A0A096LSG7_POEFO Loading...

dihydrofolate reductase

AlphaFold DB , UniProt , Accession A0A096LSG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 127 aa.

						>A0A096LSG7_POEFO|A0A096LSG7
MSCWREMLAVSSFEKRRTTFSMSRILNGIVAVCPNLGIGKDGKLPWHPIRLSNEFAHFRKMTATPSVAGRTNVVIMGRKTWFSIPEKNRPLKGRINIVLSREYKYDAHKHTMHVTHRSGTALQHLFQ
					

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	38.8	Very low	33.4	Very low	238 Å²	238	119.1 Å²	119.1	100%	1.172	62%	0.623	S	S	*	*				0	92.2	0	-66.3	-176.7	-70.9	0	0	109.3
2	S	26.6	Very low	33.4	Very low	104 Å²	104	113.8 Å²	113.8	73%	0.727	60%	0.603	S	S	*	*			trans	-155.3	79.5	174.3	-45.5	0	0	0	0	109.1	W4	S2-W4 PolarHBondContact O-N 3.18Å
3	C	33.4	Very low	33.6	Very low	132 Å²	132	118.6 Å²	118.6	89%	0.892	62%	0.616	S	S	*	*			trans	-74.3	95.6	176.2	-172	0	0	0	0	108.4	R5	C3-R5 PolarHBondContact O-N 3.47Å
4	W	21.2	Very low	34.1	Very low	192 Å²	192	120.1 Å²	120.1	73%	0.727	62%	0.619	S	S	*	*			trans	-82.5	114.2	174.6	-82.3	89.3	0	0	0	110.1	S2 R101	S2-W4 PolarHBondContact O-N 3.18Å; W4-R101 VanDerWaalsContact CE3-NH2 3.35Å
5	R	40.8	Very low	34.8	Very low	181 Å²	181	123.5 Å²	123.5	68%	0.683	63%	0.627	S	S	*	*			trans	-51.1	152.9	171.3	-87.1	171.8	164.6	-123.7	7.3	115.4	C3 R101	C3-R5 PolarHBondContact O-N 3.47Å; R5-R101 PolarHBondContact O-NH2 3.49Å
6	E	43.3	Very low	35	Very low	126 Å²	126	129.3 Å²	129.3	59%	0.589	64%	0.639	S	S	*	*			trans	73.9	134.6	146.5	-73.5	150.3	-154.2	0	0	119
7	M	27.9	Very low	36.1	Very low	61 Å²	61	135.9 Å²	135.9	30%	0.3	66%	0.655	S	S	.	*			trans	-162.8	111.6	138.2	-105.8	173	71.5	0	0	114.1	M76 G77 R78 L99	M7-M76 WeakPolarHBondContact CE-O 3.5Å; M7-G77 VanDerWaalsContact SD-CA 3.58Å; M7-R78 HydrophobicContact SD-CB 4.37Å; M7-R78 PolarHBondContact SD-N 2.84Å; M7-L99 HydrophobicContact CB-CD1 4.27Å; M7-L99 HydrophobicContact CE-CB 3.42Å; M7-L99 VanDerWaalsContact CE-CB 3.42Å; M7-L99 HydrophobicContact CE-CG 3.82Å; M7-L99 WeakPolarHBondContact CE-O 3.48Å; M7-L99 HydrophobicContact CG-CB 3.66Å; M7-L99 HydrophobicContact CG-CD1 3.72Å; M7-L99 HydrophobicContact CG-CG 3.87Å; M7-L99 VanDerWaalsContact SD-C 3.51Å; M7-L99 HydrophobicContact SD-CB 3.93Å
8	L	32.6	Very low	36.3	Very low	110 Å²	110	135.4 Å²	135.4	58%	0.576	66%	0.662	S	S	*	*			trans	-110.7	-176.7	-179	-76.5	169.1	0	0	0	113.1	I75 L99	L8-I75 WeakPolarHBondContact O-CG2 3.28Å; L8-L99 VanDerWaalsContact N-CD1 3.34Å; L8-L99 WeakPolarHBondContact O-CD1 3.47Å; L8-L99 WeakPolarHBondContact O-CD2 3.48Å; L8-L99 WeakPolarHBondContact O-CG 3.08Å
9	A	31.8	Very low	36.6	Very low	49 Å²	49	135.8 Å²	135.8	41%	0.405	67%	0.673	S	S	.	*			trans	82.7	113	164.2	0	0	0	0	0	123	I75 I97 L99	A9-I75 VanDerWaalsContact CA-CD1 3.46Å; A9-I75 VanDerWaalsContact N-CG2 3.34Å; A9-I75 WeakPolarHBondContact O-CG1 3.33Å; A9-I75 WeakPolarHBondContact O-CG2 3.27Å; A9-I97 WeakPolarHBondContact O-CB 3.3Å; A9-I97 WeakPolarHBondContact O-CG2 3.33Å; A9-L99 HydrophobicContact CB-CD2 4.09Å
10	V	33.8	Very low	36.8	Very low	45 Å²	45	137.8 Å²	137.8	27%	0.273	68%	0.678	S	S	.	*			trans	-136.7	114.4	173.3	115	0	0	0	0	103.5	V73 V74 I75 I97	V10-V73 HydrophobicContact CB-CB 3.71Å; V10-V73 HydrophobicContact CB-CG1 3.69Å; V10-V73 HydrophobicContact CG1-CB 3.33Å; V10-V73 HydrophobicContact CG1-CG1 3.87Å; V10-V73 HydrophobicContact CG1-CG2 4.08Å; V10-V73 WeakPolarHBondContact CG1-O 3.25Å; V10-V73 HydrophobicContact CG2-CB 3.49Å; V10-V73 VanDerWaalsContact CG2-CB 3.49Å; V10-V73 HydrophobicContact CG2-CG1 3.31Å; V10-V73 VanDerWaalsContact CG2-O 3.26Å; V10-V73 WeakPolarHBondContact CG2-O 3.44Å; V10-V74 VanDerWaalsContact CG2-CA 3.42Å; V10-V74 WeakPolarHBondContact CG2-O 3.46Å; V10-I75 HydrophobicContact CB-CD1 3.74Å; V10-I75 HydrophobicContact CB-CG1 3.21Å; V10-I75 HydrophobicContact CG1-CG1 4.32Å; V10-I75 HydrophobicContact CG2-CB 3.99Å; V10-I75 HydrophobicContact CG2-CD1 4.17Å; V10-I75 HydrophobicContact CG2-CG1 3.1Å; V10-I75 VanDerWaalsContact N-CD1 3.34Å; V10-I75 VanDerWaalsContact N-CG1 3.31Å; V10-I97 HydrophobicContact CG2-CB 4.38Å; V10-I97 HydrophobicContact CG2-CG1 4.17Å
11	S	36.8	Very low	37.3	Very low	72 Å²	72	136.9 Å²	136.9	50%	0.503	69%	0.686	S	S	.	*			trans	-124.1	128	-175.8	-174.4	0	0	0	0	108.8
12	S	33.4	Very low	37.8	Very low	56 Å²	56	130.5 Å²	130.5	39%	0.392	65%	0.654	S	S	.	*			trans	-89.9	111.4	164	-179.6	0	0	0	0	106.2
13	F	36.4	Very low	39.1	Very low	176 Å²	176	130.6 Å²	130.6	77%	0.772	66%	0.655	S	S	*	*			trans	-83.8	111.1	-178.3	-174.9	-101.8	0	0	0	109.4	K15	F13-K15 HydrophobicContact CE1-CB 4.22Å
14	E	40.4	Very low	40.7	Very low	139 Å²	139	131.9 Å²	131.9	65%	0.65	64%	0.641	S	S	*	*			trans	-119.7	117.2	168.1	-170.8	71.8	-138.3	0	0	107.5	R16	E14-R16 PolarHBondContact O-N 2.99Å
15	K	44.3	Very low	43.2	Very low	172 Å²	172	129.7 Å²	129.7	75%	0.748	64%	0.642	S	S	*	*			trans	-80.7	92.8	179.5	-169.6	177.8	-172.8	179.9	0	108.5	F13	F13-K15 HydrophobicContact CE1-CB 4.22Å
16	R	38.8	Very low	44.9	Very low	215 Å²	215	126.6 Å²	126.6	81%	0.811	64%	0.638	S	S	*	*			trans	-157.8	130.7	153.7	-121.3	169.5	-73.1	-135.7	2.8	113.1	E14 T18	E14-R16 PolarHBondContact O-N 2.99Å; R16-T18 PolarHBondContact O-N 3.46Å
17	R	54	Low	46.7	Very low	242 Å²	242	125.8 Å²	125.8	91%	0.913	64%	0.638	S	S	*	*			trans	-78.1	107.5	-179.9	-151.8	-173.4	-68.6	171.1	-4.6	107.4
18	T	38.3	Very low	49.3	Very low	128 Å²	128	126.7 Å²	126.7	79%	0.785	66%	0.663	S	S	*	*	S	Bend	trans	177.5	140.8	149.6	37.5	0	0	0	0	108.9	R16 F20	R16-T18 PolarHBondContact O-N 3.46Å; T18-F20 PolarHBondContact O-N 2.88Å
19	T	43.1	Very low	51.7	Low	143 Å²	143	125.3 Å²	125.3	88%	0.877	66%	0.656	S	S	*	*			trans	-56.3	99.2	-175.9	46.9	0	0	0	0	112.2
20	F	40.2	Very low	54.1	Low	174 Å²	174	127.9 Å²	127.9	76%	0.763	67%	0.666	S	S	*	*			trans	-129.2	108.6	162.1	-113.1	-94.9	0	0	0	107.1	T18 M22	T18-F20 PolarHBondContact O-N 2.88Å; F20-M22 HydrophobicContact CB-CG 4.42Å; F20-M22 PolarHBondContact O-N 2.77Å
21	S	47.9	Very low	56.4	Low	120 Å²	120	127.8 Å²	127.8	84%	0.839	67%	0.67	S	S	*	*			trans	-68.2	75	169	177	0	0	0	0	108.7	S23	S21-S23 PolarHBondContact O-N 3.28Å
22	M	48.8	Very low	58.7	Low	103 Å²	103	128.1 Å²	128.1	51%	0.507	67%	0.669	S	S	.	*			trans	-73.5	101.6	165.8	-72.8	-69.5	-68	0	0	106.7	F20 R24	F20-M22 HydrophobicContact CB-CG 4.42Å; F20-M22 PolarHBondContact O-N 2.77Å; M22-R24 PolarHBondContact O-N 3.31Å
23	S	54.7	Low	61	Low	106 Å²	106	126.5 Å²	126.5	74%	0.741	66%	0.657	S	S	*	*			trans	-53.6	100.2	169.6	-58.9	0	0	0	0	108.7	S21 I25	S21-S23 PolarHBondContact O-N 3.28Å; S23-I25 PolarHBondContact O-N 3.29Å
24	R	66.4	Low	63.2	Low	159 Å²	159	124.9 Å²	124.9	60%	0.6	66%	0.664	S	S	*	*			trans	-75.7	113.1	176.8	-63.4	-65.3	-175.6	159.2	1.7	107	M22 L26	M22-R24 PolarHBondContact O-N 3.31Å; R24-L26 PolarHBondContact O-N 3.18Å
25	I	72.8	Confident	65.4	Low	146 Å²	146	124.4 Å²	124.4	75%	0.749	67%	0.666	S	S	*	*			trans	-72.9	121.8	177.5	-58.2	175.6	0	0	0	108.4	S23 N27	S23-I25 PolarHBondContact O-N 3.29Å; I25-N27 WeakPolarHBondContact CG2-OD1 3.1Å
26	L	77.8	Confident	67.4	Low	116 Å²	116	123 Å²	123	61%	0.607	67%	0.666	S	S	*	*			trans	-108.2	113.1	173.7	-179.3	67.5	0	0	0	109	R24 I75	R24-L26 PolarHBondContact O-N 3.18Å; L26-I75 HydrophobicContact CD1-CD1 3.86Å
27	N	80.8	Confident	69.4	Low	109 Å²	109	114 Å²	114	58%	0.583	64%	0.64	S	S	*	*			trans	-97.1	121.3	177.5	-65.2	-37.9	0	0	0	110.2	I25	I25-N27 WeakPolarHBondContact CG2-OD1 3.1Å
28	G	81.5	Confident	70.9	Confident	81 Å²	81	107.2 Å²	107.2	84%	0.835	62%	0.621	S	S	*	*			trans	-90.2	124.1	171.6	0	0	0	0	0	110.8
29	I	83.3	Confident	72.9	Confident	81 Å²	81	103.4 Å²	103.4	42%	0.415	61%	0.607	S	S	.	*			trans	-112.4	119.4	173.5	-54.2	174.2	0	0	0	107.6	F58 M61 T62	I29-F58 HydrophobicContact CB-CD2 4.47Å; I29-F58 HydrophobicContact CD1-CD2 4.11Å; I29-F58 HydrophobicContact CD1-CE2 4.42Å; I29-F58 HydrophobicContact CG2-CD2 4.14Å; I29-M61 HydrophobicContact CD1-CB 4.08Å; I29-M61 HydrophobicContact CD1-CG 3.74Å; I29-T62 HydrophobicContact CD1-CG2 3.95Å
30	V	82.5	Confident	74.8	Confident	103 Å²	103	103.6 Å²	103.6	62%	0.624	60%	0.596	S	S	*	*			trans	-140.3	131.5	179.7	66.1	0	0	0	0	110.3	V32 I38	V30-V32 HydrophobicContact CG1-CG1 4.23Å; V30-V32 HydrophobicContact CG2-CG1 3.85Å; V30-I38 HydrophobicContact CG2-CG2 3.81Å
31	A	81.6	Confident	76.8	Confident	43 Å²	43	102.3 Å²	102.3	36%	0.355	60%	0.597	S	S	.	*			trans	-95.1	132.5	164.8	0	0	0	0	0	107.9	W46	A31-W46 HydrophobicContact CB-CH2 3.62Å; A31-W46 HydrophobicContact CB-CZ2 4.33Å; A31-W46 HydrophobicContact CB-CZ3 3.79Å; A31-W46 VanDerWaalsContact O-CH2 3.28Å; A31-W46 WeakPolarHBondContact O-CH2 3.5Å
32	V	85.4	Confident	78	Confident	79 Å²	79	99.2 Å²	99.2	48%	0.479	58%	0.584	S	S	.	*			trans	-127.6	141.8	-176.7	-64.2	0	0	0	0	110.4	V30 I38	V30-V32 HydrophobicContact CG1-CG1 4.23Å; V30-V32 HydrophobicContact CG2-CG1 3.85Å; V32-I38 HydrophobicContact CG1-CG2 3.87Å
33	C	82.3	Confident	79.4	Confident	21 Å²	21	101.9 Å²	101.9	14%	0.142	59%	0.592	C	S	.	*			trans	-71.6	163.3	165.6	-71.9	0	0	0	0	110.3	N35 L36 G37 P45 W46	C33-N35 WeakPolarHBondContact CB-OD1 3.14Å; C33-N35 PolarHBondContact O-N 3.24Å; C33-N35 VanDerWaalsContact O-N 3.07Å; C33-L36 WeakPolarHBondContact O-CA 2.7Å; C33-L36 PolarHBondContact O-N 3.42Å; C33-G37 WeakPolarHBondContact CB-O 3Å; C33-G37 PolarHBondContact N-O 3.16Å; C33-P45 VanDerWaalsContact SG-CG 3.54Å; C33-W46 PolarHBondContact SG-NE1 3.3Å
34	P	82.9	Confident	80.7	Confident	143 Å²	143	100.5 Å²	100.5	93%	0.929	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-27.2	174.8	-26.7	35.3	0	0	0	114.1	L36	P34-L36 VanDerWaalsContact C-N 3.31Å
35	N	86.6	Confident	81.2	Confident	128 Å²	128	95.8 Å²	95.8	68%	0.684	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	18	175.4	69.8	-15.8	0	0	0	113.8	C33 G37	C33-N35 WeakPolarHBondContact CB-OD1 3.14Å; C33-N35 PolarHBondContact O-N 3.24Å; C33-N35 VanDerWaalsContact O-N 3.07Å; N35-G37 PolarHBondContact O-N 2.89Å; N35-G37 PolarHBondContact OD1-N 3.13Å
36	L	85.1	Confident	81.6	Confident	143 Å²	143	92 Å²	92	75%	0.749	54%	0.543	S	S	*	.	S	Bend	trans	63.5	13.9	-177.1	-51.9	175	0	0	0	115	C33 P34	C33-L36 WeakPolarHBondContact O-CA 2.7Å; C33-L36 PolarHBondContact O-N 3.42Å; P34-L36 VanDerWaalsContact C-N 3.31Å
37	G	82.5	Confident	81.4	Confident	25 Å²	25	91.9 Å²	91.9	26%	0.258	54%	0.539	S	S	.	.			trans	-73.8	136.7	172.9	0	0	0	0	0	112.6	C33 N35	C33-G37 WeakPolarHBondContact CB-O 3Å; C33-G37 PolarHBondContact N-O 3.16Å; N35-G37 PolarHBondContact O-N 2.89Å; N35-G37 PolarHBondContact OD1-N 3.13Å
38	I	83.9	Confident	80.7	Confident	100 Å²	100	91.1 Å²	91.1	51%	0.513	54%	0.54	S	S	.	.			trans	-114	-13.4	179.8	61.6	172.7	0	0	0	113.9	V30 V32	V30-I38 HydrophobicContact CG2-CG2 3.81Å; V32-I38 HydrophobicContact CG1-CG2 3.87Å
39	G	81.5	Confident	79.9	Confident	49 Å²	49	93.5 Å²	93.5	51%	0.505	53%	0.532	S	S	.	.			trans	-171.1	147.3	-170.8	0	0	0	0	0	111.9	K43	G39-K43 CarbonylContact C-O 3.55Å; G39-K43 VanDerWaalsContact CA-O 3.28Å; G39-K43 WeakPolarHBondContact CA-O 2.9Å
40	K	81.3	Confident	79.3	Confident	147 Å²	147	99.8 Å²	99.8	64%	0.639	55%	0.551	S	S	*	*	B	Isolated β-bridge	trans	-134.3	130.7	171.1	-173.4	179.3	176	-178.6	0	108.5	G42 K43	K40-G42 PolarHBondContact O-N 2.89Å; K40-G42 VanDerWaalsContact O-N 3.15Å; K40-K43 PolarHBondContact N-O 2.9Å; K40-K43 PolarHBondContact O-N 3.37Å
41	D	82.7	Confident	79	Confident	147 Å²	147	95.6 Å²	95.6	79%	0.786	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	36.4	178.3	-53.1	-39.8	0	0	0	114.5	K43	D41-K43 PolarHBondContact O-N 3.17Å
42	G	74.1	Confident	78.9	Confident	54 Å²	54	96.9 Å²	96.9	56%	0.557	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	6.8	-179.3	0	0	0	0	0	114.7	K40 S83	K40-G42 PolarHBondContact O-N 2.89Å; K40-G42 VanDerWaalsContact O-N 3.15Å; G42-S83 WeakPolarHBondContact O-CB 3.38Å
43	K	77.7	Confident	78.8	Confident	159 Å²	159	99.2 Å²	99.2	69%	0.691	54%	0.541	S	S	*	.	B	Isolated β-bridge	trans	-117.9	160.8	176.1	-63.8	179.6	-177.4	176.1	0	110.5	G39 K40 D41	G39-K43 CarbonylContact C-O 3.55Å; G39-K43 VanDerWaalsContact CA-O 3.28Å; G39-K43 WeakPolarHBondContact CA-O 2.9Å; K40-K43 PolarHBondContact N-O 2.9Å; K40-K43 PolarHBondContact O-N 3.37Å; D41-K43 PolarHBondContact O-N 3.17Å
44	L	81.4	Confident	78.9	Confident	77 Å²	77	103.3 Å²	103.3	40%	0.403	56%	0.558	S	S	.	*			trans	-68.9	139.5	169.4	-62	-177.2	0	0	0	109.3	W46 L51 F55	L44-W46 HydrophobicContact CB-CE3 3.77Å; L44-W46 HydrophobicContact CB-CZ3 3.98Å; L44-W46 HydrophobicContact CD1-CE3 4.24Å; L44-W46 HydrophobicContact CD1-CZ3 4.16Å; L44-W46 HydrophobicContact CD2-CE3 4.4Å; L44-W46 HydrophobicContact CD2-CZ3 3.74Å; L44-W46 HydrophobicContact CG-CE3 4.35Å; L44-W46 HydrophobicContact CG-CZ3 4.16Å; L44-W46 PolarHBondContact O-N 3.24Å; L44-L51 HydrophobicContact CB-CD1 4.3Å; L44-L51 HydrophobicContact CD1-CD1 3.95Å; L44-F55 HydrophobicContact CD1-CE1 4.22Å; L44-F55 HydrophobicContact CD1-CZ 3.75Å
45	P	78.6	Confident	78.9	Confident	61 Å²	61	101 Å²	101	40%	0.396	53%	0.534	S	S	.	.	S	Bend	trans	-74.9	-11.9	-176.7	31.2	-34.4	0	0	0	112.7	C33	C33-P45 VanDerWaalsContact SG-CG 3.54Å
46	W	79.4	Confident	78.8	Confident	65 Å²	65	97.5 Å²	97.5	25%	0.246	52%	0.522	C	S	.	.	S	Bend	trans	-95.6	149.5	-178.4	-33.8	-81.7	0	0	0	111.9	A31 C33 L44 L51	A31-W46 HydrophobicContact CB-CH2 3.62Å; A31-W46 HydrophobicContact CB-CZ2 4.33Å; A31-W46 HydrophobicContact CB-CZ3 3.79Å; A31-W46 VanDerWaalsContact O-CH2 3.28Å; A31-W46 WeakPolarHBondContact O-CH2 3.5Å; C33-W46 PolarHBondContact SG-NE1 3.3Å; L44-W46 HydrophobicContact CB-CE3 3.77Å; L44-W46 HydrophobicContact CB-CZ3 3.98Å; L44-W46 HydrophobicContact CD1-CE3 4.24Å; L44-W46 HydrophobicContact CD1-CZ3 4.16Å; L44-W46 HydrophobicContact CD2-CE3 4.4Å; L44-W46 HydrophobicContact CD2-CZ3 3.74Å; L44-W46 HydrophobicContact CG-CE3 4.35Å; L44-W46 HydrophobicContact CG-CZ3 4.16Å; L44-W46 PolarHBondContact O-N 3.24Å; W46-L51 HydrophobicContact CB-CD1 3.84Å; W46-L51 HydrophobicContact CB-CD2 4.32Å; W46-L51 HydrophobicContact CB-CG 4.02Å; W46-L51 HydrophobicContact CD2-CD2 4.23Å; W46-L51 HydrophobicContact CE3-CD1 4.01Å; W46-L51 HydrophobicContact CE3-CD2 3.66Å; W46-L51 HydrophobicContact CE3-CG 4.35Å; W46-L51 HydrophobicContact CZ3-CD2 4.42Å
47	H	73.8	Confident	78.8	Confident	115 Å²	115	95.8 Å²	95.8	53%	0.532	51%	0.51	S	S	.	.			trans	-67.8	137.4	-179	-160	-91.9	0	0	0	111.4	I49 R50	H47-I49 PolarHBondContact O-N 2.83Å; H47-I49 VanDerWaalsContact O-N 3.11Å; H47-R50 PolarHBondContact O-N 3.19Å
48	P	65.6	Low	79	Confident	92 Å²	92	97.5 Å²	97.5	60%	0.597	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-56	-35.1	-173.1	-24.6	30.7	0	0	0	114.6	R50 L51	P48-R50 PolarHBondContact O-N 2.84Å; P48-L51 PolarHBondContact O-N 2.87Å
49	I	66.1	Low	79.2	Confident	131 Å²	131	99.9 Å²	99.9	67%	0.672	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-61.7	-33.7	179.5	-62.5	172.5	0	0	0	111.5	H47 L51 S52	H47-I49 PolarHBondContact O-N 2.83Å; H47-I49 VanDerWaalsContact O-N 3.11Å; I49-L51 VanDerWaalsContact C-N 3.34Å; I49-S52 PolarHBondContact O-OG 2.68Å
50	R	70	Confident	79.4	Confident	214 Å²	214	104.8 Å²	104.8	81%	0.808	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-83.5	-11.3	-179.5	-58.6	-167	-161.9	163.2	4.2	113.5	H47 P48	H47-R50 PolarHBondContact O-N 3.19Å; P48-R50 PolarHBondContact O-N 2.84Å
51	L	77.4	Confident	79.7	Confident	14 Å²	14	102.6 Å²	102.6	7%	0.073	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-102.9	-0.1	-175.8	-75.4	160.2	0	0	0	113.3	L44 W46 P48 I49 N53 E54 F55	L44-L51 HydrophobicContact CB-CD1 4.3Å; L44-L51 HydrophobicContact CD1-CD1 3.95Å; W46-L51 HydrophobicContact CB-CD1 3.84Å; W46-L51 HydrophobicContact CB-CD2 4.32Å; W46-L51 HydrophobicContact CB-CG 4.02Å; W46-L51 HydrophobicContact CD2-CD2 4.23Å; W46-L51 HydrophobicContact CE3-CD1 4.01Å; W46-L51 HydrophobicContact CE3-CD2 3.66Å; W46-L51 HydrophobicContact CE3-CG 4.35Å; W46-L51 HydrophobicContact CZ3-CD2 4.42Å; P48-L51 PolarHBondContact O-N 2.87Å; I49-L51 VanDerWaalsContact C-N 3.34Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 3.19Å; L51-E54 HydrophobicContact CD2-CB 4.16Å; L51-E54 HydrophobicContact CD2-CG 4.23Å; L51-E54 PolarHBondContact O-N 3.13Å; L51-E54 VanDerWaalsContact O-N 3.14Å; L51-F55 HydrophobicContact CB-CD2 3.82Å; L51-F55 HydrophobicContact CB-CE2 3.55Å; L51-F55 HydrophobicContact CB-CZ 4.41Å; L51-F55 HydrophobicContact CD1-CE2 4.23Å; L51-F55 WeakPolarHBondContact O-CD2 3.15Å; L51-F55 PolarHBondContact O-N 3.49Å
52	S	78.1	Confident	79.8	Confident	71 Å²	71	96.3 Å²	96.3	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-55.7	-43.5	-178.1	55.1	0	0	0	0	112.3	I49 F55 A56	I49-S52 PolarHBondContact O-OG 2.68Å; S52-F55 PolarHBondContact O-N 3.39Å; S52-A56 WeakPolarHBondContact O-CB 3.5Å; S52-A56 PolarHBondContact O-N 2.75Å
53	N	83.6	Confident	80.3	Confident	127 Å²	127	95.6 Å²	95.6	68%	0.679	47%	0.47	S	S	*	.	H	α-helix	trans	-65.4	-43.3	176.3	-73.2	-8.2	0	0	0	112.1	L51 F55 A56 H57	L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 3.19Å; N53-F55 PolarHBondContact O-N 2.96Å; N53-A56 WeakPolarHBondContact O-CB 3.2Å; N53-A56 PolarHBondContact O-N 3.15Å; N53-H57 WeakPolarHBondContact O-CB 3.4Å; N53-H57 PolarHBondContact O-N 3.17Å
54	E	83.8	Confident	80.6	Confident	107 Å²	107	92.1 Å²	92.1	50%	0.5	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-41.3	176.6	-65.6	-55.5	122.5	0	0	111.7	L51 A56 H57 F58	L51-E54 HydrophobicContact CD2-CB 4.16Å; L51-E54 HydrophobicContact CD2-CG 4.23Å; L51-E54 PolarHBondContact O-N 3.13Å; L51-E54 VanDerWaalsContact O-N 3.14Å; E54-A56 VanDerWaalsContact C-N 3.35Å; E54-A56 PolarHBondContact O-N 3.3Å; E54-H57 PolarHBondContact O-N 3.13Å; E54-F58 WeakPolarHBondContact O-CB 3.23Å; E54-F58 PolarHBondContact O-N 3.39Å
55	F	83.1	Confident	80.6	Confident	96 Å²	96	90.7 Å²	90.7	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-36	174.8	-73.2	-56.9	0	0	0	112.7	L44 L51 S52 N53 R59	L44-F55 HydrophobicContact CD1-CE1 4.22Å; L44-F55 HydrophobicContact CD1-CZ 3.75Å; L51-F55 HydrophobicContact CB-CD2 3.82Å; L51-F55 HydrophobicContact CB-CE2 3.55Å; L51-F55 HydrophobicContact CB-CZ 4.41Å; L51-F55 HydrophobicContact CD1-CE2 4.23Å; L51-F55 WeakPolarHBondContact O-CD2 3.15Å; L51-F55 PolarHBondContact O-N 3.49Å; S52-F55 PolarHBondContact O-N 3.39Å; N53-F55 PolarHBondContact O-N 2.96Å; F55-R59 VanDerWaalsContact O-CB 3.3Å; F55-R59 WeakPolarHBondContact O-CB 3.39Å; F55-R59 PolarHBondContact O-N 2.82Å
56	A	85.7	Confident	80.6	Confident	53 Å²	53	93.4 Å²	93.4	44%	0.438	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-43.4	174.3	0	0	0	0	0	110.9	S52 N53 E54 R59 K60	S52-A56 WeakPolarHBondContact O-CB 3.5Å; S52-A56 PolarHBondContact O-N 2.75Å; N53-A56 WeakPolarHBondContact O-CB 3.2Å; N53-A56 PolarHBondContact O-N 3.15Å; E54-A56 VanDerWaalsContact C-N 3.35Å; E54-A56 PolarHBondContact O-N 3.3Å; A56-R59 PolarHBondContact O-N 3.01Å; A56-K60 WeakPolarHBondContact O-CB 2.76Å; A56-K60 PolarHBondContact O-N 2.89Å
57	H	84.9	Confident	80.6	Confident	107 Å²	107	93.6 Å²	93.6	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-61.2	-49.9	174.9	-174.8	80.4	0	0	0	111.5	N53 E54 R59 K60 M61	N53-H57 WeakPolarHBondContact O-CB 3.4Å; N53-H57 PolarHBondContact O-N 3.17Å; E54-H57 PolarHBondContact O-N 3.13Å; H57-R59 VanDerWaalsContact C-N 3.3Å; H57-R59 PolarHBondContact O-N 3.05Å; H57-K60 PolarHBondContact O-N 3.45Å; H57-M61 WeakPolarHBondContact O-CB 3.45Å; H57-M61 PolarHBondContact O-N 3.41Å
58	F	86.8	Confident	80.8	Confident	62 Å²	62	92.9 Å²	92.9	27%	0.272	50%	0.5	S	S	.	.	H	α-helix	trans	-55.8	-44.4	175.1	174.8	-99.3	0	0	0	111.8	I29 E54 T62 V74 L91	I29-F58 HydrophobicContact CB-CD2 4.47Å; I29-F58 HydrophobicContact CD1-CD2 4.11Å; I29-F58 HydrophobicContact CD1-CE2 4.42Å; I29-F58 HydrophobicContact CG2-CD2 4.14Å; E54-F58 WeakPolarHBondContact O-CB 3.23Å; E54-F58 PolarHBondContact O-N 3.39Å; F58-T62 HydrophobicContact CD2-CG2 4.01Å; F58-T62 HydrophobicContact CE1-CG2 4.34Å; F58-T62 HydrophobicContact CE2-CG2 3.64Å; F58-T62 HydrophobicContact CZ-CG2 3.83Å; F58-T62 WeakPolarHBondContact O-CB 3.26Å; F58-T62 WeakPolarHBondContact O-CG2 3.43Å; F58-T62 PolarHBondContact O-N 3.12Å; F58-T62 PolarHBondContact O-OG1 3.25Å; F58-V74 HydrophobicContact CZ-CG1 4.31Å; F58-L91 HydrophobicContact CE1-CD1 4.04Å; F58-L91 HydrophobicContact CZ-CD1 4.38Å
59	R	87	Confident	81.6	Confident	149 Å²	149	92.7 Å²	92.7	56%	0.562	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-45.7	178.3	-170.8	-176.1	-53.6	164.2	6.1	111.6	F55 A56 H57 A63	F55-R59 VanDerWaalsContact O-CB 3.3Å; F55-R59 WeakPolarHBondContact O-CB 3.39Å; F55-R59 PolarHBondContact O-N 2.82Å; A56-R59 PolarHBondContact O-N 3.01Å; H57-R59 VanDerWaalsContact C-N 3.3Å; H57-R59 PolarHBondContact O-N 3.05Å; R59-A63 WeakPolarHBondContact O-CB 3.48Å; R59-A63 PolarHBondContact O-N 2.82Å
60	K	87.2	Confident	82.3	Confident	153 Å²	153	92.5 Å²	92.5	67%	0.665	51%	0.505	S	S	*	.	H	α-helix	trans	-60.5	-50.2	177.9	-175.7	179	178.8	-179	0	110.9	A56 H57 T62 A63 T64	A56-K60 WeakPolarHBondContact O-CB 2.76Å; A56-K60 PolarHBondContact O-N 2.89Å; H57-K60 PolarHBondContact O-N 3.45Å; K60-T62 PolarHBondContact O-N 3.13Å; K60-A63 PolarHBondContact O-N 3.03Å; K60-T64 WeakPolarHBondContact O-CB 2.93Å; K60-T64 PolarHBondContact O-N 3.37Å; K60-T64 VanDerWaalsContact O-N 3.08Å; K60-T64 PolarHBondContact O-OG1 3.36Å; K60-T64 VanDerWaalsContact O-OG1 3.04Å
61	M	85.9	Confident	83	Confident	100 Å²	100	85.9 Å²	85.9	49%	0.493	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-41.6	-177.7	-169	62.6	147.8	0	0	112.4	I29 H57	I29-M61 HydrophobicContact CD1-CB 4.08Å; I29-M61 HydrophobicContact CD1-CG 3.74Å; H57-M61 WeakPolarHBondContact O-CB 3.45Å; H57-M61 PolarHBondContact O-N 3.41Å
62	T	85.8	Confident	83.3	Confident	16 Å²	16	87.4 Å²	87.4	10%	0.098	50%	0.497	C	S	.	.	H	α-helix	trans	-82	-26.9	-178.6	56.5	0	0	0	0	113.4	I29 F58 K60 N72 V74 R94	I29-T62 HydrophobicContact CD1-CG2 3.95Å; F58-T62 HydrophobicContact CD2-CG2 4.01Å; F58-T62 HydrophobicContact CE1-CG2 4.34Å; F58-T62 HydrophobicContact CE2-CG2 3.64Å; F58-T62 HydrophobicContact CZ-CG2 3.83Å; F58-T62 WeakPolarHBondContact O-CB 3.26Å; F58-T62 WeakPolarHBondContact O-CG2 3.43Å; F58-T62 PolarHBondContact O-N 3.12Å; F58-T62 PolarHBondContact O-OG1 3.25Å; K60-T62 PolarHBondContact O-N 3.13Å; T62-N72 WeakPolarHBondContact O-CB 3.4Å; T62-N72 PolarHBondContact O-ND2 3.24Å; T62-V74 HydrophobicContact CG2-CG2 4.11Å; T62-R94 WeakPolarHBondContact O-CD 3.29Å; T62-R94 VanDerWaalsContact O-CG 3.29Å; T62-R94 WeakPolarHBondContact O-CG 3.39Å; T62-R94 WeakPolarHBondContact OG1-CD 3.05Å; T62-R94 PolarHBondContact OG1-NH1 3.31Å
63	A	85.1	Confident	83.8	Confident	39 Å²	39	85.2 Å²	85.2	32%	0.322	48%	0.48	S	S	.	.	H	α-helix	trans	-87.9	-24.7	-178.9	0	0	0	0	0	113.4	R59 K60 P65	R59-A63 WeakPolarHBondContact O-CB 3.48Å; R59-A63 PolarHBondContact O-N 2.82Å; K60-A63 PolarHBondContact O-N 3.03Å; A63-P65 WeakPolarHBondContact O-CD 3.48Å
64	T	83.7	Confident	83.9	Confident	85 Å²	85	79.8 Å²	79.8	52%	0.521	45%	0.452	S	S	.	.	S	Bend	trans	-88.8	109.6	-179.3	-57	0	0	0	0	110.6	K60 N72	K60-T64 WeakPolarHBondContact O-CB 2.93Å; K60-T64 PolarHBondContact O-N 3.37Å; K60-T64 VanDerWaalsContact O-N 3.08Å; K60-T64 PolarHBondContact O-OG1 3.36Å; K60-T64 VanDerWaalsContact O-OG1 3.04Å; T64-N72 VanDerWaalsContact C-ND2 3.33Å; T64-N72 PolarHBondContact O-ND2 3.09Å
65	P	80.9	Confident	84.1	Confident	47 Å²	47	76.7 Å²	76.7	31%	0.305	44%	0.438	S	S	.	.			trans	-72.9	138.5	175.7	31.9	-35.5	0	0	0	110.7	A63 V67 R70 N72	A63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-V67 PolarHBondContact O-N 3.37Å; P65-R70 WeakPolarHBondContact CB-O 3.18Å; P65-R70 WeakPolarHBondContact CG-O 3.04Å; P65-N72 WeakPolarHBondContact CA-OD1 3.17Å
66	S	78.1	Confident	84.3	Confident	118 Å²	118	72.7 Å²	72.7	83%	0.825	42%	0.421	S	S	*	.	S	Bend	trans	-70.8	-14.8	174.6	-49.3	0	0	0	0	113
67	V	80.3	Confident	84.3	Confident	69 Å²	69	70.9 Å²	70.9	42%	0.418	41%	0.407	S	S	.	.	S	Bend	trans	-124.9	126.1	-179.8	-178.7	0	0	0	0	108.5	P65 R70	P65-V67 PolarHBondContact O-N 3.37Å; V67-R70 HydrophobicContact CB-CB 4.46Å; V67-R70 HydrophobicContact CB-CG 4.26Å; V67-R70 HydrophobicContact CG1-CG 4.16Å; V67-R70 PolarHBondContact O-N 3.32Å
68	A	78.8	Confident	84.3	Confident	101 Å²	101	70.8 Å²	70.8	84%	0.835	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	138	178.2	0	0	0	0	0	111.3	R70	A68-R70 VanDerWaalsContact C-N 3.28Å; A68-R70 PolarHBondContact O-N 2.8Å
69	G	80.5	Confident	84.1	Confident	88 Å²	88	75.4 Å²	75.4	91%	0.907	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	0.5	-179.7	0	0	0	0	0	115.6
70	R	81.8	Confident	84	Confident	127 Å²	127	71.8 Å²	71.8	48%	0.479	42%	0.417	S	S	.	.			trans	-102	154	173.3	-65.3	-168.3	178	157	1	111.6	P65 V67 A68	P65-R70 WeakPolarHBondContact CB-O 3.18Å; P65-R70 WeakPolarHBondContact CG-O 3.04Å; V67-R70 HydrophobicContact CB-CB 4.46Å; V67-R70 HydrophobicContact CB-CG 4.26Å; V67-R70 HydrophobicContact CG1-CG 4.16Å; V67-R70 PolarHBondContact O-N 3.32Å; A68-R70 VanDerWaalsContact C-N 3.28Å; A68-R70 PolarHBondContact O-N 2.8Å
71	T	83.6	Confident	83.9	Confident	74 Å²	74	64.6 Å²	64.6	45%	0.454	39%	0.386	S	S	.	.			trans	-110.1	130.7	174.1	-52.2	0	0	0	0	109.5	I95	T71-I95 HydrophobicContact CG2-CG1 4.24Å
72	N	85.7	Confident	83.8	Confident	47 Å²	47	65.4 Å²	65.4	25%	0.251	39%	0.387	S	S	.	.			trans	-70.4	148.3	170.9	-70.6	-14.6	0	0	0	109.8	T62 T64 P65 R94 I95	T62-N72 WeakPolarHBondContact O-CB 3.4Å; T62-N72 PolarHBondContact O-ND2 3.24Å; T64-N72 VanDerWaalsContact C-ND2 3.33Å; T64-N72 PolarHBondContact O-ND2 3.09Å; P65-N72 WeakPolarHBondContact CA-OD1 3.17Å; N72-R94 WeakPolarHBondContact O-CA 3.07Å; N72-I95 PolarHBondContact O-N 3.29Å; N72-I95 VanDerWaalsContact O-N 3.15Å
73	V	86.6	Confident	83.7	Confident	24 Å²	24	67.4 Å²	67.4	15%	0.145	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.9	-176.8	-165.7	0	0	0	0	104.3	V10 I95 I97	V10-V73 HydrophobicContact CB-CB 3.71Å; V10-V73 HydrophobicContact CB-CG1 3.69Å; V10-V73 HydrophobicContact CG1-CB 3.33Å; V10-V73 HydrophobicContact CG1-CG1 3.87Å; V10-V73 HydrophobicContact CG1-CG2 4.08Å; V10-V73 WeakPolarHBondContact CG1-O 3.25Å; V10-V73 HydrophobicContact CG2-CB 3.49Å; V10-V73 VanDerWaalsContact CG2-CB 3.49Å; V10-V73 HydrophobicContact CG2-CG1 3.31Å; V10-V73 VanDerWaalsContact CG2-O 3.26Å; V10-V73 WeakPolarHBondContact CG2-O 3.44Å; V73-I95 CarbonylContact C-O 3.53Å; V73-I95 VanDerWaalsContact CA-O 3.23Å; V73-I95 WeakPolarHBondContact CA-O 3.05Å; V73-I95 HydrophobicContact CB-CB 3.94Å; V73-I95 HydrophobicContact CB-CG2 4.45Å; V73-I95 HydrophobicContact CG1-CB 3.41Å; V73-I95 VanDerWaalsContact CG1-CB 3.41Å; V73-I95 HydrophobicContact CG1-CG2 3.41Å; V73-I95 VanDerWaalsContact CG1-CG2 3.41Å; V73-I95 WeakPolarHBondContact CG1-O 3.21Å; V73-I95 HydrophobicContact CG2-CB 4.08Å; V73-I95 HydrophobicContact CG2-CD1 4.02Å; V73-I97 HydrophobicContact CG1-CD1 3.93Å; V73-I97 HydrophobicContact CG1-CG1 3.82Å
74	V	87.3	Confident	83.6	Confident	14 Å²	14	67 Å²	67	9%	0.085	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.5	179.4	-177.8	0	0	0	0	110.6	V10 F58 T62 M76 L91 R94 I95 I97	V10-V74 VanDerWaalsContact CG2-CA 3.42Å; V10-V74 WeakPolarHBondContact CG2-O 3.46Å; F58-V74 HydrophobicContact CZ-CG1 4.31Å; T62-V74 HydrophobicContact CG2-CG2 4.11Å; V74-M76 HydrophobicContact CB-CE 4.39Å; V74-M76 HydrophobicContact CG1-CE 3.69Å; V74-L91 HydrophobicContact CG1-CD1 4.23Å; V74-L91 HydrophobicContact CG2-CD1 4.47Å; V74-R94 HydrophobicContact CG2-CB 4.13Å; V74-R94 HydrophobicContact CG2-CG 4.12Å; V74-I95 PolarHBondContact N-O 2.94Å; V74-I97 PolarHBondContact O-N 2.98Å
75	I	87.4	Confident	83.6	Confident	41 Å²	41	66.2 Å²	66.2	21%	0.21	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.8	178	-46.2	176.1	0	0	0	107	L8 A9 V10 L26 I97	L8-I75 WeakPolarHBondContact O-CG2 3.28Å; A9-I75 VanDerWaalsContact CA-CD1 3.46Å; A9-I75 VanDerWaalsContact N-CG2 3.34Å; A9-I75 WeakPolarHBondContact O-CG1 3.33Å; A9-I75 WeakPolarHBondContact O-CG2 3.27Å; V10-I75 HydrophobicContact CB-CD1 3.74Å; V10-I75 HydrophobicContact CB-CG1 3.21Å; V10-I75 HydrophobicContact CG1-CG1 4.32Å; V10-I75 HydrophobicContact CG2-CB 3.99Å; V10-I75 HydrophobicContact CG2-CD1 4.17Å; V10-I75 HydrophobicContact CG2-CG1 3.1Å; V10-I75 VanDerWaalsContact N-CD1 3.34Å; V10-I75 VanDerWaalsContact N-CG1 3.31Å; L26-I75 HydrophobicContact CD1-CD1 3.86Å; I75-I97 WeakPolarHBondContact CA-O 3.38Å
76	M	87.2	Confident	83.6	Confident	13 Å²	13	71 Å²	71	6%	0.064	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.2	165.8	65.3	-170.2	88.5	0	0	114.2	M7 V74 T80 W81 I84 L91 I97 V98	M7-M76 WeakPolarHBondContact CE-O 3.5Å; V74-M76 HydrophobicContact CB-CE 4.39Å; V74-M76 HydrophobicContact CG1-CE 3.69Å; M76-T80 HydrophobicContact CB-CG2 4Å; M76-T80 HydrophobicContact SD-CG2 4.45Å; M76-W81 HydrophobicContact CE-CE3 4.05Å; M76-W81 HydrophobicContact CE-CZ3 4.24Å; M76-W81 HydrophobicContact CG-CB 4.29Å; M76-W81 HydrophobicContact CG-CE3 4.4Å; M76-W81 HydrophobicContact SD-CB 4.2Å; M76-W81 HydrophobicContact SD-CD2 4.49Å; M76-W81 HydrophobicContact SD-CE3 3.56Å; M76-W81 VanDerWaalsContact SD-CE3 3.56Å; M76-W81 HydrophobicContact SD-CZ3 4.33Å; M76-I84 HydrophobicContact CE-CD1 4.24Å; M76-I84 HydrophobicContact SD-CD1 3.6Å; M76-L91 HydrophobicContact CE-CD1 3.96Å; M76-I97 PolarHBondContact N-O 3.2Å; M76-V98 HydrophobicContact CG-CG2 4.25Å; M76-V98 WeakPolarHBondContact O-CA 3.45Å
77	G	85.1	Confident	83.9	Confident	14 Å²	14	73.9 Å²	73.9	14%	0.144	41%	0.406	C	S	.	.			trans	-41.7	142.2	163.2	0	0	0	0	0	113.8	M7 K79 T80 W81	M7-G77 VanDerWaalsContact SD-CA 3.58Å; G77-K79 PolarHBondContact O-N 2.97Å; G77-T80 CarbonylContact O-C 3.44Å; G77-T80 WeakPolarHBondContact O-CB 3.42Å; G77-T80 PolarHBondContact O-N 3.41Å; G77-T80 VanDerWaalsContact O-N 3.09Å; G77-W81 PolarHBondContact O-N 3.49Å
78	R	85.4	Confident	84	Confident	106 Å²	106	74.4 Å²	74.4	40%	0.4	41%	0.407	S	S	.	.	H	α-helix	trans	-56.7	-43.3	166.5	178.3	-98.4	-65.6	-170.9	-3.8	110.5	M7 T80 W81 F82 V98	M7-R78 HydrophobicContact SD-CB 4.37Å; M7-R78 PolarHBondContact SD-N 2.84Å; R78-T80 VanDerWaalsContact C-N 3.34Å; R78-W81 WeakPolarHBondContact O-CB 3.44Å; R78-W81 PolarHBondContact O-N 2.83Å; R78-F82 HydrophobicContact CG-CD2 3.88Å; R78-F82 HydrophobicContact CG-CE2 3.62Å; R78-F82 WeakPolarHBondContact O-CD2 2.76Å; R78-F82 PolarHBondContact O-N 3.08Å; R78-F82 VanDerWaalsContact O-N 3.12Å; R78-V98 HydrophobicContact CB-CG1 4.37Å
79	K	83.4	Confident	84.3	Confident	159 Å²	159	70.8 Å²	70.8	69%	0.691	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-39.7	175.5	-66.4	-175.8	178.2	-178.3	0	112	G77 F82 S83	G77-K79 PolarHBondContact O-N 2.97Å; K79-F82 PolarHBondContact O-N 2.84Å; K79-S83 PolarHBondContact O-N 3.33Å
80	T	85.3	Confident	84.5	Confident	73 Å²	73	68.3 Å²	68.3	45%	0.448	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-42.6	176.3	-49.9	0	0	0	0	111.3	M76 G77 R78 F82 S83 I84	M76-T80 HydrophobicContact CB-CG2 4Å; M76-T80 HydrophobicContact SD-CG2 4.45Å; G77-T80 CarbonylContact O-C 3.44Å; G77-T80 WeakPolarHBondContact O-CB 3.42Å; G77-T80 PolarHBondContact O-N 3.41Å; G77-T80 VanDerWaalsContact O-N 3.09Å; R78-T80 VanDerWaalsContact C-N 3.34Å; T80-F82 PolarHBondContact O-N 2.89Å; T80-S83 WeakPolarHBondContact O-CB 3.41Å; T80-S83 PolarHBondContact O-N 3.39Å; T80-S83 VanDerWaalsContact O-N 3.12Å; T80-S83 PolarHBondContact O-OG 3.43Å; T80-I84 PolarHBondContact O-N 3.47Å
81	W	84.6	Confident	84.7	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-55.4	-51.9	174	-179.5	-113.8	0	0	0	110.9	M76 G77 R78 S83 I84 R89 P90 N96 V98 D106 T111	M76-W81 HydrophobicContact CE-CE3 4.05Å; M76-W81 HydrophobicContact CE-CZ3 4.24Å; M76-W81 HydrophobicContact CG-CB 4.29Å; M76-W81 HydrophobicContact CG-CE3 4.4Å; M76-W81 HydrophobicContact SD-CB 4.2Å; M76-W81 HydrophobicContact SD-CD2 4.49Å; M76-W81 HydrophobicContact SD-CE3 3.56Å; M76-W81 VanDerWaalsContact SD-CE3 3.56Å; M76-W81 HydrophobicContact SD-CZ3 4.33Å; G77-W81 PolarHBondContact O-N 3.49Å; R78-W81 WeakPolarHBondContact O-CB 3.44Å; R78-W81 PolarHBondContact O-N 2.83Å; W81-S83 PolarHBondContact O-N 2.87Å; W81-I84 PolarHBondContact O-N 3.03Å; W81-I84 VanDerWaalsContact O-N 3.13Å; W81-R89 HydrophobicContact CD2-CG 4.5Å; W81-R89 HydrophobicContact CE3-CG 4.38Å; W81-R89 HydrophobicContact CH2-CB 4.18Å; W81-R89 HydrophobicContact CH2-CG 4.36Å; W81-R89 HydrophobicContact CZ2-CB 4.18Å; W81-R89 HydrophobicContact CZ2-CG 4.41Å; W81-R89 HydrophobicContact CZ3-CG 4.33Å; W81-R89 WeakPolarHBondContact O-CD 3.3Å; W81-R89 PolarHBondContact O-NE 3.04Å; W81-P90 HydrophobicContact CH2-CB 3.91Å; W81-N96 HydrophobicContact CH2-CB 4.26Å; W81-N96 HydrophobicContact CZ3-CB 3.98Å; W81-V98 HydrophobicContact CB-CG1 3.94Å; W81-V98 HydrophobicContact CB-CG2 3.97Å; W81-V98 HydrophobicContact CD2-CG2 3.54Å; W81-V98 HydrophobicContact CE3-CG2 3.66Å; W81-V98 HydrophobicContact CG-CG1 4.2Å; W81-V98 HydrophobicContact CG-CG2 3.71Å; W81-V98 HydrophobicContact CZ3-CG2 4.23Å; W81-D106 PolarHBondContact NE1-OD2 2.87Å; W81-T111 HydrophobicContact CH2-CG2 3.88Å; W81-T111 HydrophobicContact CZ2-CG2 3.76Å
82	F	83.9	Confident	84.8	Confident	118 Å²	118	68.6 Å²	68.6	52%	0.518	34%	0.338	S	S	.	.	H	α-helix	trans	-68.9	-17.3	179.2	-71.7	-65.8	0	0	0	114.7	R78 K79 T80 I84	R78-F82 HydrophobicContact CG-CD2 3.88Å; R78-F82 HydrophobicContact CG-CE2 3.62Å; R78-F82 WeakPolarHBondContact O-CD2 2.76Å; R78-F82 PolarHBondContact O-N 3.08Å; R78-F82 VanDerWaalsContact O-N 3.12Å; K79-F82 PolarHBondContact O-N 2.84Å; T80-F82 PolarHBondContact O-N 2.89Å; F82-I84 VanDerWaalsContact C-N 3.29Å
83	S	82.3	Confident	84.7	Confident	57 Å²	57	69.2 Å²	69.2	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-19.3	173.6	78.4	0	0	0	0	113.3	G42 K79 T80 W81	G42-S83 WeakPolarHBondContact O-CB 3.38Å; K79-S83 PolarHBondContact O-N 3.33Å; T80-S83 WeakPolarHBondContact O-CB 3.41Å; T80-S83 PolarHBondContact O-N 3.39Å; T80-S83 VanDerWaalsContact O-N 3.12Å; T80-S83 PolarHBondContact O-OG 3.43Å; W81-S83 PolarHBondContact O-N 2.87Å
84	I	83.6	Confident	84.7	Confident	30 Å²	30	69.1 Å²	69.1	15%	0.154	35%	0.353	C	S	.	.	S	Bend	trans	-81.5	132.5	-179.8	-59.3	167.8	0	0	0	108.7	M76 T80 W81 F82 E86 N88 R89	M76-I84 HydrophobicContact CE-CD1 4.24Å; M76-I84 HydrophobicContact SD-CD1 3.6Å; T80-I84 PolarHBondContact O-N 3.47Å; W81-I84 PolarHBondContact O-N 3.03Å; W81-I84 VanDerWaalsContact O-N 3.13Å; F82-I84 VanDerWaalsContact C-N 3.29Å; I84-E86 PolarHBondContact O-N 3.12Å; I84-N88 HydrophobicContact CG2-CB 4Å; I84-R89 HydrophobicContact CB-CG 3.79Å; I84-R89 HydrophobicContact CG2-CG 3.62Å; I84-R89 PolarHBondContact O-NE 2.95Å
85	P	83.4	Confident	84.7	Confident	70 Å²	70	71 Å²	71	46%	0.455	36%	0.362	S	S	.	.			trans	-54.1	137.6	174.7	-25.4	33.7	0	0	0	111.7	K87 N88 R89	P85-K87 HydrophobicContact CB-CG 3.98Å; P85-K87 PolarHBondContact O-N 3.17Å; P85-K87 VanDerWaalsContact O-N 3.17Å; P85-N88 PolarHBondContact O-N 2.67Å; P85-R89 PolarHBondContact O-N 3.46Å
86	E	82.3	Confident	84.6	Confident	148 Å²	148	69 Å²	69	69%	0.692	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55	-37.2	-177.3	-72.5	178.5	178.3	0	0	112.9	I84 N88 R89	I84-E86 PolarHBondContact O-N 3.12Å; E86-N88 PolarHBondContact O-N 3.03Å; E86-R89 PolarHBondContact O-N 2.64Å; E86-R89 VanDerWaalsContact O-O 3.12Å; E86-R89 IonicContact OE1-NH2 3.82Å
87	K	84.5	Confident	84.5	Confident	177 Å²	177	68.6 Å²	68.6	77%	0.77	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56.8	-24.1	174.8	63.7	174.7	-176.9	-176.8	0	115.1	P85	P85-K87 HydrophobicContact CB-CG 3.98Å; P85-K87 PolarHBondContact O-N 3.17Å; P85-K87 VanDerWaalsContact O-N 3.17Å
88	N	82.4	Confident	84.5	Confident	81 Å²	81	67.9 Å²	67.9	43%	0.433	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-105.8	-0.4	-177.8	-68.7	-10.9	0	0	0	112.1	I84 P85 E86 P90	I84-N88 HydrophobicContact CG2-CB 4Å; P85-N88 PolarHBondContact O-N 2.67Å; E86-N88 PolarHBondContact O-N 3.03Å; N88-P90 CarbonylContact O-C 3.58Å
89	R	83.4	Confident	84.5	Confident	25 Å²	25	64.2 Å²	64.2	9%	0.094	33%	0.331	C	S	.	.			trans	-100.7	135.5	173.8	-69.8	-166.6	-91.7	152.7	5.9	109.9	W81 I84 P85 E86	W81-R89 HydrophobicContact CD2-CG 4.5Å; W81-R89 HydrophobicContact CE3-CG 4.38Å; W81-R89 HydrophobicContact CH2-CB 4.18Å; W81-R89 HydrophobicContact CH2-CG 4.36Å; W81-R89 HydrophobicContact CZ2-CB 4.18Å; W81-R89 HydrophobicContact CZ2-CG 4.41Å; W81-R89 HydrophobicContact CZ3-CG 4.33Å; W81-R89 WeakPolarHBondContact O-CD 3.3Å; W81-R89 PolarHBondContact O-NE 3.04Å; I84-R89 HydrophobicContact CB-CG 3.79Å; I84-R89 HydrophobicContact CG2-CG 3.62Å; I84-R89 PolarHBondContact O-NE 2.95Å; P85-R89 PolarHBondContact O-N 3.46Å; E86-R89 PolarHBondContact O-N 2.64Å; E86-R89 VanDerWaalsContact O-O 3.12Å; E86-R89 IonicContact OE1-NH2 3.82Å
90	P	85.9	Confident	84.4	Confident	36 Å²	36	57.4 Å²	57.4	23%	0.234	30%	0.304	C	S	.	.	S	Bend	cis	-70.4	158.4	-12.1	29.8	-33.9	0	0	0	112.3	W81 N88 K92 H108	W81-P90 HydrophobicContact CH2-CB 3.91Å; N88-P90 CarbonylContact O-C 3.58Å; P90-K92 PolarHBondContact O-N 2.89Å; P90-H108 HydrophobicContact CG-CB 4.38Å
91	L	85.5	Confident	84	Confident	22 Å²	22	59.4 Å²	59.4	12%	0.115	30%	0.303	C	S	.	.			trans	-65.5	109.9	176.3	-63.7	177	0	0	0	110	F58 V74 M76 R94 N96	F58-L91 HydrophobicContact CE1-CD1 4.04Å; F58-L91 HydrophobicContact CZ-CD1 4.38Å; V74-L91 HydrophobicContact CG1-CD1 4.23Å; V74-L91 HydrophobicContact CG2-CD1 4.47Å; M76-L91 HydrophobicContact CE-CD1 3.96Å; L91-R94 PolarHBondContact O-N 3.19Å; L91-N96 VanDerWaalsContact CB-OD1 3.3Å; L91-N96 WeakPolarHBondContact CB-OD1 3.46Å; L91-N96 WeakPolarHBondContact CG-OD1 3.21Å; L91-N96 PolarHBondContact N-ND2 3.15Å; L91-N96 PolarHBondContact N-OD1 3.47Å; L91-N96 PolarHBondContact O-ND2 2.87Å; L91-N96 VanDerWaalsContact O-ND2 3.13Å
92	K	85.7	Confident	83.4	Confident	184 Å²	184	65 Å²	65	80%	0.8	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	145.2	-178.5	-59.4	-176.6	-177.2	-177.3	0	112.1	P90 R94	P90-K92 PolarHBondContact O-N 2.89Å; K92-R94 VanDerWaalsContact C-N 3.26Å; K92-R94 VanDerWaalsContact O-CZ 3.31Å; K92-R94 PolarHBondContact O-N 2.91Å; K92-R94 PolarHBondContact O-NE 3.33Å; K92-R94 PolarHBondContact O-NH2 3.43Å
93	G	82.9	Confident	82.5	Confident	61 Å²	61	63.4 Å²	63.4	63%	0.629	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	10.2	176.5	0	0	0	0	0	115.2
94	R	87.9	Confident	81.6	Confident	22 Å²	22	67.6 Å²	67.6	8%	0.083	33%	0.331	C	S	.	.	S	Bend	trans	-139.3	150.9	-178.5	-72.5	150.2	-70	-168.9	1.6	110.1	T62 N72 V74 L91 K92 N96	T62-R94 WeakPolarHBondContact O-CD 3.29Å; T62-R94 VanDerWaalsContact O-CG 3.29Å; T62-R94 WeakPolarHBondContact O-CG 3.39Å; T62-R94 WeakPolarHBondContact OG1-CD 3.05Å; T62-R94 PolarHBondContact OG1-NH1 3.31Å; N72-R94 WeakPolarHBondContact O-CA 3.07Å; V74-R94 HydrophobicContact CG2-CB 4.13Å; V74-R94 HydrophobicContact CG2-CG 4.12Å; L91-R94 PolarHBondContact O-N 3.19Å; K92-R94 VanDerWaalsContact C-N 3.26Å; K92-R94 VanDerWaalsContact O-CZ 3.31Å; K92-R94 PolarHBondContact O-N 2.91Å; K92-R94 PolarHBondContact O-NE 3.33Å; K92-R94 PolarHBondContact O-NH2 3.43Å; R94-N96 PolarHBondContact O-ND2 3.44Å; R94-N96 VanDerWaalsContact O-ND2 3.13Å
95	I	86.1	Confident	80.4	Confident	52 Å²	52	74.8 Å²	74.8	27%	0.267	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.7	168.6	-61.3	167.7	0	0	0	107.3	T71 N72 V73 V74 I97	T71-I95 HydrophobicContact CG2-CG1 4.24Å; N72-I95 PolarHBondContact O-N 3.29Å; N72-I95 VanDerWaalsContact O-N 3.15Å; V73-I95 CarbonylContact C-O 3.53Å; V73-I95 VanDerWaalsContact CA-O 3.23Å; V73-I95 WeakPolarHBondContact CA-O 3.05Å; V73-I95 HydrophobicContact CB-CB 3.94Å; V73-I95 HydrophobicContact CB-CG2 4.45Å; V73-I95 HydrophobicContact CG1-CB 3.41Å; V73-I95 VanDerWaalsContact CG1-CB 3.41Å; V73-I95 HydrophobicContact CG1-CG2 3.41Å; V73-I95 VanDerWaalsContact CG1-CG2 3.41Å; V73-I95 WeakPolarHBondContact CG1-O 3.21Å; V73-I95 HydrophobicContact CG2-CB 4.08Å; V73-I95 HydrophobicContact CG2-CD1 4.02Å; V74-I95 PolarHBondContact N-O 2.94Å; I95-I97 HydrophobicContact CG2-CG1 4.43Å
96	N	86.5	Confident	79.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.3	-178.1	-68.5	-102.2	0	0	0	109	W81 L91 R94 H110 T111 M112	W81-N96 HydrophobicContact CH2-CB 4.26Å; W81-N96 HydrophobicContact CZ3-CB 3.98Å; L91-N96 VanDerWaalsContact CB-OD1 3.3Å; L91-N96 WeakPolarHBondContact CB-OD1 3.46Å; L91-N96 WeakPolarHBondContact CG-OD1 3.21Å; L91-N96 PolarHBondContact N-ND2 3.15Å; L91-N96 PolarHBondContact N-OD1 3.47Å; L91-N96 PolarHBondContact O-ND2 2.87Å; L91-N96 VanDerWaalsContact O-ND2 3.13Å; R94-N96 PolarHBondContact O-ND2 3.44Å; R94-N96 VanDerWaalsContact O-ND2 3.13Å; N96-H110 PolarHBondContact N-O 3.19Å; N96-H110 VanDerWaalsContact N-O 3.13Å; N96-T111 CarbonylContact O-C 3.38Å; N96-T111 WeakPolarHBondContact O-CA 3.28Å; N96-M112 PolarHBondContact O-N 3.17Å
97	I	85.4	Confident	78.4	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.4	173.8	-51.4	-157.5	0	0	0	109	A9 V10 V73 V74 I75 M76 I95 L99 M112 V114	A9-I97 WeakPolarHBondContact O-CB 3.3Å; A9-I97 WeakPolarHBondContact O-CG2 3.33Å; V10-I97 HydrophobicContact CG2-CB 4.38Å; V10-I97 HydrophobicContact CG2-CG1 4.17Å; V73-I97 HydrophobicContact CG1-CD1 3.93Å; V73-I97 HydrophobicContact CG1-CG1 3.82Å; V74-I97 PolarHBondContact O-N 2.98Å; I75-I97 WeakPolarHBondContact CA-O 3.38Å; M76-I97 PolarHBondContact N-O 3.2Å; I95-I97 HydrophobicContact CG2-CG1 4.43Å; I97-L99 HydrophobicContact CG2-CD2 3.87Å; I97-M112 WeakPolarHBondContact CA-O 3.37Å; I97-M112 HydrophobicContact CD1-CE 3.81Å; I97-M112 HydrophobicContact CG1-CB 4.37Å; I97-V114 HydrophobicContact CG2-CG2 3.7Å
98	V	85.1	Confident	77.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.5	177.9	-176.3	0	0	0	0	107	M76 R78 W81 T111 M112 H113 V114	M76-V98 HydrophobicContact CG-CG2 4.25Å; M76-V98 WeakPolarHBondContact O-CA 3.45Å; R78-V98 HydrophobicContact CB-CG1 4.37Å; W81-V98 HydrophobicContact CB-CG1 3.94Å; W81-V98 HydrophobicContact CB-CG2 3.97Å; W81-V98 HydrophobicContact CD2-CG2 3.54Å; W81-V98 HydrophobicContact CE3-CG2 3.66Å; W81-V98 HydrophobicContact CG-CG1 4.2Å; W81-V98 HydrophobicContact CG-CG2 3.71Å; W81-V98 HydrophobicContact CZ3-CG2 4.23Å; V98-T111 HydrophobicContact CG2-CG2 3.82Å; V98-M112 PolarHBondContact N-O 2.96Å; V98-H113 VanDerWaalsContact O-CA 3.28Å; V98-H113 WeakPolarHBondContact O-CA 3.28Å; V98-V114 PolarHBondContact O-N 3.11Å
99	L	84	Confident	76	Confident	29 Å²	29	69.3 Å²	69.3	15%	0.152	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	158.4	167.4	-21.1	176.4	0	0	0	111	M7 L8 A9 I97 V114	M7-L99 HydrophobicContact CB-CD1 4.27Å; M7-L99 HydrophobicContact CE-CB 3.42Å; M7-L99 VanDerWaalsContact CE-CB 3.42Å; M7-L99 HydrophobicContact CE-CG 3.82Å; M7-L99 WeakPolarHBondContact CE-O 3.48Å; M7-L99 HydrophobicContact CG-CB 3.66Å; M7-L99 HydrophobicContact CG-CD1 3.72Å; M7-L99 HydrophobicContact CG-CG 3.87Å; M7-L99 VanDerWaalsContact SD-C 3.51Å; M7-L99 HydrophobicContact SD-CB 3.93Å; L8-L99 VanDerWaalsContact N-CD1 3.34Å; L8-L99 WeakPolarHBondContact O-CD1 3.47Å; L8-L99 WeakPolarHBondContact O-CD2 3.48Å; L8-L99 WeakPolarHBondContact O-CG 3.08Å; A9-L99 HydrophobicContact CB-CD2 4.09Å; I97-L99 HydrophobicContact CG2-CD2 3.87Å; L99-V114 CarbonylContact C-O 3.57Å; L99-V114 VanDerWaalsContact CA-O 3.25Å; L99-V114 WeakPolarHBondContact CA-O 3.45Å; L99-V114 HydrophobicContact CB-CB 4.41Å; L99-V114 HydrophobicContact CD2-CB 3.51Å; L99-V114 HydrophobicContact CD2-CG1 4.13Å; L99-V114 HydrophobicContact CD2-CG2 3.83Å
100	S	81.4	Confident	74.9	Confident	16 Å²	16	74.9 Å²	74.9	11%	0.112	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	153.5	171.2	-178.4	0	0	0	0	107.2	E102 V114 T115	S100-E102 VanDerWaalsContact C-N 3.26Å; S100-E102 WeakPolarHBondContact CB-O 3.34Å; S100-E102 PolarHBondContact OG-N 2.94Å; S100-E102 PolarHBondContact OG-O 2.82Å; S100-V114 PolarHBondContact N-O 3.42Å; S100-V114 VanDerWaalsContact O-O 3.14Å; S100-T115 VanDerWaalsContact O-CA 3.27Å; S100-T115 WeakPolarHBondContact O-CA 3.02Å
101	R	76.9	Confident	73.9	Confident	115 Å²	115	74.1 Å²	74.1	43%	0.434	36%	0.359	S	S	.	.	S	Bend	trans	-75.8	-22.7	168.9	-62.6	-165.3	-178.8	99.9	9.3	112.3	W4 R5	W4-R101 VanDerWaalsContact CE3-NH2 3.35Å; R5-R101 PolarHBondContact O-NH2 3.49Å
102	E	71.6	Confident	73	Confident	118 Å²	118	76.9 Å²	76.9	55%	0.551	37%	0.372	S	S	*	.	S	Bend	trans	-115.1	122.9	177.8	-70.6	167.8	-158.2	0	0	108.3	S100 K104	S100-E102 VanDerWaalsContact C-N 3.26Å; S100-E102 WeakPolarHBondContact CB-O 3.34Å; S100-E102 PolarHBondContact OG-N 2.94Å; S100-E102 PolarHBondContact OG-O 2.82Å; E102-K104 PolarHBondContact O-N 3.34Å
103	Y	64.8	Low	72.2	Confident	85 Å²	85	69.7 Å²	69.7	33%	0.333	34%	0.341	S	S	.	.			trans	-75.7	110.2	172.1	-173.9	-94.7	0	0	0	108.4	H113 T115	Y103-H113 HydrophobicContact CD2-CB 3.77Å; Y103-H113 HydrophobicContact CE2-CB 3.62Å; Y103-T115 HydrophobicContact CD2-CG2 4.17Å; Y103-T115 HydrophobicContact CG-CG2 4.48Å
104	K	64.7	Low	71.4	Confident	144 Å²	144	69.9 Å²	69.9	63%	0.626	33%	0.33	S	S	*	.			trans	-112	123.5	165.2	-68.2	-168.9	178.5	-170.9	0	106.3	E102 D106	E102-K104 PolarHBondContact O-N 3.34Å; K104-D106 PolarHBondContact O-N 2.84Å
105	Y	57.6	Low	70.3	Confident	181 Å²	181	69.9 Å²	69.9	71%	0.71	33%	0.333	S	S	*	.			trans	-60.9	125.4	178.5	-177.2	-96.8	0	0	0	109.2	A107	Y105-A107 HydrophobicContact CE1-CB 4.09Å
106	D	63.2	Low	68.9	Low	35 Å²	35	75.7 Å²	75.7	19%	0.187	36%	0.358	C	S	.	.			trans	-113.4	124.5	171.6	-163.8	-18	0	0	0	107.5	W81 K104 H108 H113	W81-D106 PolarHBondContact NE1-OD2 2.87Å; K104-D106 PolarHBondContact O-N 2.84Å; D106-H108 PolarHBondContact O-N 3.34Å; D106-H108 IonicContact OD1-CD2 2.87Å; D106-H108 PolarHBondContact OD1-CD2 3.17Å; D106-H108 IonicContact OD1-CG 3.48Å; D106-H108 IonicContact OD1-NE2 3.63Å; D106-H108 IonicContact OD2-CD2 3.55Å; D106-H113 WeakPolarHBondContact CB-NE2 3.43Å
107	A	59.8	Low	67.3	Low	76 Å²	76	85.5 Å²	85.5	63%	0.628	40%	0.395	S	S	*	.			trans	-75.2	-0.5	-172.6	0	0	0	0	0	113.3	Y105 K109	Y105-A107 HydrophobicContact CE1-CB 4.09Å; A107-K109 PolarHBondContact O-N 3.33Å
108	H	63.6	Low	65.4	Low	70 Å²	70	91.8 Å²	91.8	32%	0.324	44%	0.439	S	S	.	.			trans	-74.2	111.8	-177.9	-65.8	-49.9	0	0	0	112.6	P90 D106 H110 T111	P90-H108 HydrophobicContact CG-CB 4.38Å; D106-H108 PolarHBondContact O-N 3.34Å; D106-H108 IonicContact OD1-CD2 2.87Å; D106-H108 PolarHBondContact OD1-CD2 3.17Å; D106-H108 IonicContact OD1-CG 3.48Å; D106-H108 IonicContact OD1-NE2 3.63Å; D106-H108 IonicContact OD2-CD2 3.55Å; H108-H110 PolarHBondContact O-N 3.14Å; H108-T111 WeakPolarHBondContact O-CB 3.45Å; H108-T111 PolarHBondContact O-N 3.31Å; H108-T111 PolarHBondContact O-OG1 2.8Å
109	K	54.7	Low	63.6	Low	180 Å²	180	94.5 Å²	94.5	78%	0.783	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	134.5	170.7	-65.4	-176.4	177.7	-176.6	0	110.5	A107	A107-K109 PolarHBondContact O-N 3.33Å
110	H	60.4	Low	61.8	Low	143 Å²	143	97.1 Å²	97.1	66%	0.662	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	16.2	-177.5	-45.8	81.4	0	0	0	116.9	N96 H108	N96-H110 PolarHBondContact N-O 3.19Å; N96-H110 VanDerWaalsContact N-O 3.13Å; H108-H110 PolarHBondContact O-N 3.14Å
111	T	65.1	Low	60.1	Low	20 Å²	20	98 Å²	98	12%	0.123	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.8	169.7	-48.3	0	0	0	0	109.7	W81 N96 V98 H108	W81-T111 HydrophobicContact CH2-CG2 3.88Å; W81-T111 HydrophobicContact CZ2-CG2 3.76Å; N96-T111 CarbonylContact O-C 3.38Å; N96-T111 WeakPolarHBondContact O-CA 3.28Å; V98-T111 HydrophobicContact CG2-CG2 3.82Å; H108-T111 WeakPolarHBondContact O-CB 3.45Å; H108-T111 PolarHBondContact O-N 3.31Å; H108-T111 PolarHBondContact O-OG1 2.8Å
112	M	66.6	Low	58.5	Low	80 Å²	80	100 Å²	100	39%	0.394	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.4	172.8	-66.9	-145.5	-63.4	0	0	110.4	N96 I97 V98	N96-M112 PolarHBondContact O-N 3.17Å; I97-M112 WeakPolarHBondContact CA-O 3.37Å; I97-M112 HydrophobicContact CD1-CE 3.81Å; I97-M112 HydrophobicContact CG1-CB 4.37Å; V98-M112 PolarHBondContact N-O 2.96Å
113	H	67.6	Low	57.1	Low	32 Å²	32	101.4 Å²	101.4	15%	0.148	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.9	173	-72.2	-81.5	0	0	0	110.6	V98 Y103 D106	V98-H113 VanDerWaalsContact O-CA 3.28Å; V98-H113 WeakPolarHBondContact O-CA 3.28Å; Y103-H113 HydrophobicContact CD2-CB 3.77Å; Y103-H113 HydrophobicContact CE2-CB 3.62Å; D106-H113 WeakPolarHBondContact CB-NE2 3.43Å
114	V	66.8	Low	56.1	Low	65 Å²	65	103.7 Å²	103.7	39%	0.394	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122	176.4	-176.4	0	0	0	0	108.8	I97 V98 L99 S100	I97-V114 HydrophobicContact CG2-CG2 3.7Å; V98-V114 PolarHBondContact O-N 3.11Å; L99-V114 CarbonylContact C-O 3.57Å; L99-V114 VanDerWaalsContact CA-O 3.25Å; L99-V114 WeakPolarHBondContact CA-O 3.45Å; L99-V114 HydrophobicContact CB-CB 4.41Å; L99-V114 HydrophobicContact CD2-CB 3.51Å; L99-V114 HydrophobicContact CD2-CG1 4.13Å; L99-V114 HydrophobicContact CD2-CG2 3.83Å; S100-V114 PolarHBondContact N-O 3.42Å; S100-V114 VanDerWaalsContact O-O 3.14Å
115	T	64.5	Low	55	Low	22 Å²	22	102.2 Å²	102.2	14%	0.135	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.3	175.3	164.1	0	0	0	0	111.2	S100 Y103 R117 A121	S100-T115 VanDerWaalsContact O-CA 3.27Å; S100-T115 WeakPolarHBondContact O-CA 3.02Å; Y103-T115 HydrophobicContact CD2-CG2 4.17Å; Y103-T115 HydrophobicContact CG-CG2 4.48Å; T115-R117 PolarHBondContact OG1-N 3.21Å; T115-R117 VanDerWaalsContact OG1-N 3.16Å; T115-A121 HydrophobicContact CG2-CB 3.69Å
116	H	57	Low	53.7	Low	174 Å²	174	103 Å²	103	81%	0.806	54%	0.537	S	S	*	.	S	Bend	trans	-84.2	-9.3	178.3	-132.6	-86.6	0	0	0	113
117	R	53	Low	52.3	Low	207 Å²	207	112.8 Å²	112.8	78%	0.781	58%	0.582	S	S	*	*	S	Bend	trans	-85.7	112.7	170.6	-72.3	-165.3	-173.1	-169	3.9	108.7	T115 G119	T115-R117 PolarHBondContact OG1-N 3.21Å; T115-R117 VanDerWaalsContact OG1-N 3.16Å; R117-G119 PolarHBondContact O-N 2.85Å
118	S	45.3	Very low	52	Low	135 Å²	135	114.7 Å²	114.7	94%	0.944	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	17	-165.8	47.2	0	0	0	0	117.9
119	G	46.6	Very low	51.3	Low	58 Å²	58	117 Å²	117	60%	0.598	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-45.4	-167.8	0	0	0	0	0	116.9	R117	R117-G119 PolarHBondContact O-N 2.85Å
120	T	46.5	Very low	51.2	Low	84 Å²	84	113.5 Å²	113.5	52%	0.515	58%	0.583	S	S	.	*	S	Bend	trans	-138	-1.6	-150.7	49.4	0	0	0	0	116.7	L122	T120-L122 PolarHBondContact O-N 3.07Å
121	A	45.9	Very low	50.6	Low	35 Å²	35	111.8 Å²	111.8	29%	0.289	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-20.4	-177	0	0	0	0	0	114.6	T115	T115-A121 HydrophobicContact CG2-CB 3.69Å
122	L	43.4	Very low	49.7	Very low	156 Å²	156	117.5 Å²	117.5	82%	0.817	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-7	-174.4	-79.4	165.8	0	0	0	114.6	T120	T120-L122 PolarHBondContact O-N 3.07Å
123	Q	42.5	Very low	48.6	Very low	148 Å²	148	120 Å²	120	69%	0.692	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-13.7	-174.3	-90.1	175.2	-18.7	0	0	115.3
124	H	42.8	Very low	47.2	Very low	132 Å²	132	126.3 Å²	126.3	61%	0.611	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	17.3	-176.9	-71.9	-72.9	0	0	0	114.7
125	L	42.8	Very low	45.7	Very low	113 Å²	113	131 Å²	131	59%	0.592	68%	0.675	S	S	*	*	S	Bend	trans	-95	5	176.8	-105.2	145.5	0	0	0	113.8
126	F	29.6	Very low	44.1	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.864	72%	0.72	S	S	*	*			trans	-140.9	54	176.3	-71	-75.2	0	0	0	112.9
127	Q	34.4	Very low	43	Very low	242 Å²	242	137 Å²	137	100%	1.131	71%	0.712	S	S	*	*			trans	-131.3	0	156.7	-78.9	-178.4	-9	0	0	109.2

Retrieved 127 of 127 residues in 52.4 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).