A0A077ZFF8_TRITR Loading...

THO complex subunit 4

AlphaFold DB , UniProt , Accession A0A077ZFF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 aa.

						>A0A077ZFF8_TRITR|A0A077ZFF8
MQVNGRVVSEDVGLSLDEIIKKSGNLYSLRGRGYTDVGTRKPSDDGFTIQVTNLAASVTDSDIKDLFSDVGPLMRSCVHYDRNGQSLGVADVVYARRSDAIIAMKQFGNVSLDGMLQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	38.3	Very low	246 Å²	246	144.3 Å²	144.3	100%	1.212	78%	0.782	S	S	*	*				0	113.9	0	-107.5	164.9	170.3	0	0	107.6
2	Q	42	Very low	38.5	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	74%	0.74	S	S	*	*			trans	-85.2	109.8	177.6	-171.8	159.3	67.9	0	0	107.8	N4	Q2-N4 PolarHBondContact O-N 3.35Å; Q2-N4 PolarHBondContact O-ND2 2.83Å
3	V	42.6	Very low	38.6	Very low	146 Å²	146	129.5 Å²	129.5	89%	0.885	72%	0.723	S	S	*	*			trans	-75.9	102.8	166.3	-72.4	0	0	0	0	107.3
4	N	39.4	Very low	39.2	Very low	136 Å²	136	120.9 Å²	120.9	73%	0.727	68%	0.675	S	S	*	*			trans	-80.1	128.9	168.6	-77.1	-86.1	0	0	0	107.8	Q2	Q2-N4 PolarHBondContact O-N 3.35Å; Q2-N4 PolarHBondContact O-ND2 2.83Å
5	G	31.1	Very low	39.5	Very low	75 Å²	75	114.9 Å²	114.9	77%	0.773	64%	0.644	S	S	*	*			trans	132.8	95	161.4	0	0	0	0	0	114
6	R	42.4	Very low	39.7	Very low	232 Å²	232	108.4 Å²	108.4	88%	0.875	61%	0.608	S	S	*	*				-152.7	108.9	123	-139	168.4	176.5	163	-4.1	108.6	V8	R6-V8 VanDerWaalsContact C-N 3.28Å; R6-V8 PolarHBondContact O-N 3.14Å
7	V	29.4	Very low	39.9	Very low	132 Å²	132	107.9 Å²	107.9	80%	0.8	60%	0.603	S	S	*	*			trans	-61.6	103.1	154.8	178.1	0	0	0	0	104	S9	V7-S9 PolarHBondContact O-N 3.36Å; V7-S9 VanDerWaalsContact O-N 3.08Å
8	V	36.7	Very low	40.4	Very low	103 Å²	103	103.1 Å²	103.1	62%	0.624	58%	0.575	S	S	*	*			trans	-73.5	91.3	161.4	-69.1	0	0	0	0	103.9	R6 E10	R6-V8 VanDerWaalsContact C-N 3.28Å; R6-V8 PolarHBondContact O-N 3.14Å; V8-E10 PolarHBondContact O-N 3.37Å; V8-E10 VanDerWaalsContact O-N 3.12Å
9	S	34.8	Very low	40.5	Very low	86 Å²	86	97.8 Å²	97.8	60%	0.601	55%	0.546	S	S	*	.			trans	-51.2	120.3	156	-78.9	0	0	0	0	104.7	V7 D11	V7-S9 PolarHBondContact O-N 3.36Å; V7-S9 VanDerWaalsContact O-N 3.08Å; S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 3.47Å
10	E	46.4	Very low	40.7	Very low	134 Å²	134	98.4 Å²	98.4	63%	0.626	55%	0.546	S	S	*	.			trans	-45.2	95.7	-177.6	-90.1	104.8	122.3	0	0	111.1	V8 V12	V8-E10 PolarHBondContact O-N 3.37Å; V8-E10 VanDerWaalsContact O-N 3.12Å; E10-V12 PolarHBondContact O-N 3.05Å
11	D	37.5	Very low	41	Very low	126 Å²	126	101.2 Å²	101.2	67%	0.674	55%	0.553	S	S	*	*			trans	-71.6	80.2	170.6	-73.3	-60.5	0	0	0	106.8	S9 G13	S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 3.47Å; D11-G13 PolarHBondContact O-N 3.5Å
12	V	40.7	Very low	41.1	Very low	46 Å²	46	92.7 Å²	92.7	28%	0.279	51%	0.509	S	S	.	.			trans	-83.1	85	169.7	-84.3	0	0	0	0	108.7	E10 L14 M104	E10-V12 PolarHBondContact O-N 3.05Å; V12-L14 PolarHBondContact O-N 3.23Å; V12-M104 HydrophobicContact CB-SD 4.21Å; V12-M104 HydrophobicContact CG1-SD 3.94Å; V12-M104 HydrophobicContact CG2-CG 4.3Å; V12-M104 HydrophobicContact CG2-SD 3.64Å
13	G	39.5	Very low	40.8	Very low	51 Å²	51	87.8 Å²	87.8	53%	0.526	49%	0.494	S	S	.	.			trans	-68.1	113.1	170.4	0	0	0	0	0	110.8	D11 T52	D11-G13 PolarHBondContact O-N 3.5Å; G13-T52 WeakPolarHBondContact CA-OG1 3.49Å
14	L	46.2	Very low	40.8	Very low	9 Å²	9	83 Å²	83	5%	0.047	47%	0.473	C	S	.	.			trans	-100	149.4	170.5	-57.7	-179.3	0	0	0	109.2	V12 V51 T52 F107	V12-L14 PolarHBondContact O-N 3.23Å; L14-V51 HydrophobicContact CB-CG1 4.16Å; L14-T52 CarbonylContact O-C 3.58Å; L14-T52 WeakPolarHBondContact O-CA 2.92Å; L14-T52 PolarHBondContact O-N 3.15Å; L14-T52 VanDerWaalsContact O-N 3.11Å; L14-T52 PolarHBondContact O-OG1 3.43Å; L14-F107 HydrophobicContact CD1-CB 3.85Å
15	S	44.8	Very low	40.9	Very low	30 Å²	30	82.8 Å²	82.8	21%	0.21	47%	0.473	C	S	.	.			trans	-111.2	146.2	176.4	63.7	0	0	0	0	115.1	D17 E18 N53	S15-D17 VanDerWaalsContact C-N 3.34Å; S15-D17 PolarHBondContact O-N 2.88Å; S15-E18 PolarHBondContact N-OE2 3.22Å; S15-E18 WeakPolarHBondContact O-CB 3.31Å; S15-E18 VanDerWaalsContact O-CG 3.32Å; S15-E18 WeakPolarHBondContact O-CG 3.49Å; S15-E18 PolarHBondContact O-N 2.73Å; S15-E18 VanDerWaalsContact O-N 3.15Å; S15-E18 VanDerWaalsContact OG-CG 3.25Å; S15-E18 WeakPolarHBondContact OG-CG 3.5Å; S15-E18 PolarHBondContact OG-OE2 3.26Å; S15-N53 WeakPolarHBondContact CB-ND2 3.37Å
16	L	42.4	Very low	41.3	Very low	12 Å²	12	83 Å²	83	6%	0.063	46%	0.455	C	S	.	.	H	α-helix	trans	-63.7	-34.3	-174.4	-114.7	-176.7	0	0	0	115.1	E18 I19 I20 N53 L54 A55 V58	L16-E18 PolarHBondContact O-N 3.2Å; L16-E18 VanDerWaalsContact O-N 3.12Å; L16-I19 HydrophobicContact CD2-CB 4.07Å; L16-I19 HydrophobicContact CD2-CD1 4.34Å; L16-I19 HydrophobicContact CD2-CG2 3.99Å; L16-I19 WeakPolarHBondContact O-CB 3.23Å; L16-I19 PolarHBondContact O-N 3.31Å; L16-I19 VanDerWaalsContact O-N 3.09Å; L16-I20 HydrophobicContact CB-CD1 4.44Å; L16-I20 HydrophobicContact CD1-CD1 4.44Å; L16-I20 HydrophobicContact CD2-CD1 3.92Å; L16-I20 HydrophobicContact CD2-CG1 3.88Å; L16-I20 HydrophobicContact CG-CD1 4.5Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 2.88Å; L16-N53 VanDerWaalsContact CB-O 3.28Å; L16-N53 WeakPolarHBondContact CB-O 3.23Å; L16-N53 PolarHBondContact N-O 3.28Å; L16-N53 VanDerWaalsContact N-O 3.08Å; L16-L54 VanDerWaalsContact CD1-CA 3.41Å; L16-L54 HydrophobicContact CD1-CB 3.92Å; L16-L54 HydrophobicContact CD1-CD2 4.25Å; L16-L54 HydrophobicContact CD2-CD2 4.01Å; L16-L54 HydrophobicContact CG-CB 4.08Å; L16-L54 HydrophobicContact CG-CD2 3.59Å; L16-L54 HydrophobicContact CG-CG 4.4Å; L16-A55 HydrophobicContact CD1-CB 3.39Å; L16-V58 HydrophobicContact CD1-CG2 3.49Å; L16-V58 VanDerWaalsContact CD1-CG2 3.49Å; L16-V58 HydrophobicContact CD2-CG2 4.23Å; L16-V58 HydrophobicContact CG-CG2 4.44Å
17	D	43.2	Very low	41.1	Very low	100 Å²	100	80.9 Å²	80.9	54%	0.535	45%	0.449	S	S	.	.	H	α-helix	trans	-56.9	-27.8	178.5	-76.4	-78.3	0	0	0	111.2	S15 K21	S15-D17 VanDerWaalsContact C-N 3.34Å; S15-D17 PolarHBondContact O-N 2.88Å; D17-K21 VanDerWaalsContact O-CD 3.24Å; D17-K21 WeakPolarHBondContact O-CD 3.49Å; D17-K21 WeakPolarHBondContact O-CG 3.44Å; D17-K21 PolarHBondContact O-N 3.21Å
18	E	47.7	Very low	41.5	Very low	20 Å²	20	78.9 Å²	78.9	9%	0.093	44%	0.441	C	S	.	.	H	α-helix	trans	-71.4	-50.2	175.2	-52.7	-167.8	43.7	0	0	112.3	S15 L16 I20 K21 K22 F107 V110	S15-E18 PolarHBondContact N-OE2 3.22Å; S15-E18 WeakPolarHBondContact O-CB 3.31Å; S15-E18 VanDerWaalsContact O-CG 3.32Å; S15-E18 WeakPolarHBondContact O-CG 3.49Å; S15-E18 PolarHBondContact O-N 2.73Å; S15-E18 VanDerWaalsContact O-N 3.15Å; S15-E18 VanDerWaalsContact OG-CG 3.25Å; S15-E18 WeakPolarHBondContact OG-CG 3.5Å; S15-E18 PolarHBondContact OG-OE2 3.26Å; L16-E18 PolarHBondContact O-N 3.2Å; L16-E18 VanDerWaalsContact O-N 3.12Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 PolarHBondContact O-N 3.42Å; E18-K21 PolarHBondContact O-N 3.39Å; E18-K22 PolarHBondContact O-N 3.47Å; E18-F107 WeakPolarHBondContact CB-O 3.45Å; E18-F107 VanDerWaalsContact OE1-O 3.1Å; E18-V110 HydrophobicContact CB-CB 4.29Å; E18-V110 HydrophobicContact CB-CG1 3.35Å; E18-V110 HydrophobicContact CB-CG2 4.43Å; E18-V110 HydrophobicContact CG-CB 3.68Å; E18-V110 HydrophobicContact CG-CG1 3.21Å; E18-V110 HydrophobicContact CG-CG2 3.34Å; E18-V110 WeakPolarHBondContact OE1-CA 3.32Å; E18-V110 WeakPolarHBondContact OE1-CB 3.39Å; E18-V110 VanDerWaalsContact OE1-CG1 3.32Å; E18-V110 WeakPolarHBondContact OE1-CG1 3.36Å; E18-V110 WeakPolarHBondContact OE1-CG2 2.94Å; E18-V110 PolarHBondContact OE1-N 2.63Å; E18-V110 WeakPolarHBondContact OE2-CG2 3.25Å
19	I	44	Very low	41.6	Very low	4 Å²	4	80.7 Å²	80.7	2%	0.021	45%	0.446	C	S	.	.	H	α-helix	trans	-60.1	-46.9	-176.8	-72.7	166.9	0	0	0	110.1	L16 K22 S23 V51 L54 L66 F67 F107	L16-I19 HydrophobicContact CD2-CB 4.07Å; L16-I19 HydrophobicContact CD2-CD1 4.34Å; L16-I19 HydrophobicContact CD2-CG2 3.99Å; L16-I19 WeakPolarHBondContact O-CB 3.23Å; L16-I19 PolarHBondContact O-N 3.31Å; L16-I19 VanDerWaalsContact O-N 3.09Å; I19-K22 PolarHBondContact O-N 2.81Å; I19-S23 PolarHBondContact O-N 3.46Å; I19-V51 HydrophobicContact CD1-CG1 3.68Å; I19-L54 HydrophobicContact CD1-CD2 4.12Å; I19-L66 HydrophobicContact CB-CD2 4.41Å; I19-L66 HydrophobicContact CD1-CD2 4.5Å; I19-L66 HydrophobicContact CG2-CD1 3.99Å; I19-L66 HydrophobicContact CG2-CD2 3.14Å; I19-L66 HydrophobicContact CG2-CG 4.15Å; I19-F67 HydrophobicContact CD1-CZ 4.49Å; I19-F107 HydrophobicContact CB-CD1 4.15Å; I19-F107 HydrophobicContact CG1-CB 3.93Å; I19-F107 HydrophobicContact CG1-CD1 3.64Å; I19-F107 HydrophobicContact CG1-CE1 4.48Å; I19-F107 HydrophobicContact CG1-CG 4.04Å; I19-F107 HydrophobicContact CG2-CD1 4.21Å; I19-F107 HydrophobicContact CG2-CE1 4.28Å
20	I	43	Very low	41.6	Very low	108 Å²	108	88.5 Å²	88.5	55%	0.554	46%	0.462	S	S	*	.	H	α-helix	trans	-68.6	-41.1	-176.2	-64.5	166.8	0	0	0	111.3	L16 E18 K22	L16-I20 HydrophobicContact CB-CD1 4.44Å; L16-I20 HydrophobicContact CD1-CD1 4.44Å; L16-I20 HydrophobicContact CD2-CD1 3.92Å; L16-I20 HydrophobicContact CD2-CG1 3.88Å; L16-I20 HydrophobicContact CG-CD1 4.5Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 2.88Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 PolarHBondContact O-N 3.42Å; I20-K22 PolarHBondContact O-N 2.72Å; I20-K22 VanDerWaalsContact O-N 3.14Å
21	K	47.2	Very low	41.1	Very low	159 Å²	159	85.3 Å²	85.3	69%	0.691	47%	0.465	S	S	*	.	H	α-helix	trans	-60.4	-25.1	177.5	-74.8	170.6	-167.1	171.7	0	112.6	D17 E18	D17-K21 VanDerWaalsContact O-CD 3.24Å; D17-K21 WeakPolarHBondContact O-CD 3.49Å; D17-K21 WeakPolarHBondContact O-CG 3.44Å; D17-K21 PolarHBondContact O-N 3.21Å; E18-K21 PolarHBondContact O-N 3.39Å
22	K	42.8	Very low	41.1	Very low	67 Å²	67	91.5 Å²	91.5	29%	0.291	48%	0.479	S	S	.	.	H	α-helix	trans	-93.7	-33.5	-174	-142.3	134.5	169.5	-166.5	0	113.9	E18 I19 I20 G24 N25 Q106	E18-K22 PolarHBondContact O-N 3.47Å; I19-K22 PolarHBondContact O-N 2.81Å; I20-K22 PolarHBondContact O-N 2.72Å; I20-K22 VanDerWaalsContact O-N 3.14Å; K22-G24 PolarHBondContact O-N 3.08Å; K22-N25 PolarHBondContact O-N 2.74Å; K22-Q106 WeakPolarHBondContact CD-O 3.37Å; K22-Q106 WeakPolarHBondContact CE-O 3.16Å; K22-Q106 PolarHBondContact NZ-O 3.45Å
23	S	35	Very low	40.9	Very low	68 Å²	68	92.7 Å²	92.7	48%	0.476	50%	0.501	S	S	.	.	H	α-helix	trans	-56.9	-33.2	173.9	179.6	0	0	0	0	112.1	I19 N25 L26	I19-S23 PolarHBondContact O-N 3.46Å; S23-N25 PolarHBondContact O-N 2.88Å; S23-L26 PolarHBondContact O-N 2.84Å
24	G	42.3	Very low	40.6	Very low	44 Å²	44	97.2 Å²	97.2	45%	0.454	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.5	179.1	0	0	0	0	0	117.2	K22 Y27	K22-G24 PolarHBondContact O-N 3.08Å; G24-Y27 WeakPolarHBondContact O-CE1 3Å
25	N	41.8	Very low	40.1	Very low	133 Å²	133	102.3 Å²	102.3	71%	0.711	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-4.6	-177.8	-115.6	-37.5	0	0	0	115.7	K22 S23	K22-N25 PolarHBondContact O-N 2.74Å; S23-N25 PolarHBondContact O-N 2.88Å
26	L	39	Very low	39.9	Very low	79 Å²	79	108 Å²	108	41%	0.414	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.1	-11.7	-174.7	-87.2	134.4	0	0	0	114.7	S23 S28 L29	S23-L26 PolarHBondContact O-N 2.84Å; L26-S28 PolarHBondContact O-N 3.25Å; L26-S28 VanDerWaalsContact O-N 3.08Å; L26-L29 PolarHBondContact O-N 3.47Å
27	Y	38.1	Very low	39.9	Very low	187 Å²	187	112.5 Å²	112.5	73%	0.733	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-9.4	179.2	62.5	-96.9	0	0	0	114.7	G24	G24-Y27 WeakPolarHBondContact O-CE1 3Å
28	S	38.1	Very low	39.6	Very low	90 Å²	90	110.4 Å²	110.4	63%	0.629	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-3.5	179.7	61	0	0	0	0	114.8	L26	L26-S28 PolarHBondContact O-N 3.25Å; L26-S28 VanDerWaalsContact O-N 3.08Å
29	L	39.2	Very low	39.2	Very low	141 Å²	141	116.1 Å²	116.1	74%	0.738	63%	0.629	S	S	*	*			trans	-111.2	51.7	179.2	-73.8	150.5	0	0	0	111.5	L26 G31	L26-L29 PolarHBondContact O-N 3.47Å; L29-G31 PolarHBondContact O-N 3.32Å
30	R	33.8	Very low	38.9	Very low	250 Å²	250	126.9 Å²	126.9	94%	0.943	67%	0.67	S	S	*	*			trans	-74.1	86.3	173	-154.5	-174.7	-164.3	-158.9	6.1	109.5
31	G	37.7	Very low	38.6	Very low	67 Å²	67	131.9 Å²	131.9	69%	0.691	69%	0.687	S	S	*	*			trans	163.8	85.1	166.9	0	0	0	0	0	116.8	L29	L29-G31 PolarHBondContact O-N 3.32Å
32	R	37.5	Very low	38.4	Very low	257 Å²	257	128.1 Å²	128.1	97%	0.97	68%	0.679	S	S	*	*			trans	-169.3	132.9	133.8	-118.4	168.7	169.9	169.6	-3.9	111.6
33	G	36.4	Very low	38.5	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	70%	0.695	S	S	*	*			trans	-65.2	141.1	-163.9	0	0	0	0	0	115.5
34	Y	33.1	Very low	39.3	Very low	146 Å²	146	133.1 Å²	133.1	57%	0.573	71%	0.711	S	S	*	*			trans	-81.1	107.6	163.8	-170.8	-95.3	0	0	0	108.2	R96	Y34-R96 PolarHBondContact OH-NH1 2.85Å
35	T	35.8	Very low	39.9	Very low	116 Å²	116	137.5 Å²	137.5	71%	0.712	72%	0.724	S	S	*	*			trans	-86.8	120.2	176.4	51.1	0	0	0	0	110.4	V37	T35-V37 PolarHBondContact O-N 3.48Å
36	D	40.8	Very low	41	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	70%	0.696	S	S	*	*			trans	-40.6	116.4	161	174.3	52.2	0	0	0	112.5
37	V	40.9	Very low	42.5	Very low	106 Å²	106	130.7 Å²	130.7	64%	0.642	69%	0.688	S	S	*	*			trans	-150.4	118.3	160.2	-78.5	0	0	0	0	111.3	T35	T35-V37 PolarHBondContact O-N 3.48Å
38	G	37	Very low	44.3	Very low	56 Å²	56	125.3 Å²	125.3	58%	0.577	68%	0.675	S	S	*	*				91.4	83.1	128.4	0	0	0	0	0	118.4	R40	G38-R40 PolarHBondContact O-N 3.15Å
39	T	40.1	Very low	46.2	Very low	141 Å²	141	121 Å²	121	87%	0.865	65%	0.645	S	S	*	*				20.1	93.4	126.4	49.5	0	0	0	0	117.9
40	R	37.4	Very low	47.8	Very low	230 Å²	230	117.2 Å²	117.2	87%	0.868	62%	0.623	S	S	*	*			trans	-153	126.2	133.4	-65.9	-164.6	174.3	173.6	-2.6	105.1	G38 P42	G38-R40 PolarHBondContact O-N 3.15Å; R40-P42 WeakPolarHBondContact O-CD 3.46Å
41	K	36.7	Very low	49.8	Very low	212 Å²	212	105.3 Å²	105.3	92%	0.922	58%	0.578	S	S	*	*			trans	-58.9	101.1	170.4	-70.3	-179.4	176.8	176.2	0	106
42	P	43.1	Very low	51.6	Low	80 Å²	80	103.9 Å²	103.9	52%	0.519	56%	0.556	S	S	.	*			trans	-64	151	171.7	-4.1	24.5	0	0	0	105.3	R40 D44	R40-P42 WeakPolarHBondContact O-CD 3.46Å; P42-D44 PolarHBondContact O-N 3.35Å; P42-D44 VanDerWaalsContact O-N 3.14Å
43	S	44.1	Very low	53.4	Low	90 Å²	90	96.3 Å²	96.3	63%	0.629	54%	0.535	S	S	*	.			trans	-38.2	127.9	171.8	-51.4	0	0	0	0	109.1	D45	S43-D45 WeakPolarHBondContact CB-OD2 3.29Å; S43-D45 CarbonylContact O-C 3.18Å; S43-D45 PolarHBondContact O-N 2.98Å
44	D	52.3	Low	55.2	Low	151 Å²	151	93.6 Å²	93.6	81%	0.807	50%	0.504	S	S	*	.	S	Bend	trans	-52	-18.8	-172.6	-163.7	-116.8	0	0	0	112.2	P42 G46	P42-D44 PolarHBondContact O-N 3.35Å; P42-D44 VanDerWaalsContact O-N 3.14Å; D44-G46 VanDerWaalsContact C-N 3.33Å; D44-G46 PolarHBondContact O-N 3.43Å
45	D	55.6	Low	57	Low	136 Å²	136	88.8 Å²	88.8	73%	0.727	49%	0.494	S	S	*	.	S	Bend	trans	-71.3	80.1	163.5	-19.9	-90.2	0	0	0	110.2	S43	S43-D45 WeakPolarHBondContact CB-OD2 3.29Å; S43-D45 CarbonylContact O-C 3.18Å; S43-D45 PolarHBondContact O-N 2.98Å
46	G	63.6	Low	58.8	Low	12 Å²	12	86.3 Å²	86.3	12%	0.124	49%	0.485	C	S	.	.			trans	-51.8	165.3	164.3	0	0	0	0	0	111.9	D44 T48 Y94	D44-G46 VanDerWaalsContact C-N 3.33Å; D44-G46 PolarHBondContact O-N 3.43Å; G46-T48 PolarHBondContact O-N 2.86Å; G46-Y94 CarbonylContact C-O 3.46Å; G46-Y94 VanDerWaalsContact CA-O 3.31Å; G46-Y94 WeakPolarHBondContact CA-O 3.25Å
47	F	71.1	Confident	60.7	Low	57 Å²	57	84.4 Å²	84.4	25%	0.25	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	105.3	-179.4	-162.4	-86.7	0	0	0	110.5	I49 V93 Y94 R97 A100 M104	F47-I49 HydrophobicContact CD1-CG2 3.99Å; F47-I49 HydrophobicContact CE1-CG2 4.07Å; F47-V93 WeakPolarHBondContact O-CA 3.4Å; F47-Y94 PolarHBondContact N-O 3.06Å; F47-Y94 PolarHBondContact O-N 3.35Å; F47-R97 HydrophobicContact CD2-CB 4.21Å; F47-R97 HydrophobicContact CD2-CG 3.78Å; F47-R97 HydrophobicContact CE2-CG 3.91Å; F47-R97 HydrophobicContact CG-CB 4.46Å; F47-R97 HydrophobicContact CG-CG 4.24Å; F47-R97 HydrophobicContact CZ-CG 4.45Å; F47-A100 HydrophobicContact CB-CB 4.05Å; F47-A100 HydrophobicContact CD1-CB 3.22Å; F47-A100 HydrophobicContact CE1-CB 3.94Å; F47-A100 HydrophobicContact CG-CB 3.93Å; F47-M104 HydrophobicContact CE1-CE 3.94Å; F47-M104 HydrophobicContact CE1-SD 4.43Å; F47-M104 HydrophobicContact CZ-CE 4.47Å
48	T	76.7	Confident	62.5	Low	74 Å²	74	80.3 Å²	80.3	45%	0.454	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.3	176.9	-49.2	0	0	0	0	110.9	G46 D91 V92 V93	G46-T48 PolarHBondContact O-N 2.86Å; T48-D91 HydrophobicContact CG2-CB 4.04Å; T48-V92 CarbonylContact C-O 3.51Å; T48-V92 WeakPolarHBondContact CA-O 3.43Å; T48-V93 HydrophobicContact CG2-CG2 4.08Å
49	I	76.3	Confident	64.7	Low	0 Å²	0	80.5 Å²	80.5	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.2	164.1	65.9	173.1	0	0	0	107.7	F47 V51 F67 V92 Y94 A100 A103 M104	F47-I49 HydrophobicContact CD1-CG2 3.99Å; F47-I49 HydrophobicContact CE1-CG2 4.07Å; I49-V51 HydrophobicContact CD1-CG2 4.47Å; I49-V51 HydrophobicContact CG1-CG2 4.47Å; I49-F67 HydrophobicContact CD1-CD1 3.77Å; I49-F67 HydrophobicContact CD1-CE1 3.43Å; I49-F67 VanDerWaalsContact CD1-CE1 3.43Å; I49-F67 HydrophobicContact CD1-CZ 4.33Å; I49-V92 HydrophobicContact CD1-CB 4.08Å; I49-V92 HydrophobicContact CD1-CG1 4.33Å; I49-V92 HydrophobicContact CG1-CB 3.63Å; I49-V92 HydrophobicContact CG1-CG1 4.23Å; I49-V92 VanDerWaalsContact CG1-O 3.31Å; I49-V92 WeakPolarHBondContact CG1-O 3.47Å; I49-V92 PolarHBondContact N-O 2.94Å; I49-V92 PolarHBondContact O-N 2.89Å; I49-Y94 HydrophobicContact CD1-CD2 4.32Å; I49-Y94 HydrophobicContact CD1-CE2 3.73Å; I49-Y94 HydrophobicContact CG1-CE2 4.36Å; I49-A100 HydrophobicContact CG2-CB 3.77Å; I49-A103 HydrophobicContact CD1-CB 4.07Å; I49-M104 HydrophobicContact CB-CG 4.49Å; I49-M104 HydrophobicContact CG2-CG 3.83Å; I49-M104 HydrophobicContact CG2-SD 3.97Å
50	Q	74.4	Confident	66.8	Low	60 Å²	60	76.1 Å²	76.1	28%	0.28	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.3	171	-170.2	167	89	0	0	108.7	T52 V89 A90 D91	Q50-T52 HydrophobicContact CG-CG2 4.01Å; Q50-V89 HydrophobicContact CG-CG1 3.88Å; Q50-A90 CarbonylContact C-O 3.55Å; Q50-D91 PolarHBondContact NE2-OD1 3.22Å
51	V	75.3	Confident	69.1	Low	0 Å²	0	69.2 Å²	69.2	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.1	180	-165.9	0	0	0	0	105.4	L14 I19 I49 L54 F67 V89 A90 V92	L14-V51 HydrophobicContact CB-CG1 4.16Å; I19-V51 HydrophobicContact CD1-CG1 3.68Å; I49-V51 HydrophobicContact CD1-CG2 4.47Å; I49-V51 HydrophobicContact CG1-CG2 4.47Å; V51-L54 HydrophobicContact CB-CD1 4.4Å; V51-L54 HydrophobicContact CB-CD2 4.4Å; V51-L54 HydrophobicContact CG1-CD1 4.38Å; V51-L54 HydrophobicContact CG1-CD2 3.53Å; V51-L54 HydrophobicContact CG1-CG 4.15Å; V51-F67 HydrophobicContact CB-CZ 4.31Å; V51-F67 HydrophobicContact CG1-CE2 4.26Å; V51-F67 HydrophobicContact CG1-CZ 3.94Å; V51-F67 HydrophobicContact CG2-CE1 4.1Å; V51-F67 HydrophobicContact CG2-CE2 3.81Å; V51-F67 HydrophobicContact CG2-CZ 3.36Å; V51-V89 CarbonylContact O-C 3.04Å; V51-V89 VanDerWaalsContact O-CA 3.25Å; V51-V89 WeakPolarHBondContact O-CA 3.21Å; V51-A90 HydrophobicContact CB-CB 4.48Å; V51-A90 PolarHBondContact N-O 3.44Å; V51-A90 PolarHBondContact O-N 2.95Å; V51-V92 HydrophobicContact CG2-CG2 3.98Å
52	T	74.9	Confident	71.4	Confident	37 Å²	37	63 Å²	63	23%	0.227	38%	0.384	C	S	.	.			trans	-112.1	-176.3	-176	60.1	0	0	0	0	110.2	G13 L14 Q50 L54 G88 V89	G13-T52 WeakPolarHBondContact CA-OG1 3.49Å; L14-T52 CarbonylContact O-C 3.58Å; L14-T52 WeakPolarHBondContact O-CA 2.92Å; L14-T52 PolarHBondContact O-N 3.15Å; L14-T52 VanDerWaalsContact O-N 3.11Å; L14-T52 PolarHBondContact O-OG1 3.43Å; Q50-T52 HydrophobicContact CG-CG2 4.01Å; T52-L54 PolarHBondContact O-N 2.83Å; T52-G88 CarbonylContact C-O 3.6Å; T52-G88 VanDerWaalsContact CA-O 3.24Å; T52-G88 WeakPolarHBondContact CA-O 3.16Å; T52-V89 HydrophobicContact CG2-CG1 4.2Å; T52-V89 HydrophobicContact CG2-CG2 4.2Å
53	N	74.8	Confident	73.3	Confident	99 Å²	99	59.3 Å²	59.3	53%	0.529	36%	0.36	S	S	.	.	S	Bend	trans	44.8	38.7	-179.3	-164.6	58.1	0	0	0	113.7	S15 L16 G88	S15-N53 WeakPolarHBondContact CB-ND2 3.37Å; L16-N53 VanDerWaalsContact CB-O 3.28Å; L16-N53 WeakPolarHBondContact CB-O 3.23Å; L16-N53 PolarHBondContact N-O 3.28Å; L16-N53 VanDerWaalsContact N-O 3.08Å; N53-G88 PolarHBondContact N-O 3.34Å
54	L	74.3	Confident	75.2	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.073	36%	0.355	C	S	.	.			trans	-78.4	154.7	170	-50.3	163.7	0	0	0	109.9	L16 I19 V51 T52 I63 G88 A90	L16-L54 VanDerWaalsContact CD1-CA 3.41Å; L16-L54 HydrophobicContact CD1-CB 3.92Å; L16-L54 HydrophobicContact CD1-CD2 4.25Å; L16-L54 HydrophobicContact CD2-CD2 4.01Å; L16-L54 HydrophobicContact CG-CB 4.08Å; L16-L54 HydrophobicContact CG-CD2 3.59Å; L16-L54 HydrophobicContact CG-CG 4.4Å; I19-L54 HydrophobicContact CD1-CD2 4.12Å; V51-L54 HydrophobicContact CB-CD1 4.4Å; V51-L54 HydrophobicContact CB-CD2 4.4Å; V51-L54 HydrophobicContact CG1-CD1 4.38Å; V51-L54 HydrophobicContact CG1-CD2 3.53Å; V51-L54 HydrophobicContact CG1-CG 4.15Å; T52-L54 PolarHBondContact O-N 2.83Å; L54-I63 HydrophobicContact CD1-CD1 3.77Å; L54-I63 HydrophobicContact CD1-CG1 4.38Å; L54-I63 HydrophobicContact CD2-CD1 3.85Å; L54-I63 HydrophobicContact CG-CD1 4.49Å; L54-G88 PolarHBondContact N-O 2.8Å; L54-G88 WeakPolarHBondContact O-CA 3.47Å; L54-A90 HydrophobicContact CD1-CB 3.46Å; L54-A90 VanDerWaalsContact CD1-CB 3.46Å
55	A	72.8	Confident	76.8	Confident	45 Å²	45	59.4 Å²	59.4	37%	0.372	35%	0.347	S	S	.	.			trans	-85.7	148.9	-177.7	0	0	0	0	0	107.1	L16 S57 V58	L16-A55 HydrophobicContact CD1-CB 3.39Å; A55-S57 PolarHBondContact O-N 3.48Å; A55-V58 HydrophobicContact CB-CG2 4.46Å; A55-V58 WeakPolarHBondContact O-CB 3.46Å; A55-V58 PolarHBondContact O-N 3.42Å
56	A	73.3	Confident	78	Confident	64 Å²	64	54.7 Å²	54.7	53%	0.529	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.4	-178.9	0	0	0	0	0	113.6	V58 S86	A56-V58 VanDerWaalsContact C-N 3.33Å; A56-S86 PolarHBondContact O-OG 3.19Å
57	S	79.8	Confident	78.9	Confident	108 Å²	108	54.1 Å²	54.1	76%	0.755	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.6	177.9	-49.9	0	0	0	0	114.2	A55	A55-S57 PolarHBondContact O-N 3.48Å
58	V	79.9	Confident	79.6	Confident	21 Å²	21	54.3 Å²	54.3	13%	0.127	32%	0.324	C	S	.	.			trans	-78.3	126.4	-178.1	171.4	0	0	0	0	110.3	L16 A55 A56 D62 I63 S86	L16-V58 HydrophobicContact CD1-CG2 3.49Å; L16-V58 VanDerWaalsContact CD1-CG2 3.49Å; L16-V58 HydrophobicContact CD2-CG2 4.23Å; L16-V58 HydrophobicContact CG-CG2 4.44Å; A55-V58 HydrophobicContact CB-CG2 4.46Å; A55-V58 WeakPolarHBondContact O-CB 3.46Å; A55-V58 PolarHBondContact O-N 3.42Å; A56-V58 VanDerWaalsContact C-N 3.33Å; V58-D62 HydrophobicContact CG1-CB 4.25Å; V58-I63 HydrophobicContact CG1-CD1 3.61Å; V58-I63 HydrophobicContact CG1-CG1 3.67Å; V58-S86 PolarHBondContact O-OG 3.24Å; V58-S86 VanDerWaalsContact O-OG 3.06Å
59	T	82.4	Confident	79.8	Confident	59 Å²	59	56.3 Å²	56.3	36%	0.362	33%	0.332	S	S	.	.			trans	-102.9	163.9	177.4	71.1	0	0	0	0	111.5	S61 D62 I63	T59-S61 PolarHBondContact O-N 2.81Å; T59-S61 PolarHBondContact OG1-N 2.69Å; T59-D62 WeakPolarHBondContact CB-OD2 3.31Å; T59-D62 PolarHBondContact N-OD2 3.12Å; T59-D62 PolarHBondContact O-N 3.2Å; T59-D62 PolarHBondContact OG1-N 2.9Å; T59-D62 PolarHBondContact OG1-OD2 2.87Å; T59-I63 PolarHBondContact O-N 2.91Å; T59-I63 VanDerWaalsContact O-N 3.12Å
60	D	83.8	Confident	79.9	Confident	49 Å²	49	57.3 Å²	57.3	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-54.7	-34.2	172.2	179.1	-105	0	0	0	112.4	I63 K64 S76 C77 V78 Y80	D60-I63 PolarHBondContact O-N 3.25Å; D60-K64 VanDerWaalsContact O-CB 3.29Å; D60-K64 WeakPolarHBondContact O-CB 3.22Å; D60-K64 PolarHBondContact O-N 2.84Å; D60-S76 WeakPolarHBondContact OD2-CB 3.36Å; D60-S76 PolarHBondContact OD2-OG 2.83Å; D60-C77 WeakPolarHBondContact OD2-CA 3.36Å; D60-C77 PolarHBondContact OD2-N 2.74Å; D60-V78 HydrophobicContact CB-CG2 4.26Å; D60-Y80 PolarHBondContact N-OH 3.45Å
61	S	85.1	Confident	80.1	Confident	85 Å²	85	54.8 Å²	54.8	59%	0.594	33%	0.329	S	S	*	.	H	α-helix	trans	-65.8	-39.8	176.9	-64	0	0	0	0	112.3	T59 K64 D65	T59-S61 PolarHBondContact O-N 2.81Å; T59-S61 PolarHBondContact OG1-N 2.69Å; S61-K64 PolarHBondContact O-N 3.45Å; S61-D65 WeakPolarHBondContact O-CB 3.4Å; S61-D65 PolarHBondContact O-N 3.08Å
62	D	85.4	Confident	80.3	Confident	83 Å²	83	57.5 Å²	57.5	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-67.1	-41.8	177.1	-57.7	-64.5	0	0	0	111.5	V58 T59 D65 L66	V58-D62 HydrophobicContact CG1-CB 4.25Å; T59-D62 WeakPolarHBondContact CB-OD2 3.31Å; T59-D62 PolarHBondContact N-OD2 3.12Å; T59-D62 PolarHBondContact O-N 3.2Å; T59-D62 PolarHBondContact OG1-N 2.9Å; T59-D62 PolarHBondContact OG1-OD2 2.87Å; D62-D65 PolarHBondContact O-N 3.05Å; D62-L66 WeakPolarHBondContact O-CB 3.29Å; D62-L66 PolarHBondContact O-N 3.38Å
63	I	83.2	Confident	80.6	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-48.1	173.9	-66.9	-58.9	0	0	0	110.1	L54 V58 T59 D60 D65 L66 F67 V78 A90 V92	L54-I63 HydrophobicContact CD1-CD1 3.77Å; L54-I63 HydrophobicContact CD1-CG1 4.38Å; L54-I63 HydrophobicContact CD2-CD1 3.85Å; L54-I63 HydrophobicContact CG-CD1 4.49Å; V58-I63 HydrophobicContact CG1-CD1 3.61Å; V58-I63 HydrophobicContact CG1-CG1 3.67Å; T59-I63 PolarHBondContact O-N 2.91Å; T59-I63 VanDerWaalsContact O-N 3.12Å; D60-I63 PolarHBondContact O-N 3.25Å; I63-D65 PolarHBondContact O-N 3Å; I63-L66 PolarHBondContact O-N 3.07Å; I63-F67 HydrophobicContact CD1-CE2 4.16Å; I63-F67 HydrophobicContact CG2-CD2 3.78Å; I63-F67 HydrophobicContact CG2-CE2 4.16Å; I63-F67 WeakPolarHBondContact O-CB 3.39Å; I63-F67 VanDerWaalsContact O-CD2 3.27Å; I63-F67 WeakPolarHBondContact O-CD2 3.46Å; I63-F67 PolarHBondContact O-N 3.38Å; I63-V78 HydrophobicContact CB-CG2 4.34Å; I63-V78 HydrophobicContact CG1-CG2 3.59Å; I63-A90 HydrophobicContact CD1-CB 4.36Å; I63-A90 HydrophobicContact CG1-CB 4.1Å; I63-A90 HydrophobicContact CG2-CB 4.39Å; I63-V92 HydrophobicContact CG2-CG2 3.37Å
64	K	83.9	Confident	81	Confident	120 Å²	120	57.7 Å²	57.7	52%	0.522	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-48	179.1	-173.3	177.8	178.4	179.2	0	111.3	D60 S61 S68 L73	D60-K64 VanDerWaalsContact O-CB 3.29Å; D60-K64 WeakPolarHBondContact O-CB 3.22Å; D60-K64 PolarHBondContact O-N 2.84Å; S61-K64 PolarHBondContact O-N 3.45Å; K64-S68 WeakPolarHBondContact O-CA 3.42Å; K64-S68 WeakPolarHBondContact O-CB 3.35Å; K64-S68 PolarHBondContact O-N 2.7Å; K64-S68 PolarHBondContact O-OG 2.61Å; K64-S68 VanDerWaalsContact O-OG 3.08Å; K64-L73 HydrophobicContact CB-CD1 4.35Å; K64-L73 HydrophobicContact CG-CD1 3.82Å; K64-L73 WeakPolarHBondContact O-CD1 3.31Å
65	D	85.9	Confident	81.4	Confident	122 Å²	122	65.1 Å²	65.1	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-49.9	-178.9	-158.6	-96.4	0	0	0	110.8	S61 D62 I63 S68 D69	S61-D65 WeakPolarHBondContact O-CB 3.4Å; S61-D65 PolarHBondContact O-N 3.08Å; D62-D65 PolarHBondContact O-N 3.05Å; I63-D65 PolarHBondContact O-N 3Å; D65-S68 PolarHBondContact O-N 3.43Å; D65-S68 PolarHBondContact O-OG 3.12Å; D65-D69 PolarHBondContact O-N 3.47Å
66	L	82.1	Confident	81.9	Confident	38 Å²	38	63.8 Å²	63.8	20%	0.199	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-50.1	-179.9	178.5	75.7	0	0	0	113.5	I19 D62 I63 S68 F107	I19-L66 HydrophobicContact CB-CD2 4.41Å; I19-L66 HydrophobicContact CD1-CD2 4.5Å; I19-L66 HydrophobicContact CG2-CD1 3.99Å; I19-L66 HydrophobicContact CG2-CD2 3.14Å; I19-L66 HydrophobicContact CG2-CG 4.15Å; D62-L66 WeakPolarHBondContact O-CB 3.29Å; D62-L66 PolarHBondContact O-N 3.38Å; I63-L66 PolarHBondContact O-N 3.07Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-F107 HydrophobicContact CD1-CE1 3.7Å; L66-F107 HydrophobicContact CD1-CZ 3.84Å; L66-F107 HydrophobicContact CD2-CE1 4.03Å; L66-F107 HydrophobicContact CD2-CZ 4.15Å; L66-F107 HydrophobicContact CG-CE1 3.82Å; L66-F107 HydrophobicContact CG-CE2 4.5Å; L66-F107 HydrophobicContact CG-CZ 3.64Å
67	F	82.5	Confident	82.4	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-78.5	-23	-177.8	-76.3	-87.3	0	0	0	111.4	I19 I49 V51 I63 D69 V70 G71 L73 V92 Y94 A103 F107	I19-F67 HydrophobicContact CD1-CZ 4.49Å; I49-F67 HydrophobicContact CD1-CD1 3.77Å; I49-F67 HydrophobicContact CD1-CE1 3.43Å; I49-F67 VanDerWaalsContact CD1-CE1 3.43Å; I49-F67 HydrophobicContact CD1-CZ 4.33Å; V51-F67 HydrophobicContact CB-CZ 4.31Å; V51-F67 HydrophobicContact CG1-CE2 4.26Å; V51-F67 HydrophobicContact CG1-CZ 3.94Å; V51-F67 HydrophobicContact CG2-CE1 4.1Å; V51-F67 HydrophobicContact CG2-CE2 3.81Å; V51-F67 HydrophobicContact CG2-CZ 3.36Å; I63-F67 HydrophobicContact CD1-CE2 4.16Å; I63-F67 HydrophobicContact CG2-CD2 3.78Å; I63-F67 HydrophobicContact CG2-CE2 4.16Å; I63-F67 WeakPolarHBondContact O-CB 3.39Å; I63-F67 VanDerWaalsContact O-CD2 3.27Å; I63-F67 WeakPolarHBondContact O-CD2 3.46Å; I63-F67 PolarHBondContact O-N 3.38Å; F67-D69 PolarHBondContact O-N 2.77Å; F67-V70 PolarHBondContact O-N 2.97Å; F67-V70 VanDerWaalsContact O-N 3.15Å; F67-G71 PolarHBondContact O-N 3.46Å; F67-L73 HydrophobicContact CB-CD1 4.12Å; F67-L73 HydrophobicContact CB-CD2 3.58Å; F67-L73 HydrophobicContact CB-CG 4.45Å; F67-V92 HydrophobicContact CB-CG1 3.99Å; F67-V92 HydrophobicContact CD1-CG1 4.25Å; F67-V92 HydrophobicContact CD2-CG2 4.02Å; F67-V92 HydrophobicContact CE2-CG2 4.23Å; F67-V92 HydrophobicContact CG-CG1 4.07Å; F67-V92 HydrophobicContact CG-CG2 4.21Å; F67-Y94 VanDerWaalsContact CB-OH 3.31Å; F67-Y94 WeakPolarHBondContact CB-OH 3.19Å; F67-Y94 HydrophobicContact CD1-CE2 4.2Å; F67-Y94 WeakPolarHBondContact CD1-OH 3.11Å; F67-Y94 PolarHBondContact O-OH 2.93Å; F67-A103 HydrophobicContact CD1-CB 4.02Å; F67-A103 HydrophobicContact CE1-CB 4.24Å; F67-F107 AromaticContact CD1-CD2 3.83Å; F67-F107 HydrophobicContact CD1-CD2 3.83Å; F67-F107 AromaticContact CD1-CE2 3.67Å; F67-F107 HydrophobicContact CD1-CE2 3.67Å; F67-F107 AromaticContact CE1-CD2 3.36Å; F67-F107 HydrophobicContact CE1-CD2 3.36Å; F67-F107 AromaticContact CE1-CE2 3.69Å; F67-F107 HydrophobicContact CE1-CE2 3.69Å; F67-F107 HydrophobicContact CE1-CG 4.2Å; F67-F107 HydrophobicContact CG-CE2 4.26Å; F67-F107 AromaticContact CZ-CD2 3.92Å; F67-F107 HydrophobicContact CZ-CD2 3.92Å; F67-F107 HydrophobicContact CZ-CE2 4.28Å; F67-F107 HydrophobicContact CZ-CG 4.37Å
68	S	84.3	Confident	82.6	Confident	60 Å²	60	58.5 Å²	58.5	42%	0.42	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-22.4	175.5	71.5	0	0	0	0	113.2	K64 D65 L66 V70 G71	K64-S68 WeakPolarHBondContact O-CA 3.42Å; K64-S68 WeakPolarHBondContact O-CB 3.35Å; K64-S68 PolarHBondContact O-N 2.7Å; K64-S68 PolarHBondContact O-OG 2.61Å; K64-S68 VanDerWaalsContact O-OG 3.08Å; D65-S68 PolarHBondContact O-N 3.43Å; D65-S68 PolarHBondContact O-OG 3.12Å; L66-S68 VanDerWaalsContact C-N 3.34Å; S68-V70 VanDerWaalsContact C-N 3.28Å; S68-V70 PolarHBondContact O-N 3.2Å; S68-G71 PolarHBondContact O-N 3.26Å
69	D	81.7	Confident	82.7	Confident	116 Å²	116	60.8 Å²	60.8	62%	0.62	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.4	175.4	-165.5	58.8	0	0	0	112.2	D65 F67	D65-D69 PolarHBondContact O-N 3.47Å; F67-D69 PolarHBondContact O-N 2.77Å
70	V	78.3	Confident	82.7	Confident	22 Å²	22	63 Å²	63	13%	0.133	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-41	175.9	-178.4	0	0	0	0	111.3	F67 S68 Y94 D99 I102 A103 F107	F67-V70 PolarHBondContact O-N 2.97Å; F67-V70 VanDerWaalsContact O-N 3.15Å; S68-V70 VanDerWaalsContact C-N 3.28Å; S68-V70 PolarHBondContact O-N 3.2Å; V70-Y94 HydrophobicContact CB-CE1 4.45Å; V70-D99 WeakPolarHBondContact CG1-O 3.2Å; V70-I102 HydrophobicContact CG1-CB 3.86Å; V70-I102 HydrophobicContact CG1-CG2 3.67Å; V70-A103 HydrophobicContact CB-CB 4.29Å; V70-A103 HydrophobicContact CG1-CB 3.98Å; V70-A103 HydrophobicContact CG2-CB 4.1Å; V70-F107 HydrophobicContact CG2-CE2 3.69Å; V70-F107 HydrophobicContact CG2-CZ 4.25Å
71	G	79.2	Confident	82.4	Confident	7 Å²	7	63.7 Å²	63.7	7%	0.072	33%	0.332	C	S	.	.	S	Bend	trans	174.9	179	-177.9	0	0	0	0	0	114.4	F67 S68 L73	F67-G71 PolarHBondContact O-N 3.46Å; S68-G71 PolarHBondContact O-N 3.26Å; G71-L73 PolarHBondContact O-N 3.39Å; G71-L73 VanDerWaalsContact O-N 3.15Å
72	P	79.5	Confident	82.2	Confident	56 Å²	56	71.3 Å²	71.3	36%	0.364	35%	0.347	S	S	.	.			trans	-67.2	115	-177.3	27.2	-33.9	0	0	0	111.8	A95	P72-A95 PolarHBondContact O-N 3.21Å
73	L	81.3	Confident	82.1	Confident	36 Å²	36	73.3 Å²	73.3	19%	0.188	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.4	173.8	-51.1	166.8	0	0	0	109.5	K64 F67 G71 V92 V93 Y94	K64-L73 HydrophobicContact CB-CD1 4.35Å; K64-L73 HydrophobicContact CG-CD1 3.82Å; K64-L73 WeakPolarHBondContact O-CD1 3.31Å; F67-L73 HydrophobicContact CB-CD1 4.12Å; F67-L73 HydrophobicContact CB-CD2 3.58Å; F67-L73 HydrophobicContact CB-CG 4.45Å; G71-L73 PolarHBondContact O-N 3.39Å; G71-L73 VanDerWaalsContact O-N 3.15Å; L73-V92 HydrophobicContact CD2-CG1 3.44Å; L73-V92 VanDerWaalsContact CD2-CG1 3.44Å; L73-V93 CarbonylContact C-O 3.59Å; L73-Y94 HydrophobicContact CD2-CD1 3.96Å; L73-Y94 HydrophobicContact CD2-CD2 4.38Å; L73-Y94 HydrophobicContact CD2-CE1 3.42Å; L73-Y94 VanDerWaalsContact CD2-CE1 3.42Å; L73-Y94 HydrophobicContact CD2-CE2 3.89Å; L73-Y94 HydrophobicContact CD2-CG 4.43Å; L73-Y94 HydrophobicContact CG-CE1 4.45Å
74	M	82.5	Confident	81.8	Confident	105 Å²	105	75.9 Å²	75.9	52%	0.517	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-40	166.7	-70	-164.6	73.3	0	0	111.3	V93 A95	M74-V93 HydrophobicContact CB-CB 4.36Å; M74-V93 HydrophobicContact CB-CG1 4.18Å; M74-V93 PolarHBondContact N-O 3.5Å; M74-A95 HydrophobicContact CG-CB 3.73Å; M74-A95 HydrophobicContact SD-CB 4.07Å
75	R	82.2	Confident	81.4	Confident	170 Å²	170	75.9 Å²	75.9	64%	0.642	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156	143.8	-177.6	-158.8	174.7	-177	148.7	1.2	110.5	V92 V93	R75-V92 CarbonylContact O-C 3.58Å; R75-V93 HydrophobicContact CB-CB 3.95Å; R75-V93 HydrophobicContact CB-CG2 3.92Å; R75-V93 PolarHBondContact N-O 2.71Å; R75-V93 PolarHBondContact O-N 3.16Å
76	S	83.1	Confident	80.8	Confident	16 Å²	16	70.8 Å²	70.8	11%	0.112	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.8	165	56.4	0	0	0	0	107.3	D60 D91	D60-S76 WeakPolarHBondContact OD2-CB 3.36Å; D60-S76 PolarHBondContact OD2-OG 2.83Å; S76-D91 CarbonylContact C-O 3.52Å; S76-D91 WeakPolarHBondContact CA-O 3.48Å
77	C	84.1	Confident	80.6	Confident	48 Å²	48	73.8 Å²	73.8	32%	0.324	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	114.8	174.6	-74.4	0	0	0	0	109.4	D60 A90 D91	D60-C77 WeakPolarHBondContact OD2-CA 3.36Å; D60-C77 PolarHBondContact OD2-N 2.74Å; C77-A90 CarbonylContact O-C 3.48Å; C77-A90 WeakPolarHBondContact O-CA 3.38Å; C77-D91 PolarHBondContact N-O 3.22Å; C77-D91 PolarHBondContact O-N 3.28Å
78	V	84.6	Confident	80.4	Confident	13 Å²	13	74 Å²	74	8%	0.079	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.8	166.8	175.5	0	0	0	0	109.6	D60 I63 Y80 A90	D60-V78 HydrophobicContact CB-CG2 4.26Å; I63-V78 HydrophobicContact CB-CG2 4.34Å; I63-V78 HydrophobicContact CG1-CG2 3.59Å; V78-Y80 HydrophobicContact CB-CD2 4.49Å; V78-Y80 HydrophobicContact CB-CE2 3.71Å; V78-Y80 HydrophobicContact CG1-CD1 4.46Å; V78-Y80 HydrophobicContact CG1-CD2 4.36Å; V78-Y80 HydrophobicContact CG1-CE1 3.96Å; V78-Y80 HydrophobicContact CG1-CE2 3.86Å; V78-Y80 WeakPolarHBondContact O-CD2 3.38Å; V78-Y80 VanDerWaalsContact O-CE2 3.27Å; V78-Y80 WeakPolarHBondContact O-CE2 3.16Å; V78-A90 HydrophobicContact CB-CB 4.38Å; V78-A90 HydrophobicContact CG2-CB 3.81Å
79	H	82	Confident	80.1	Confident	70 Å²	70	72.7 Å²	72.7	32%	0.324	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.3	176.1	-69.7	-140.1	0	0	0	109	L87 V89 D91	H79-L87 HydrophobicContact CB-CB 4.38Å; H79-L87 HydrophobicContact CB-CD1 4.22Å; H79-L87 PolarHBondContact O-N 2.74Å; H79-V89 HydrophobicContact CB-CB 4.27Å; H79-V89 WeakPolarHBondContact CB-O 3.17Å; H79-V89 PolarHBondContact N-O 2.73Å; H79-D91 IonicContact CD2-OD2 3.79Å; H79-D91 IonicContact CE1-OD2 3.45Å; H79-D91 PolarHBondContact CE1-OD2 3.26Å; H79-D91 IonicContact NE2-OD2 2.69Å; H79-D91 PolarHBondContact NE2-OD2 2.68Å
80	Y	81.1	Confident	80.1	Confident	105 Å²	105	67.1 Å²	67.1	41%	0.412	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.9	178.6	-59.6	-87.7	0	0	0	109.9	D60 V78 Q85 S86	D60-Y80 PolarHBondContact N-OH 3.45Å; V78-Y80 HydrophobicContact CB-CD2 4.49Å; V78-Y80 HydrophobicContact CB-CE2 3.71Å; V78-Y80 HydrophobicContact CG1-CD1 4.46Å; V78-Y80 HydrophobicContact CG1-CD2 4.36Å; V78-Y80 HydrophobicContact CG1-CE1 3.96Å; V78-Y80 HydrophobicContact CG1-CE2 3.86Å; V78-Y80 WeakPolarHBondContact O-CD2 3.38Å; V78-Y80 VanDerWaalsContact O-CE2 3.27Å; V78-Y80 WeakPolarHBondContact O-CE2 3.16Å; Y80-Q85 CarbonylContact C-O 3.09Å; Y80-S86 WeakPolarHBondContact CD1-OG 3.2Å; Y80-S86 WeakPolarHBondContact CE1-OG 3.27Å
81	D	78.4	Confident	80.3	Confident	64 Å²	64	68 Å²	68	34%	0.342	34%	0.342	S	S	.	.			trans	-68	164.8	168.9	-174.8	-106.9	0	0	0	110.7	N83 G84 Q85 L87	D81-N83 PolarHBondContact O-N 3.11Å; D81-N83 VanDerWaalsContact O-N 3.11Å; D81-N83 WeakPolarHBondContact OD1-CB 3.09Å; D81-N83 PolarHBondContact OD1-N 2.84Å; D81-N83 PolarHBondContact OD1-ND2 2.78Å; D81-G84 WeakPolarHBondContact O-CA 3.33Å; D81-G84 PolarHBondContact O-N 2.74Å; D81-Q85 WeakPolarHBondContact CB-O 3.27Å; D81-Q85 PolarHBondContact N-O 2.84Å; D81-L87 HydrophobicContact CB-CD2 3.81Å; D81-L87 HydrophobicContact CB-CG 4.25Å
82	R	81.6	Confident	80.4	Confident	244 Å²	244	67.7 Å²	67.7	92%	0.921	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27	174.7	-175	175.8	-178.8	-172.7	0.5	113	G84	R82-G84 PolarHBondContact O-N 2.77Å
83	N	83.7	Confident	80.5	Confident	126 Å²	126	66 Å²	66	67%	0.674	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.2	175.6	-61.4	-28	0	0	0	113.5	D81 Q85	D81-N83 PolarHBondContact O-N 3.11Å; D81-N83 VanDerWaalsContact O-N 3.11Å; D81-N83 WeakPolarHBondContact OD1-CB 3.09Å; D81-N83 PolarHBondContact OD1-N 2.84Å; D81-N83 PolarHBondContact OD1-ND2 2.78Å; N83-Q85 VanDerWaalsContact C-N 3.27Å; N83-Q85 HydrophobicContact CB-CG 4.23Å
84	G	76	Confident	80.4	Confident	55 Å²	55	64.3 Å²	64.3	57%	0.567	32%	0.319	S	S	*	.	S	Bend	trans	77.3	10.2	-173.9	0	0	0	0	0	113.8	D81 R82	D81-G84 WeakPolarHBondContact O-CA 3.33Å; D81-G84 PolarHBondContact O-N 2.74Å; R82-G84 PolarHBondContact O-N 2.77Å
85	Q	75.5	Confident	80.1	Confident	120 Å²	120	60.7 Å²	60.7	56%	0.561	31%	0.305	S	S	*	.			trans	-87	130.9	177	-60.1	-169.1	-84.5	0	0	109.7	Y80 D81 N83 L87	Y80-Q85 CarbonylContact C-O 3.09Å; D81-Q85 WeakPolarHBondContact CB-O 3.27Å; D81-Q85 PolarHBondContact N-O 2.84Å; N83-Q85 VanDerWaalsContact C-N 3.27Å; N83-Q85 HydrophobicContact CB-CG 4.23Å; Q85-L87 PolarHBondContact O-N 3.22Å
86	S	72.4	Confident	79.5	Confident	16 Å²	16	57.8 Å²	57.8	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	129.9	177	-48.8	0	0	0	0	110.1	A56 V58 Y80 G88	A56-S86 PolarHBondContact O-OG 3.19Å; V58-S86 PolarHBondContact O-OG 3.24Å; V58-S86 VanDerWaalsContact O-OG 3.06Å; Y80-S86 WeakPolarHBondContact CD1-OG 3.2Å; Y80-S86 WeakPolarHBondContact CE1-OG 3.27Å; S86-G88 PolarHBondContact O-N 3.08Å; S86-G88 VanDerWaalsContact O-N 3.1Å
87	L	79.5	Confident	79	Confident	100 Å²	100	64 Å²	64	52%	0.524	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-1.1	177	-72.8	175.6	0	0	0	112.9	H79 D81 Q85 V89	H79-L87 HydrophobicContact CB-CB 4.38Å; H79-L87 HydrophobicContact CB-CD1 4.22Å; H79-L87 PolarHBondContact O-N 2.74Å; D81-L87 HydrophobicContact CB-CD2 3.81Å; D81-L87 HydrophobicContact CB-CG 4.25Å; Q85-L87 PolarHBondContact O-N 3.22Å; L87-V89 VanDerWaalsContact C-N 3.26Å
88	G	76.4	Confident	78.5	Confident	4 Å²	4	65.4 Å²	65.4	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.5	18.9	-171.8	0	0	0	0	0	113	T52 N53 L54 S86	T52-G88 CarbonylContact C-O 3.6Å; T52-G88 VanDerWaalsContact CA-O 3.24Å; T52-G88 WeakPolarHBondContact CA-O 3.16Å; N53-G88 PolarHBondContact N-O 3.34Å; L54-G88 PolarHBondContact N-O 2.8Å; L54-G88 WeakPolarHBondContact O-CA 3.47Å; S86-G88 PolarHBondContact O-N 3.08Å; S86-G88 VanDerWaalsContact O-N 3.1Å
89	V	78.4	Confident	78.1	Confident	33 Å²	33	65.4 Å²	65.4	20%	0.2	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.3	179.8	-175.9	0	0	0	0	109.3	Q50 V51 T52 H79 L87	Q50-V89 HydrophobicContact CG-CG1 3.88Å; V51-V89 CarbonylContact O-C 3.04Å; V51-V89 VanDerWaalsContact O-CA 3.25Å; V51-V89 WeakPolarHBondContact O-CA 3.21Å; T52-V89 HydrophobicContact CG2-CG1 4.2Å; T52-V89 HydrophobicContact CG2-CG2 4.2Å; H79-V89 HydrophobicContact CB-CB 4.27Å; H79-V89 WeakPolarHBondContact CB-O 3.17Å; H79-V89 PolarHBondContact N-O 2.73Å; L87-V89 VanDerWaalsContact C-N 3.26Å
90	A	82.3	Confident	77.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.2	172.9	0	0	0	0	0	110.6	Q50 V51 L54 I63 C77 V78	Q50-A90 CarbonylContact C-O 3.55Å; V51-A90 HydrophobicContact CB-CB 4.48Å; V51-A90 PolarHBondContact N-O 3.44Å; V51-A90 PolarHBondContact O-N 2.95Å; L54-A90 HydrophobicContact CD1-CB 3.46Å; L54-A90 VanDerWaalsContact CD1-CB 3.46Å; I63-A90 HydrophobicContact CD1-CB 4.36Å; I63-A90 HydrophobicContact CG1-CB 4.1Å; I63-A90 HydrophobicContact CG2-CB 4.39Å; C77-A90 CarbonylContact O-C 3.48Å; C77-A90 WeakPolarHBondContact O-CA 3.38Å; V78-A90 HydrophobicContact CB-CB 4.38Å; V78-A90 HydrophobicContact CG2-CB 3.81Å
91	D	81.7	Confident	77.1	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.214	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.1	169.9	-62.7	-51.5	0	0	0	109.2	T48 Q50 S76 C77 H79	T48-D91 HydrophobicContact CG2-CB 4.04Å; Q50-D91 PolarHBondContact NE2-OD1 3.22Å; S76-D91 CarbonylContact C-O 3.52Å; S76-D91 WeakPolarHBondContact CA-O 3.48Å; C77-D91 PolarHBondContact N-O 3.22Å; C77-D91 PolarHBondContact O-N 3.28Å; H79-D91 IonicContact CD2-OD2 3.79Å; H79-D91 IonicContact CE1-OD2 3.45Å; H79-D91 PolarHBondContact CE1-OD2 3.26Å; H79-D91 IonicContact NE2-OD2 2.69Å; H79-D91 PolarHBondContact NE2-OD2 2.68Å
92	V	82.6	Confident	76.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.9	178.7	-179.9	0	0	0	0	108.8	T48 I49 V51 I63 F67 L73 R75 Y94	T48-V92 CarbonylContact C-O 3.51Å; T48-V92 WeakPolarHBondContact CA-O 3.43Å; I49-V92 HydrophobicContact CD1-CB 4.08Å; I49-V92 HydrophobicContact CD1-CG1 4.33Å; I49-V92 HydrophobicContact CG1-CB 3.63Å; I49-V92 HydrophobicContact CG1-CG1 4.23Å; I49-V92 VanDerWaalsContact CG1-O 3.31Å; I49-V92 WeakPolarHBondContact CG1-O 3.47Å; I49-V92 PolarHBondContact N-O 2.94Å; I49-V92 PolarHBondContact O-N 2.89Å; V51-V92 HydrophobicContact CG2-CG2 3.98Å; I63-V92 HydrophobicContact CG2-CG2 3.37Å; F67-V92 HydrophobicContact CB-CG1 3.99Å; F67-V92 HydrophobicContact CD1-CG1 4.25Å; F67-V92 HydrophobicContact CD2-CG2 4.02Å; F67-V92 HydrophobicContact CE2-CG2 4.23Å; F67-V92 HydrophobicContact CG-CG1 4.07Å; F67-V92 HydrophobicContact CG-CG2 4.21Å; L73-V92 HydrophobicContact CD2-CG1 3.44Å; L73-V92 VanDerWaalsContact CD2-CG1 3.44Å; R75-V92 CarbonylContact O-C 3.58Å; V92-Y94 HydrophobicContact CG1-CD2 4.15Å; V92-Y94 HydrophobicContact CG1-CE2 3.72Å
93	V	80.5	Confident	76.5	Confident	22 Å²	22	49.2 Å²	49.2	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.5	-176.9	-169.6	0	0	0	0	108.7	F47 T48 L73 M74 R75	F47-V93 WeakPolarHBondContact O-CA 3.4Å; T48-V93 HydrophobicContact CG2-CG2 4.08Å; L73-V93 CarbonylContact C-O 3.59Å; M74-V93 HydrophobicContact CB-CB 4.36Å; M74-V93 HydrophobicContact CB-CG1 4.18Å; M74-V93 PolarHBondContact N-O 3.5Å; R75-V93 HydrophobicContact CB-CB 3.95Å; R75-V93 HydrophobicContact CB-CG2 3.92Å; R75-V93 PolarHBondContact N-O 2.71Å; R75-V93 PolarHBondContact O-N 3.16Å
94	Y	80.7	Confident	75.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.9	173.1	-78.7	-87.1	0	0	0	111.9	G46 F47 I49 F67 V70 L73 V92 R96 D99 A100 A103	G46-Y94 CarbonylContact C-O 3.46Å; G46-Y94 VanDerWaalsContact CA-O 3.31Å; G46-Y94 WeakPolarHBondContact CA-O 3.25Å; F47-Y94 PolarHBondContact N-O 3.06Å; F47-Y94 PolarHBondContact O-N 3.35Å; I49-Y94 HydrophobicContact CD1-CD2 4.32Å; I49-Y94 HydrophobicContact CD1-CE2 3.73Å; I49-Y94 HydrophobicContact CG1-CE2 4.36Å; F67-Y94 VanDerWaalsContact CB-OH 3.31Å; F67-Y94 WeakPolarHBondContact CB-OH 3.19Å; F67-Y94 HydrophobicContact CD1-CE2 4.2Å; F67-Y94 WeakPolarHBondContact CD1-OH 3.11Å; F67-Y94 PolarHBondContact O-OH 2.93Å; V70-Y94 HydrophobicContact CB-CE1 4.45Å; L73-Y94 HydrophobicContact CD2-CD1 3.96Å; L73-Y94 HydrophobicContact CD2-CD2 4.38Å; L73-Y94 HydrophobicContact CD2-CE1 3.42Å; L73-Y94 VanDerWaalsContact CD2-CE1 3.42Å; L73-Y94 HydrophobicContact CD2-CE2 3.89Å; L73-Y94 HydrophobicContact CD2-CG 4.43Å; L73-Y94 HydrophobicContact CG-CE1 4.45Å; V92-Y94 HydrophobicContact CG1-CD2 4.15Å; V92-Y94 HydrophobicContact CG1-CE2 3.72Å; Y94-R96 WeakPolarHBondContact CB-O 3.49Å; Y94-R96 PolarHBondContact O-N 3.01Å; Y94-D99 HydrophobicContact CD1-CB 3.57Å; Y94-D99 HydrophobicContact CE1-CB 4.02Å; Y94-D99 HydrophobicContact CG-CB 4.18Å; Y94-A100 HydrophobicContact CD2-CB 3.82Å; Y94-A100 HydrophobicContact CG-CB 4.17Å; Y94-A103 HydrophobicContact CE2-CB 3.75Å; Y94-A103 WeakPolarHBondContact OH-CB 3.45Å
95	A	75.7	Confident	75.3	Confident	28 Å²	28	49.2 Å²	49.2	23%	0.231	24%	0.244	C	C	.	.	S	Bend	trans	-68	-25.3	172.6	0	0	0	0	0	112.5	P72 M74	P72-A95 PolarHBondContact O-N 3.21Å; M74-A95 HydrophobicContact CG-CB 3.73Å; M74-A95 HydrophobicContact SD-CB 4.07Å
96	R	70.2	Confident	74.9	Confident	109 Å²	109	45.5 Å²	45.5	41%	0.411	23%	0.227	S	C	.	.	S	Bend	trans	-128.4	137.1	-176	-58.7	177.9	176.8	178.2	-1.2	110.5	Y34 Y94 S98 D99 A100	Y34-R96 PolarHBondContact OH-NH1 2.85Å; Y94-R96 WeakPolarHBondContact CB-O 3.49Å; Y94-R96 PolarHBondContact O-N 3.01Å; R96-S98 PolarHBondContact O-N 2.78Å; R96-D99 HydrophobicContact CB-CB 4.45Å; R96-D99 WeakPolarHBondContact CB-OD2 3.33Å; R96-D99 WeakPolarHBondContact CD-OD2 3.47Å; R96-D99 PolarHBondContact O-N 2.92Å; R96-A100 PolarHBondContact O-N 3.24Å
97	R	72	Confident	74.5	Confident	148 Å²	148	45 Å²	45	56%	0.558	22%	0.223	S	C	*	.	H	α-helix	trans	-58.2	-36.2	171.6	-170.4	178.7	-167.4	176.7	5.8	112.1	F47 A100 I101	F47-R97 HydrophobicContact CD2-CB 4.21Å; F47-R97 HydrophobicContact CD2-CG 3.78Å; F47-R97 HydrophobicContact CE2-CG 3.91Å; F47-R97 HydrophobicContact CG-CB 4.46Å; F47-R97 HydrophobicContact CG-CG 4.24Å; F47-R97 HydrophobicContact CZ-CG 4.45Å; R97-A100 PolarHBondContact O-N 3.24Å; R97-I101 HydrophobicContact CG-CD1 3.8Å; R97-I101 HydrophobicContact CG-CG1 4.29Å; R97-I101 WeakPolarHBondContact O-CB 3.03Å; R97-I101 VanDerWaalsContact O-CG1 3.23Å; R97-I101 WeakPolarHBondContact O-CG1 3.48Å; R97-I101 PolarHBondContact O-N 3.11Å
98	S	72.3	Confident	73.3	Confident	76 Å²	76	41.8 Å²	41.8	53%	0.531	21%	0.214	S	C	.	.	H	α-helix	trans	-61.6	-44.6	179	-52.6	0	0	0	0	112	R96 I101 I102	R96-S98 PolarHBondContact O-N 2.78Å; S98-I101 PolarHBondContact O-N 3.31Å; S98-I102 WeakPolarHBondContact O-CD1 3.24Å; S98-I102 VanDerWaalsContact O-CG1 3.23Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 3.46Å
99	D	76.2	Confident	72	Confident	14 Å²	14	46.8 Å²	46.8	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-42.6	179.7	-59.3	-27.9	0	0	0	110.3	V70 Y94 R96 I101 I102 A103	V70-D99 WeakPolarHBondContact CG1-O 3.2Å; Y94-D99 HydrophobicContact CD1-CB 3.57Å; Y94-D99 HydrophobicContact CE1-CB 4.02Å; Y94-D99 HydrophobicContact CG-CB 4.18Å; R96-D99 HydrophobicContact CB-CB 4.45Å; R96-D99 WeakPolarHBondContact CB-OD2 3.33Å; R96-D99 WeakPolarHBondContact CD-OD2 3.47Å; R96-D99 PolarHBondContact O-N 2.92Å; D99-I101 PolarHBondContact O-N 3.39Å; D99-I102 PolarHBondContact O-N 3.3Å; D99-A103 WeakPolarHBondContact O-CB 3.16Å; D99-A103 PolarHBondContact O-N 3.14Å
100	A	72.8	Confident	70.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-43.4	172.2	0	0	0	0	0	112.7	F47 I49 Y94 R96 R97 I102 A103 M104	F47-A100 HydrophobicContact CB-CB 4.05Å; F47-A100 HydrophobicContact CD1-CB 3.22Å; F47-A100 HydrophobicContact CE1-CB 3.94Å; F47-A100 HydrophobicContact CG-CB 3.93Å; I49-A100 HydrophobicContact CG2-CB 3.77Å; Y94-A100 HydrophobicContact CD2-CB 3.82Å; Y94-A100 HydrophobicContact CG-CB 4.17Å; R96-A100 PolarHBondContact O-N 3.24Å; R97-A100 PolarHBondContact O-N 3.24Å; A100-I102 VanDerWaalsContact C-N 3.33Å; A100-I102 PolarHBondContact O-N 3.1Å; A100-A103 PolarHBondContact O-N 3.41Å; A100-M104 WeakPolarHBondContact O-CB 3.24Å; A100-M104 WeakPolarHBondContact O-CG 3.37Å; A100-M104 PolarHBondContact O-N 2.9Å
101	I	69.4	Low	68.2	Low	57 Å²	57	51.4 Å²	51.4	29%	0.292	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-39.7	176.5	-68.5	164.8	0	0	0	111.3	R97 S98 D99 M104 K105	R97-I101 HydrophobicContact CG-CD1 3.8Å; R97-I101 HydrophobicContact CG-CG1 4.29Å; R97-I101 WeakPolarHBondContact O-CB 3.03Å; R97-I101 VanDerWaalsContact O-CG1 3.23Å; R97-I101 WeakPolarHBondContact O-CG1 3.48Å; R97-I101 PolarHBondContact O-N 3.11Å; S98-I101 PolarHBondContact O-N 3.31Å; D99-I101 PolarHBondContact O-N 3.39Å; I101-M104 VanDerWaalsContact CA-CE 3.48Å; I101-M104 HydrophobicContact CB-CE 4.1Å; I101-M104 HydrophobicContact CG1-CE 3.6Å; I101-M104 PolarHBondContact O-N 3.01Å; I101-K105 HydrophobicContact CG2-CD 4.06Å; I101-K105 HydrophobicContact CG2-CG 4.41Å; I101-K105 WeakPolarHBondContact O-CB 3.48Å; I101-K105 VanDerWaalsContact O-CG 3.29Å; I101-K105 WeakPolarHBondContact O-CG 3.13Å; I101-K105 PolarHBondContact O-N 3.45Å
102	I	73.7	Confident	66.3	Low	85 Å²	85	58 Å²	58	44%	0.436	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-45.3	175.6	-65	161	0	0	0	109.4	V70 S98 D99 A100 M104 K105 Q106	V70-I102 HydrophobicContact CG1-CB 3.86Å; V70-I102 HydrophobicContact CG1-CG2 3.67Å; S98-I102 WeakPolarHBondContact O-CD1 3.24Å; S98-I102 VanDerWaalsContact O-CG1 3.23Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 3.46Å; D99-I102 PolarHBondContact O-N 3.3Å; A100-I102 VanDerWaalsContact C-N 3.33Å; A100-I102 PolarHBondContact O-N 3.1Å; I102-M104 PolarHBondContact O-N 3.12Å; I102-K105 CarbonylContact O-C 3.44Å; I102-K105 PolarHBondContact O-N 2.96Å; I102-K105 VanDerWaalsContact O-N 3.16Å; I102-Q106 WeakPolarHBondContact O-CB 3.19Å; I102-Q106 PolarHBondContact O-N 3.08Å
103	A	73.9	Confident	64.3	Low	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-45.8	176.6	0	0	0	0	0	111	I49 F67 V70 Y94 D99 A100 K105 Q106 F107	I49-A103 HydrophobicContact CD1-CB 4.07Å; F67-A103 HydrophobicContact CD1-CB 4.02Å; F67-A103 HydrophobicContact CE1-CB 4.24Å; V70-A103 HydrophobicContact CB-CB 4.29Å; V70-A103 HydrophobicContact CG1-CB 3.98Å; V70-A103 HydrophobicContact CG2-CB 4.1Å; Y94-A103 HydrophobicContact CE2-CB 3.75Å; Y94-A103 WeakPolarHBondContact OH-CB 3.45Å; D99-A103 WeakPolarHBondContact O-CB 3.16Å; D99-A103 PolarHBondContact O-N 3.14Å; A100-A103 PolarHBondContact O-N 3.41Å; A103-K105 VanDerWaalsContact C-N 3.33Å; A103-K105 PolarHBondContact O-N 2.99Å; A103-Q106 PolarHBondContact O-N 3.48Å; A103-F107 HydrophobicContact CB-CD2 4.16Å; A103-F107 HydrophobicContact CB-CE2 4.38Å; A103-F107 WeakPolarHBondContact O-CB 3.32Å; A103-F107 WeakPolarHBondContact O-CD2 2.97Å; A103-F107 PolarHBondContact O-N 3.09Å
104	M	68.6	Low	62.5	Low	35 Å²	35	67.3 Å²	67.3	17%	0.172	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-40.6	174.4	-71.7	-175.2	-63.6	0	0	112.2	V12 F47 I49 A100 I101 I102 G108	V12-M104 HydrophobicContact CB-SD 4.21Å; V12-M104 HydrophobicContact CG1-SD 3.94Å; V12-M104 HydrophobicContact CG2-CG 4.3Å; V12-M104 HydrophobicContact CG2-SD 3.64Å; F47-M104 HydrophobicContact CE1-CE 3.94Å; F47-M104 HydrophobicContact CE1-SD 4.43Å; F47-M104 HydrophobicContact CZ-CE 4.47Å; I49-M104 HydrophobicContact CB-CG 4.49Å; I49-M104 HydrophobicContact CG2-CG 3.83Å; I49-M104 HydrophobicContact CG2-SD 3.97Å; A100-M104 WeakPolarHBondContact O-CB 3.24Å; A100-M104 WeakPolarHBondContact O-CG 3.37Å; A100-M104 PolarHBondContact O-N 2.9Å; I101-M104 VanDerWaalsContact CA-CE 3.48Å; I101-M104 HydrophobicContact CB-CE 4.1Å; I101-M104 HydrophobicContact CG1-CE 3.6Å; I101-M104 PolarHBondContact O-N 3.01Å; I102-M104 PolarHBondContact O-N 3.12Å; M104-G108 WeakPolarHBondContact O-CA 3.16Å; M104-G108 PolarHBondContact O-N 3.15Å
105	K	65.8	Low	60.8	Low	147 Å²	147	76.1 Å²	76.1	64%	0.639	42%	0.415	S	S	*	.	H	α-helix	trans	-74.4	-32.3	176.6	-73.6	178.4	179.6	-173	0	112.6	I101 I102 A103 N109	I101-K105 HydrophobicContact CG2-CD 4.06Å; I101-K105 HydrophobicContact CG2-CG 4.41Å; I101-K105 WeakPolarHBondContact O-CB 3.48Å; I101-K105 VanDerWaalsContact O-CG 3.29Å; I101-K105 WeakPolarHBondContact O-CG 3.13Å; I101-K105 PolarHBondContact O-N 3.45Å; I102-K105 CarbonylContact O-C 3.44Å; I102-K105 PolarHBondContact O-N 2.96Å; I102-K105 VanDerWaalsContact O-N 3.16Å; A103-K105 VanDerWaalsContact C-N 3.33Å; A103-K105 PolarHBondContact O-N 2.99Å; K105-N109 WeakPolarHBondContact O-CB 3.28Å; K105-N109 PolarHBondContact O-N 3.34Å
106	Q	68.2	Low	58.9	Low	42 Å²	42	83.1 Å²	83.1	20%	0.196	45%	0.448	C	S	.	.	H	α-helix	trans	-75.4	-42.1	-179.6	-159.8	-171.2	69.2	0	0	109.6	K22 I102 A103	K22-Q106 WeakPolarHBondContact CD-O 3.37Å; K22-Q106 WeakPolarHBondContact CE-O 3.16Å; K22-Q106 PolarHBondContact NZ-O 3.45Å; I102-Q106 WeakPolarHBondContact O-CB 3.19Å; I102-Q106 PolarHBondContact O-N 3.08Å; A103-Q106 PolarHBondContact O-N 3.48Å
107	F	64.4	Low	57.4	Low	6 Å²	6	90.6 Å²	90.6	3%	0.026	49%	0.488	C	S	.	.	H	α-helix	trans	-98.7	-20.6	-176.4	-62.2	-61.3	0	0	0	114.8	L14 E18 I19 L66 F67 V70 A103	L14-F107 HydrophobicContact CD1-CB 3.85Å; E18-F107 WeakPolarHBondContact CB-O 3.45Å; E18-F107 VanDerWaalsContact OE1-O 3.1Å; I19-F107 HydrophobicContact CB-CD1 4.15Å; I19-F107 HydrophobicContact CG1-CB 3.93Å; I19-F107 HydrophobicContact CG1-CD1 3.64Å; I19-F107 HydrophobicContact CG1-CE1 4.48Å; I19-F107 HydrophobicContact CG1-CG 4.04Å; I19-F107 HydrophobicContact CG2-CD1 4.21Å; I19-F107 HydrophobicContact CG2-CE1 4.28Å; L66-F107 HydrophobicContact CD1-CE1 3.7Å; L66-F107 HydrophobicContact CD1-CZ 3.84Å; L66-F107 HydrophobicContact CD2-CE1 4.03Å; L66-F107 HydrophobicContact CD2-CZ 4.15Å; L66-F107 HydrophobicContact CG-CE1 3.82Å; L66-F107 HydrophobicContact CG-CE2 4.5Å; L66-F107 HydrophobicContact CG-CZ 3.64Å; F67-F107 AromaticContact CD1-CD2 3.83Å; F67-F107 HydrophobicContact CD1-CD2 3.83Å; F67-F107 AromaticContact CD1-CE2 3.67Å; F67-F107 HydrophobicContact CD1-CE2 3.67Å; F67-F107 AromaticContact CE1-CD2 3.36Å; F67-F107 HydrophobicContact CE1-CD2 3.36Å; F67-F107 AromaticContact CE1-CE2 3.69Å; F67-F107 HydrophobicContact CE1-CE2 3.69Å; F67-F107 HydrophobicContact CE1-CG 4.2Å; F67-F107 HydrophobicContact CG-CE2 4.26Å; F67-F107 AromaticContact CZ-CD2 3.92Å; F67-F107 HydrophobicContact CZ-CD2 3.92Å; F67-F107 HydrophobicContact CZ-CE2 4.28Å; F67-F107 HydrophobicContact CZ-CG 4.37Å; V70-F107 HydrophobicContact CG2-CE2 3.69Å; V70-F107 HydrophobicContact CG2-CZ 4.25Å; A103-F107 HydrophobicContact CB-CD2 4.16Å; A103-F107 HydrophobicContact CB-CE2 4.38Å; A103-F107 WeakPolarHBondContact O-CB 3.32Å; A103-F107 WeakPolarHBondContact O-CD2 2.97Å; A103-F107 PolarHBondContact O-N 3.09Å
108	G	54.5	Low	56.6	Low	32 Å²	32	87.8 Å²	87.8	33%	0.33	48%	0.484	S	S	.	.	S	Bend	trans	-107.1	9.4	178.8	0	0	0	0	0	115.4	M104 V110	M104-G108 WeakPolarHBondContact O-CA 3.16Å; M104-G108 PolarHBondContact O-N 3.15Å; G108-V110 VanDerWaalsContact C-N 3.31Å
109	N	47.4	Very low	55.8	Low	108 Å²	108	88.4 Å²	88.4	58%	0.578	48%	0.482	S	S	*	.			trans	-98.3	44.3	166.6	-163.4	31.8	0	0	0	110.4	K105	K105-N109 WeakPolarHBondContact O-CB 3.28Å; K105-N109 PolarHBondContact O-N 3.34Å
110	V	44.2	Very low	54.7	Low	54 Å²	54	92.5 Å²	92.5	33%	0.327	50%	0.504	S	S	.	.	S	Bend	trans	-75.8	126.9	133.9	-53.2	0	0	0	0	107.3	E18 G108 L112	E18-V110 HydrophobicContact CB-CB 4.29Å; E18-V110 HydrophobicContact CB-CG1 3.35Å; E18-V110 HydrophobicContact CB-CG2 4.43Å; E18-V110 HydrophobicContact CG-CB 3.68Å; E18-V110 HydrophobicContact CG-CG1 3.21Å; E18-V110 HydrophobicContact CG-CG2 3.34Å; E18-V110 WeakPolarHBondContact OE1-CA 3.32Å; E18-V110 WeakPolarHBondContact OE1-CB 3.39Å; E18-V110 VanDerWaalsContact OE1-CG1 3.32Å; E18-V110 WeakPolarHBondContact OE1-CG1 3.36Å; E18-V110 WeakPolarHBondContact OE1-CG2 2.94Å; E18-V110 PolarHBondContact OE1-N 2.63Å; E18-V110 WeakPolarHBondContact OE2-CG2 3.25Å; G108-V110 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 2.8Å
111	S	37.6	Very low	53.6	Low	77 Å²	77	97.9 Å²	97.9	54%	0.538	53%	0.534	S	S	.	.			trans	-48.7	110.3	163.8	-49.4	0	0	0	0	107.7	D113	S111-D113 PolarHBondContact O-N 2.97Å
112	L	42.7	Very low	52.6	Low	177 Å²	177	100.5 Å²	100.5	93%	0.927	55%	0.549	S	S	*	.			trans	-56.1	92.2	145.1	-75.7	157.8	0	0	0	104.3	V110 G114	V110-L112 PolarHBondContact O-N 2.8Å; L112-G114 PolarHBondContact O-N 3.29Å
113	D	40.7	Very low	51.2	Low	143 Å²	143	101.5 Å²	101.5	77%	0.765	56%	0.556	S	S	*	*			trans	-44.8	122.4	-166.2	-122.8	-84	0	0	0	112	S111 M115	S111-D113 PolarHBondContact O-N 2.97Å; D113-M115 VanDerWaalsContact C-N 3.28Å; D113-M115 PolarHBondContact O-N 2.81Å
114	G	41.7	Very low	49.6	Very low	75 Å²	75	108.8 Å²	108.8	77%	0.773	60%	0.596	S	S	*	*	S	Bend	trans	61	10.8	134.3	0	0	0	0	0	120.5	L112	L112-G114 PolarHBondContact O-N 3.29Å
115	M	45.4	Very low	48.1	Very low	186 Å²	186	114.5 Å²	114.5	92%	0.916	63%	0.629	S	S	*	*			trans	-112.4	48.7	-178.8	-147.3	159.2	-115.6	0	0	113.8	D113	D113-M115 VanDerWaalsContact C-N 3.28Å; D113-M115 PolarHBondContact O-N 2.81Å
116	L	34.7	Very low	46.6	Very low	175 Å²	175	111.8 Å²	111.8	92%	0.916	63%	0.628	S	S	*	*			trans	-122.2	90.7	149.7	-80.3	173.7	0	0	0	107.6
117	Q	38.5	Very low	44.7	Very low	266 Å²	266	118.1 Å²	118.1	100%	1.243	67%	0.667	S	S	*	*			trans	-99.8	0	152.7	-101.5	-176.5	-35.3	0	0	108.5

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