A0A5K4F9B7_SCHMA Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F9B7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 aa.

						>A0A5K4F9B7_SCHMA|A0A5K4F9B7
MSKVFGFFKKTGFNSYGLGIRFFTTTSGCLVEEPIVLSKLKRGTGGRASFNGITVTVFGGTGYLGRNLMAQLAKTGTQIILPYRCDPHMIRDVKVIGDLGQVLFLPGYACSQFLVDFIT
					

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	32.7	Very low	44.2	Very low	239 Å²	239	131.8 Å²	131.8	100%	1.177	67%	0.666	S	S	*	*				0	94.6	0	-68.9	158.7	103.4	0	0	106.9	K3	M1-K3 PolarHBondContact O-N 3.5Å; M1-K3 VanDerWaalsContact O-N 3.11Å
2	S	36.9	Very low	43.8	Very low	98 Å²	98	126.1 Å²	126.1	69%	0.685	66%	0.664	S	S	*	*			trans	-62.7	116.9	176.8	-66.9	0	0	0	0	108.1	V4	S2-V4 PolarHBondContact O-N 3.08Å
3	K	38.2	Very low	44.1	Very low	193 Å²	193	132.2 Å²	132.2	84%	0.839	68%	0.683	S	S	*	*			trans	-58.9	108.7	172.9	-75.3	171.7	175.7	168.7	0	106.6	M1 F5	M1-K3 PolarHBondContact O-N 3.5Å; M1-K3 VanDerWaalsContact O-N 3.11Å; K3-F5 PolarHBondContact O-N 3.42Å
4	V	46.1	Very low	43.6	Very low	90 Å²	90	133.4 Å²	133.4	55%	0.545	69%	0.691	S	S	.	*			trans	-63.8	93.8	169.1	170.3	0	0	0	0	106.1	S2 G6	S2-V4 PolarHBondContact O-N 3.08Å; V4-G6 PolarHBondContact O-N 3.21Å
5	F	44.8	Very low	43.9	Very low	165 Å²	165	130.7 Å²	130.7	72%	0.724	69%	0.688	S	S	*	*			trans	-76.6	82.9	175.2	-153.7	-97.2	0	0	0	107.2	K3 F7 T26	K3-F5 PolarHBondContact O-N 3.42Å; F5-F7 PolarHBondContact O-N 3.4Å; F5-T26 VanDerWaalsContact O-O 3.05Å
6	G	47.2	Very low	44	Very low	45 Å²	45	136.4 Å²	136.4	46%	0.464	70%	0.699	S	S	.	*	B	Isolated β-bridge	trans	-66.6	97.4	178	0	0	0	0	0	109.9	V4 F8	V4-G6 PolarHBondContact O-N 3.21Å; G6-F8 PolarHBondContact O-N 2.93Å
7	F	47.7	Very low	43.9	Very low	123 Å²	123	133.8 Å²	133.8	54%	0.539	72%	0.715	S	S	.	*			trans	-77.3	106.9	173.7	-176.5	-101.8	0	0	0	109.5	F5 K9 T26	F5-F7 PolarHBondContact O-N 3.4Å; F7-K9 HydrophobicContact CD1-CB 4Å; F7-K9 HydrophobicContact CE1-CB 3.94Å; F7-K9 HydrophobicContact CE1-CD 4.36Å; F7-K9 HydrophobicContact CE1-CG 4.13Å; F7-K9 PolarHBondContact O-N 3.23Å; F7-T26 PolarHBondContact O-OG1 3.24Å
8	F	50.1	Low	44.1	Very low	104 Å²	104	134.8 Å²	134.8	46%	0.456	72%	0.719	S	S	.	*			trans	-68.1	92.5	172.5	178.5	-103.8	0	0	0	110	G6 K10	G6-F8 PolarHBondContact O-N 2.93Å; F8-K10 HydrophobicContact CD1-CB 4.36Å; F8-K10 HydrophobicContact CE1-CB 3.82Å; F8-K10 HydrophobicContact CE1-CD 4.47Å; F8-K10 HydrophobicContact CE1-CG 4.22Å; F8-K10 HydrophobicContact CZ-CB 4.47Å; F8-K10 PolarHBondContact O-N 3.15Å
9	K	48	Very low	44.3	Very low	131 Å²	131	131.3 Å²	131.3	57%	0.57	72%	0.718	S	S	*	*			trans	-83.6	96.1	174	-164.9	163	-178.4	176	0	109.9	F7 T11	F7-K9 HydrophobicContact CD1-CB 4Å; F7-K9 HydrophobicContact CE1-CB 3.94Å; F7-K9 HydrophobicContact CE1-CD 4.36Å; F7-K9 HydrophobicContact CE1-CG 4.13Å; F7-K9 PolarHBondContact O-N 3.23Å; K9-T11 HydrophobicContact CG-CG2 4.39Å; K9-T11 PolarHBondContact O-N 2.82Å
10	K	46.9	Very low	44.4	Very low	160 Å²	160	130.8 Å²	130.8	70%	0.696	71%	0.713	S	S	*	*			trans	-66.1	92.1	168.8	-164.8	179	-176.4	-176.5	0	109.1	F8 G12	F8-K10 HydrophobicContact CD1-CB 4.36Å; F8-K10 HydrophobicContact CE1-CB 3.82Å; F8-K10 HydrophobicContact CE1-CD 4.47Å; F8-K10 HydrophobicContact CE1-CG 4.22Å; F8-K10 HydrophobicContact CZ-CB 4.47Å; F8-K10 PolarHBondContact O-N 3.15Å; K10-G12 PolarHBondContact O-N 2.96Å; K10-G12 VanDerWaalsContact O-N 3.15Å
11	T	47.2	Very low	44.5	Very low	102 Å²	102	132.9 Å²	132.9	63%	0.626	71%	0.711	S	S	*	*			trans	-76.6	99.6	169	51.4	0	0	0	0	108.4	K9 F13	K9-T11 HydrophobicContact CG-CG2 4.39Å; K9-T11 PolarHBondContact O-N 2.82Å; T11-F13 PolarHBondContact O-N 2.95Å
12	G	40.3	Very low	45.4	Very low	63 Å²	63	124 Å²	124	65%	0.649	67%	0.666	S	S	*	*			trans	-75.8	114.9	173.6	0	0	0	0	0	110.9	K10	K10-G12 PolarHBondContact O-N 2.96Å; K10-G12 VanDerWaalsContact O-N 3.15Å
13	F	47.6	Very low	46.3	Very low	206 Å²	206	126 Å²	126	90%	0.904	66%	0.662	S	S	*	*			trans	-109.5	105.8	153.4	-97	-90.5	0	0	0	108	T11	T11-F13 PolarHBondContact O-N 2.95Å
14	N	37.2	Very low	46.8	Very low	149 Å²	149	118.3 Å²	118.3	80%	0.797	63%	0.631	S	S	*	*			trans	-56	143.5	155.8	-73.6	-73.8	0	0	0	107.9
15	S	47.4	Very low	47.2	Very low	93 Å²	93	114.6 Å²	114.6	65%	0.65	61%	0.609	S	S	*	*	S	Bend	cis	-155.9	71.3	22.4	-64.2	0	0	0	0	110.4
16	Y	46.6	Very low	47.8	Very low	221 Å²	221	108 Å²	108	87%	0.867	58%	0.582	S	S	*	*	S	Bend	trans	-153	57	164.9	-69.3	-72.5	0	0	0	111.7	L18	Y16-L18 PolarHBondContact O-N 3.31Å
17	G	42.2	Very low	48.3	Very low	93 Å²	93	107.1 Å²	107.1	96%	0.959	57%	0.569	S	S	*	*	S	Bend	trans	51.9	-11.1	155.5	0	0	0	0	0	121.8	G19	G17-G19 PolarHBondContact O-N 2.9Å
18	L	47.7	Very low	48.4	Very low	152 Å²	152	102.6 Å²	102.6	80%	0.796	56%	0.557	S	S	*	*			trans	-102.6	74.2	-174.1	-126.9	102.1	0	0	0	106.6	Y16 I20	Y16-L18 PolarHBondContact O-N 3.31Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 2.95Å
19	G	46.7	Very low	48.2	Very low	68 Å²	68	101 Å²	101	70%	0.701	56%	0.558	S	S	*	*			trans	-68.1	87.7	176	0	0	0	0	0	110.3	G17 R21	G17-G19 PolarHBondContact O-N 2.9Å; G19-R21 PolarHBondContact O-N 2.98Å
20	I	46	Very low	48	Very low	121 Å²	121	101.6 Å²	101.6	62%	0.621	57%	0.567	S	S	*	*			trans	-67	103.9	166	-58.3	174.2	0	0	0	106.3	L18 F22 L64	L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 2.95Å; I20-F22 VanDerWaalsContact C-N 3.34Å; I20-F22 PolarHBondContact O-N 3Å; I20-L64 HydrophobicContact CG2-CD2 4.49Å
21	R	47	Very low	48.3	Very low	174 Å²	174	99.2 Å²	99.2	66%	0.657	57%	0.565	S	S	*	*			trans	-72	89.8	175.3	-62.1	-74.4	-90	-111.2	-1.9	107.5	G19	G19-R21 PolarHBondContact O-N 2.98Å
22	F	51.5	Low	48.4	Very low	53 Å²	53	103.2 Å²	103.2	23%	0.232	58%	0.577	C	S	.	*			trans	-78.3	122.7	174.8	-149.4	-91.8	0	0	0	109.5	I20 T24 V57 L64 L68	I20-F22 VanDerWaalsContact C-N 3.34Å; I20-F22 PolarHBondContact O-N 3Å; F22-T24 HydrophobicContact CD1-CG2 3.75Å; F22-T24 HydrophobicContact CE1-CG2 4.25Å; F22-T24 PolarHBondContact O-N 3.23Å; F22-V57 HydrophobicContact CE1-CG1 4.02Å; F22-V57 HydrophobicContact CZ-CG1 3.81Å; F22-L64 HydrophobicContact CD2-CD2 4.11Å; F22-L64 HydrophobicContact CE2-CD2 4.43Å; F22-L68 HydrophobicContact CD1-CD1 3.96Å; F22-L68 HydrophobicContact CD2-CD1 4.08Å; F22-L68 HydrophobicContact CE1-CD1 3.93Å; F22-L68 HydrophobicContact CE2-CD1 4.07Å; F22-L68 HydrophobicContact CG-CD1 4.03Å; F22-L68 HydrophobicContact CZ-CD1 4Å
23	F	55.2	Low	48.7	Very low	140 Å²	140	106.4 Å²	106.4	61%	0.614	58%	0.575	S	S	*	*			trans	-80.2	90.2	171.9	-65.9	-88.6	0	0	0	108.4	T25	F23-T25 PolarHBondContact O-N 2.98Å
24	T	49.5	Very low	48.6	Very low	31 Å²	31	102.2 Å²	102.2	19%	0.19	57%	0.568	C	S	.	*			trans	-87	100.9	163.3	47.2	0	0	0	0	108.5	F22 T26 V55	F22-T24 HydrophobicContact CD1-CG2 3.75Å; F22-T24 HydrophobicContact CE1-CG2 4.25Å; F22-T24 PolarHBondContact O-N 3.23Å; T24-T26 PolarHBondContact O-N 3.28Å; T24-V55 HydrophobicContact CG2-CG1 4.31Å
25	T	54.5	Low	49.5	Very low	13 Å²	13	99.4 Å²	99.4	8%	0.08	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	93.6	177.1	68.2	0	0	0	0	107	F23 S27 F117	F23-T25 PolarHBondContact O-N 2.98Å; T25-S27 PolarHBondContact O-N 3.38Å; T25-F117 HydrophobicContact CG2-CD1 4.38Å; T25-F117 HydrophobicContact CG2-CD2 4.01Å; T25-F117 HydrophobicContact CG2-CE1 3.64Å; T25-F117 HydrophobicContact CG2-CE2 3.2Å; T25-F117 HydrophobicContact CG2-CZ 3.01Å
26	T	57.5	Low	49.8	Very low	25 Å²	25	100.2 Å²	100.2	15%	0.153	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.9	100.7	170.9	47.1	0	0	0	0	107.1	F5 F7 T24 G28 I53 T54 V55	F5-T26 VanDerWaalsContact O-O 3.05Å; F7-T26 PolarHBondContact O-OG1 3.24Å; T24-T26 PolarHBondContact O-N 3.28Å; T26-G28 PolarHBondContact O-N 2.92Å; T26-I53 HydrophobicContact CG2-CG2 3.52Å; T26-T54 WeakPolarHBondContact CA-O 3.3Å; T26-V55 HydrophobicContact CG2-CG2 3.52Å
27	S	57.1	Low	49.9	Very low	27 Å²	27	97.7 Å²	97.7	19%	0.189	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.5	104	163.9	55.1	0	0	0	0	106.3	T25 C29 T54	T25-S27 PolarHBondContact O-N 3.38Å; S27-C29 VanDerWaalsContact C-N 3.3Å; S27-C29 PolarHBondContact O-N 2.96Å; S27-T54 PolarHBondContact N-O 3.24Å; S27-T54 VanDerWaalsContact N-O 3.16Å; S27-T54 PolarHBondContact O-N 3.32Å
28	G	51.3	Low	50.5	Low	28 Å²	28	98.9 Å²	98.9	29%	0.289	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	96.9	162.6	0	0	0	0	0	107	T26 L30	T26-G28 PolarHBondContact O-N 2.92Å; G28-L30 PolarHBondContact O-N 2.99Å
29	C	44.1	Very low	50.7	Low	71 Å²	71	97.2 Å²	97.2	48%	0.48	53%	0.533	S	S	.	.			trans	-76.1	76.7	160.4	-164.5	0	0	0	0	105.7	S27 V31	S27-C29 VanDerWaalsContact C-N 3.3Å; S27-C29 PolarHBondContact O-N 2.96Å; C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 3.34Å
30	L	45.2	Very low	50.9	Low	144 Å²	144	100.3 Å²	100.3	75%	0.754	53%	0.533	S	S	*	.			trans	-63.6	104.6	163	-62.1	-170.6	0	0	0	104.7	G28 E32	G28-L30 PolarHBondContact O-N 2.99Å; L30-E32 PolarHBondContact O-N 3.33Å
31	V	52.6	Low	51.5	Low	109 Å²	109	104.1 Å²	104.1	66%	0.661	55%	0.545	S	S	*	.			trans	-58.7	106.2	168.8	-179.5	0	0	0	0	105.1	C29 E33	C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 3.34Å; V31-E33 PolarHBondContact O-N 3.15Å; V31-E33 VanDerWaalsContact O-N 3.08Å
32	E	50.2	Low	52	Low	187 Å²	187	106.1 Å²	106.1	87%	0.874	55%	0.553	S	S	*	*			trans	-63.8	109.2	166.9	-67.7	-166.6	156.2	0	0	106.5	L30	L30-E32 PolarHBondContact O-N 3.33Å
33	E	45.7	Very low	52.3	Low	129 Å²	129	105.7 Å²	105.7	60%	0.603	56%	0.563	S	S	*	*			trans	-45.6	146	-177.8	-66.1	-75.6	155	0	0	113.4	V31	V31-E33 PolarHBondContact O-N 3.15Å; V31-E33 VanDerWaalsContact O-N 3.08Å
34	P	45.1	Very low	52.8	Low	118 Å²	118	104.6 Å²	104.6	77%	0.766	57%	0.568	S	S	*	*				-154.3	105.7	86.1	36.7	-15.2	0	0	0	115.1
35	I	56.5	Low	53.7	Low	91 Å²	91	104.8 Å²	104.8	47%	0.467	58%	0.577	S	S	.	*	S	Bend	trans	-140.2	84.5	153.9	48.3	160.6	0	0	0	111.7	K39 L40	I35-K39 HydrophobicContact CD1-CD 4.43Å; I35-K39 VanDerWaalsContact O-CB 3.29Å; I35-K39 WeakPolarHBondContact O-CB 3.45Å; I35-L40 HydrophobicContact CD1-CD1 4.15Å; I35-L40 HydrophobicContact CD1-CG 4.48Å; I35-L40 HydrophobicContact CG1-CD1 4.39Å
36	V	53.7	Low	55	Low	109 Å²	109	106 Å²	106	66%	0.661	59%	0.592	S	S	*	*			trans	36.8	84.9	149.6	-60.4	0	0	0	0	118.1	S38 K39	V36-S38 PolarHBondContact O-N 2.72Å; V36-K39 HydrophobicContact CG2-CD 3.88Å; V36-K39 WeakPolarHBondContact O-CB 3.29Å
37	L	49	Very low	56.3	Low	169 Å²	169	110.4 Å²	110.4	89%	0.885	61%	0.606	S	S	*	*	S	Bend	trans	74.2	-89.9	139.5	-159.6	67.1	0	0	0	121.1	K39	L37-K39 PolarHBondContact O-N 2.9Å
38	S	55.2	Low	57.6	Low	117 Å²	117	113.5 Å²	113.5	82%	0.818	63%	0.633	S	S	*	*	S	Bend	trans	-83.3	6.8	176.8	35.4	0	0	0	0	111	V36	V36-S38 PolarHBondContact O-N 2.72Å
39	K	50.4	Low	59.2	Low	117 Å²	117	113 Å²	113	51%	0.509	63%	0.625	S	S	.	*	S	Bend	trans	-89.4	123.5	162.5	-74.5	170.8	-178.4	168.3	0	108.7	I35 V36 L37	I35-K39 HydrophobicContact CD1-CD 4.43Å; I35-K39 VanDerWaalsContact O-CB 3.29Å; I35-K39 WeakPolarHBondContact O-CB 3.45Å; V36-K39 HydrophobicContact CG2-CD 3.88Å; V36-K39 WeakPolarHBondContact O-CB 3.29Å; L37-K39 PolarHBondContact O-N 2.9Å
40	L	52.5	Low	61	Low	134 Å²	134	115.3 Å²	115.3	70%	0.702	63%	0.627	S	S	*	*	S	Bend	trans	83.6	26.7	167.8	-47.6	-171.1	0	0	0	119.4	I35 R42	I35-L40 HydrophobicContact CD1-CD1 4.15Å; I35-L40 HydrophobicContact CD1-CG 4.48Å; I35-L40 HydrophobicContact CG1-CD1 4.39Å; L40-R42 PolarHBondContact O-N 3.34Å
41	K	56.7	Low	62.6	Low	200 Å²	200	110 Å²	110	87%	0.87	60%	0.6	S	S	*	*			trans	-91.5	85.3	162.2	-158.1	177.5	-171.2	178.8	0	112.3
42	R	58	Low	63.9	Low	216 Å²	216	105.8 Å²	105.8	82%	0.815	58%	0.578	S	S	*	*			trans	-171.5	79.3	139.6	-143	169.2	-70.6	-161.8	-0.4	114.4	L40 S49	L40-R42 PolarHBondContact O-N 3.34Å; R42-S49 PolarHBondContact O-OG 3.07Å
43	G	57.6	Low	65.3	Low	44 Å²	44	100 Å²	100	45%	0.454	55%	0.553	S	S	.	*			trans	-98.1	140.3	147.7	0	0	0	0	0	109.9	F50	G43-F50 WeakPolarHBondContact CA-O 3.03Å
44	T	65.7	Low	67	Low	117 Å²	117	94.7 Å²	94.7	72%	0.718	53%	0.529	S	S	*	.			trans	102.4	30.3	-170.7	-155.1	0	0	0	0	117.8	S49	T44-S49 PolarHBondContact N-OG 3.44Å
45	G	68.4	Low	69	Low	36 Å²	36	89 Å²	89	37%	0.371	49%	0.492	S	S	.	.			trans	-104.5	72.9	166.8	0	0	0	0	0	114.2	S49	G45-S49 PolarHBondContact N-OG 3.32Å; G45-S49 WeakPolarHBondContact O-CB 2.96Å; G45-S49 PolarHBondContact O-N 3.27Å
46	G	83.1	Confident	70.3	Confident	39 Å²	39	85.1 Å²	85.1	40%	0.402	47%	0.472	S	S	.	.	S	Bend	trans	49.4	-144.5	170.6	0	0	0	0	0	115.5	K74 T75 G76	G46-K74 CarbonylContact C-O 3.41Å; G46-K74 VanDerWaalsContact CA-O 3.3Å; G46-K74 WeakPolarHBondContact CA-O 3.28Å; G46-T75 CarbonylContact O-C 3.52Å; G46-T75 VanDerWaalsContact O-O 3.08Å; G46-G76 WeakPolarHBondContact O-CA 3.44Å; G46-G76 PolarHBondContact O-N 3.25Å; G46-G76 VanDerWaalsContact O-N 3.12Å
47	R	84.1	Confident	71.8	Confident	117 Å²	117	80 Å²	80	44%	0.442	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-44.2	-176.7	-73.2	177.6	172.4	-86.2	-0.1	113.5	S49 A73 K74 I96	R47-S49 VanDerWaalsContact C-N 3.28Å; R47-S49 PolarHBondContact O-N 3.5Å; R47-A73 WeakPolarHBondContact CA-O 3.13Å; R47-K74 PolarHBondContact N-O 3.04Å; R47-I96 PolarHBondContact NH1-O 3.29Å
48	A	83.8	Confident	73.5	Confident	92 Å²	92	76.2 Å²	76.2	76%	0.76	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.4	-172.9	0	0	0	0	0	114.2	D98	A48-D98 WeakPolarHBondContact CA-OD2 3.21Å; A48-D98 PolarHBondContact N-OD2 3.42Å
49	S	85.1	Confident	74.8	Confident	18 Å²	18	73.1 Å²	73.1	13%	0.126	41%	0.405	C	S	.	.	S	Bend	trans	-105.3	158.7	175.9	-178.4	0	0	0	0	111.1	R42 T44 G45 R47 G76	R42-S49 PolarHBondContact O-OG 3.07Å; T44-S49 PolarHBondContact N-OG 3.44Å; G45-S49 PolarHBondContact N-OG 3.32Å; G45-S49 WeakPolarHBondContact O-CB 2.96Å; G45-S49 PolarHBondContact O-N 3.27Å; R47-S49 VanDerWaalsContact C-N 3.28Å; R47-S49 PolarHBondContact O-N 3.5Å; S49-G76 CarbonylContact O-C 3.59Å; S49-G76 WeakPolarHBondContact O-CA 3.32Å; S49-G76 VanDerWaalsContact O-O 3.09Å
50	F	82.4	Confident	76.4	Confident	118 Å²	118	67.8 Å²	67.8	52%	0.518	38%	0.383	S	S	.	.			trans	-102	115.4	173.8	-178.9	-109.8	0	0	0	110	G43 G52 Q78	G43-F50 WeakPolarHBondContact CA-O 3.03Å; F50-G52 VanDerWaalsContact CE1-CA 3.42Å; F50-G52 PolarHBondContact O-N 3.31Å; F50-Q78 HydrophobicContact CE2-CB 3.92Å
51	N	79.3	Confident	78	Confident	34 Å²	34	64.9 Å²	64.9	18%	0.182	37%	0.371	C	S	.	.			trans	-72.1	-10.6	179	-75.3	-30.9	0	0	0	114.9	I53 T75 G76 T77	N51-I53 HydrophobicContact CB-CB 4.49Å; N51-I53 PolarHBondContact O-N 3.02Å; N51-T75 VanDerWaalsContact ND2-CB 3.28Å; N51-T75 WeakPolarHBondContact ND2-CB 3.28Å; N51-T75 WeakPolarHBondContact ND2-CG2 3.47Å; N51-T75 PolarHBondContact ND2-O 2.87Å; N51-T75 PolarHBondContact OD1-O 3.03Å; N51-G76 PolarHBondContact N-O 3.47Å; N51-G76 VanDerWaalsContact ND2-C 3.28Å; N51-T77 PolarHBondContact ND2-N 3.31Å; N51-T77 PolarHBondContact ND2-OG1 2.78Å
52	G	79	Confident	79.5	Confident	20 Å²	20	57 Å²	57	21%	0.206	35%	0.346	C	S	.	.	S	Bend	trans	77.2	0.9	-168.7	0	0	0	0	0	114.4	F50	F50-G52 VanDerWaalsContact CE1-CA 3.42Å; F50-G52 PolarHBondContact O-N 3.31Å
53	I	79.9	Confident	80.9	Confident	66 Å²	66	56.4 Å²	56.4	34%	0.338	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.9	-179.9	-58.6	173.8	0	0	0	109.5	T26 N51 V55 T77 Q78	T26-I53 HydrophobicContact CG2-CG2 3.52Å; N51-I53 HydrophobicContact CB-CB 4.49Å; N51-I53 PolarHBondContact O-N 3.02Å; I53-V55 HydrophobicContact CG2-CG2 4.25Å; I53-T77 HydrophobicContact CB-CG2 4.12Å; I53-T77 HydrophobicContact CG2-CG2 3.98Å; I53-T77 VanDerWaalsContact O-CG2 3.23Å; I53-T77 WeakPolarHBondContact O-CG2 2.9Å; I53-Q78 PolarHBondContact O-N 3.12Å
54	T	82.3	Confident	82.3	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.098	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.4	174.2	-50.7	0	0	0	0	110	T26 S27 Q78 I80	T26-T54 WeakPolarHBondContact CA-O 3.3Å; S27-T54 PolarHBondContact N-O 3.24Å; S27-T54 VanDerWaalsContact N-O 3.16Å; S27-T54 PolarHBondContact O-N 3.32Å; T54-Q78 CarbonylContact C-O 3.6Å; T54-Q78 WeakPolarHBondContact CA-O 3.44Å; T54-Q78 HydrophobicContact CG2-CB 4.19Å; T54-Q78 HydrophobicContact CG2-CG 4.06Å; T54-Q78 PolarHBondContact OG1-OE1 3.22Å; T54-I80 HydrophobicContact CG2-CD1 3.44Å; T54-I80 VanDerWaalsContact CG2-CD1 3.44Å; T54-I80 HydrophobicContact CG2-CG1 3.75Å
55	V	85.8	Confident	83.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.5	-179.4	179.6	0	0	0	0	109.8	T24 T26 I53 V57 L72 T77 Q78 I79 I80	T24-V55 HydrophobicContact CG2-CG1 4.31Å; T26-V55 HydrophobicContact CG2-CG2 3.52Å; I53-V55 HydrophobicContact CG2-CG2 4.25Å; V55-V57 HydrophobicContact CG1-CG2 3.84Å; V55-L72 HydrophobicContact CB-CD1 4.27Å; V55-L72 HydrophobicContact CG1-CD1 3.93Å; V55-L72 HydrophobicContact CG2-CD1 4.37Å; V55-L72 HydrophobicContact CG2-CD2 4.49Å; V55-T77 HydrophobicContact CB-CG2 4.35Å; V55-T77 HydrophobicContact CG2-CG2 3.59Å; V55-Q78 PolarHBondContact N-O 3.18Å; V55-I79 CarbonylContact O-C 3.04Å; V55-I79 VanDerWaalsContact O-CA 3.29Å; V55-I79 WeakPolarHBondContact O-CA 3.21Å; V55-I80 PolarHBondContact O-N 3.26Å
56	T	84.4	Confident	84.4	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.049	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.8	168.5	-55	0	0	0	0	109.9	F58 I80 P82	T56-F58 HydrophobicContact CG2-CE2 4.2Å; T56-F58 HydrophobicContact CG2-CZ 4.34Å; T56-I80 CarbonylContact C-O 3.15Å; T56-I80 VanDerWaalsContact CA-O 3.32Å; T56-I80 WeakPolarHBondContact CA-O 3.23Å; T56-I80 HydrophobicContact CG2-CB 4.26Å; T56-I80 HydrophobicContact CG2-CG2 4.09Å; T56-P82 HydrophobicContact CG2-CG 4.23Å
57	V	85.3	Confident	84.8	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	32%	0.315	C	S	.	.			trans	-116.7	104.9	-178.7	-178.7	0	0	0	0	110	F22 V55 M69 L72 I79 I80 L81	F22-V57 HydrophobicContact CE1-CG1 4.02Å; F22-V57 HydrophobicContact CZ-CG1 3.81Å; V55-V57 HydrophobicContact CG1-CG2 3.84Å; V57-M69 HydrophobicContact CB-SD 3.86Å; V57-M69 HydrophobicContact CG1-CG 4.48Å; V57-M69 HydrophobicContact CG1-SD 4.18Å; V57-M69 HydrophobicContact CG2-SD 3.68Å; V57-L72 HydrophobicContact CG2-CD1 4.33Å; V57-I79 HydrophobicContact CB-CG2 4.41Å; V57-I79 HydrophobicContact CG2-CG2 3.83Å; V57-I80 PolarHBondContact N-O 3.14Å; V57-L81 HydrophobicContact CB-CD2 3.99Å; V57-L81 WeakPolarHBondContact O-CD2 3.41Å
58	F	84.8	Confident	85	Confident	90 Å²	90	54.6 Å²	54.6	40%	0.395	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	135.2	170.3	-65.7	-83.2	0	0	0	110.3	T56 P82 L114	T56-F58 HydrophobicContact CG2-CE2 4.2Å; T56-F58 HydrophobicContact CG2-CZ 4.34Å; F58-P82 HydrophobicContact CD1-CB 4.5Å; F58-P82 HydrophobicContact CD1-CG 3.5Å; F58-P82 HydrophobicContact CE1-CB 4.34Å; F58-P82 HydrophobicContact CE1-CG 3.6Å; F58-P82 HydrophobicContact CG-CG 4.24Å; F58-P82 HydrophobicContact CZ-CG 4.4Å; F58-L114 HydrophobicContact CE1-CD1 4.41Å; F58-L114 HydrophobicContact CZ-CD1 4.48Å
59	G	83.1	Confident	85.4	Confident	53 Å²	53	50.2 Å²	50.2	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	30.3	179.6	0	0	0	0	0	114.5	T61 G62	G59-T61 PolarHBondContact O-N 3.37Å; G59-G62 PolarHBondContact O-N 2.58Å; G59-G62 VanDerWaalsContact O-N 3.15Å
60	G	82.8	Confident	85.6	Confident	5 Å²	5	51 Å²	51	5%	0.052	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.1	-177.8	0	0	0	0	0	116	G65 R66	G60-G65 CarbonylContact O-C 3.45Å; G60-R66 PolarHBondContact O-N 3.48Å
61	T	86.2	Confident	86	Confident	73 Å²	73	51.4 Å²	51.4	45%	0.448	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.7	177.3	52	0	0	0	0	113.6	G59 R66 I90 V93	G59-T61 PolarHBondContact O-N 3.37Å; T61-R66 PolarHBondContact O-NE 3.11Å; T61-R66 VanDerWaalsContact O-NE 3.15Å; T61-I90 HydrophobicContact CG2-CG2 3.79Å; T61-V93 HydrophobicContact CG2-CG2 4.29Å
62	G	87.4	Confident	86.4	Confident	34 Å²	34	51.7 Å²	51.7	35%	0.351	28%	0.28	S	S	.	.	S	Bend	trans	-71.8	169.7	-179.2	0	0	0	0	0	113.7	G59 L64 G65 R66	G59-G62 PolarHBondContact O-N 2.58Å; G59-G62 VanDerWaalsContact O-N 3.15Å; G62-L64 PolarHBondContact O-N 2.96Å; G62-G65 PolarHBondContact O-N 3.47Å; G62-G65 VanDerWaalsContact O-N 3.15Å; G62-R66 PolarHBondContact O-N 3.16Å
63	Y	88	Confident	87	Confident	203 Å²	203	50.7 Å²	50.7	80%	0.796	27%	0.27	S	S	*	.	H	α-helix	trans	-55.1	-47.1	-178	178	-100.9	0	0	0	113.2	N67	Y63-N67 PolarHBondContact O-ND2 3.18Å
64	L	87.3	Confident	87.5	Confident	75 Å²	75	53.6 Å²	53.6	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-42.7	177.1	-178.7	61.1	0	0	0	111.4	I20 F22 G62 R66 N67 L68	I20-L64 HydrophobicContact CG2-CD2 4.49Å; F22-L64 HydrophobicContact CD2-CD2 4.11Å; F22-L64 HydrophobicContact CE2-CD2 4.43Å; G62-L64 PolarHBondContact O-N 2.96Å; L64-R66 PolarHBondContact O-N 3.37Å; L64-N67 PolarHBondContact O-N 3.18Å; L64-L68 HydrophobicContact CD1-CD1 4.1Å; L64-L68 HydrophobicContact CD1-CD2 4.39Å; L64-L68 HydrophobicContact CD1-CG 3.99Å; L64-L68 HydrophobicContact CD2-CD1 4.35Å; L64-L68 HydrophobicContact CG-CD1 3.78Å; L64-L68 HydrophobicContact CG-CG 4.13Å; L64-L68 WeakPolarHBondContact O-CB 3.46Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 2.99Å
65	G	89.6	Confident	87.7	Confident	4 Å²	4	56.2 Å²	56.2	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-55.4	-51.7	179.9	0	0	0	0	0	112.5	G60 G62 N67 L68 M69	G60-G65 CarbonylContact O-C 3.45Å; G62-G65 PolarHBondContact O-N 3.47Å; G62-G65 VanDerWaalsContact O-N 3.15Å; G65-N67 PolarHBondContact O-N 2.8Å; G65-L68 PolarHBondContact O-N 3.24Å; G65-M69 WeakPolarHBondContact O-CB 3.29Å; G65-M69 WeakPolarHBondContact O-CG 3.39Å; G65-M69 PolarHBondContact O-N 3.19Å
66	R	89.1	Confident	87.9	Confident	108 Å²	108	56.2 Å²	56.2	41%	0.408	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-43.8	179.9	-69.3	179	178.5	-138.2	-6.3	112.7	G60 T61 G62 L64 A70 D92	G60-R66 PolarHBondContact O-N 3.48Å; T61-R66 PolarHBondContact O-NE 3.11Å; T61-R66 VanDerWaalsContact O-NE 3.15Å; G62-R66 PolarHBondContact O-N 3.16Å; L64-R66 PolarHBondContact O-N 3.37Å; R66-A70 WeakPolarHBondContact O-CB 3.49Å; R66-A70 PolarHBondContact O-N 3.02Å; R66-D92 IonicContact NH2-OD2 3.85Å
67	N	90.1	Very high	88	Confident	85 Å²	85	56.2 Å²	56.2	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-68.6	-40.2	179.7	-74.6	-55.8	0	0	0	112.3	Y63 L64 G65 A70 Q71	Y63-N67 PolarHBondContact O-ND2 3.18Å; L64-N67 PolarHBondContact O-N 3.18Å; G65-N67 PolarHBondContact O-N 2.8Å; N67-A70 PolarHBondContact O-N 2.87Å; N67-Q71 PolarHBondContact O-N 2.97Å
68	L	89.6	Confident	88.2	Confident	44 Å²	44	58.6 Å²	58.6	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-47.9	174.9	-70.9	176.4	0	0	0	111.3	F22 L64 G65 A70 Q71 L72	F22-L68 HydrophobicContact CD1-CD1 3.96Å; F22-L68 HydrophobicContact CD2-CD1 4.08Å; F22-L68 HydrophobicContact CE1-CD1 3.93Å; F22-L68 HydrophobicContact CE2-CD1 4.07Å; F22-L68 HydrophobicContact CG-CD1 4.03Å; F22-L68 HydrophobicContact CZ-CD1 4Å; L64-L68 HydrophobicContact CD1-CD1 4.1Å; L64-L68 HydrophobicContact CD1-CD2 4.39Å; L64-L68 HydrophobicContact CD1-CG 3.99Å; L64-L68 HydrophobicContact CD2-CD1 4.35Å; L64-L68 HydrophobicContact CG-CD1 3.78Å; L64-L68 HydrophobicContact CG-CG 4.13Å; L64-L68 WeakPolarHBondContact O-CB 3.46Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 2.99Å; G65-L68 PolarHBondContact O-N 3.24Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 2.99Å; L68-Q71 PolarHBondContact O-N 2.98Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 2.93Å
69	M	91.6	Very high	88.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-41.1	178	-64.3	-84.4	-61.2	0	0	111.6	V57 G65 Q71 L72 A73 I79 L81 V93 I96 V102	V57-M69 HydrophobicContact CB-SD 3.86Å; V57-M69 HydrophobicContact CG1-CG 4.48Å; V57-M69 HydrophobicContact CG1-SD 4.18Å; V57-M69 HydrophobicContact CG2-SD 3.68Å; G65-M69 WeakPolarHBondContact O-CB 3.29Å; G65-M69 WeakPolarHBondContact O-CG 3.39Å; G65-M69 PolarHBondContact O-N 3.19Å; M69-Q71 VanDerWaalsContact C-N 3.31Å; M69-Q71 PolarHBondContact O-N 3.36Å; M69-L72 PolarHBondContact O-N 2.87Å; M69-A73 VanDerWaalsContact O-CB 3.23Å; M69-A73 WeakPolarHBondContact O-CB 3.16Å; M69-A73 PolarHBondContact O-N 3.34Å; M69-I79 HydrophobicContact CB-CD1 4.26Å; M69-I79 HydrophobicContact CE-CB 3.83Å; M69-I79 HydrophobicContact CE-CD1 3.6Å; M69-I79 HydrophobicContact CE-CG1 4.3Å; M69-I79 HydrophobicContact CE-CG2 3.42Å; M69-I79 VanDerWaalsContact CE-CG2 3.42Å; M69-I79 HydrophobicContact SD-CB 4.06Å; M69-I79 HydrophobicContact SD-CD1 3.74Å; M69-I79 HydrophobicContact SD-CG1 4.36Å; M69-I79 HydrophobicContact SD-CG2 3.12Å; M69-I79 WeakPolarHBondContact SD-CG2 3.12Å; M69-L81 HydrophobicContact CE-CD1 3.56Å; M69-L81 HydrophobicContact CE-CD2 3.78Å; M69-L81 HydrophobicContact CE-CG 3.79Å; M69-L81 HydrophobicContact SD-CD2 3.74Å; M69-L81 HydrophobicContact SD-CG 4.35Å; M69-V93 HydrophobicContact CE-CG1 3.75Å; M69-I96 HydrophobicContact CB-CD1 3.77Å; M69-I96 HydrophobicContact CB-CG2 3.89Å; M69-I96 HydrophobicContact CG-CD1 4.48Å; M69-V102 HydrophobicContact CE-CG1 4.16Å; M69-V102 HydrophobicContact CE-CG2 4.25Å
70	A	90.6	Very high	88.7	Confident	33 Å²	33	52.8 Å²	52.8	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-37.3	179.1	0	0	0	0	0	112.8	R66 N67 L68 K74 I96	R66-A70 WeakPolarHBondContact O-CB 3.49Å; R66-A70 PolarHBondContact O-N 3.02Å; N67-A70 PolarHBondContact O-N 2.87Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 2.99Å; A70-K74 PolarHBondContact O-N 3.42Å; A70-I96 HydrophobicContact CB-CG2 4.19Å
71	Q	89.4	Confident	89	Confident	128 Å²	128	53 Å²	53	60%	0.598	27%	0.268	S	S	*	.	H	α-helix	trans	-72.7	-42	175.4	-63.1	-64.3	-9.5	0	0	111.7	N67 L68 M69 A73 K74 T75	N67-Q71 PolarHBondContact O-N 2.97Å; L68-Q71 PolarHBondContact O-N 2.98Å; M69-Q71 VanDerWaalsContact C-N 3.31Å; M69-Q71 PolarHBondContact O-N 3.36Å; Q71-A73 PolarHBondContact O-N 2.81Å; Q71-K74 WeakPolarHBondContact O-CB 3.23Å; Q71-K74 PolarHBondContact O-N 3.28Å; Q71-T75 PolarHBondContact O-N 3.39Å; Q71-T75 PolarHBondContact O-OG1 3.11Å
72	L	88.8	Confident	89	Confident	39 Å²	39	50.7 Å²	50.7	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-40.1	177.1	-68.6	175.1	0	0	0	112.3	V55 V57 L68 M69 T75 G76 T77 I79	V55-L72 HydrophobicContact CB-CD1 4.27Å; V55-L72 HydrophobicContact CG1-CD1 3.93Å; V55-L72 HydrophobicContact CG2-CD1 4.37Å; V55-L72 HydrophobicContact CG2-CD2 4.49Å; V57-L72 HydrophobicContact CG2-CD1 4.33Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 2.93Å; M69-L72 PolarHBondContact O-N 2.87Å; L72-T75 PolarHBondContact O-N 3.27Å; L72-G76 PolarHBondContact O-N 2.95Å; L72-T77 VanDerWaalsContact O-CB 3.29Å; L72-T77 WeakPolarHBondContact O-CB 3.29Å; L72-T77 PolarHBondContact O-N 2.93Å; L72-T77 VanDerWaalsContact O-N 3.15Å; L72-T77 PolarHBondContact O-OG1 2.81Å; L72-I79 HydrophobicContact CB-CD1 3.9Å; L72-I79 HydrophobicContact CB-CG1 4.39Å
73	A	90.6	Very high	88.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-36.8	177.2	0	0	0	0	0	111.6	R47 M69 Q71 T75 G76 I79 I96 Q101	R47-A73 WeakPolarHBondContact CA-O 3.13Å; M69-A73 VanDerWaalsContact O-CB 3.23Å; M69-A73 WeakPolarHBondContact O-CB 3.16Å; M69-A73 PolarHBondContact O-N 3.34Å; Q71-A73 PolarHBondContact O-N 2.81Å; A73-T75 PolarHBondContact O-N 2.83Å; A73-G76 PolarHBondContact O-N 3.23Å; A73-I79 HydrophobicContact CB-CD1 4.45Å; A73-I96 HydrophobicContact CB-CG2 3.9Å; A73-I96 VanDerWaalsContact CB-O 3.23Å; A73-I96 WeakPolarHBondContact CB-O 3.23Å; A73-Q101 PolarHBondContact O-NE2 3.32Å
74	K	89.9	Confident	88.6	Confident	127 Å²	127	53.5 Å²	53.5	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-56.1	-36.7	174	-176.2	178.5	177.4	-178.7	0	112.4	G46 R47 A70 Q71 G76	G46-K74 CarbonylContact C-O 3.41Å; G46-K74 VanDerWaalsContact CA-O 3.3Å; G46-K74 WeakPolarHBondContact CA-O 3.28Å; R47-K74 PolarHBondContact N-O 3.04Å; A70-K74 PolarHBondContact O-N 3.42Å; Q71-K74 WeakPolarHBondContact O-CB 3.23Å; Q71-K74 PolarHBondContact O-N 3.28Å; K74-G76 VanDerWaalsContact C-N 3.35Å
75	T	88.3	Confident	88.2	Confident	71 Å²	71	53.5 Å²	53.5	44%	0.436	26%	0.259	S	S	.	.	H	α-helix	trans	-77	-23.5	179.9	-37.8	0	0	0	0	111.7	G46 N51 Q71 L72 A73	G46-T75 CarbonylContact O-C 3.52Å; G46-T75 VanDerWaalsContact O-O 3.08Å; N51-T75 VanDerWaalsContact ND2-CB 3.28Å; N51-T75 WeakPolarHBondContact ND2-CB 3.28Å; N51-T75 WeakPolarHBondContact ND2-CG2 3.47Å; N51-T75 PolarHBondContact ND2-O 2.87Å; N51-T75 PolarHBondContact OD1-O 3.03Å; Q71-T75 PolarHBondContact O-N 3.39Å; Q71-T75 PolarHBondContact O-OG1 3.11Å; L72-T75 PolarHBondContact O-N 3.27Å; A73-T75 PolarHBondContact O-N 2.83Å
76	G	88.5	Confident	88	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	24.1	-170.4	0	0	0	0	0	113.9	G46 S49 N51 L72 A73 K74 Q101	G46-G76 WeakPolarHBondContact O-CA 3.44Å; G46-G76 PolarHBondContact O-N 3.25Å; G46-G76 VanDerWaalsContact O-N 3.12Å; S49-G76 CarbonylContact O-C 3.59Å; S49-G76 WeakPolarHBondContact O-CA 3.32Å; S49-G76 VanDerWaalsContact O-O 3.09Å; N51-G76 PolarHBondContact N-O 3.47Å; N51-G76 VanDerWaalsContact ND2-C 3.28Å; L72-G76 PolarHBondContact O-N 2.95Å; A73-G76 PolarHBondContact O-N 3.23Å; K74-G76 VanDerWaalsContact C-N 3.35Å; G76-Q101 VanDerWaalsContact C-NE2 3.33Å; G76-Q101 VanDerWaalsContact CA-NE2 3.29Å
77	T	87	Confident	87.7	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.043	29%	0.285	C	S	.	.			trans	-80.9	139.1	-179.6	-45.7	0	0	0	0	109.7	N51 I53 V55 L72 Q101	N51-T77 PolarHBondContact ND2-N 3.31Å; N51-T77 PolarHBondContact ND2-OG1 2.78Å; I53-T77 HydrophobicContact CB-CG2 4.12Å; I53-T77 HydrophobicContact CG2-CG2 3.98Å; I53-T77 VanDerWaalsContact O-CG2 3.23Å; I53-T77 WeakPolarHBondContact O-CG2 2.9Å; V55-T77 HydrophobicContact CB-CG2 4.35Å; V55-T77 HydrophobicContact CG2-CG2 3.59Å; L72-T77 VanDerWaalsContact O-CB 3.29Å; L72-T77 WeakPolarHBondContact O-CB 3.29Å; L72-T77 PolarHBondContact O-N 2.93Å; L72-T77 VanDerWaalsContact O-N 3.15Å; L72-T77 PolarHBondContact O-OG1 2.81Å; T77-Q101 WeakPolarHBondContact O-CG 3.41Å; T77-Q101 PolarHBondContact O-NE2 3.11Å
78	Q	88.8	Confident	87.5	Confident	51 Å²	51	59.4 Å²	59.4	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.3	172.8	-176.3	-177.3	19.5	0	0	109.4	F50 I53 T54 V55	F50-Q78 HydrophobicContact CE2-CB 3.92Å; I53-Q78 PolarHBondContact O-N 3.12Å; T54-Q78 CarbonylContact C-O 3.6Å; T54-Q78 WeakPolarHBondContact CA-O 3.44Å; T54-Q78 HydrophobicContact CG2-CB 4.19Å; T54-Q78 HydrophobicContact CG2-CG 4.06Å; T54-Q78 PolarHBondContact OG1-OE1 3.22Å; V55-Q78 PolarHBondContact N-O 3.18Å
79	I	89.9	Confident	87.3	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.9	-175.4	-43.3	169.8	0	0	0	111.1	V55 V57 M69 L72 A73 Q101 V102 L103	V55-I79 CarbonylContact O-C 3.04Å; V55-I79 VanDerWaalsContact O-CA 3.29Å; V55-I79 WeakPolarHBondContact O-CA 3.21Å; V57-I79 HydrophobicContact CB-CG2 4.41Å; V57-I79 HydrophobicContact CG2-CG2 3.83Å; M69-I79 HydrophobicContact CB-CD1 4.26Å; M69-I79 HydrophobicContact CE-CB 3.83Å; M69-I79 HydrophobicContact CE-CD1 3.6Å; M69-I79 HydrophobicContact CE-CG1 4.3Å; M69-I79 HydrophobicContact CE-CG2 3.42Å; M69-I79 VanDerWaalsContact CE-CG2 3.42Å; M69-I79 HydrophobicContact SD-CB 4.06Å; M69-I79 HydrophobicContact SD-CD1 3.74Å; M69-I79 HydrophobicContact SD-CG1 4.36Å; M69-I79 HydrophobicContact SD-CG2 3.12Å; M69-I79 WeakPolarHBondContact SD-CG2 3.12Å; L72-I79 HydrophobicContact CB-CD1 3.9Å; L72-I79 HydrophobicContact CB-CG1 4.39Å; A73-I79 HydrophobicContact CB-CD1 4.45Å; I79-Q101 PolarHBondContact N-O 2.8Å; I79-V102 CarbonylContact O-C 3.54Å; I79-V102 WeakPolarHBondContact O-CA 3.46Å; I79-L103 PolarHBondContact O-N 2.95Å
80	I	89.2	Confident	87.1	Confident	22 Å²	22	63.5 Å²	63.5	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.4	176.6	-61.9	179.2	0	0	0	108.4	T54 V55 T56 V57 L103 L105	T54-I80 HydrophobicContact CG2-CD1 3.44Å; T54-I80 VanDerWaalsContact CG2-CD1 3.44Å; T54-I80 HydrophobicContact CG2-CG1 3.75Å; V55-I80 PolarHBondContact O-N 3.26Å; T56-I80 CarbonylContact C-O 3.15Å; T56-I80 VanDerWaalsContact CA-O 3.32Å; T56-I80 WeakPolarHBondContact CA-O 3.23Å; T56-I80 HydrophobicContact CG2-CB 4.26Å; T56-I80 HydrophobicContact CG2-CG2 4.09Å; V57-I80 PolarHBondContact N-O 3.14Å; I80-L103 WeakPolarHBondContact CA-O 3.43Å; I80-L105 HydrophobicContact CG2-CD1 3.18Å; I80-L105 HydrophobicContact CG2-CG 3.65Å
81	L	88.5	Confident	87.1	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	102	-178.8	-72.2	173.9	0	0	0	110.8	V57 M69 V93 V102 L103 F104 L105	V57-L81 HydrophobicContact CB-CD2 3.99Å; V57-L81 WeakPolarHBondContact O-CD2 3.41Å; M69-L81 HydrophobicContact CE-CD1 3.56Å; M69-L81 HydrophobicContact CE-CD2 3.78Å; M69-L81 HydrophobicContact CE-CG 3.79Å; M69-L81 HydrophobicContact SD-CD2 3.74Å; M69-L81 HydrophobicContact SD-CG 4.35Å; L81-V93 HydrophobicContact CD1-CB 3.97Å; L81-V93 HydrophobicContact CD1-CG1 3.3Å; L81-V102 HydrophobicContact CD1-CG1 3.44Å; L81-V102 VanDerWaalsContact CD1-CG1 3.44Å; L81-V102 HydrophobicContact CG-CG1 4.26Å; L81-L103 PolarHBondContact N-O 3.32Å; L81-F104 HydrophobicContact CB-CD1 3.89Å; L81-F104 HydrophobicContact CB-CE1 4.32Å; L81-F104 HydrophobicContact CD1-CD1 3.93Å; L81-F104 HydrophobicContact CD1-CE1 3.52Å; L81-L105 PolarHBondContact O-N 3.39Å
82	P	86.5	Confident	87.1	Confident	24 Å²	24	66.8 Å²	66.8	16%	0.156	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.5	167.5	28.7	-31.2	0	0	0	109.5	T56 F58 L105 C110	T56-P82 HydrophobicContact CG2-CG 4.23Å; F58-P82 HydrophobicContact CD1-CB 4.5Å; F58-P82 HydrophobicContact CD1-CG 3.5Å; F58-P82 HydrophobicContact CE1-CB 4.34Å; F58-P82 HydrophobicContact CE1-CG 3.6Å; F58-P82 HydrophobicContact CG-CG 4.24Å; F58-P82 HydrophobicContact CZ-CG 4.4Å; P82-L105 WeakPolarHBondContact CA-O 2.99Å; P82-C110 HydrophobicContact CB-CB 4.37Å
83	Y	84.1	Confident	87.1	Confident	54 Å²	54	65 Å²	65	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.5	177.2	74	-77.5	0	0	0	111.3	C85 I90 F104 L105 P106 G107	Y83-C85 WeakPolarHBondContact CD2-O 3.41Å; Y83-C85 VanDerWaalsContact CE2-O 3.31Å; Y83-C85 WeakPolarHBondContact CE2-O 3.19Å; Y83-I90 HydrophobicContact CD1-CD1 3.58Å; Y83-I90 HydrophobicContact CD2-CD1 3.52Å; Y83-I90 HydrophobicContact CD2-CG1 4.14Å; Y83-I90 HydrophobicContact CD2-CG2 4.43Å; Y83-I90 HydrophobicContact CE1-CD1 3.73Å; Y83-I90 HydrophobicContact CE2-CD1 3.65Å; Y83-I90 HydrophobicContact CE2-CG1 4.43Å; Y83-I90 HydrophobicContact CG-CD1 3.49Å; Y83-I90 VanDerWaalsContact CG-CD1 3.49Å; Y83-I90 HydrophobicContact CG-CG1 4.36Å; Y83-I90 HydrophobicContact CG-CG2 4.3Å; Y83-F104 HydrophobicContact CD1-CB 3.9Å; Y83-F104 HydrophobicContact CD1-CD1 4.49Å; Y83-F104 HydrophobicContact CE1-CB 3.54Å; Y83-F104 HydrophobicContact CE1-CG 4.49Å; Y83-L105 WeakPolarHBondContact CD1-O 3.46Å; Y83-L105 VanDerWaalsContact CE1-C 3.48Å; Y83-L105 WeakPolarHBondContact CE1-O 3.32Å; Y83-L105 PolarHBondContact N-O 3.26Å; Y83-P106 HydrophobicContact CE1-CB 4.39Å; Y83-G107 WeakPolarHBondContact O-CA 3.49Å; Y83-G107 PolarHBondContact O-N 3.06Å
84	R	82.2	Confident	87.1	Confident	243 Å²	243	70.3 Å²	70.3	92%	0.917	33%	0.334	S	S	*	.			trans	-110.4	-20.2	175.4	-174.5	175.4	-180	-172	0.8	112.8
85	C	80.7	Confident	87.1	Confident	75 Å²	75	70.1 Å²	70.1	51%	0.507	34%	0.344	S	S	.	.	S	Bend	trans	-78.9	176.3	-175.5	-56.1	0	0	0	0	112.4	Y83 M89	Y83-C85 WeakPolarHBondContact CD2-O 3.41Å; Y83-C85 VanDerWaalsContact CE2-O 3.31Å; Y83-C85 WeakPolarHBondContact CE2-O 3.19Å; C85-M89 HydrophobicContact CB-CB 4.48Å; C85-M89 HydrophobicContact CB-SD 4.02Å
86	D	84.7	Confident	87.2	Confident	101 Å²	101	68 Å²	68	54%	0.54	33%	0.33	S	S	.	.			trans	-59.7	143.3	171.6	-65.8	-55.1	0	0	0	111.9	H88 M89	D86-H88 PolarHBondContact O-N 3.01Å; D86-M89 PolarHBondContact O-N 3.36Å
87	P	83.4	Confident	87.3	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-21.2	179.9	24.6	-34.2	0	0	0	113.1	M89 I90 R91	P87-M89 VanDerWaalsContact C-N 3.3Å; P87-M89 PolarHBondContact O-N 3.37Å; P87-I90 VanDerWaalsContact O-CG1 3.31Å; P87-I90 WeakPolarHBondContact O-CG1 3.11Å; P87-I90 PolarHBondContact O-N 3.31Å; P87-R91 PolarHBondContact O-N 3.45Å
88	H	86.3	Confident	87.5	Confident	147 Å²	147	72.1 Å²	72.1	68%	0.681	35%	0.354	S	S	*	.	H	α-helix	trans	-67.1	-28.5	175.6	-60.7	-64.6	0	0	0	113.3	D86 R91	D86-H88 PolarHBondContact O-N 3.01Å; H88-R91 VanDerWaalsContact O-CD 3.28Å; H88-R91 WeakPolarHBondContact O-CD 3.42Å; H88-R91 VanDerWaalsContact O-CG 3.25Å; H88-R91 WeakPolarHBondContact O-CG 3.26Å
89	M	84.6	Confident	87.5	Confident	120 Å²	120	77.4 Å²	77.4	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-79.8	-25.2	-179.5	-62.8	-174.9	-179.2	0	0	112.9	C85 D86 P87	C85-M89 HydrophobicContact CB-CB 4.48Å; C85-M89 HydrophobicContact CB-SD 4.02Å; D86-M89 PolarHBondContact O-N 3.36Å; P87-M89 VanDerWaalsContact C-N 3.3Å; P87-M89 PolarHBondContact O-N 3.37Å
90	I	88	Confident	87.4	Confident	10 Å²	10	80 Å²	80	5%	0.051	41%	0.411	C	S	.	.	H	α-helix	trans	-98.5	-8	-178.5	53.8	152.6	0	0	0	113.5	T61 Y83 P87 D92 V93 F104	T61-I90 HydrophobicContact CG2-CG2 3.79Å; Y83-I90 HydrophobicContact CD1-CD1 3.58Å; Y83-I90 HydrophobicContact CD2-CD1 3.52Å; Y83-I90 HydrophobicContact CD2-CG1 4.14Å; Y83-I90 HydrophobicContact CD2-CG2 4.43Å; Y83-I90 HydrophobicContact CE1-CD1 3.73Å; Y83-I90 HydrophobicContact CE2-CD1 3.65Å; Y83-I90 HydrophobicContact CE2-CG1 4.43Å; Y83-I90 HydrophobicContact CG-CD1 3.49Å; Y83-I90 VanDerWaalsContact CG-CD1 3.49Å; Y83-I90 HydrophobicContact CG-CG1 4.36Å; Y83-I90 HydrophobicContact CG-CG2 4.3Å; P87-I90 VanDerWaalsContact O-CG1 3.31Å; P87-I90 WeakPolarHBondContact O-CG1 3.11Å; P87-I90 PolarHBondContact O-N 3.31Å; I90-D92 PolarHBondContact O-N 3.29Å; I90-D92 VanDerWaalsContact O-N 3.14Å; I90-V93 WeakPolarHBondContact O-CB 3.09Å; I90-V93 WeakPolarHBondContact O-CG2 3.3Å; I90-V93 PolarHBondContact O-N 3.15Å; I90-F104 HydrophobicContact CB-CD1 4.44Å; I90-F104 HydrophobicContact CB-CE1 4.01Å; I90-F104 HydrophobicContact CD1-CB 4.06Å; I90-F104 HydrophobicContact CD1-CD1 3.37Å; I90-F104 HydrophobicContact CD1-CD2 4.15Å; I90-F104 HydrophobicContact CD1-CE1 3.71Å; I90-F104 HydrophobicContact CD1-CE2 4.44Å; I90-F104 HydrophobicContact CD1-CG 3.62Å; I90-F104 HydrophobicContact CD1-CZ 4.23Å; I90-F104 HydrophobicContact CG1-CD1 4.4Å; I90-F104 HydrophobicContact CG1-CE1 4.28Å; I90-F104 WeakPolarHBondContact O-CZ 3.38Å
91	R	88.8	Confident	87.5	Confident	162 Å²	162	79.8 Å²	79.8	61%	0.611	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-54.8	-35.4	-175.6	75.9	-174	-161.6	86	12.6	113.3	P87 H88 V93 K94	P87-R91 PolarHBondContact O-N 3.45Å; H88-R91 VanDerWaalsContact O-CD 3.28Å; H88-R91 WeakPolarHBondContact O-CD 3.42Å; H88-R91 VanDerWaalsContact O-CG 3.25Å; H88-R91 WeakPolarHBondContact O-CG 3.26Å; R91-V93 PolarHBondContact O-N 2.73Å; R91-K94 VanDerWaalsContact O-CB 3.24Å; R91-K94 WeakPolarHBondContact O-CB 3.35Å; R91-K94 PolarHBondContact O-N 3Å; R91-K94 VanDerWaalsContact O-N 3.11Å
92	D	89.5	Confident	87.6	Confident	68 Å²	68	80 Å²	80	36%	0.364	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-64.5	-28.1	-178.5	-61.4	-16.8	0	0	0	111.7	R66 I90 K94 V95	R66-D92 IonicContact NH2-OD2 3.85Å; I90-D92 PolarHBondContact O-N 3.29Å; I90-D92 VanDerWaalsContact O-N 3.14Å; D92-K94 PolarHBondContact O-N 3.4Å; D92-V95 WeakPolarHBondContact O-CB 3.36Å; D92-V95 PolarHBondContact O-N 3.44Å
93	V	89.3	Confident	87.8	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.012	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-70.3	-21.5	-179.7	-163.7	0	0	0	0	111.2	T61 M69 L81 I90 R91 V95 I96 F104	T61-V93 HydrophobicContact CG2-CG2 4.29Å; M69-V93 HydrophobicContact CE-CG1 3.75Å; L81-V93 HydrophobicContact CD1-CB 3.97Å; L81-V93 HydrophobicContact CD1-CG1 3.3Å; I90-V93 WeakPolarHBondContact O-CB 3.09Å; I90-V93 WeakPolarHBondContact O-CG2 3.3Å; I90-V93 PolarHBondContact O-N 3.15Å; R91-V93 PolarHBondContact O-N 2.73Å; V93-V95 PolarHBondContact O-N 2.99Å; V93-I96 HydrophobicContact CB-CD1 4.45Å; V93-I96 HydrophobicContact CG1-CD1 3.66Å; V93-I96 HydrophobicContact CG1-CG1 4.46Å; V93-I96 WeakPolarHBondContact O-CB 3.4Å; V93-I96 WeakPolarHBondContact O-CG1 3.47Å; V93-I96 PolarHBondContact O-N 3.4Å; V93-F104 HydrophobicContact CB-CE1 4.23Å; V93-F104 HydrophobicContact CB-CZ 4.36Å
94	K	90.3	Very high	88.1	Confident	111 Å²	111	82.4 Å²	82.4	48%	0.483	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-65.2	-26.3	174.9	-164.9	173.9	-179.8	177.8	0	112.5	R91 D92 I96 F104	R91-K94 VanDerWaalsContact O-CB 3.24Å; R91-K94 WeakPolarHBondContact O-CB 3.35Å; R91-K94 PolarHBondContact O-N 3Å; R91-K94 VanDerWaalsContact O-N 3.11Å; D92-K94 PolarHBondContact O-N 3.4Å; K94-I96 PolarHBondContact O-N 2.89Å; K94-F104 HydrophobicContact CB-CE2 3.99Å; K94-F104 HydrophobicContact CB-CZ 4.03Å; K94-F104 HydrophobicContact CD-CE2 4.4Å; K94-F104 HydrophobicContact CG-CE2 4.34Å
95	V	90.4	Very high	88.2	Confident	124 Å²	124	73 Å²	73	75%	0.752	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-72.3	-15.9	-179.6	-175	0	0	0	0	112.1	D92 V93 G97	D92-V95 WeakPolarHBondContact O-CB 3.36Å; D92-V95 PolarHBondContact O-N 3.44Å; V93-V95 PolarHBondContact O-N 2.99Å; V95-G97 VanDerWaalsContact C-N 3.31Å; V95-G97 PolarHBondContact O-N 2.82Å
96	I	91.5	Very high	88.2	Confident	27 Å²	27	71 Å²	71	14%	0.138	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-69.1	-31.3	-173.9	-59.7	-177.9	0	0	0	112.1	R47 M69 A70 A73 V93 K94	R47-I96 PolarHBondContact NH1-O 3.29Å; M69-I96 HydrophobicContact CB-CD1 3.77Å; M69-I96 HydrophobicContact CB-CG2 3.89Å; M69-I96 HydrophobicContact CG-CD1 4.48Å; A70-I96 HydrophobicContact CB-CG2 4.19Å; A73-I96 HydrophobicContact CB-CG2 3.9Å; A73-I96 VanDerWaalsContact CB-O 3.23Å; A73-I96 WeakPolarHBondContact CB-O 3.23Å; V93-I96 HydrophobicContact CB-CD1 4.45Å; V93-I96 HydrophobicContact CG1-CD1 3.66Å; V93-I96 HydrophobicContact CG1-CG1 4.46Å; V93-I96 WeakPolarHBondContact O-CB 3.4Å; V93-I96 WeakPolarHBondContact O-CG1 3.47Å; V93-I96 PolarHBondContact O-N 3.4Å; K94-I96 PolarHBondContact O-N 2.89Å
97	G	90.4	Very high	87.3	Confident	14 Å²	14	68 Å²	68	14%	0.144	37%	0.37	C	S	.	.	S	Bend	trans	-131	175.7	-178.3	0	0	0	0	0	112.7	V95 Q101	V95-G97 VanDerWaalsContact C-N 3.31Å; V95-G97 PolarHBondContact O-N 2.82Å; G97-Q101 VanDerWaalsContact CA-OE1 3.24Å
98	D	90.2	Very high	86.3	Confident	78 Å²	78	73.4 Å²	73.4	42%	0.417	38%	0.382	S	S	.	.			trans	-71.8	166.5	178	-73	-49.7	0	0	0	112	A48 G100 Q101	A48-D98 WeakPolarHBondContact CA-OD2 3.21Å; A48-D98 PolarHBondContact N-OD2 3.42Å; D98-G100 PolarHBondContact O-N 2.89Å; D98-G100 VanDerWaalsContact O-N 3.14Å; D98-Q101 VanDerWaalsContact O-CB 3.23Å; D98-Q101 WeakPolarHBondContact O-CB 3.24Å; D98-Q101 PolarHBondContact O-N 3.34Å
99	L	88.5	Confident	84.8	Confident	162 Å²	162	68.1 Å²	68.1	85%	0.848	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	122.1	179.1	-179	64.4	0	0	0	110.6	Q101	L99-Q101 VanDerWaalsContact C-N 3.34Å
100	G	89	Confident	83	Confident	56 Å²	56	63.8 Å²	63.8	58%	0.577	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-9.1	-179.4	0	0	0	0	0	115	D98	D98-G100 PolarHBondContact O-N 2.89Å; D98-G100 VanDerWaalsContact O-N 3.14Å
101	Q	90.1	Very high	81.2	Confident	17 Å²	17	66.7 Å²	66.7	8%	0.079	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-34.9	177.2	-168	174.3	17.4	0	0	112.4	A73 G76 T77 I79 G97 D98 L99	A73-Q101 PolarHBondContact O-NE2 3.32Å; G76-Q101 VanDerWaalsContact C-NE2 3.33Å; G76-Q101 VanDerWaalsContact CA-NE2 3.29Å; T77-Q101 WeakPolarHBondContact O-CG 3.41Å; T77-Q101 PolarHBondContact O-NE2 3.11Å; I79-Q101 PolarHBondContact N-O 2.8Å; G97-Q101 VanDerWaalsContact CA-OE1 3.24Å; D98-Q101 VanDerWaalsContact O-CB 3.23Å; D98-Q101 WeakPolarHBondContact O-CB 3.24Å; D98-Q101 PolarHBondContact O-N 3.34Å; L99-Q101 VanDerWaalsContact C-N 3.34Å
102	V	91.6	Very high	79.4	Confident	12 Å²	12	65.3 Å²	65.3	7%	0.073	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.1	176.9	-177.8	0	0	0	0	109.3	M69 I79 L81 F104	M69-V102 HydrophobicContact CE-CG1 4.16Å; M69-V102 HydrophobicContact CE-CG2 4.25Å; I79-V102 CarbonylContact O-C 3.54Å; I79-V102 WeakPolarHBondContact O-CA 3.46Å; L81-V102 HydrophobicContact CD1-CG1 3.44Å; L81-V102 VanDerWaalsContact CD1-CG1 3.44Å; L81-V102 HydrophobicContact CG-CG1 4.26Å; V102-F104 HydrophobicContact CG1-CE1 4.15Å; V102-F104 HydrophobicContact CG1-CZ 4.15Å
103	L	90.2	Very high	77.6	Confident	81 Å²	81	66.1 Å²	66.1	42%	0.424	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.9	178.1	179.6	63.9	0	0	0	110.2	I79 I80 L81 L105	I79-L103 PolarHBondContact O-N 2.95Å; I80-L103 WeakPolarHBondContact CA-O 3.43Å; L81-L103 PolarHBondContact N-O 3.32Å; L103-L105 HydrophobicContact CD2-CD2 4.38Å
104	F	89.8	Confident	75.8	Confident	48 Å²	48	69.5 Å²	69.5	21%	0.211	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.5	175.2	-61.4	-65.5	0	0	0	110.5	L81 Y83 I90 V93 K94 V102	L81-F104 HydrophobicContact CB-CD1 3.89Å; L81-F104 HydrophobicContact CB-CE1 4.32Å; L81-F104 HydrophobicContact CD1-CD1 3.93Å; L81-F104 HydrophobicContact CD1-CE1 3.52Å; Y83-F104 HydrophobicContact CD1-CB 3.9Å; Y83-F104 HydrophobicContact CD1-CD1 4.49Å; Y83-F104 HydrophobicContact CE1-CB 3.54Å; Y83-F104 HydrophobicContact CE1-CG 4.49Å; I90-F104 HydrophobicContact CB-CD1 4.44Å; I90-F104 HydrophobicContact CB-CE1 4.01Å; I90-F104 HydrophobicContact CD1-CB 4.06Å; I90-F104 HydrophobicContact CD1-CD1 3.37Å; I90-F104 HydrophobicContact CD1-CD2 4.15Å; I90-F104 HydrophobicContact CD1-CE1 3.71Å; I90-F104 HydrophobicContact CD1-CE2 4.44Å; I90-F104 HydrophobicContact CD1-CG 3.62Å; I90-F104 HydrophobicContact CD1-CZ 4.23Å; I90-F104 HydrophobicContact CG1-CD1 4.4Å; I90-F104 HydrophobicContact CG1-CE1 4.28Å; I90-F104 WeakPolarHBondContact O-CZ 3.38Å; V93-F104 HydrophobicContact CB-CE1 4.23Å; V93-F104 HydrophobicContact CB-CZ 4.36Å; K94-F104 HydrophobicContact CB-CE2 3.99Å; K94-F104 HydrophobicContact CB-CZ 4.03Å; K94-F104 HydrophobicContact CD-CE2 4.4Å; K94-F104 HydrophobicContact CG-CE2 4.34Å; V102-F104 HydrophobicContact CG1-CE1 4.15Å; V102-F104 HydrophobicContact CG1-CZ 4.15Å
105	L	84.2	Confident	74	Confident	45 Å²	45	67.8 Å²	67.8	24%	0.236	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.3	173	-68.5	-179.6	0	0	0	109.8	I80 L81 P82 Y83 L103	I80-L105 HydrophobicContact CG2-CD1 3.18Å; I80-L105 HydrophobicContact CG2-CG 3.65Å; L81-L105 PolarHBondContact O-N 3.39Å; P82-L105 WeakPolarHBondContact CA-O 2.99Å; Y83-L105 WeakPolarHBondContact CD1-O 3.46Å; Y83-L105 VanDerWaalsContact CE1-C 3.48Å; Y83-L105 WeakPolarHBondContact CE1-O 3.32Å; Y83-L105 PolarHBondContact N-O 3.26Å; L103-L105 HydrophobicContact CD2-CD2 4.38Å
106	P	81.6	Confident	72.2	Confident	34 Å²	34	66.8 Å²	66.8	22%	0.221	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	144	171.8	28.7	-35.1	0	0	0	110.6	Y83 Y108 A109	Y83-P106 HydrophobicContact CE1-CB 4.39Å; P106-Y108 HydrophobicContact CB-CD1 3.86Å; P106-Y108 HydrophobicContact CB-CE1 3.39Å; P106-Y108 HydrophobicContact CG-CD1 4.03Å; P106-Y108 HydrophobicContact CG-CE1 3.26Å; P106-Y108 HydrophobicContact CG-CE2 3.97Å; P106-Y108 VanDerWaalsContact CG-OH 3.24Å; P106-Y108 WeakPolarHBondContact CG-OH 3.46Å; P106-Y108 PolarHBondContact O-N 3.15Å; P106-A109 PolarHBondContact O-N 3.15Å
107	G	66.9	Low	70.1	Confident	37 Å²	37	70.4 Å²	70.4	38%	0.381	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-10.2	-166.6	0	0	0	0	0	117.9	Y83 C110	Y83-G107 WeakPolarHBondContact O-CA 3.49Å; Y83-G107 PolarHBondContact O-N 3.06Å; G107-C110 WeakPolarHBondContact O-CB 3.12Å
108	Y	61	Low	68.2	Low	187 Å²	187	76 Å²	76	73%	0.733	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.4	174.3	56.6	-100.7	0	0	0	113.7	P106 S111	P106-Y108 HydrophobicContact CB-CD1 3.86Å; P106-Y108 HydrophobicContact CB-CE1 3.39Å; P106-Y108 HydrophobicContact CG-CD1 4.03Å; P106-Y108 HydrophobicContact CG-CE1 3.26Å; P106-Y108 HydrophobicContact CG-CE2 3.97Å; P106-Y108 VanDerWaalsContact CG-OH 3.24Å; P106-Y108 WeakPolarHBondContact CG-OH 3.46Å; P106-Y108 PolarHBondContact O-N 3.15Å; Y108-S111 PolarHBondContact O-OG 3.26Å; Y108-S111 VanDerWaalsContact O-OG 3.08Å
109	A	54.4	Low	65.8	Low	35 Å²	35	80.2 Å²	80.2	29%	0.289	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.2	174.9	0	0	0	0	0	112.7	P106 S111 Q112 F113	P106-A109 PolarHBondContact O-N 3.15Å; A109-S111 VanDerWaalsContact C-N 3.35Å; A109-Q112 PolarHBondContact O-N 3.21Å; A109-F113 PolarHBondContact O-N 3.43Å
110	C	46.8	Very low	64.7	Low	29 Å²	29	76.2 Å²	76.2	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-68.7	-31.9	-178.6	-174.4	0	0	0	0	112.5	P82 G107 Q112 F113 L114	P82-C110 HydrophobicContact CB-CB 4.37Å; G107-C110 WeakPolarHBondContact O-CB 3.12Å; C110-Q112 VanDerWaalsContact C-N 3.33Å; C110-Q112 PolarHBondContact O-N 3.49Å; C110-F113 PolarHBondContact O-N 3.08Å; C110-L114 WeakPolarHBondContact O-CB 3.15Å; C110-L114 PolarHBondContact O-N 3.07Å
111	S	51.2	Low	63.4	Low	72 Å²	72	77.2 Å²	77.2	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-45.3	176.4	50	0	0	0	0	110.6	Y108 A109 V115	Y108-S111 PolarHBondContact O-OG 3.26Å; Y108-S111 VanDerWaalsContact O-OG 3.08Å; A109-S111 VanDerWaalsContact C-N 3.35Å; S111-V115 WeakPolarHBondContact O-CG1 3.42Å; S111-V115 VanDerWaalsContact O-CG2 3.3Å; S111-V115 WeakPolarHBondContact O-CG2 3.28Å; S111-V115 PolarHBondContact O-N 2.99Å
112	Q	51	Low	61.9	Low	133 Å²	133	80.6 Å²	80.6	62%	0.621	43%	0.433	S	S	*	.	H	α-helix	trans	-61.4	-51.3	176.8	-158.1	92.5	12.5	0	0	111.5	A109 C110 L114 V115 D116	A109-Q112 PolarHBondContact O-N 3.21Å; C110-Q112 VanDerWaalsContact C-N 3.33Å; C110-Q112 PolarHBondContact O-N 3.49Å; Q112-L114 PolarHBondContact O-N 2.84Å; Q112-V115 WeakPolarHBondContact O-CG2 3.25Å; Q112-V115 PolarHBondContact O-N 2.98Å; Q112-D116 WeakPolarHBondContact O-CB 3.48Å; Q112-D116 PolarHBondContact O-N 3.14Å; Q112-D116 VanDerWaalsContact O-OD2 3.13Å
113	F	52.1	Low	60.2	Low	84 Å²	84	84.6 Å²	84.6	37%	0.368	45%	0.454	S	S	.	.	H	α-helix	trans	-71.5	-29	-175.3	-153.7	-92.5	0	0	0	113.6	A109 C110 F117	A109-F113 PolarHBondContact O-N 3.43Å; C110-F113 PolarHBondContact O-N 3.08Å; F113-F117 WeakPolarHBondContact O-CB 3.24Å; F113-F117 PolarHBondContact O-N 2.92Å
114	L	51.1	Low	58.3	Low	73 Å²	73	84.8 Å²	84.8	38%	0.382	46%	0.456	S	S	.	.	H	α-helix	trans	-79.7	-35.4	176.5	-175.8	142.9	0	0	0	111.4	F58 C110 Q112 D116 F117 I118	F58-L114 HydrophobicContact CE1-CD1 4.41Å; F58-L114 HydrophobicContact CZ-CD1 4.48Å; C110-L114 WeakPolarHBondContact O-CB 3.15Å; C110-L114 PolarHBondContact O-N 3.07Å; Q112-L114 PolarHBondContact O-N 2.84Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-F117 PolarHBondContact O-N 3.05Å; L114-I118 HydrophobicContact CD2-CD1 3.31Å; L114-I118 HydrophobicContact CD2-CG1 4.38Å; L114-I118 HydrophobicContact CG-CD1 3.89Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.23Å; L114-I118 VanDerWaalsContact O-N 3.11Å
115	V	53.2	Low	56.2	Low	75 Å²	75	87.3 Å²	87.3	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-36.9	169.9	-62.8	0	0	0	0	111.5	S111 Q112 F117 T119	S111-V115 WeakPolarHBondContact O-CG1 3.42Å; S111-V115 VanDerWaalsContact O-CG2 3.3Å; S111-V115 WeakPolarHBondContact O-CG2 3.28Å; S111-V115 PolarHBondContact O-N 2.99Å; Q112-V115 WeakPolarHBondContact O-CG2 3.25Å; Q112-V115 PolarHBondContact O-N 2.98Å; V115-F117 PolarHBondContact O-N 3Å; V115-T119 WeakPolarHBondContact O-CB 3.31Å; V115-T119 PolarHBondContact O-N 3.44Å; V115-T119 PolarHBondContact O-OG1 3.47Å
116	D	51.4	Low	54.2	Low	103 Å²	103	90.3 Å²	90.3	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-68.1	-14.3	174.9	-64.8	-22	0	0	0	113.2	Q112 L114	Q112-D116 WeakPolarHBondContact O-CB 3.48Å; Q112-D116 PolarHBondContact O-N 3.14Å; Q112-D116 VanDerWaalsContact O-OD2 3.13Å; L114-D116 VanDerWaalsContact C-N 3.32Å
117	F	47	Very low	52.1	Low	103 Å²	103	94.6 Å²	94.6	45%	0.452	51%	0.51	S	S	.	.	H	α-helix	trans	-102.6	-25.2	-179.1	-156.7	-92.4	0	0	0	113.7	T25 F113 L114 V115	T25-F117 HydrophobicContact CG2-CD1 4.38Å; T25-F117 HydrophobicContact CG2-CD2 4.01Å; T25-F117 HydrophobicContact CG2-CE1 3.64Å; T25-F117 HydrophobicContact CG2-CE2 3.2Å; T25-F117 HydrophobicContact CG2-CZ 3.01Å; F113-F117 WeakPolarHBondContact O-CB 3.24Å; F113-F117 PolarHBondContact O-N 2.92Å; L114-F117 PolarHBondContact O-N 3.05Å; V115-F117 PolarHBondContact O-N 3Å
118	I	52.1	Low	50.8	Low	133 Å²	133	99.4 Å²	99.4	68%	0.682	52%	0.521	S	S	*	.	H	α-helix	trans	-90.3	-25.7	175	-51.9	163.5	0	0	0	110.8	L114	L114-I118 HydrophobicContact CD2-CD1 3.31Å; L114-I118 HydrophobicContact CD2-CG1 4.38Å; L114-I118 HydrophobicContact CG-CD1 3.89Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.23Å; L114-I118 VanDerWaalsContact O-N 3.11Å
119	T	38.7	Very low	49.9	Very low	166 Å²	166	91.5 Å²	91.5	100%	1.018	50%	0.502	S	S	*	.			trans	-88.6	0	174.1	-46.2	0	0	0	0	110.5	V115	V115-T119 WeakPolarHBondContact O-CB 3.31Å; V115-T119 PolarHBondContact O-N 3.44Å; V115-T119 PolarHBondContact O-OG1 3.47Å

Retrieved 119 of 119 residues in 201.7 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).