-N24 PolarHBondContact O-N 2.98Å; C22-N24 PolarHBondContact SG-ND2 2.98Å; N24-L26 PolarHBondContact O-N 2.89Å
25	M	96.7	Very high	95.4	Very high	78 Å²	78	92.8 Å²	92.8	38%	0.384	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-60.8	133.4	178.1	-173.4	169.4	74.3	0	0	111.4	I16 Y27	I16-M25 HydrophobicContact CG2-CG 4.02Å; I16-M25 HydrophobicContact CG2-SD 4.12Å; M25-Y27 HydrophobicContact CE-CD1 4.43Å; M25-Y27 HydrophobicContact CE-CE1 3.49Å; M25-Y27 VanDerWaalsContact CE-CE1 3.49Å; M25-Y27 HydrophobicContact CE-CE2 4.26Å; M25-Y27 VanDerWaalsContact CE-OH 3.22Å; M25-Y27 WeakPolarHBondContact CE-OH 3.46Å; M25-Y27 WeakPolarHBondContact O-CD2 3.35Å; M25-Y27 WeakPolarHBondContact O-CE2 3.4Å
26	L	97.2	Very high	95.8	Very high	10 Å²	10	92.8 Å²	92.8	5%	0.052	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-85	148.4	173.8	-59.3	179.2	0	0	0	111.2	L17 C19 N24 Y39 C41 Y46 Q48	L17-L26 HydrophobicContact CB-CB 4.3Å; L17-L26 HydrophobicContact CB-CD1 4.05Å; L17-L26 HydrophobicContact CB-CG 4.48Å; L17-L26 PolarHBondContact O-N 3.42Å; C19-L26 HydrophobicContact CB-CD2 3.71Å; C19-L26 HydrophobicContact CB-CG 4.48Å; N24-L26 PolarHBondContact O-N 2.89Å; L26-Y39 HydrophobicContact CB-CD1 4.47Å; L26-C41 HydrophobicContact CD2-CB 3.81Å; L26-Y46 HydrophobicContact CD1-CD1 4.44Å; L26-Y46 HydrophobicContact CD1-CE1 4.01Å; L26-Y46 HydrophobicContact CD2-CD1 3.91Å; L26-Y46 HydrophobicContact CD2-CE1 4.3Å; L26-Q48 HydrophobicContact CD1-CG 4.26Å
27	Y	96.8	Very high	95.9	Very high	80 Å²	80	89.1 Å²	89.1	31%	0.314	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143	179.6	-65.3	-91.3	0	0	0	111.3	M25 K29 Y39 A40 R42	M25-Y27 HydrophobicContact CE-CD1 4.43Å; M25-Y27 HydrophobicContact CE-CE1 3.49Å; M25-Y27 VanDerWaalsContact CE-CE1 3.49Å; M25-Y27 HydrophobicContact CE-CE2 4.26Å; M25-Y27 VanDerWaalsContact CE-OH 3.22Å; M25-Y27 WeakPolarHBondContact CE-OH 3.46Å; M25-Y27 WeakPolarHBondContact O-CD2 3.35Å; M25-Y27 WeakPolarHBondContact O-CE2 3.4Å; Y27-K29 PolarHBondContact O-N 2.89Å; Y27-Y39 CarbonylContact O-C 3.55Å; Y27-Y39 WeakPolarHBondContact O-CA 3.43Å; Y27-A40 PolarHBondContact N-O 2.9Å; Y27-A40 PolarHBondContact O-N 2.84Å; Y27-R42 HydrophobicContact CD2-CG 3.68Å; Y27-R42 VanDerWaalsContact CD2-NE 3.31Å; Y27-R42 VanDerWaalsContact CE2-CD 3.5Å; Y27-R42 HydrophobicContact CE2-CG 3.83Å; Y27-R42 VanDerWaalsContact CE2-NE 3.3Å
28	P	96.1	Very high	96.1	Very high	64 Å²	64	89.2 Å²	89.2	42%	0.416	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.1	175.5	29.3	-37.6	0	0	0	110.7	L37 Y38 Y39 V55	P28-L37 HydrophobicContact CB-CD1 3.95Å; P28-Y38 CarbonylContact C-O 3.49Å; P28-Y38 WeakPolarHBondContact CA-O 3.3Å; P28-Y39 HydrophobicContact CB-CE1 4.29Å; P28-V55 HydrophobicContact CB-CG1 3.8Å; P28-V55 HydrophobicContact CB-CG2 4.01Å; P28-V55 HydrophobicContact CG-CG1 3.56Å
29	K	95.5	Very high	96.1	Very high	136 Å²	136	85 Å²	85	59%	0.591	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	130	-178.8	-176.3	-179.7	177.7	-175.6	0	109.6	Y27 Y38 A40	Y27-K29 PolarHBondContact O-N 2.89Å; K29-Y38 PolarHBondContact N-O 3.17Å; K29-Y38 WeakPolarHBondContact O-CA 3.44Å; K29-Y38 PolarHBondContact O-N 2.98Å; K29-A40 HydrophobicContact CB-CB 4.28Å; K29-A40 HydrophobicContact CD-CB 3.96Å
30	E	96.2	Very high	96.1	Very high	117 Å²	117	85.4 Å²	85.4	55%	0.547	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.4	175	-174.7	-168.2	-178.6	0	0	110.8
31	D	95.2	Very high	96.2	Very high	47 Å²	47	82.5 Å²	82.5	25%	0.251	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	102.5	156.3	176.8	6.6	0	0	0	109.2	R33 T34 K35 T36 Y38	D31-R33 PolarHBondContact O-N 3.31Å; D31-R33 VanDerWaalsContact O-N 3.13Å; D31-R33 PolarHBondContact OD1-N 3.18Å; D31-T34 WeakPolarHBondContact CB-OG1 3.34Å; D31-T34 PolarHBondContact O-N 3.47Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.16Å; D31-T34 PolarHBondContact OD2-OG1 2.98Å; D31-K35 VanDerWaalsContact O-CA 3.27Å; D31-K35 WeakPolarHBondContact O-CA 3.41Å; D31-K35 PolarHBondContact O-N 3.43Å; D31-T36 PolarHBondContact N-O 3.46Å; D31-T36 PolarHBondContact O-N 3.07Å; D31-Y38 HydrophobicContact CB-CD2 4Å; D31-Y38 HydrophobicContact CB-CE2 3.87Å
32	K	94.7	Very high	96.2	Very high	168 Å²	168	84.2 Å²	84.2	73%	0.73	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.1	-175.7	-64.1	-177.9	178.5	-178	0	114.1
33	R	95.7	Very high	96.1	Very high	216 Å²	216	87.5 Å²	87.5	82%	0.815	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-44.8	-177.6	-176.9	179.5	60.6	-175.2	-2.5	111.1	D31	D31-R33 PolarHBondContact O-N 3.31Å; D31-R33 VanDerWaalsContact O-N 3.13Å; D31-R33 PolarHBondContact OD1-N 3.18Å
34	T	95.2	Very high	96.2	Very high	68 Å²	68	83.8 Å²	83.8	42%	0.417	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-16	-179.2	55.3	0	0	0	0	112.5	D31 T36	D31-T34 WeakPolarHBondContact CB-OG1 3.34Å; D31-T34 PolarHBondContact O-N 3.47Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.16Å; D31-T34 PolarHBondContact OD2-OG1 2.98Å; T34-T36 PolarHBondContact OG1-OG1 2.89Å
35	K	94.3	Very high	96.1	Very high	178 Å²	178	88.7 Å²	88.7	77%	0.774	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	36.2	-171.7	-58.1	-179.4	178	180	0	112.2	D31	D31-K35 VanDerWaalsContact O-CA 3.27Å; D31-K35 WeakPolarHBondContact O-CA 3.41Å; D31-K35 PolarHBondContact O-N 3.43Å
36	T	95.3	Very high	96.2	Very high	38 Å²	38	88 Å²	88	23%	0.233	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.6	-178.6	-56.8	0	0	0	0	110.4	D31 T34 Y38 E49	D31-T36 PolarHBondContact N-O 3.46Å; D31-T36 PolarHBondContact O-N 3.07Å; T34-T36 PolarHBondContact OG1-OG1 2.89Å; T36-Y38 HydrophobicContact CG2-CD2 4.31Å; T36-Y38 HydrophobicContact CG2-CE2 3.81Å; T36-E49 HydrophobicContact CG2-CG 3.71Å; T36-E49 VanDerWaalsContact CG2-OE1 3.24Å; T36-E49 WeakPolarHBondContact CG2-OE1 3.47Å
37	L	95.4	Very high	96.1	Very high	41 Å²	41	90.7 Å²	90.7	22%	0.215	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.9	175.3	177.5	65.7	0	0	0	110.3	P28 A50 V55	P28-L37 HydrophobicContact CB-CD1 3.95Å; L37-A50 HydrophobicContact CB-CB 3.97Å; L37-A50 HydrophobicContact CD2-CB 3.6Å; L37-A50 HydrophobicContact CG-CB 3.57Å; L37-A50 WeakPolarHBondContact O-CB 3.44Å; L37-A50 PolarHBondContact O-N 3.44Å; L37-V55 HydrophobicContact CD1-CG2 4.18Å; L37-V55 HydrophobicContact CD2-CG2 3.64Å
38	Y	96.4	Very high	96	Very high	64 Å²	64	89.7 Å²	89.7	25%	0.251	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.8	173.6	-76.3	-101.9	0	0	0	110.8	P28 K29 D31 T36 Q48 E49	P28-Y38 CarbonylContact C-O 3.49Å; P28-Y38 WeakPolarHBondContact CA-O 3.3Å; K29-Y38 PolarHBondContact N-O 3.17Å; K29-Y38 WeakPolarHBondContact O-CA 3.44Å; K29-Y38 PolarHBondContact O-N 2.98Å; D31-Y38 HydrophobicContact CB-CD2 4Å; D31-Y38 HydrophobicContact CB-CE2 3.87Å; T36-Y38 HydrophobicContact CG2-CD2 4.31Å; T36-Y38 HydrophobicContact CG2-CE2 3.81Å; Y38-Q48 CarbonylContact C-O 3.55Å; Y38-Q48 WeakPolarHBondContact CA-O 3.39Å; Y38-Q48 WeakPolarHBondContact CB-O 3.26Å; Y38-Q48 VanDerWaalsContact CD1-C 3.43Å; Y38-Q48 VanDerWaalsContact CD1-O 3.31Å; Y38-Q48 WeakPolarHBondContact CD1-O 3.33Å; Y38-E49 HydrophobicContact CD1-CB 4.32Å; Y38-E49 HydrophobicContact CE1-CB 3.99Å
39	Y	96.9	Very high	96	Very high	23 Å²	23	92.2 Å²	92.2	9%	0.09	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.7	165	-75.6	-74.1	0	0	0	109.1	L17 L26 Y27 P28 S47 Q48 A50	L17-Y39 HydrophobicContact CD1-CD1 4.02Å; L17-Y39 HydrophobicContact CD1-CD2 3.39Å; L17-Y39 HydrophobicContact CD1-CE1 4.13Å; L17-Y39 HydrophobicContact CD1-CE2 3.5Å; L17-Y39 VanDerWaalsContact CD1-CE2 3.5Å; L17-Y39 HydrophobicContact CD1-CG 3.66Å; L26-Y39 HydrophobicContact CB-CD1 4.47Å; Y27-Y39 CarbonylContact O-C 3.55Å; Y27-Y39 WeakPolarHBondContact O-CA 3.43Å; P28-Y39 HydrophobicContact CB-CE1 4.29Å; Y39-S47 CarbonylContact O-C 3.46Å; Y39-S47 VanDerWaalsContact O-CA 3.28Å; Y39-S47 WeakPolarHBondContact O-CA 3.46Å; Y39-Q48 PolarHBondContact N-O 2.93Å; Y39-Q48 PolarHBondContact O-N 3.03Å; Y39-A50 HydrophobicContact CD2-CB 3.72Å; Y39-A50 HydrophobicContact CE2-CB 3.5Å
40	A	97.1	Very high	95.9	Very high	13 Å²	13	86.6 Å²	86.6	11%	0.107	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.7	-174.7	0	0	0	0	0	112.2	Y27 K29	Y27-A40 PolarHBondContact N-O 2.9Å; Y27-A40 PolarHBondContact O-N 2.84Å; K29-A40 HydrophobicContact CB-CB 4.28Å; K29-A40 HydrophobicContact CD-CB 3.96Å
41	C	98	Very high	95.7	Very high	14 Å²	14	89.2 Å²	89.2	10%	0.095	43%	0.432	C	S	.	.			trans	-76.7	151	172.1	-166.5	0	0	0	0	110.6	C19 C22 L26 N43 Y46	C19-C41 HydrophobicContact CB-CB 4.18Å; C22-C41 PolarHBondContact SG-SG 3.08Å; L26-C41 HydrophobicContact CD2-CB 3.81Å; C41-N43 PolarHBondContact SG-N 3.32Å; C41-N43 VanDerWaalsContact SG-N 3.43Å; C41-Y46 PolarHBondContact N-O 2.85Å
42	R	96.5	Very high	95.5	Very high	180 Å²	180	90.1 Å²	90.1	68%	0.679	44%	0.437	S	S	*	.	S	Bend	trans	-91.7	-19.1	172.7	-67.9	-177	-176.2	-167.8	0.7	113.4	Y27	Y27-R42 HydrophobicContact CD2-CG 3.68Å; Y27-R42 VanDerWaalsContact CD2-NE 3.31Å; Y27-R42 VanDerWaalsContact CE2-CD 3.5Å; Y27-R42 HydrophobicContact CE2-CG 3.83Å; Y27-R42 VanDerWaalsContact CE2-NE 3.3Å
43	N	96.5	Very high	95.2	Very high	120 Å²	120	87.7 Å²	87.7	64%	0.642	44%	0.438	S	S	*	.	S	Bend	trans	-100.2	-18.4	-172.4	-65.5	80.4	0	0	0	113.1	C41	C41-N43 PolarHBondContact SG-N 3.32Å; C41-N43 VanDerWaalsContact SG-N 3.43Å
44	C	96.9	Very high	95	Very high	41 Å²	41	78.6 Å²	78.6	28%	0.277	41%	0.408	S	S	.	.	S	Bend	trans	-145.6	175.8	176.4	69.3	0	0	0	0	110.3	Y46	C44-Y46 PolarHBondContact O-N 3.3Å
45	D	96.3	Very high	94.9	Very high	167 Å²	167	78.3 Å²	78.3	89%	0.893	41%	0.406	S	S	*	.	S	Bend	trans	-82.7	8.4	-176.4	-62.6	-41.9	0	0	0	114.3	S47	D45-S47 PolarHBondContact O-N 2.82Å
46	Y	97.5	Very high	94.8	Very high	62 Å²	62	78 Å²	78	24%	0.243	40%	0.401	C	S	.	.			trans	-66	131.3	178.6	-178	-94.4	0	0	0	111.5	C19 S20 E21 L26 C41 C44 Q48	C19-Y46 HydrophobicContact CB-CD1 4.28Å; C19-Y46 VanDerWaalsContact SG-CB 3.54Å; S20-Y46 WeakPolarHBondContact OG-CD2 3.37Å; S20-Y46 WeakPolarHBondContact OG-CE2 3.41Å; E21-Y46 HydrophobicContact CG-CD2 4.12Å; E21-Y46 HydrophobicContact CG-CG 4.47Å; L26-Y46 HydrophobicContact CD1-CD1 4.44Å; L26-Y46 HydrophobicContact CD1-CE1 4.01Å; L26-Y46 HydrophobicContact CD2-CD1 3.91Å; L26-Y46 HydrophobicContact CD2-CE1 4.3Å; C41-Y46 PolarHBondContact N-O 2.85Å; C44-Y46 PolarHBondContact O-N 3.3Å; Y46-Q48 HydrophobicContact CE1-CB 4.45Å; Y46-Q48 HydrophobicContact CE1-CG 4.43Å; Y46-Q48 PolarHBondContact OH-OE1 3Å; Y46-Q48 VanDerWaalsContact OH-OE1 3.04Å
47	S	95.9	Very high	94.5	Very high	67 Å²	67	79.3 Å²	79.3	47%	0.469	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.5	171.9	64.6	0	0	0	0	111.3	Y39 D45	Y39-S47 CarbonylContact O-C 3.46Å; Y39-S47 VanDerWaalsContact O-CA 3.28Å; Y39-S47 WeakPolarHBondContact O-CA 3.46Å; D45-S47 PolarHBondContact O-N 2.82Å
48	Q	95.5	Very high	94.2	Very high	60 Å²	60	82.2 Å²	82.2	28%	0.28	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.2	175.9	65.5	-179.2	19.7	0	0	110.8	L26 Y38 Y39 Y46	L26-Q48 HydrophobicContact CD1-CG 4.26Å; Y38-Q48 CarbonylContact C-O 3.55Å; Y38-Q48 WeakPolarHBondContact CA-O 3.39Å; Y38-Q48 WeakPolarHBondContact CB-O 3.26Å; Y38-Q48 VanDerWaalsContact CD1-C 3.43Å; Y38-Q48 VanDerWaalsContact CD1-O 3.31Å; Y38-Q48 WeakPolarHBondContact CD1-O 3.33Å; Y39-Q48 PolarHBondContact N-O 2.93Å; Y39-Q48 PolarHBondContact O-N 3.03Å; Y46-Q48 HydrophobicContact CE1-CB 4.45Å; Y46-Q48 HydrophobicContact CE1-CG 4.43Å; Y46-Q48 PolarHBondContact OH-OE1 3Å; Y46-Q48 VanDerWaalsContact OH-OE1 3.04Å
49	E	95.7	Very high	93.5	Very high	116 Å²	116	84 Å²	84	54%	0.542	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146.4	174.5	-171.7	169.5	175.6	0	0	110.3	T36 Y38	T36-E49 HydrophobicContact CG2-CG 3.71Å; T36-E49 VanDerWaalsContact CG2-OE1 3.24Å; T36-E49 WeakPolarHBondContact CG2-OE1 3.47Å; Y38-E49 HydrophobicContact CD1-CB 4.32Å; Y38-E49 HydrophobicContact CE1-CB 3.99Å
50	A	93.7	Very high	92.8	Very high	19 Å²	19	90.3 Å²	90.3	16%	0.157	47%	0.465	C	S	.	.			trans	-86.4	124.7	179.9	0	0	0	0	0	111.8	L37 Y39 N52	L37-A50 HydrophobicContact CB-CB 3.97Å; L37-A50 HydrophobicContact CD2-CB 3.6Å; L37-A50 HydrophobicContact CG-CB 3.57Å; L37-A50 WeakPolarHBondContact O-CB 3.44Å; L37-A50 PolarHBondContact O-N 3.44Å; Y39-A50 HydrophobicContact CD2-CB 3.72Å; Y39-A50 HydrophobicContact CE2-CB 3.5Å; A50-N52 VanDerWaalsContact C-N 3.25Å; A50-N52 PolarHBondContact O-N 3.3Å
51	D	91.5	Very high	91.8	Very high	172 Å²	172	97.9 Å²	97.9	92%	0.92	50%	0.498	S	S	*	.	S	Bend	trans	-68.4	-24.7	175.4	-59.5	-43	0	0	0	113.2
52	N	89.6	Confident	90.5	Very high	66 Å²	66	103 Å²	103	35%	0.353	52%	0.521	S	S	.	.			trans	-129.9	129.9	-177.4	-173.2	-16.5	0	0	0	110.1	A50 C54	A50-N52 VanDerWaalsContact C-N 3.25Å; A50-N52 PolarHBondContact O-N 3.3Å; N52-C54 PolarHBondContact O-N 3.44Å; N52-C54 WeakPolarHBondContact OD1-CB 3.38Å; N52-C54 PolarHBondContact OD1-N 3.15Å
53	P	89.8	Confident	89.3	Confident	116 Å²	116	103.6 Å²	103.6	75%	0.753	53%	0.531	S	S	*	.	S	Bend	trans	-68.1	-13.7	176.6	28.3	-37.5	0	0	0	114.3	V55	P53-V55 PolarHBondContact O-N 3.13Å
54	C	91.2	Very high	88.1	Confident	26 Å²	26	101.2 Å²	101.2	18%	0.176	52%	0.521	C	S	.	.			trans	-75.5	107.6	-178.3	-177.9	0	0	0	0	111	C12 V14 N52 I57	C12-C54 HydrophobicContact CB-CB 4.24Å; C12-C54 WeakPolarHBondContact CB-SG 3.29Å; C12-C54 WeakPolarHBondContact SG-CB 3.43Å; C12-C54 CovalentContact SG-SG 2.08Å; C12-C54 PolarHBondContact SG-SG 3.46Å; V14-C54 HydrophobicContact CG2-CB 4.4Å; V14-C54 WeakPolarHBondContact CG2-O 3.31Å; N52-C54 PolarHBondContact O-N 3.44Å; N52-C54 WeakPolarHBondContact OD1-CB 3.38Å; N52-C54 PolarHBondContact OD1-N 3.15Å; C54-I57 WeakPolarHBondContact SG-CD1 3.09Å; C54-I57 VanDerWaalsContact SG-CG1 3.53Å
55	V	92.4	Very high	87.4	Confident	61 Å²	61	104.1 Å²	104.1	37%	0.37	53%	0.534	S	S	.	.			trans	-94	-28.9	-177.5	173.4	0	0	0	0	113.2	P28 L37 P53	P28-V55 HydrophobicContact CB-CG1 3.8Å; P28-V55 HydrophobicContact CB-CG2 4.01Å; P28-V55 HydrophobicContact CG-CG1 3.56Å; L37-V55 HydrophobicContact CD1-CG2 4.18Å; L37-V55 HydrophobicContact CD2-CG2 3.64Å; P53-V55 PolarHBondContact O-N 3.13Å
56	Y	92	Very high	86.8	Confident	172 Å²	172	97.8 Å²	97.8	68%	0.675	50%	0.499	S	S	*	.			trans	-152.1	138.2	-178.1	174.5	-104.1	0	0	0	110.2	N58	Y56-N58 HydrophobicContact CE1-CB 3.84Å; Y56-N58 WeakPolarHBondContact OH-CB 3.33Å
57	I	90	Very high	86.4	Confident	66 Å²	66	96.9 Å²	96.9	34%	0.338	50%	0.498	S	S	.	.			trans	-132.9	134.4	170	-73.3	179.7	0	0	0	108.4	C12 C54 K59	C12-I57 HydrophobicContact CB-CD1 3.32Å; C12-I57 WeakPolarHBondContact O-CD1 3.41Å; C12-I57 WeakPolarHBondContact SG-CD1 3.5Å; C54-I57 WeakPolarHBondContact SG-CD1 3.09Å; C54-I57 VanDerWaalsContact SG-CG1 3.53Å; I57-K59 HydrophobicContact CG2-CG 3.76Å
58	N	87.8	Confident	86	Confident	101 Å²	101	96.8 Å²	96.8	54%	0.54	50%	0.501	S	S	.	.			trans	-111.4	110.4	164.8	-171.1	11.1	0	0	0	109	Y56	Y56-N58 HydrophobicContact CE1-CB 3.84Å; Y56-N58 WeakPolarHBondContact OH-CB 3.33Å
59	K	82.9	Confident	85.6	Confident	101 Å²	101	99.5 Å²	99.5	44%	0.439	52%	0.517	S	S	.	.			trans	-90.5	108.6	171.9	-67	-172.9	-179.1	-180	0	108.2	I57 E61	I57-K59 HydrophobicContact CG2-CG 3.76Å; K59-E61 VanDerWaalsContact C-N 3.33Å
60	L	82.1	Confident	85.3	Confident	156 Å²	156	94.7 Å²	94.7	82%	0.817	50%	0.495	S	S	*	.	S	Bend	trans	-69.3	-35.9	177.8	-58.6	-179.9	0	0	0	111.5
61	E	76.2	Confident	85.3	Confident	172 Å²	172	97.9 Å²	97.9	80%	0.804	51%	0.512	S	S	*	.	S	Bend	trans	-112.9	109	172.5	-67.9	-179.9	-178.8	0	0	108.4	K59	K59-E61 VanDerWaalsContact C-N 3.33Å
62	Q	70.4	Confident	85.3	Confident	123 Å²	123	91.6 Å²	91.6	58%	0.575	48%	0.481	S	S	*	.			trans	-96.2	114.4	174	-164.4	168.1	-24.2	0	0	108.5	V64 K105	Q62-V64 HydrophobicContact CB-CG2 4.42Å; Q62-V64 HydrophobicContact CG-CG2 3.97Å; Q62-V64 PolarHBondContact O-N 2.88Å; Q62-K105 PolarHBondContact O-NZ 3.5Å
63	E	70.8	Confident	85.6	Confident	191 Å²	191	93.5 Å²	93.5	89%	0.893	49%	0.491	S	S	*	.			trans	-73.8	103.1	157.7	-73.6	-174.2	164.1	0	0	106.6
64	V	72.5	Confident	85.8	Confident	70 Å²	70	89.8 Å²	89.8	42%	0.424	47%	0.466	S	S	.	.			trans	-85.6	129.3	171.3	-178.5	0	0	0	0	106.4	Q62 E66 L69	Q62-V64 HydrophobicContact CB-CG2 4.42Å; Q62-V64 HydrophobicContact CG-CG2 3.97Å; Q62-V64 PolarHBondContact O-N 2.88Å; V64-E66 VanDerWaalsContact C-N 3.26Å; V64-E66 PolarHBondContact O-N 3.4Å; V64-L69 HydrophobicContact CG1-CD1 3.63Å; V64-L69 HydrophobicContact CG1-CG 4.14Å
65	D	81.5	Confident	86	Confident	103 Å²	103	89 Å²	89	55%	0.551	46%	0.46	S	S	*	.			trans	-69.2	91.2	166.9	-177.4	4.9	0	0	0	108.3	L67 A68	D65-L67 PolarHBondContact O-N 2.78Å; D65-L67 WeakPolarHBondContact OD1-CB 3.32Å; D65-L67 PolarHBondContact OD1-N 2.8Å; D65-A68 HydrophobicContact CB-CB 4.02Å; D65-A68 VanDerWaalsContact O-CB 3.28Å; D65-A68 WeakPolarHBondContact O-CB 3.26Å; D65-A68 PolarHBondContact O-N 3.37Å
66	E	83.2	Confident	86.1	Confident	33 Å²	33	92.1 Å²	92.1	15%	0.154	47%	0.471	C	S	.	.	H	α-helix	trans	-60.9	-29.4	-179	-67.3	-170.1	-147.9	0	0	111.8	V64 A68 L69 I70 S101 A106 Y113	V64-E66 VanDerWaalsContact C-N 3.26Å; V64-E66 PolarHBondContact O-N 3.4Å; E66-A68 PolarHBondContact O-N 3.16Å; E66-L69 PolarHBondContact O-N 2.82Å; E66-L69 VanDerWaalsContact O-N 3.11Å; E66-I70 PolarHBondContact O-N 3.36Å; E66-S101 WeakPolarHBondContact OE2-CB 3.36Å; E66-S101 PolarHBondContact OE2-OG 3.28Å; E66-A106 WeakPolarHBondContact OE2-CB 3.35Å; E66-Y113 HydrophobicContact CB-CE1 3.98Å; E66-Y113 WeakPolarHBondContact CB-OH 3.46Å; E66-Y113 VanDerWaalsContact OE2-CZ 3.25Å; E66-Y113 PolarHBondContact OE2-OH 2.83Å
67	L	88.7	Confident	86.3	Confident	43 Å²	43	86.7 Å²	86.7	23%	0.225	45%	0.454	C	S	.	.	H	α-helix	trans	-64.6	-32	174.7	-66.6	171	0	0	0	111.7	D65 L69 I70 Y113 K124 T126	D65-L67 PolarHBondContact O-N 2.78Å; D65-L67 WeakPolarHBondContact OD1-CB 3.32Å; D65-L67 PolarHBondContact OD1-N 2.8Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.12Å; L67-I70 HydrophobicContact CD2-CD1 4.17Å; L67-I70 PolarHBondContact O-N 2.96Å; L67-Y113 HydrophobicContact CD2-CD1 3.66Å; L67-Y113 HydrophobicContact CD2-CE1 4.11Å; L67-Y113 HydrophobicContact CG-CD1 4.44Å; L67-Y113 HydrophobicContact CG-CE1 4.42Å; L67-K124 HydrophobicContact CD2-CB 4.2Å; L67-K124 WeakPolarHBondContact O-CE 3.27Å; L67-K124 PolarHBondContact O-NZ 3.16Å; L67-T126 HydrophobicContact CD1-CG2 4.47Å
68	A	87.4	Confident	86.6	Confident	66 Å²	66	88.8 Å²	88.8	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-67.3	-31	175.9	0	0	0	0	0	112	D65 E66	D65-A68 HydrophobicContact CB-CB 4.02Å; D65-A68 VanDerWaalsContact O-CB 3.28Å; D65-A68 WeakPolarHBondContact O-CB 3.26Å; D65-A68 PolarHBondContact O-N 3.37Å; E66-A68 PolarHBondContact O-N 3.16Å
69	L	87.5	Confident	87	Confident	116 Å²	116	89.4 Å²	89.4	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-76.8	-20.2	178.8	-62.1	-177.9	0	0	0	113.7	V64 E66 L67 V71	V64-L69 HydrophobicContact CG1-CD1 3.63Å; V64-L69 HydrophobicContact CG1-CG 4.14Å; E66-L69 PolarHBondContact O-N 2.82Å; E66-L69 VanDerWaalsContact O-N 3.11Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.12Å; L69-V71 PolarHBondContact O-N 3.19Å
70	I	90.8	Very high	87.6	Confident	16 Å²	16	86.3 Å²	86.3	8%	0.082	47%	0.467	C	S	.	.			trans	-71.8	120.2	-179.7	-66.4	168.8	0	0	0	110.4	E66 L67 V74 F99 Y113 V115 K124	E66-I70 PolarHBondContact O-N 3.36Å; L67-I70 HydrophobicContact CD2-CD1 4.17Å; L67-I70 PolarHBondContact O-N 2.96Å; I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-F99 HydrophobicContact CB-CZ 4.4Å; I70-F99 HydrophobicContact CD1-CE2 4.08Å; I70-F99 HydrophobicContact CD1-CZ 3.76Å; I70-F99 HydrophobicContact CG1-CE2 4.1Å; I70-F99 HydrophobicContact CG1-CZ 3.83Å; I70-F99 HydrophobicContact CG2-CE1 4.43Å; I70-F99 HydrophobicContact CG2-CZ 3.71Å; I70-Y113 HydrophobicContact CD1-CD1 3.6Å; I70-Y113 HydrophobicContact CD1-CE1 4.45Å; I70-Y113 HydrophobicContact CD1-CG 3.66Å; I70-V115 HydrophobicContact CG2-CG2 3.78Å; I70-K124 HydrophobicContact CB-CD 3.86Å; I70-K124 HydrophobicContact CG2-CD 3.72Å; I70-K124 HydrophobicContact CG2-CG 4.42Å; I70-K124 WeakPolarHBondContact O-CD 3.5Å; I70-K124 PolarHBondContact O-NZ 3.39Å
71	V	92.8	Very high	88.3	Confident	86 Å²	86	81.8 Å²	81.8	52%	0.521	45%	0.447	S	S	.	.			trans	-78.1	126.4	171.9	-176.8	0	0	0	0	108.8	L69 D73 V74	L69-V71 PolarHBondContact O-N 3.19Å; V71-D73 HydrophobicContact CG1-CB 4.03Å; V71-D73 PolarHBondContact O-N 2.98Å; V71-V74 WeakPolarHBondContact O-CG1 3.41Å; V71-V74 VanDerWaalsContact O-CG2 3.31Å; V71-V74 WeakPolarHBondContact O-CG2 3.43Å; V71-V74 PolarHBondContact O-N 3.11Å
72	P	92.5	Very high	89.2	Confident	39 Å²	39	78.3 Å²	78.3	25%	0.253	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.4	-179.2	-27.1	36.2	0	0	0	115.3	V74 V75 L122	P72-V74 PolarHBondContact O-N 3Å; P72-V75 WeakPolarHBondContact O-CG1 3.38Å; P72-V75 WeakPolarHBondContact O-CG2 3.4Å; P72-V75 PolarHBondContact O-N 3.2Å; P72-L122 HydrophobicContact CB-CB 4.03Å; P72-L122 HydrophobicContact CB-CD1 3.85Å; P72-L122 HydrophobicContact CB-CD2 4.19Å; P72-L122 HydrophobicContact CB-CG 4.24Å
73	D	94.7	Very high	90.4	Very high	107 Å²	107	73.3 Å²	73.3	57%	0.572	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-62.3	-10.6	-177	-61.5	-20.3	0	0	0	113.9	V71 V75 H76	V71-D73 HydrophobicContact CG1-CB 4.03Å; V71-D73 PolarHBondContact O-N 2.98Å; D73-V75 PolarHBondContact O-N 2.84Å; D73-V75 VanDerWaalsContact O-N 3.08Å; D73-H76 WeakPolarHBondContact O-CB 3.21Å; D73-H76 PolarHBondContact O-N 3.48Å
74	V	94.4	Very high	91.6	Very high	37 Å²	37	70.7 Å²	70.7	22%	0.224	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-54.6	-23.6	170.5	-64.4	0	0	0	0	113.1	I70 V71 P72 H76 D77 L80 F99 V115	I70-V74 HydrophobicContact CG2-CG2 4.47Å; V71-V74 WeakPolarHBondContact O-CG1 3.41Å; V71-V74 VanDerWaalsContact O-CG2 3.31Å; V71-V74 WeakPolarHBondContact O-CG2 3.43Å; V71-V74 PolarHBondContact O-N 3.11Å; P72-V74 PolarHBondContact O-N 3Å; V74-H76 PolarHBondContact O-N 3.26Å; V74-H76 VanDerWaalsContact O-N 3.15Å; V74-D77 WeakPolarHBondContact O-CB 3.4Å; V74-D77 PolarHBondContact O-N 3.35Å; V74-L80 HydrophobicContact CB-CD1 3.9Å; V74-F99 HydrophobicContact CB-CE1 4.46Å; V74-F99 HydrophobicContact CG2-CE1 3.94Å; V74-V115 HydrophobicContact CG2-CB 4.2Å; V74-V115 HydrophobicContact CG2-CG1 4.39Å; V74-V115 HydrophobicContact CG2-CG2 3.8Å
75	V	95.5	Very high	92.6	Very high	10 Å²	10	74 Å²	74	6%	0.061	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.4	175	-61.4	0	0	0	0	113.2	P72 D73 R82 V115 L122	P72-V75 WeakPolarHBondContact O-CG1 3.38Å; P72-V75 WeakPolarHBondContact O-CG2 3.4Å; P72-V75 PolarHBondContact O-N 3.2Å; D73-V75 PolarHBondContact O-N 2.84Å; D73-V75 VanDerWaalsContact O-N 3.08Å; V75-R82 PolarHBondContact O-NH2 3.17Å; V75-V115 HydrophobicContact CG1-CB 4.12Å; V75-V115 HydrophobicContact CG1-CG1 3.59Å; V75-L122 HydrophobicContact CG1-CD2 4.07Å; V75-L122 HydrophobicContact CG2-CD2 3.95Å
76	H	95.5	Very high	93.1	Very high	126 Å²	126	71.1 Å²	71.1	58%	0.583	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-88.4	-6.7	178.8	-60.6	-54.8	0	0	0	113.5	D73 V74 P78	D73-H76 WeakPolarHBondContact O-CB 3.21Å; D73-H76 PolarHBondContact O-N 3.48Å; V74-H76 PolarHBondContact O-N 3.26Å; V74-H76 VanDerWaalsContact O-N 3.15Å; H76-P78 VanDerWaalsContact O-CD 3.29Å; H76-P78 WeakPolarHBondContact O-CD 3.28Å
77	D	95.6	Very high	93.6	Very high	59 Å²	59	73.8 Å²	73.8	32%	0.316	41%	0.405	S	S	.	.			trans	-72.5	117.3	175.2	-166.3	-29.7	0	0	0	109.7	V74 T79 L80 R82	V74-D77 WeakPolarHBondContact O-CB 3.4Å; V74-D77 PolarHBondContact O-N 3.35Å; D77-T79 PolarHBondContact O-N 2.9Å; D77-T79 WeakPolarHBondContact OD1-CA 3.41Å; D77-T79 WeakPolarHBondContact OD1-CB 3.38Å; D77-T79 PolarHBondContact OD1-N 2.58Å; D77-T79 PolarHBondContact OD1-OG1 3.06Å; D77-T79 PolarHBondContact OD2-OG1 3.41Å; D77-L80 HydrophobicContact CB-CB 4.41Å; D77-L80 HydrophobicContact CB-CD1 3.93Å; D77-L80 HydrophobicContact CB-CG 3.92Å; D77-R82 PolarHBondContact O-NH1 3.41Å; D77-R82 PolarHBondContact O-NH2 3.07Å
78	P	95.5	Very high	93.9	Very high	109 Å²	109	71.8 Å²	71.8	71%	0.708	40%	0.395	S	S	*	.	S	Bend	trans	-74.1	-15	178.5	31.2	-35.1	0	0	0	112.8	H76	H76-P78 VanDerWaalsContact O-CD 3.29Å; H76-P78 WeakPolarHBondContact O-CD 3.28Å
79	T	96.2	Very high	94.2	Very high	115 Å²	115	78.7 Å²	78.7	71%	0.706	41%	0.406	S	S	*	.	S	Bend	trans	-86.1	-19.9	-178	71.5	0	0	0	0	113	D77	D77-T79 PolarHBondContact O-N 2.9Å; D77-T79 WeakPolarHBondContact OD1-CA 3.41Å; D77-T79 WeakPolarHBondContact OD1-CB 3.38Å; D77-T79 PolarHBondContact OD1-N 2.58Å; D77-T79 PolarHBondContact OD1-OG1 3.06Å; D77-T79 PolarHBondContact OD2-OG1 3.41Å
80	L	96.1	Very high	94.6	Very high	36 Å²	36	81.5 Å²	81.5	19%	0.188	41%	0.409	C	S	.	.	S	Bend	trans	-77.2	138.8	177.1	-66.6	-179.1	0	0	0	111.3	V74 D77 R82 V97 F99	V74-L80 HydrophobicContact CB-CD1 3.9Å; D77-L80 HydrophobicContact CB-CB 4.41Å; D77-L80 HydrophobicContact CB-CD1 3.93Å; D77-L80 HydrophobicContact CB-CG 3.92Å; L80-R82 PolarHBondContact O-NH1 2.94Å; L80-V97 HydrophobicContact CB-CG1 3.62Å; L80-V97 HydrophobicContact CD1-CG1 3.69Å; L80-V97 HydrophobicContact CG-CG1 4.31Å; L80-F99 HydrophobicContact CD1-CD1 4.22Å; L80-F99 HydrophobicContact CD2-CB 4.17Å
81	P	96.4	Very high	94.9	Very high	60 Å²	60	83.3 Å²	83.3	39%	0.39	42%	0.422	S	S	.	.			trans	-71.1	152.3	179.3	32.3	-36.3	0	0	0	111.3	V97 F98	P81-V97 WeakPolarHBondContact O-CA 3.43Å; P81-F98 HydrophobicContact CB-CD1 4.31Å; P81-F98 HydrophobicContact CB-CE1 3.59Å; P81-F98 HydrophobicContact CB-CE2 4.28Å; P81-F98 HydrophobicContact CB-CZ 3.58Å; P81-F98 WeakPolarHBondContact CD-O 3.31Å; P81-F98 HydrophobicContact CG-CD1 4.1Å; P81-F98 HydrophobicContact CG-CD2 4.07Å; P81-F98 HydrophobicContact CG-CE1 3.73Å; P81-F98 HydrophobicContact CG-CE2 3.68Å; P81-F98 HydrophobicContact CG-CG 4.27Å; P81-F98 HydrophobicContact CG-CZ 3.51Å; P81-F98 WeakPolarHBondContact CG-O 3.22Å; P81-F98 PolarHBondContact O-N 3.18Å
82	R	96.3	Very high	95	Very high	100 Å²	100	81.5 Å²	81.5	38%	0.377	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.7	177	-70.5	167.4	-179.1	70.3	5.8	109.5	V75 D77 L80 A96 V97	V75-R82 PolarHBondContact O-NH2 3.17Å; D77-R82 PolarHBondContact O-NH1 3.41Å; D77-R82 PolarHBondContact O-NH2 3.07Å; L80-R82 PolarHBondContact O-NH1 2.94Å; R82-A96 CarbonylContact C-O 3.56Å; R82-A96 VanDerWaalsContact CA-O 3.3Å; R82-A96 WeakPolarHBondContact CA-O 3.22Å; R82-V97 HydrophobicContact CG-CG2 3.66Å
83	T	95.3	Very high	94.9	Very high	17 Å²	17	84.5 Å²	84.5	10%	0.104	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147	175	177.2	0	0	0	0	109.9	D85 H86 E95 A96 F98 Y114	T83-D85 WeakPolarHBondContact OG1-CB 3.24Å; T83-D85 PolarHBondContact OG1-N 3.49Å; T83-D85 VanDerWaalsContact OG1-N 3.07Å; T83-D85 PolarHBondContact OG1-OD2 3.32Å; T83-H86 HydrophobicContact CG2-CB 4.36Å; T83-E95 WeakPolarHBondContact O-CA 3.47Å; T83-A96 HydrophobicContact CG2-CB 4.28Å; T83-A96 PolarHBondContact N-O 3.39Å; T83-A96 PolarHBondContact O-N 2.95Å; T83-F98 HydrophobicContact CG2-CD1 3.81Å; T83-F98 HydrophobicContact CG2-CE1 4.26Å; T83-Y114 HydrophobicContact CG2-CD1 4.3Å; T83-Y114 HydrophobicContact CG2-CE1 4.14Å
84	E	95.1	Very high	94.8	Very high	136 Å²	136	84.7 Å²	84.7	64%	0.636	43%	0.428	S	S	*	.	S	Bend	trans	-102.7	-5.3	170.6	-67	-175.9	-176.6	0	0	112.7	Q94	E84-Q94 CarbonylContact C-O 3.6Å; E84-Q94 WeakPolarHBondContact CA-O 3.44Å
85	D	93.4	Very high	94.8	Very high	141 Å²	141	86 Å²	86	75%	0.754	43%	0.431	S	S	*	.	S	Bend	trans	-78.5	-24.2	-173.2	-58.2	-51.8	0	0	0	112.2	T83	T83-D85 WeakPolarHBondContact OG1-CB 3.24Å; T83-D85 PolarHBondContact OG1-N 3.49Å; T83-D85 VanDerWaalsContact OG1-N 3.07Å; T83-D85 PolarHBondContact OG1-OD2 3.32Å
86	H	91.9	Very high	94.8	Very high	42 Å²	42	85.5 Å²	85.5	19%	0.194	43%	0.428	C	S	.	.	S	Bend	trans	-105	96.3	-176.5	-64.9	-92.6	0	0	0	111.6	T83 C88 Y114 W125 E127	T83-H86 HydrophobicContact CG2-CB 4.36Å; H86-C88 PolarHBondContact O-N 3.3Å; H86-Y114 HydrophobicContact CB-CD1 4.32Å; H86-Y114 HydrophobicContact CB-CE1 4.32Å; H86-Y114 AromaticContact CD2-CE1 3.69Å; H86-Y114 AromaticContact CE1-CZ 3.91Å; H86-Y114 AromaticContact CG-CE1 3.82Å; H86-Y114 AromaticContact NE2-CZ 3.94Å; H86-Y114 PolarHBondContact NE2-OH 3.46Å; H86-W125 HydrophobicContact CB-CZ2 4.23Å; H86-E127 IonicContact CE1-OE1 3.12Å; H86-E127 IonicContact CE1-OE2 3.61Å; H86-E127 PolarHBondContact CE1-OE2 3.35Å; H86-E127 IonicContact ND1-OE1 3.36Å; H86-E127 PolarHBondContact ND1-OE1 3.03Å; H86-E127 IonicContact ND1-OE2 2.96Å; H86-E127 PolarHBondContact ND1-OE2 2.99Å
87	I	93.9	Very high	94.9	Very high	89 Å²	89	79.5 Å²	79.5	46%	0.456	40%	0.401	S	S	.	.			trans	-67.7	128.5	179.2	-52.9	-177.8	0	0	0	110.7	R89 G92 Q94	I87-R89 PolarHBondContact O-N 2.88Å; I87-R89 VanDerWaalsContact O-N 3.15Å; I87-G92 WeakPolarHBondContact CG2-O 3.41Å; I87-Q94 HydrophobicContact CD1-CG 4.21Å; I87-Q94 HydrophobicContact CG1-CG 3.73Å
88	C	96.3	Very high	94.9	Very high	1 Å²	1	79.2 Å²	79.2	1%	0.007	40%	0.397	C	S	.	.			trans	-62.4	117.8	174.9	-179.1	0	0	0	0	111.2	H86 R90 C91 G92 K93 C116 W125	H86-C88 PolarHBondContact O-N 3.3Å; C88-R90 PolarHBondContact O-N 2.96Å; C88-R90 VanDerWaalsContact O-N 3.13Å; C88-C91 VanDerWaalsContact SG-SG 3.68Å; C88-G92 VanDerWaalsContact O-CA 3.26Å; C88-G92 WeakPolarHBondContact O-CA 3Å; C88-G92 PolarHBondContact O-N 3.29Å; C88-K93 WeakPolarHBondContact CB-O 3.38Å; C88-K93 PolarHBondContact N-O 3.47Å; C88-C116 HydrophobicContact CB-CB 4.07Å; C88-W125 HydrophobicContact CB-CH2 4.12Å; C88-W125 HydrophobicContact CB-CZ3 4.32Å
89	R	93.6	Very high	94.8	Very high	211 Å²	211	75.8 Å²	75.8	80%	0.796	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.7	179.8	-59.2	-169.2	-173.7	-162.3	4.2	114.7	I87	I87-R89 PolarHBondContact O-N 2.88Å; I87-R89 VanDerWaalsContact O-N 3.15Å
90	R	95.3	Very high	94.5	Very high	175 Å²	175	75.1 Å²	75.1	66%	0.66	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-47.4	179.6	-177	-176.3	-82.8	-163.7	-8.2	112.8	C88 H123	C88-R90 PolarHBondContact O-N 2.96Å; C88-R90 VanDerWaalsContact O-N 3.13Å; R90-H123 HydrophobicContact CB-CB 3.95Å
91	C	96.7	Very high	93.9	Very high	53 Å²	53	74.3 Å²	74.3	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-8.7	-174.7	70.7	0	0	0	0	114.5	C88 K93 C116 C121	C88-C91 VanDerWaalsContact SG-SG 3.68Å; C91-K93 VanDerWaalsContact C-N 3.25Å; C91-K93 PolarHBondContact O-N 3.2Å; C91-C116 VanDerWaalsContact SG-SG 3.62Å; C91-C121 HydrophobicContact CB-CB 3.98Å
92	G	94.1	Very high	93.1	Very high	49 Å²	49	80.4 Å²	80.4	51%	0.505	38%	0.38	S	S	.	.			trans	75.8	2.1	-179.8	0	0	0	0	0	115.4	I87 C88	I87-G92 WeakPolarHBondContact CG2-O 3.41Å; C88-G92 VanDerWaalsContact O-CA 3.26Å; C88-G92 WeakPolarHBondContact O-CA 3Å; C88-G92 PolarHBondContact O-N 3.29Å
93	K	91.9	Very high	92.4	Very high	101 Å²	101	78.1 Å²	78.1	44%	0.439	38%	0.378	S	S	.	.			trans	-72.8	144.2	176.4	-156.2	175.9	-175.5	-171.6	0	110.5	C88 C91 N118	C88-K93 WeakPolarHBondContact CB-O 3.38Å; C88-K93 PolarHBondContact N-O 3.47Å; C91-K93 VanDerWaalsContact C-N 3.25Å; C91-K93 PolarHBondContact O-N 3.2Å; K93-N118 HydrophobicContact CD-CB 3.89Å
94	Q	91.3	Very high	91.4	Very high	112 Å²	112	84 Å²	84	52%	0.523	41%	0.407	S	S	.	.			trans	-82.9	-16.9	-172.5	-94.9	166.5	-29.2	0	0	115	E84 I87	E84-Q94 CarbonylContact C-O 3.6Å; E84-Q94 WeakPolarHBondContact CA-O 3.44Å; I87-Q94 HydrophobicContact CD1-CG 4.21Å; I87-Q94 HydrophobicContact CG1-CG 3.73Å
95	E	94.9	Very high	90.3	Very high	63 Å²	63	82.5 Å²	82.5	29%	0.294	40%	0.399	S	S	.	.			trans	-95.8	129.8	-172.7	-168.5	-168.1	-154.2	0	0	112.9	T83 T117	T83-E95 WeakPolarHBondContact O-CA 3.47Å; E95-T117 HydrophobicContact CB-CG2 4.33Å; E95-T117 WeakPolarHBondContact CB-OG1 3.37Å; E95-T117 HydrophobicContact CG-CG2 3.69Å; E95-T117 WeakPolarHBondContact CG-OG1 3.48Å; E95-T117 PolarHBondContact O-N 3.34Å; E95-T117 PolarHBondContact O-OG1 2.93Å; E95-T117 WeakPolarHBondContact OE2-CB 3.5Å; E95-T117 PolarHBondContact OE2-OG1 3.01Å
96	A	96.3	Very high	89	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.3	176.6	0	0	0	0	0	111.6	R82 T83 Y114 V115 W125	R82-A96 CarbonylContact C-O 3.56Å; R82-A96 VanDerWaalsContact CA-O 3.3Å; R82-A96 WeakPolarHBondContact CA-O 3.22Å; T83-A96 HydrophobicContact CG2-CB 4.28Å; T83-A96 PolarHBondContact N-O 3.39Å; T83-A96 PolarHBondContact O-N 2.95Å; A96-Y114 HydrophobicContact CB-CD1 4.4Å; A96-V115 CarbonylContact C-O 3.58Å; A96-V115 WeakPolarHBondContact CA-O 3.37Å; A96-W125 HydrophobicContact CB-CH2 3.72Å; A96-W125 HydrophobicContact CB-CZ2 3.97Å
97	V	96.4	Very high	87.9	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.8	163.9	165.9	0	0	0	0	108.6	L80 P81 R82 F99 Y114 V115 T117	L80-V97 HydrophobicContact CB-CG1 3.62Å; L80-V97 HydrophobicContact CD1-CG1 3.69Å; L80-V97 HydrophobicContact CG-CG1 4.31Å; P81-V97 WeakPolarHBondContact O-CA 3.43Å; R82-V97 HydrophobicContact CG-CG2 3.66Å; V97-F99 HydrophobicContact CG1-CD1 4.38Å; V97-Y114 CarbonylContact O-C 3.34Å; V97-Y114 WeakPolarHBondContact O-CA 3.41Å; V97-V115 PolarHBondContact N-O 3.3Å; V97-V115 PolarHBondContact O-N 3.29Å; V97-T117 HydrophobicContact CG2-CG2 4.08Å
98	F	95.3	Very high	86.9	Confident	54 Å²	54	82.3 Å²	82.3	24%	0.237	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.7	177.5	70.5	-84.6	0	0	0	113.8	P81 T83 L112 Y113 Y114	P81-F98 HydrophobicContact CB-CD1 4.31Å; P81-F98 HydrophobicContact CB-CE1 3.59Å; P81-F98 HydrophobicContact CB-CE2 4.28Å; P81-F98 HydrophobicContact CB-CZ 3.58Å; P81-F98 WeakPolarHBondContact CD-O 3.31Å; P81-F98 HydrophobicContact CG-CD1 4.1Å; P81-F98 HydrophobicContact CG-CD2 4.07Å; P81-F98 HydrophobicContact CG-CE1 3.73Å; P81-F98 HydrophobicContact CG-CE2 3.68Å; P81-F98 HydrophobicContact CG-CG 4.27Å; P81-F98 HydrophobicContact CG-CZ 3.51Å; P81-F98 WeakPolarHBondContact CG-O 3.22Å; P81-F98 PolarHBondContact O-N 3.18Å; T83-F98 HydrophobicContact CG2-CD1 3.81Å; T83-F98 HydrophobicContact CG2-CE1 4.26Å; F98-L112 HydrophobicContact CD2-CD1 4.17Å; F98-L112 HydrophobicContact CD2-CD2 4.12Å; F98-Y113 CarbonylContact C-O 3.57Å; F98-Y113 WeakPolarHBondContact CA-O 3.28Å; F98-Y113 WeakPolarHBondContact CB-O 3.44Å; F98-Y114 HydrophobicContact CB-CD1 3.54Å; F98-Y114 HydrophobicContact CB-CE1 3.61Å; F98-Y114 HydrophobicContact CB-CG 4.33Å; F98-Y114 HydrophobicContact CG-CD1 4.48Å; F98-Y114 HydrophobicContact CG-CE1 4.17Å
99	F	93.9	Very high	86.2	Confident	37 Å²	37	86.8 Å²	86.8	16%	0.162	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	165.1	-179.9	55.6	-86.5	0	0	0	111.8	I70 V74 L80 V97 Y113 V115	I70-F99 HydrophobicContact CB-CZ 4.4Å; I70-F99 HydrophobicContact CD1-CE2 4.08Å; I70-F99 HydrophobicContact CD1-CZ 3.76Å; I70-F99 HydrophobicContact CG1-CE2 4.1Å; I70-F99 HydrophobicContact CG1-CZ 3.83Å; I70-F99 HydrophobicContact CG2-CE1 4.43Å; I70-F99 HydrophobicContact CG2-CZ 3.71Å; V74-F99 HydrophobicContact CB-CE1 4.46Å; V74-F99 HydrophobicContact CG2-CE1 3.94Å; L80-F99 HydrophobicContact CD1-CD1 4.22Å; L80-F99 HydrophobicContact CD2-CB 4.17Å; V97-F99 HydrophobicContact CG1-CD1 4.38Å; F99-Y113 PolarHBondContact N-O 3.43Å; F99-Y113 PolarHBondContact O-N 2.92Å; F99-V115 HydrophobicContact CE1-CG2 4Å; F99-V115 HydrophobicContact CZ-CG2 4.48Å
100	Q	90.3	Very high	85.8	Confident	100 Å²	100	83.4 Å²	83.4	47%	0.467	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142.4	168.4	-68	-177.9	-26	0	0	109.9	L112	Q100-L112 HydrophobicContact CG-CD2 3.65Å
101	S	83.3	Confident	85.4	Confident	20 Å²	20	81.2 Å²	81.2	14%	0.14	40%	0.402	C	S	.	.			trans	-70.9	141.2	176.8	157.5	0	0	0	0	110.1	E66 T103 A106	E66-S101 WeakPolarHBondContact OE2-CB 3.36Å; E66-S101 PolarHBondContact OE2-OG 3.28Å; S101-T103 PolarHBondContact O-N 2.91Å; S101-T103 PolarHBondContact OG-N 2.87Å; S101-T103 PolarHBondContact OG-OG1 3.47Å; S101-A106 WeakPolarHBondContact OG-CB 3.31Å
102	Q	79.9	Confident	85.2	Confident	188 Å²	188	81.1 Å²	81.1	88%	0.879	40%	0.398	S	S	*	.	S	Bend	trans	-79.1	11.8	179.2	-60.4	-176.3	26.2	0	0	112.8
103	T	80.8	Confident	85.1	Confident	52 Å²	52	79.2 Å²	79.2	32%	0.319	38%	0.376	S	S	.	.	S	Bend	trans	-88.2	141.7	177	67.4	0	0	0	0	110.1	S101 K105 A106 E107	S101-T103 PolarHBondContact O-N 2.91Å; S101-T103 PolarHBondContact OG-N 2.87Å; S101-T103 PolarHBondContact OG-OG1 3.47Å; T103-K105 PolarHBondContact O-N 3.5Å; T103-K105 VanDerWaalsContact O-N 3.17Å; T103-A106 PolarHBondContact O-N 3.04Å; T103-A106 WeakPolarHBondContact OG1-CB 3.19Å; T103-A106 PolarHBondContact OG1-N 3.43Å; T103-E107 PolarHBondContact O-N 3.31Å
104	L	75.3	Confident	85.3	Confident	139 Å²	139	75.1 Å²	75.1	73%	0.728	36%	0.358	S	S	*	.	H	α-helix	trans	-51.4	-41.1	178.4	-77	157.7	0	0	0	112.5	A106 E107 E108	L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 2.82Å; L104-E107 PolarHBondContact O-N 2.95Å; L104-E108 WeakPolarHBondContact O-CG 2.97Å; L104-E108 PolarHBondContact O-N 2.9Å
105	K	70.8	Confident	85.5	Confident	106 Å²	106	69.8 Å²	69.8	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-35.5	177.5	-85.3	-171.2	173.8	-172.6	0	113.3	Q62 T103 N109	Q62-K105 PolarHBondContact O-NZ 3.5Å; T103-K105 PolarHBondContact O-N 3.5Å; T103-K105 VanDerWaalsContact O-N 3.17Å; K105-N109 PolarHBondContact O-ND2 2.86Å
106	A	66.9	Low	85.6	Confident	2 Å²	2	66.8 Å²	66.8	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-78.5	-36.3	179.9	0	0	0	0	0	112.3	E66 S101 T103 L104 E108 N109 M110 Y113	E66-A106 WeakPolarHBondContact OE2-CB 3.35Å; S101-A106 WeakPolarHBondContact OG-CB 3.31Å; T103-A106 PolarHBondContact O-N 3.04Å; T103-A106 WeakPolarHBondContact OG1-CB 3.19Å; T103-A106 PolarHBondContact OG1-N 3.43Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 2.82Å; A106-E108 VanDerWaalsContact C-N 3.31Å; A106-E108 PolarHBondContact O-N 2.77Å; A106-N109 PolarHBondContact O-N 2.92Å; A106-M110 PolarHBondContact O-N 3.37Å; A106-Y113 HydrophobicContact CB-CE2 4.42Å
107	E	68.5	Low	85.6	Confident	113 Å²	113	67.7 Å²	67.7	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-42.4	174.4	-71.6	-174.8	166.1	0	0	111.3	T103 L104 N109 M110	T103-E107 PolarHBondContact O-N 3.31Å; L104-E107 PolarHBondContact O-N 2.95Å; E107-N109 VanDerWaalsContact C-N 3.25Å; E107-N109 PolarHBondContact O-N 2.08Å; E107-M110 PolarHBondContact O-N 2.89Å
108	E	73.7	Confident	85.6	Confident	153 Å²	153	69.6 Å²	69.6	72%	0.715	34%	0.335	S	S	*	.	H	α-helix	trans	-60.2	-34.5	176.7	-73.8	176.4	170.7	0	0	113	L104 A106	L104-E108 WeakPolarHBondContact O-CG 2.97Å; L104-E108 PolarHBondContact O-N 2.9Å; A106-E108 VanDerWaalsContact C-N 3.31Å; A106-E108 PolarHBondContact O-N 2.77Å
109	N	81.4	Confident	85.5	Confident	95 Å²	95	71.4 Å²	71.4	51%	0.508	35%	0.35	S	S	.	.	H	α-helix	trans	-95.4	-7.1	-177	-67.7	-56.9	0	0	0	113.8	K105 A106 E107 R111	K105-N109 PolarHBondContact O-ND2 2.86Å; A106-N109 PolarHBondContact O-N 2.92Å; E107-N109 VanDerWaalsContact C-N 3.25Å; E107-N109 PolarHBondContact O-N 2.08Å; N109-R111 HydrophobicContact CB-CG 3.99Å; N109-R111 PolarHBondContact O-N 2.99Å
110	M	84.2	Confident	85.5	Confident	139 Å²	139	78.6 Å²	78.6	69%	0.685	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	32.1	-175.7	-66.2	-178.7	-79.7	0	0	114.1	A106 E107	A106-M110 PolarHBondContact O-N 3.37Å; E107-M110 PolarHBondContact O-N 2.89Å
111	R	87.8	Confident	85.7	Confident	129 Å²	129	74.6 Å²	74.6	49%	0.487	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-71.7	140.5	-177.7	-77.7	-178.7	179	169.8	0.6	111.7	N109	N109-R111 HydrophobicContact CB-CG 3.99Å; N109-R111 PolarHBondContact O-N 2.99Å
112	L	91.8	Very high	86.3	Confident	52 Å²	52	75.8 Å²	75.8	27%	0.272	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.1	174.4	-68	179.9	0	0	0	110.7	F98 Q100 Y114 T126	F98-L112 HydrophobicContact CD2-CD1 4.17Å; F98-L112 HydrophobicContact CD2-CD2 4.12Å; Q100-L112 HydrophobicContact CG-CD2 3.65Å; L112-Y114 HydrophobicContact CB-CE2 3.93Å; L112-T126 PolarHBondContact O-OG1 2.87Å
113	Y	93.5	Very high	87.1	Confident	9 Å²	9	69.1 Å²	69.1	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.4	172.3	-65.3	-80.2	0	0	0	109.6	E66 L67 I70 F98 F99 A106	E66-Y113 HydrophobicContact CB-CE1 3.98Å; E66-Y113 WeakPolarHBondContact CB-OH 3.46Å; E66-Y113 VanDerWaalsContact OE2-CZ 3.25Å; E66-Y113 PolarHBondContact OE2-OH 2.83Å; L67-Y113 HydrophobicContact CD2-CD1 3.66Å; L67-Y113 HydrophobicContact CD2-CE1 4.11Å; L67-Y113 HydrophobicContact CG-CD1 4.44Å; L67-Y113 HydrophobicContact CG-CE1 4.42Å; I70-Y113 HydrophobicContact CD1-CD1 3.6Å; I70-Y113 HydrophobicContact CD1-CE1 4.45Å; I70-Y113 HydrophobicContact CD1-CG 3.66Å; F98-Y113 CarbonylContact C-O 3.57Å; F98-Y113 WeakPolarHBondContact CA-O 3.28Å; F98-Y113 WeakPolarHBondContact CB-O 3.44Å; F99-Y113 PolarHBondContact N-O 3.43Å; F99-Y113 PolarHBondContact O-N 2.92Å; A106-Y113 HydrophobicContact CB-CE2 4.42Å
114	Y	95.3	Very high	87.8	Confident	14 Å²	14	69.2 Å²	69.2	6%	0.055	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.3	-178.7	-60.5	-88.9	0	0	0	110.5	T83 H86 A96 V97 F98 L112 K124 W125 E127	T83-Y114 HydrophobicContact CG2-CD1 4.3Å; T83-Y114 HydrophobicContact CG2-CE1 4.14Å; H86-Y114 HydrophobicContact CB-CD1 4.32Å; H86-Y114 HydrophobicContact CB-CE1 4.32Å; H86-Y114 AromaticContact CD2-CE1 3.69Å; H86-Y114 AromaticContact CE1-CZ 3.91Å; H86-Y114 AromaticContact CG-CE1 3.82Å; H86-Y114 AromaticContact NE2-CZ 3.94Å; H86-Y114 PolarHBondContact NE2-OH 3.46Å; A96-Y114 HydrophobicContact CB-CD1 4.4Å; V97-Y114 CarbonylContact O-C 3.34Å; V97-Y114 WeakPolarHBondContact O-CA 3.41Å; F98-Y114 HydrophobicContact CB-CD1 3.54Å; F98-Y114 HydrophobicContact CB-CE1 3.61Å; F98-Y114 HydrophobicContact CB-CG 4.33Å; F98-Y114 HydrophobicContact CG-CD1 4.48Å; F98-Y114 HydrophobicContact CG-CE1 4.17Å; L112-Y114 HydrophobicContact CB-CE2 3.93Å; Y114-K124 VanDerWaalsContact O-CA 3.32Å; Y114-K124 WeakPolarHBondContact O-CA 3.24Å; Y114-W125 AromaticContact CD2-CD1 3.93Å; Y114-W125 AromaticContact CD2-NE1 3.65Å; Y114-W125 AromaticContact CG-CE2 3.9Å; Y114-W125 HydrophobicContact CG-CZ2 4.16Å; Y114-W125 AromaticContact CG-NE1 3.68Å; Y114-W125 PolarHBondContact N-O 2.91Å; Y114-W125 PolarHBondContact O-N 2.74Å; Y114-E127 HydrophobicContact CE2-CB 4.3Å; Y114-E127 HydrophobicContact CE2-CG 4.31Å
115	V	96.2	Very high	88.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.9	174	-171.4	0	0	0	0	109	I70 V74 V75 A96 V97 F99 T117 H123 K124	I70-V115 HydrophobicContact CG2-CG2 3.78Å; V74-V115 HydrophobicContact CG2-CB 4.2Å; V74-V115 HydrophobicContact CG2-CG1 4.39Å; V74-V115 HydrophobicContact CG2-CG2 3.8Å; V75-V115 HydrophobicContact CG1-CB 4.12Å; V75-V115 HydrophobicContact CG1-CG1 3.59Å; A96-V115 CarbonylContact C-O 3.58Å; A96-V115 WeakPolarHBondContact CA-O 3.37Å; V97-V115 PolarHBondContact N-O 3.3Å; V97-V115 PolarHBondContact O-N 3.29Å; F99-V115 HydrophobicContact CE1-CG2 4Å; F99-V115 HydrophobicContact CZ-CG2 4.48Å; V115-T117 PolarHBondContact O-N 3.25Å; V115-H123 WeakPolarHBondContact CA-O 3.39Å; V115-K124 HydrophobicContact CG1-CG 4.25Å; V115-K124 HydrophobicContact CG2-CG 4.17Å
116	C	97	Very high	89.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.2	178.5	-177.9	0	0	0	0	110.8	C88 C91 N118 H123 W125	C88-C116 HydrophobicContact CB-CB 4.07Å; C91-C116 VanDerWaalsContact SG-SG 3.62Å; C116-N118 PolarHBondContact O-N 2.8Å; C116-N118 PolarHBondContact SG-N 2.92Å; C116-H123 PolarHBondContact N-O 2.8Å; C116-W125 HydrophobicContact CB-CH2 4.32Å; C116-W125 HydrophobicContact CB-CZ3 3.93Å
117	T	96.4	Very high	90.3	Very high	20 Å²	20	67.8 Å²	67.8	12%	0.123	33%	0.33	C	S	.	.	S	Bend	trans	-74.7	-10.3	-179.9	63.3	0	0	0	0	113.9	E95 V97 V115 V119	E95-T117 HydrophobicContact CB-CG2 4.33Å; E95-T117 WeakPolarHBondContact CB-OG1 3.37Å; E95-T117 HydrophobicContact CG-CG2 3.69Å; E95-T117 WeakPolarHBondContact CG-OG1 3.48Å; E95-T117 PolarHBondContact O-N 3.34Å; E95-T117 PolarHBondContact O-OG1 2.93Å; E95-T117 WeakPolarHBondContact OE2-CB 3.5Å; E95-T117 PolarHBondContact OE2-OG1 3.01Å; V97-T117 HydrophobicContact CG2-CG2 4.08Å; V115-T117 PolarHBondContact O-N 3.25Å; T117-V119 PolarHBondContact O-N 2.7Å
118	N	95.1	Very high	91.3	Very high	39 Å²	39	65.6 Å²	65.6	21%	0.209	32%	0.32	C	S	.	.			trans	-69.9	113.1	174	-176.3	10.6	0	0	0	110	K93 C116 E120 C121 L122	K93-N118 HydrophobicContact CD-CB 3.89Å; C116-N118 PolarHBondContact O-N 2.8Å; C116-N118 PolarHBondContact SG-N 2.92Å; N118-E120 PolarHBondContact O-N 3.4Å; N118-E120 PolarHBondContact OD1-N 3.45Å; N118-C121 HydrophobicContact CB-CB 3.87Å; N118-C121 WeakPolarHBondContact O-CA 3Å; N118-C121 WeakPolarHBondContact O-CB 3.24Å; N118-C121 PolarHBondContact O-N 2.77Å; N118-L122 PolarHBondContact O-N 3.13Å
119	V	92.7	Very high	92.3	Very high	93 Å²	93	60.9 Å²	60.9	56%	0.564	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.1	-179.3	-175.3	0	0	0	0	112.4	T117 C121	T117-V119 PolarHBondContact O-N 2.7Å; V119-C121 VanDerWaalsContact C-N 3.27Å; V119-C121 PolarHBondContact O-N 3.06Å
120	E	94.6	Very high	92.9	Very high	188 Å²	188	59.1 Å²	59.1	88%	0.879	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.3	174.8	-62.1	-175.5	169.6	0	0	113.3	N118	N118-E120 PolarHBondContact O-N 3.4Å; N118-E120 PolarHBondContact OD1-N 3.45Å
121	C	95.6	Very high	93.4	Very high	15 Å²	15	54.4 Å²	54.4	10%	0.101	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-62.3	-175.8	-177.6	0	0	0	0	112.6	C91 N118 V119 H123	C91-C121 HydrophobicContact CB-CB 3.98Å; N118-C121 HydrophobicContact CB-CB 3.87Å; N118-C121 WeakPolarHBondContact O-CA 3Å; N118-C121 WeakPolarHBondContact O-CB 3.24Å; N118-C121 PolarHBondContact O-N 2.77Å; V119-C121 VanDerWaalsContact C-N 3.27Å; V119-C121 PolarHBondContact O-N 3.06Å; C121-H123 PolarHBondContact O-N 3.34Å
122	L	96	Very high	93.7	Very high	45 Å²	45	49.7 Å²	49.7	24%	0.236	25%	0.251	C	S	.	.			trans	48.3	29.8	-179.2	-63.3	174.8	0	0	0	114.5	P72 V75 N118	P72-L122 HydrophobicContact CB-CB 4.03Å; P72-L122 HydrophobicContact CB-CD1 3.85Å; P72-L122 HydrophobicContact CB-CD2 4.19Å; P72-L122 HydrophobicContact CB-CG 4.24Å; V75-L122 HydrophobicContact CG1-CD2 4.07Å; V75-L122 HydrophobicContact CG2-CD2 3.95Å; N118-L122 PolarHBondContact O-N 3.13Å
123	H	96	Very high	93.9	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.227	25%	0.249	C	C	.	.			trans	-65.2	139.5	178.9	-175	52.5	0	0	0	110.3	R90 V115 C116 C121 W125	R90-H123 HydrophobicContact CB-CB 3.95Å; V115-H123 WeakPolarHBondContact CA-O 3.39Å; C116-H123 PolarHBondContact N-O 2.8Å; C121-H123 PolarHBondContact O-N 3.34Å; H123-W125 AromaticContact CD2-CE3 3.69Å; H123-W125 VanDerWaalsContact O-CZ3 3.26Å; H123-W125 WeakPolarHBondContact O-CZ3 3.35Å
124	K	95	Very high	93.9	Very high	53 Å²	53	52.4 Å²	52.4	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.4	-178.5	-56.8	178.2	-80	173.3	0	108.9	L67 I70 Y114 V115	L67-K124 HydrophobicContact CD2-CB 4.2Å; L67-K124 WeakPolarHBondContact O-CE 3.27Å; L67-K124 PolarHBondContact O-NZ 3.16Å; I70-K124 HydrophobicContact CB-CD 3.86Å; I70-K124 HydrophobicContact CG2-CD 3.72Å; I70-K124 HydrophobicContact CG2-CG 4.42Å; I70-K124 WeakPolarHBondContact O-CD 3.5Å; I70-K124 PolarHBondContact O-NZ 3.39Å; Y114-K124 VanDerWaalsContact O-CA 3.32Å; Y114-K124 WeakPolarHBondContact O-CA 3.24Å; V115-K124 HydrophobicContact CG1-CG 4.25Å; V115-K124 HydrophobicContact CG2-CG 4.17Å
125	W	94	Very high	93.8	Very high	19 Å²	19	55.4 Å²	55.4	7%	0.072	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	167.6	176.2	69.3	97.2	0	0	0	111.3	H86 C88 A96 Y114 C116 H123	H86-W125 HydrophobicContact CB-CZ2 4.23Å; C88-W125 HydrophobicContact CB-CH2 4.12Å; C88-W125 HydrophobicContact CB-CZ3 4.32Å; A96-W125 HydrophobicContact CB-CH2 3.72Å; A96-W125 HydrophobicContact CB-CZ2 3.97Å; Y114-W125 AromaticContact CD2-CD1 3.93Å; Y114-W125 AromaticContact CD2-NE1 3.65Å; Y114-W125 AromaticContact CG-CE2 3.9Å; Y114-W125 HydrophobicContact CG-CZ2 4.16Å; Y114-W125 AromaticContact CG-NE1 3.68Å; Y114-W125 PolarHBondContact N-O 2.91Å; Y114-W125 PolarHBondContact O-N 2.74Å; C116-W125 HydrophobicContact CB-CH2 4.32Å; C116-W125 HydrophobicContact CB-CZ3 3.93Å; H123-W125 AromaticContact CD2-CE3 3.69Å; H123-W125 VanDerWaalsContact O-CZ3 3.26Å; H123-W125 WeakPolarHBondContact O-CZ3 3.35Å
126	T	90.4	Very high	93.6	Very high	53 Å²	53	60 Å²	60	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.1	172.6	-175.6	0	0	0	0	107.9	L67 L112	L67-T126 HydrophobicContact CD1-CG2 4.47Å; L112-T126 PolarHBondContact O-OG1 2.87Å
127	E	80.3	Confident	93.3	Very high	146 Å²	146	65.5 Å²	65.5	68%	0.682	33%	0.332	S	S	*	.			trans	-111	0	163.9	-70.5	-176.7	-173.3	0	0	110.8	H86 Y114	H86-E127 IonicContact CE1-OE1 3.12Å; H86-E127 IonicContact CE1-OE2 3.61Å; H86-E127 PolarHBondContact CE1-OE2 3.35Å; H86-E127 IonicContact ND1-OE1 3.36Å; H86-E127 PolarHBondContact ND1-OE1 3.03Å; H86-E127 IonicContact ND1-OE2 2.96Å; H86-E127 PolarHBondContact ND1-OE2 2.99Å; Y114-E127 HydrophobicContact CE2-CB 4.3Å; Y114-E127 HydrophobicContact CE2-CG 4.31Å

Retrieved 127 of 127 residues in 34.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).