A0A5K4F771_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F771, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

						>A0A5K4F771_SCHMA|A0A5K4F771
MKRFRIHEKSIQIKKVTMDEKMQMDVISTVVAALHMYGNEYTQMKKFIESKLNKLYLPTWHYIIGYDVDRLLIANACSIPHFIQM
					

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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	44.6	Very low	63	Low	217 Å²	217	137.1 Å²	137.1	100%	1.069	61%	0.612	S	S	*	*				0	124.4	0	-79.7	172.5	166.8	0	0	109.2	R3	M1-R3 PolarHBondContact O-N 3.25Å
2	K	51.5	Low	63.8	Low	180 Å²	180	139.1 Å²	139.1	78%	0.783	62%	0.624	S	S	*	*			trans	-71.6	112.1	171.3	-78.6	-179.2	176.1	178.1	0	107.7	F4	K2-F4 PolarHBondContact O-N 3.05Å
3	R	53.7	Low	64.7	Low	237 Å²	237	134.4 Å²	134.4	89%	0.894	61%	0.607	S	S	*	*			trans	-73.6	117	171.1	-84.1	-177.5	173.5	173.5	-1.7	108.2	M1 R5	M1-R3 PolarHBondContact O-N 3.25Å; R3-R5 PolarHBondContact O-N 2.95Å
4	F	59.6	Low	65.6	Low	65 Å²	65	133.6 Å²	133.6	29%	0.285	60%	0.602	S	S	.	*			trans	-67.8	124.4	172.6	-70.4	-84.3	0	0	0	109.8	K2 I6 L34 G38 N39	K2-F4 PolarHBondContact O-N 3.05Å; F4-I6 VanDerWaalsContact C-N 3.33Å; F4-I6 HydrophobicContact CB-CD1 4.34Å; F4-I6 HydrophobicContact CB-CG1 4.46Å; F4-I6 HydrophobicContact CD1-CD1 4.12Å; F4-I6 PolarHBondContact O-N 2.78Å; F4-L34 HydrophobicContact CD2-CD2 4.35Å; F4-G38 WeakPolarHBondContact CE2-O 3.47Å; F4-N39 WeakPolarHBondContact CE2-OD1 3.32Å; F4-N39 WeakPolarHBondContact CZ-OD1 3.45Å
5	R	64.5	Low	66.4	Low	233 Å²	233	137.7 Å²	137.7	88%	0.879	62%	0.618	S	S	*	*			trans	-94.4	66	167.9	-71.1	-175.4	176.1	-179.9	-1.7	109	R3	R3-R5 PolarHBondContact O-N 2.95Å
6	I	69.4	Low	67.4	Low	41 Å²	41	132.7 Å²	132.7	21%	0.21	60%	0.601	C	S	.	*			trans	-101.6	131.1	174.7	-74	169.4	0	0	0	108.2	F4 I11 V31 L34 H35	F4-I6 VanDerWaalsContact C-N 3.33Å; F4-I6 HydrophobicContact CB-CD1 4.34Å; F4-I6 HydrophobicContact CB-CG1 4.46Å; F4-I6 HydrophobicContact CD1-CD1 4.12Å; F4-I6 PolarHBondContact O-N 2.78Å; I6-I11 HydrophobicContact CG2-CD1 4.46Å; I6-I11 HydrophobicContact CG2-CG1 4.41Å; I6-V31 HydrophobicContact CG2-CG2 4.29Å; I6-L34 HydrophobicContact CB-CD1 4.43Å; I6-L34 HydrophobicContact CD1-CD1 3.89Å; I6-L34 HydrophobicContact CG2-CD1 4.19Å; I6-H35 PolarHBondContact O-NE2 3.12Å
7	H	67.7	Low	68.3	Low	126 Å²	126	133.1 Å²	133.1	58%	0.583	62%	0.616	S	S	*	*			trans	-115.1	151.8	174.7	-69.3	-79.9	0	0	0	109.7	K9 S10	H7-K9 PolarHBondContact O-N 3.23Å; H7-K9 VanDerWaalsContact O-N 3.12Å; H7-S10 PolarHBondContact N-OG 3.35Å; H7-S10 PolarHBondContact O-N 2.96Å; H7-S10 PolarHBondContact O-OG 3.4Å
8	E	66	Low	69.1	Low	81 Å²	81	127.5 Å²	127.5	38%	0.379	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-52.1	-39.9	-179.6	-62.2	172.4	144.6	0	0	112.2	S10 I11 I27 S28 V31	E8-S10 PolarHBondContact O-N 2.88Å; E8-I11 WeakPolarHBondContact O-CB 3.26Å; E8-I11 PolarHBondContact O-N 3.37Å; E8-I11 VanDerWaalsContact O-N 3.13Å; E8-I27 HydrophobicContact CB-CG2 3.77Å; E8-I27 HydrophobicContact CG-CG2 3.77Å; E8-S28 WeakPolarHBondContact OE1-CA 3.18Å; E8-S28 WeakPolarHBondContact OE1-CB 3.46Å; E8-S28 PolarHBondContact OE1-OG 3.17Å; E8-V31 HydrophobicContact CG-CB 4.41Å; E8-V31 HydrophobicContact CG-CG2 3.94Å
9	K	69.8	Low	70	Confident	212 Å²	212	125.5 Å²	125.5	92%	0.922	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-64.4	-18.7	178.3	-60.1	-175.1	-179.4	-176.9	0	115.1	H7	H7-K9 PolarHBondContact O-N 3.23Å; H7-K9 VanDerWaalsContact O-N 3.12Å
10	S	72.2	Confident	70.8	Confident	74 Å²	74	127.2 Å²	127.2	52%	0.517	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-88.1	-6.5	178.6	58.4	0	0	0	0	113.1	H7 E8	H7-S10 PolarHBondContact N-OG 3.35Å; H7-S10 PolarHBondContact O-N 2.96Å; H7-S10 PolarHBondContact O-OG 3.4Å; E8-S10 PolarHBondContact O-N 2.88Å
11	I	73.9	Confident	71.6	Confident	42 Å²	42	128.4 Å²	128.4	22%	0.215	60%	0.596	C	S	.	*			trans	-83	122.4	-178	-67.1	167.3	0	0	0	109.5	I6 E8 I27 V31	I6-I11 HydrophobicContact CG2-CD1 4.46Å; I6-I11 HydrophobicContact CG2-CG1 4.41Å; E8-I11 WeakPolarHBondContact O-CB 3.26Å; E8-I11 PolarHBondContact O-N 3.37Å; E8-I11 VanDerWaalsContact O-N 3.13Å; I11-I27 HydrophobicContact CD1-CB 4.47Å; I11-I27 HydrophobicContact CD1-CG1 4.41Å; I11-I27 HydrophobicContact CD1-CG2 3.68Å; I11-I27 HydrophobicContact CG2-CD1 4.21Å; I11-I27 HydrophobicContact CG2-CG1 4.13Å; I11-V31 HydrophobicContact CD1-CG2 3.5Å
12	Q	72.8	Confident	73.7	Confident	161 Å²	161	119.6 Å²	119.6	75%	0.752	55%	0.553	S	S	*	*			trans	-96.4	119.7	172.5	-65.1	-173.7	9.9	0	0	110.3
13	I	75.7	Confident	75.2	Confident	78 Å²	78	112.6 Å²	112.6	40%	0.4	52%	0.523	S	S	.	.			trans	-87.9	115.3	175.4	-52.2	175.7	0	0	0	108.3	V16 Q23 I27	I13-V16 HydrophobicContact CG2-CB 3.84Å; I13-V16 HydrophobicContact CG2-CG1 3.71Å; I13-Q23 HydrophobicContact CD1-CB 4.26Å; I13-Q23 HydrophobicContact CD1-CG 4.43Å; I13-I27 HydrophobicContact CD1-CD1 3.67Å; I13-I27 HydrophobicContact CG1-CD1 4.05Å
14	K	76.4	Confident	76.9	Confident	124 Å²	124	106 Å²	106	54%	0.539	50%	0.503	S	S	.	.			trans	-86.2	-41.2	-177.7	-72.8	179.6	173.3	162.4	0	113.6	D69 R70	K14-D69 WeakPolarHBondContact CE-O 3.29Å; K14-D69 PolarHBondContact NZ-O 2.88Å; K14-R70 HydrophobicContact CD-CG 4.25Å
15	K	78.4	Confident	78.3	Confident	195 Å²	195	105.5 Å²	105.5	85%	0.848	50%	0.504	S	S	*	.			trans	-153.5	134	179.7	-173.2	174.4	-179.3	178.7	0	109.4
16	V	82	Confident	79.4	Confident	57 Å²	57	94.8 Å²	94.8	35%	0.345	46%	0.464	S	S	.	.			trans	-152.2	144	-175.2	55	0	0	0	0	111.2	I13 M18 Q23	I13-V16 HydrophobicContact CG2-CB 3.84Å; I13-V16 HydrophobicContact CG2-CG1 3.71Å; V16-M18 HydrophobicContact CG2-CB 3.69Å; V16-M18 HydrophobicContact CG2-CE 3.91Å; V16-M18 HydrophobicContact CG2-CG 4.2Å; V16-M18 VanDerWaalsContact CG2-N 3.25Å; V16-Q23 HydrophobicContact CG2-CG 3.59Å
17	T	82.4	Confident	80.3	Confident	139 Å²	139	93.6 Å²	93.6	85%	0.853	46%	0.458	S	S	*	.			trans	-116.1	4.3	172.2	50.5	0	0	0	0	112.5
18	M	82.4	Confident	81.3	Confident	33 Å²	33	90.1 Å²	90.1	16%	0.163	45%	0.448	C	S	.	.	S	Bend	trans	-91.9	152.7	-179.4	-58.7	179.4	-76.5	0	0	110.4	V16 M22 Q23 V26 W60 N75	V16-M18 HydrophobicContact CG2-CB 3.69Å; V16-M18 HydrophobicContact CG2-CE 3.91Å; V16-M18 HydrophobicContact CG2-CG 4.2Å; V16-M18 VanDerWaalsContact CG2-N 3.25Å; M18-M22 HydrophobicContact CB-CB 4.11Å; M18-M22 HydrophobicContact CB-CG 3.97Å; M18-M22 HydrophobicContact CB-SD 3.69Å; M18-M22 HydrophobicContact CG-CG 4.14Å; M18-M22 HydrophobicContact CG-SD 3.47Å; M18-M22 WeakPolarHBondContact CG-SD 3.47Å; M18-M22 HydrophobicContact SD-CG 3.82Å; M18-M22 HydrophobicContact SD-SD 3.61Å; M18-M22 VanDerWaalsContact SD-SD 3.61Å; M18-Q23 HydrophobicContact CB-CG 4.12Å; M18-Q23 PolarHBondContact O-NE2 3.42Å; M18-V26 HydrophobicContact SD-CG2 4.24Å; M18-W60 HydrophobicContact SD-CH2 3.73Å; M18-W60 HydrophobicContact SD-CZ3 3.94Å; M18-N75 PolarHBondContact SD-ND2 3Å; M18-N75 VanDerWaalsContact SD-ND2 3.42Å
19	D	86.5	Confident	82.5	Confident	90 Å²	90	86.6 Å²	86.6	48%	0.481	43%	0.432	S	S	.	.			trans	-69.7	162.4	171.3	65.6	91.3	0	0	0	111.9	K21 M22 Q23	D19-K21 VanDerWaalsContact C-N 3.26Å; D19-K21 PolarHBondContact O-N 2.99Å; D19-K21 WeakPolarHBondContact OD1-CA 3.35Å; D19-K21 VanDerWaalsContact OD1-CB 3.26Å; D19-K21 WeakPolarHBondContact OD1-CB 3.35Å; D19-K21 PolarHBondContact OD1-N 3.18Å; D19-M22 PolarHBondContact O-N 2.78Å; D19-M22 PolarHBondContact OD1-N 3.44Å; D19-M22 WeakPolarHBondContact OD2-CB 3.45Å; D19-Q23 VanDerWaalsContact O-CG 3.29Å; D19-Q23 WeakPolarHBondContact O-CG 3.48Å; D19-Q23 PolarHBondContact O-N 3.24Å
20	E	85.9	Confident	83.3	Confident	158 Å²	158	76.5 Å²	76.5	74%	0.738	39%	0.388	S	S	*	.	H	α-helix	trans	-59.2	-34.7	-176.3	-71.1	-174.3	166.5	0	0	113.3	Q23 M24	E20-Q23 WeakPolarHBondContact O-CB 3.34Å; E20-Q23 PolarHBondContact O-N 2.61Å; E20-M24 WeakPolarHBondContact O-CG 3.46Å; E20-M24 PolarHBondContact O-N 2.94Å
21	K	88.3	Confident	83.9	Confident	154 Å²	154	73.7 Å²	73.7	67%	0.67	37%	0.368	S	S	*	.	H	α-helix	trans	-67.4	-47	178.3	178.6	-175.2	177	-173.7	0	109.9	D19 Q23 M24 D25	D19-K21 VanDerWaalsContact C-N 3.26Å; D19-K21 PolarHBondContact O-N 2.99Å; D19-K21 WeakPolarHBondContact OD1-CA 3.35Å; D19-K21 VanDerWaalsContact OD1-CB 3.26Å; D19-K21 WeakPolarHBondContact OD1-CB 3.35Å; D19-K21 PolarHBondContact OD1-N 3.18Å; K21-Q23 VanDerWaalsContact C-N 3.29Å; K21-Q23 PolarHBondContact O-N 3.13Å; K21-M24 PolarHBondContact O-N 3.12Å; K21-D25 PolarHBondContact O-N 2.63Å
22	M	87.7	Confident	84.6	Confident	32 Å²	32	73.3 Å²	73.3	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-38.2	174.9	-177.1	-178.6	-76.8	0	0	112.3	M18 D19 D25 V26 Y56 W60	M18-M22 HydrophobicContact CB-CB 4.11Å; M18-M22 HydrophobicContact CB-CG 3.97Å; M18-M22 HydrophobicContact CB-SD 3.69Å; M18-M22 HydrophobicContact CG-CG 4.14Å; M18-M22 HydrophobicContact CG-SD 3.47Å; M18-M22 WeakPolarHBondContact CG-SD 3.47Å; M18-M22 HydrophobicContact SD-CG 3.82Å; M18-M22 HydrophobicContact SD-SD 3.61Å; M18-M22 VanDerWaalsContact SD-SD 3.61Å; D19-M22 PolarHBondContact O-N 2.78Å; D19-M22 PolarHBondContact OD1-N 3.44Å; D19-M22 WeakPolarHBondContact OD2-CB 3.45Å; M22-D25 PolarHBondContact O-N 3.14Å; M22-V26 WeakPolarHBondContact O-CB 3.46Å; M22-V26 WeakPolarHBondContact O-CG2 3.22Å; M22-V26 PolarHBondContact O-N 2.78Å; M22-Y56 WeakPolarHBondContact CA-OH 3.42Å; M22-Y56 HydrophobicContact CB-CE1 4.39Å; M22-Y56 HydrophobicContact CE-CD1 3.38Å; M22-Y56 HydrophobicContact CE-CD2 4.26Å; M22-Y56 HydrophobicContact CE-CE1 3.63Å; M22-Y56 HydrophobicContact CE-CE2 4.45Å; M22-Y56 HydrophobicContact CE-CG 3.71Å; M22-Y56 HydrophobicContact CG-CD2 4.43Å; M22-Y56 HydrophobicContact CG-CE1 4.15Å; M22-Y56 HydrophobicContact CG-CE2 3.91Å; M22-W60 HydrophobicContact CE-CZ2 4.32Å; M22-W60 HydrophobicContact CG-CH2 4.03Å; M22-W60 HydrophobicContact SD-CH2 3.8Å; M22-W60 HydrophobicContact SD-CZ2 4.06Å
23	Q	84.8	Confident	85.3	Confident	33 Å²	33	65.7 Å²	65.7	15%	0.154	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-47	174	-72.5	176.7	49.6	0	0	112.3	I13 V16 M18 D19 E20 K21 V26 I27	I13-Q23 HydrophobicContact CD1-CB 4.26Å; I13-Q23 HydrophobicContact CD1-CG 4.43Å; V16-Q23 HydrophobicContact CG2-CG 3.59Å; M18-Q23 HydrophobicContact CB-CG 4.12Å; M18-Q23 PolarHBondContact O-NE2 3.42Å; D19-Q23 VanDerWaalsContact O-CG 3.29Å; D19-Q23 WeakPolarHBondContact O-CG 3.48Å; D19-Q23 PolarHBondContact O-N 3.24Å; E20-Q23 WeakPolarHBondContact O-CB 3.34Å; E20-Q23 PolarHBondContact O-N 2.61Å; K21-Q23 VanDerWaalsContact C-N 3.29Å; K21-Q23 PolarHBondContact O-N 3.13Å; Q23-V26 PolarHBondContact O-N 3.18Å; Q23-I27 WeakPolarHBondContact O-CB 3.37Å; Q23-I27 WeakPolarHBondContact O-CG1 3.06Å; Q23-I27 PolarHBondContact O-N 2.9Å
24	M	87.5	Confident	85.6	Confident	97 Å²	97	62.9 Å²	62.9	48%	0.478	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-41	179.6	-73.1	-56.6	-58.6	0	0	112.1	E20 K21 V26 I27 S28	E20-M24 WeakPolarHBondContact O-CG 3.46Å; E20-M24 PolarHBondContact O-N 2.94Å; K21-M24 PolarHBondContact O-N 3.12Å; M24-V26 VanDerWaalsContact C-N 3.33Å; M24-V26 PolarHBondContact O-N 3.3Å; M24-I27 PolarHBondContact O-N 3.45Å; M24-I27 HydrophobicContact SD-CD1 4.49Å; M24-S28 WeakPolarHBondContact O-CB 3.18Å; M24-S28 PolarHBondContact O-N 2.73Å
25	D	89.7	Confident	86	Confident	55 Å²	55	62.2 Å²	62.2	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.4	-74.6	-24.5	0	0	0	111.5	K21 M22 T29 Y56	K21-D25 PolarHBondContact O-N 2.63Å; M22-D25 PolarHBondContact O-N 3.14Å; D25-T29 VanDerWaalsContact O-CB 3.29Å; D25-T29 WeakPolarHBondContact O-CB 3.05Å; D25-T29 PolarHBondContact O-N 2.89Å; D25-T29 PolarHBondContact O-OG1 3.36Å; D25-Y56 HydrophobicContact CB-CE2 4.36Å; D25-Y56 WeakPolarHBondContact CB-OH 3.13Å; D25-Y56 VanDerWaalsContact CG-OH 3.24Å; D25-Y56 PolarHBondContact OD2-OH 2.95Å
26	V	87.8	Confident	86.5	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-48.6	173.9	170.7	0	0	0	0	111	M18 M22 Q23 M24 S28 T29 V30 L52 W60 I73	M18-V26 HydrophobicContact SD-CG2 4.24Å; M22-V26 WeakPolarHBondContact O-CB 3.46Å; M22-V26 WeakPolarHBondContact O-CG2 3.22Å; M22-V26 PolarHBondContact O-N 2.78Å; Q23-V26 PolarHBondContact O-N 3.18Å; M24-V26 VanDerWaalsContact C-N 3.33Å; M24-V26 PolarHBondContact O-N 3.3Å; V26-S28 PolarHBondContact O-N 3.3Å; V26-T29 PolarHBondContact O-N 3.03Å; V26-V30 WeakPolarHBondContact O-CG2 3.12Å; V26-V30 PolarHBondContact O-N 3.47Å; V26-L52 HydrophobicContact CG2-CD1 4.08Å; V26-L52 HydrophobicContact CG2-CD2 3.74Å; V26-W60 HydrophobicContact CG2-CH2 3.82Å; V26-W60 HydrophobicContact CG2-CZ3 3.65Å; V26-I73 HydrophobicContact CG1-CB 4.16Å; V26-I73 HydrophobicContact CG1-CD1 3.43Å; V26-I73 VanDerWaalsContact CG1-CD1 3.43Å; V26-I73 HydrophobicContact CG1-CG1 4.34Å; V26-I73 HydrophobicContact CG1-CG2 4.04Å
27	I	87.4	Confident	86.8	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-50.8	178.4	-79.7	169.3	0	0	0	110.8	E8 I11 I13 Q23 M24 T29 V30 V31	E8-I27 HydrophobicContact CB-CG2 3.77Å; E8-I27 HydrophobicContact CG-CG2 3.77Å; I11-I27 HydrophobicContact CD1-CB 4.47Å; I11-I27 HydrophobicContact CD1-CG1 4.41Å; I11-I27 HydrophobicContact CD1-CG2 3.68Å; I11-I27 HydrophobicContact CG2-CD1 4.21Å; I11-I27 HydrophobicContact CG2-CG1 4.13Å; I13-I27 HydrophobicContact CD1-CD1 3.67Å; I13-I27 HydrophobicContact CG1-CD1 4.05Å; Q23-I27 WeakPolarHBondContact O-CB 3.37Å; Q23-I27 WeakPolarHBondContact O-CG1 3.06Å; Q23-I27 PolarHBondContact O-N 2.9Å; M24-I27 PolarHBondContact O-N 3.45Å; M24-I27 HydrophobicContact SD-CD1 4.49Å; I27-T29 VanDerWaalsContact C-N 3.28Å; I27-T29 PolarHBondContact O-N 2.76Å; I27-V30 PolarHBondContact O-N 2.85Å; I27-V30 VanDerWaalsContact O-N 3.12Å; I27-V31 HydrophobicContact CG2-CG2 4.45Å; I27-V31 WeakPolarHBondContact O-CG2 3.36Å; I27-V31 PolarHBondContact O-N 3.04Å
28	S	90.3	Very high	86.6	Confident	54 Å²	54	52.3 Å²	52.3	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-40.1	-178	-155.7	0	0	0	0	111.2	E8 M24 V26 V30 V31 A32	E8-S28 WeakPolarHBondContact OE1-CA 3.18Å; E8-S28 WeakPolarHBondContact OE1-CB 3.46Å; E8-S28 PolarHBondContact OE1-OG 3.17Å; M24-S28 WeakPolarHBondContact O-CB 3.18Å; M24-S28 PolarHBondContact O-N 2.73Å; V26-S28 PolarHBondContact O-N 3.3Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.26Å; S28-V31 PolarHBondContact O-N 3.42Å; S28-A32 WeakPolarHBondContact O-CB 3.36Å; S28-A32 PolarHBondContact O-N 3.4Å
29	T	90.6	Very high	86.3	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-39.7	175.9	-61.8	0	0	0	0	112.2	D25 V26 I27 A33 F47 I48 K51	D25-T29 VanDerWaalsContact O-CB 3.29Å; D25-T29 WeakPolarHBondContact O-CB 3.05Å; D25-T29 PolarHBondContact O-N 2.89Å; D25-T29 PolarHBondContact O-OG1 3.36Å; V26-T29 PolarHBondContact O-N 3.03Å; I27-T29 VanDerWaalsContact C-N 3.28Å; I27-T29 PolarHBondContact O-N 2.76Å; T29-A33 WeakPolarHBondContact O-CB 3.41Å; T29-A33 PolarHBondContact O-N 3.09Å; T29-F47 HydrophobicContact CG2-CD1 4.38Å; T29-F47 HydrophobicContact CG2-CE1 4.08Å; T29-I48 HydrophobicContact CG2-CB 4.37Å; T29-I48 HydrophobicContact CG2-CG1 4.18Å; T29-I48 HydrophobicContact CG2-CG2 4.33Å; T29-K51 HydrophobicContact CG2-CB 3.91Å; T29-K51 HydrophobicContact CG2-CD 4.12Å; T29-K51 HydrophobicContact CG2-CG 4.07Å
30	V	86	Confident	86.2	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-73	-43.3	179.4	177	0	0	0	0	111.8	V26 I27 S28 A32 A33 L34 I48 Y62 L71 I73	V26-V30 WeakPolarHBondContact O-CG2 3.12Å; V26-V30 PolarHBondContact O-N 3.47Å; I27-V30 PolarHBondContact O-N 2.85Å; I27-V30 VanDerWaalsContact O-N 3.12Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.26Å; V30-A32 VanDerWaalsContact C-N 3.28Å; V30-A32 PolarHBondContact O-N 2.74Å; V30-A33 WeakPolarHBondContact O-CB 3.21Å; V30-A33 PolarHBondContact O-N 2.9Å; V30-A33 VanDerWaalsContact O-N 3.16Å; V30-L34 HydrophobicContact CG1-CD1 4.02Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CG 3.17Å; V30-L34 PolarHBondContact O-N 3.29Å; V30-I48 HydrophobicContact CB-CD1 4.45Å; V30-I48 HydrophobicContact CG1-CD1 4.5Å; V30-I48 HydrophobicContact CG2-CD1 3.98Å; V30-I48 HydrophobicContact CG2-CG1 4.47Å; V30-Y62 HydrophobicContact CG2-CE2 4.49Å; V30-L71 HydrophobicContact CB-CD2 4.23Å; V30-L71 HydrophobicContact CG1-CD1 4.03Å; V30-L71 HydrophobicContact CG1-CD2 3.73Å; V30-L71 HydrophobicContact CG2-CD2 3.97Å; V30-I73 HydrophobicContact CG2-CD1 3.2Å
31	V	85	Confident	85.9	Confident	14 Å²	14	49.5 Å²	49.5	9%	0.085	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-43.9	176.6	173.9	0	0	0	0	110	I6 E8 I11 I27 S28 A33 L34 H35	I6-V31 HydrophobicContact CG2-CG2 4.29Å; E8-V31 HydrophobicContact CG-CB 4.41Å; E8-V31 HydrophobicContact CG-CG2 3.94Å; I11-V31 HydrophobicContact CD1-CG2 3.5Å; I27-V31 HydrophobicContact CG2-CG2 4.45Å; I27-V31 WeakPolarHBondContact O-CG2 3.36Å; I27-V31 PolarHBondContact O-N 3.04Å; S28-V31 PolarHBondContact O-N 3.42Å; V31-A33 PolarHBondContact O-N 3.41Å; V31-L34 PolarHBondContact O-N 3.35Å; V31-H35 PolarHBondContact O-CD2 3.4Å; V31-H35 VanDerWaalsContact O-CD2 3.27Å; V31-H35 PolarHBondContact O-N 3.44Å
32	A	89.2	Confident	85.8	Confident	35 Å²	35	47.1 Å²	47.1	29%	0.289	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-46.1	173.9	0	0	0	0	0	111.8	S28 V30 L34 H35 M36 F47	S28-A32 WeakPolarHBondContact O-CB 3.36Å; S28-A32 PolarHBondContact O-N 3.4Å; V30-A32 VanDerWaalsContact C-N 3.28Å; V30-A32 PolarHBondContact O-N 2.74Å; A32-L34 PolarHBondContact O-N 3.43Å; A32-H35 PolarHBondContact O-N 3.16Å; A32-M36 WeakPolarHBondContact O-CB 3.29Å; A32-M36 VanDerWaalsContact O-CG 3.29Å; A32-M36 WeakPolarHBondContact O-CG 3.49Å; A32-M36 PolarHBondContact O-N 3.24Å; A32-F47 HydrophobicContact CB-CE1 4.42Å
33	A	86.7	Confident	85.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-42.8	177.7	0	0	0	0	0	112.3	T29 V30 V31 H35 M36 Y37 M44 F47 I48	T29-A33 WeakPolarHBondContact O-CB 3.41Å; T29-A33 PolarHBondContact O-N 3.09Å; V30-A33 WeakPolarHBondContact O-CB 3.21Å; V30-A33 PolarHBondContact O-N 2.9Å; V30-A33 VanDerWaalsContact O-N 3.16Å; V31-A33 PolarHBondContact O-N 3.41Å; A33-H35 VanDerWaalsContact C-N 3.33Å; A33-H35 PolarHBondContact O-N 3.44Å; A33-M36 PolarHBondContact O-N 2.89Å; A33-Y37 HydrophobicContact CB-CD2 4.32Å; A33-Y37 WeakPolarHBondContact O-CB 3.41Å; A33-Y37 VanDerWaalsContact O-CD2 3.3Å; A33-Y37 WeakPolarHBondContact O-CD2 3.19Å; A33-Y37 PolarHBondContact O-N 3Å; A33-M44 HydrophobicContact CB-CB 4.24Å; A33-M44 HydrophobicContact CB-CE 4.25Å; A33-M44 HydrophobicContact CB-CG 4.14Å; A33-F47 HydrophobicContact CB-CD1 3.76Å; A33-F47 HydrophobicContact CB-CE1 4.22Å; A33-I48 HydrophobicContact CB-CD1 3.86Å; A33-I48 HydrophobicContact CB-CG1 3.78Å
34	L	83.2	Confident	85.9	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-40.4	176.3	-78.8	165.1	0	0	0	112	F4 I6 V30 V31 A32 G38 M44	F4-L34 HydrophobicContact CD2-CD2 4.35Å; I6-L34 HydrophobicContact CB-CD1 4.43Å; I6-L34 HydrophobicContact CD1-CD1 3.89Å; I6-L34 HydrophobicContact CG2-CD1 4.19Å; V30-L34 HydrophobicContact CG1-CD1 4.02Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CG 3.17Å; V30-L34 PolarHBondContact O-N 3.29Å; V31-L34 PolarHBondContact O-N 3.35Å; A32-L34 PolarHBondContact O-N 3.43Å; L34-G38 VanDerWaalsContact O-CA 3.29Å; L34-G38 WeakPolarHBondContact O-CA 3.48Å; L34-G38 PolarHBondContact O-N 2.87Å; L34-M44 HydrophobicContact CB-CE 4.48Å; L34-M44 HydrophobicContact CD2-CE 3.51Å; L34-M44 HydrophobicContact CD2-SD 4.04Å; L34-M44 HydrophobicContact CG-CE 3.62Å
35	H	84	Confident	85.8	Confident	111 Å²	111	48.4 Å²	48.4	51%	0.514	25%	0.252	S	S	.	.	H	α-helix	trans	-69.7	-37.5	178.4	-76.5	-156.3	0	0	0	112	I6 V31 A32 A33	I6-H35 PolarHBondContact O-NE2 3.12Å; V31-H35 PolarHBondContact O-CD2 3.4Å; V31-H35 VanDerWaalsContact O-CD2 3.27Å; V31-H35 PolarHBondContact O-N 3.44Å; A32-H35 PolarHBondContact O-N 3.16Å; A33-H35 VanDerWaalsContact C-N 3.33Å; A33-H35 PolarHBondContact O-N 3.44Å
36	M	88.9	Confident	85.8	Confident	116 Å²	116	52.6 Å²	52.6	57%	0.571	27%	0.268	S	S	*	.	H	α-helix	trans	-77.3	-44.5	-178.2	-70.3	178.5	70.5	0	0	113.2	A32 A33 F47	A32-M36 WeakPolarHBondContact O-CB 3.29Å; A32-M36 VanDerWaalsContact O-CG 3.29Å; A32-M36 WeakPolarHBondContact O-CG 3.49Å; A32-M36 PolarHBondContact O-N 3.24Å; A33-M36 PolarHBondContact O-N 2.89Å; M36-F47 HydrophobicContact SD-CE2 4.11Å; M36-F47 HydrophobicContact SD-CZ 4.18Å
37	Y	87.5	Confident	85.9	Confident	52 Å²	52	54.3 Å²	54.3	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-111.4	-14.6	-167.3	-58.4	-67.2	0	0	0	113.6	A33 N39 E40 Q43 M44 F47	A33-Y37 HydrophobicContact CB-CD2 4.32Å; A33-Y37 WeakPolarHBondContact O-CB 3.41Å; A33-Y37 VanDerWaalsContact O-CD2 3.3Å; A33-Y37 WeakPolarHBondContact O-CD2 3.19Å; A33-Y37 PolarHBondContact O-N 3Å; Y37-N39 PolarHBondContact O-N 3.27Å; Y37-E40 WeakPolarHBondContact O-CB 3.43Å; Y37-E40 PolarHBondContact O-N 2.99Å; Y37-Q43 HydrophobicContact CD1-CB 3.47Å; Y37-Q43 VanDerWaalsContact CD1-CB 3.47Å; Y37-Q43 HydrophobicContact CD1-CG 4.27Å; Y37-Q43 HydrophobicContact CD2-CB 4.47Å; Y37-Q43 HydrophobicContact CE1-CB 3.78Å; Y37-Q43 HydrophobicContact CG-CB 3.86Å; Y37-M44 HydrophobicContact CD2-CG 3.97Å; Y37-M44 HydrophobicContact CG-CG 4.15Å; Y37-F47 HydrophobicContact CD2-CB 4.48Å; Y37-F47 HydrophobicContact CE2-CB 3.62Å; Y37-F47 HydrophobicContact CE2-CD1 4.42Å; Y37-F47 AromaticContact CE2-CD2 3.93Å; Y37-F47 HydrophobicContact CE2-CD2 3.93Å; Y37-F47 AromaticContact CE2-CG 3.74Å; Y37-F47 HydrophobicContact CE2-CG 3.74Å
38	G	78.6	Confident	86	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-104.7	179.6	0	0	0	0	0	112.8	F4 L34 M44	F4-G38 WeakPolarHBondContact CE2-O 3.47Å; L34-G38 VanDerWaalsContact O-CA 3.29Å; L34-G38 WeakPolarHBondContact O-CA 3.48Å; L34-G38 PolarHBondContact O-N 2.87Å; G38-M44 VanDerWaalsContact O-SD 3.39Å
39	N	75.6	Confident	85.9	Confident	73 Å²	73	52.9 Å²	52.9	39%	0.39	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.4	-179	-77	-7.8	0	0	0	113.5	F4 Y37 Y41	F4-N39 WeakPolarHBondContact CE2-OD1 3.32Å; F4-N39 WeakPolarHBondContact CZ-OD1 3.45Å; Y37-N39 PolarHBondContact O-N 3.27Å; N39-Y41 VanDerWaalsContact C-N 3.25Å; N39-Y41 WeakPolarHBondContact O-CD2 3.45Å; N39-Y41 VanDerWaalsContact O-CE2 3.27Å; N39-Y41 WeakPolarHBondContact O-CE2 3.43Å; N39-Y41 PolarHBondContact O-N 3.04Å
40	E	85.2	Confident	85.9	Confident	84 Å²	84	55.4 Å²	55.4	39%	0.393	28%	0.28	S	S	.	.			trans	-80.3	72.8	-179.1	-62.5	-170.8	174.2	0	0	111.4	Y37 T42 Q43 M44	Y37-E40 WeakPolarHBondContact O-CB 3.43Å; Y37-E40 PolarHBondContact O-N 2.99Å; E40-T42 PolarHBondContact O-N 3.31Å; E40-T42 VanDerWaalsContact O-N 3.14Å; E40-Q43 HydrophobicContact CB-CB 4.25Å; E40-Q43 HydrophobicContact CB-CG 4.2Å; E40-Q43 PolarHBondContact O-N 3.47Å; E40-Q43 PolarHBondContact OE2-NE2 3.37Å; E40-M44 PolarHBondContact O-N 2.96Å
41	Y	80.5	Confident	86.1	Confident	64 Å²	64	59.9 Å²	59.9	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-55.4	-36.3	-172.7	-57.5	-61.6	0	0	0	114	N39 Q43 M44 K45 I64 Y66	N39-Y41 VanDerWaalsContact C-N 3.25Å; N39-Y41 WeakPolarHBondContact O-CD2 3.45Å; N39-Y41 VanDerWaalsContact O-CE2 3.27Å; N39-Y41 WeakPolarHBondContact O-CE2 3.43Å; N39-Y41 PolarHBondContact O-N 3.04Å; Y41-Q43 VanDerWaalsContact C-N 3.31Å; Y41-Q43 PolarHBondContact O-N 3.5Å; Y41-M44 HydrophobicContact CD1-SD 4.32Å; Y41-M44 PolarHBondContact O-N 3.29Å; Y41-K45 VanDerWaalsContact O-CB 3.29Å; Y41-K45 WeakPolarHBondContact O-CB 3.47Å; Y41-K45 PolarHBondContact O-N 3.46Å; Y41-I64 HydrophobicContact CD1-CD1 3.61Å; Y41-I64 HydrophobicContact CD1-CG2 3.76Å; Y41-I64 HydrophobicContact CE1-CD1 3.72Å; Y41-I64 HydrophobicContact CE1-CG2 4.4Å; Y41-I64 HydrophobicContact CG-CG2 4.14Å; Y41-Y66 HydrophobicContact CE2-CD2 4.41Å; Y41-Y66 AromaticContact CE2-CE2 3.56Å; Y41-Y66 HydrophobicContact CE2-CE2 3.56Å; Y41-Y66 AromaticContact CZ-CE2 3.49Å; Y41-Y66 VanDerWaalsContact CZ-CE2 3.49Å; Y41-Y66 AromaticContact CZ-CZ 4Å; Y41-Y66 WeakPolarHBondContact OH-CE2 3.2Å; Y41-Y66 PolarHBondContact OH-OH 2.91Å
42	T	85.2	Confident	86.2	Confident	105 Å²	105	59.3 Å²	59.3	64%	0.644	30%	0.295	S	S	*	.	H	α-helix	trans	-63.2	-38.8	177.4	-52.7	0	0	0	0	111.7	E40 K46	E40-T42 PolarHBondContact O-N 3.31Å; E40-T42 VanDerWaalsContact O-N 3.14Å; T42-K46 WeakPolarHBondContact O-CG 3.35Å; T42-K46 PolarHBondContact O-N 2.94Å
43	Q	89.1	Confident	86.1	Confident	97 Å²	97	59.6 Å²	59.6	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-73.1	-43.1	176.7	-61.6	-147.5	36.3	0	0	111.1	Y37 E40 Y41 K45 K46 F47	Y37-Q43 HydrophobicContact CD1-CB 3.47Å; Y37-Q43 VanDerWaalsContact CD1-CB 3.47Å; Y37-Q43 HydrophobicContact CD1-CG 4.27Å; Y37-Q43 HydrophobicContact CD2-CB 4.47Å; Y37-Q43 HydrophobicContact CE1-CB 3.78Å; Y37-Q43 HydrophobicContact CG-CB 3.86Å; E40-Q43 HydrophobicContact CB-CB 4.25Å; E40-Q43 HydrophobicContact CB-CG 4.2Å; E40-Q43 PolarHBondContact O-N 3.47Å; E40-Q43 PolarHBondContact OE2-NE2 3.37Å; Y41-Q43 VanDerWaalsContact C-N 3.31Å; Y41-Q43 PolarHBondContact O-N 3.5Å; Q43-K45 VanDerWaalsContact C-N 3.34Å; Q43-K45 PolarHBondContact O-N 3.24Å; Q43-K46 PolarHBondContact O-N 3.46Å; Q43-F47 WeakPolarHBondContact O-CB 3.33Å; Q43-F47 PolarHBondContact O-N 3.25Å
44	M	86.1	Confident	86.2	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56.5	-48.3	175	-70.4	-179.4	54.2	0	0	112	A33 L34 Y37 G38 E40 Y41 K46 F47 I48 I64	A33-M44 HydrophobicContact CB-CB 4.24Å; A33-M44 HydrophobicContact CB-CE 4.25Å; A33-M44 HydrophobicContact CB-CG 4.14Å; L34-M44 HydrophobicContact CB-CE 4.48Å; L34-M44 HydrophobicContact CD2-CE 3.51Å; L34-M44 HydrophobicContact CD2-SD 4.04Å; L34-M44 HydrophobicContact CG-CE 3.62Å; Y37-M44 HydrophobicContact CD2-CG 3.97Å; Y37-M44 HydrophobicContact CG-CG 4.15Å; G38-M44 VanDerWaalsContact O-SD 3.39Å; E40-M44 PolarHBondContact O-N 2.96Å; Y41-M44 HydrophobicContact CD1-SD 4.32Å; Y41-M44 PolarHBondContact O-N 3.29Å; M44-K46 PolarHBondContact O-N 3.41Å; M44-F47 PolarHBondContact O-N 2.95Å; M44-I48 HydrophobicContact CB-CD1 4.47Å; M44-I48 WeakPolarHBondContact O-CB 3.22Å; M44-I48 VanDerWaalsContact O-CG1 3.24Å; M44-I48 WeakPolarHBondContact O-CG1 3.15Å; M44-I48 PolarHBondContact O-N 3.29Å; M44-I64 HydrophobicContact CE-CD1 4.08Å
45	K	84.9	Confident	86.4	Confident	91 Å²	91	71.3 Å²	71.3	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-55.5	-52.9	179	175.7	171	-176.8	-178.3	0	111	Y41 Q43 F47 I48 E49 Y62	Y41-K45 VanDerWaalsContact O-CB 3.29Å; Y41-K45 WeakPolarHBondContact O-CB 3.47Å; Y41-K45 PolarHBondContact O-N 3.46Å; Q43-K45 VanDerWaalsContact C-N 3.34Å; Q43-K45 PolarHBondContact O-N 3.24Å; K45-F47 VanDerWaalsContact C-N 3.3Å; K45-F47 PolarHBondContact O-N 2.88Å; K45-I48 PolarHBondContact O-N 3.06Å; K45-E49 WeakPolarHBondContact CE-OE1 3.3Å; K45-E49 HydrophobicContact CG-CG 4.36Å; K45-E49 IonicContact NZ-OE1 3.85Å; K45-E49 WeakPolarHBondContact O-CB 3.15Å; K45-E49 WeakPolarHBondContact O-CG 3.37Å; K45-E49 PolarHBondContact O-N 3.42Å; K45-Y62 HydrophobicContact CB-CD1 3.85Å; K45-Y62 HydrophobicContact CB-CE1 4.47Å; K45-Y62 HydrophobicContact CG-CD1 4.03Å
46	K	89.4	Confident	86.5	Confident	144 Å²	144	69 Å²	69	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-59.7	-41.2	179	-73.4	179.9	-180	-177.8	0	112.1	T42 Q43 M44 S50	T42-K46 WeakPolarHBondContact O-CG 3.35Å; T42-K46 PolarHBondContact O-N 2.94Å; Q43-K46 PolarHBondContact O-N 3.46Å; M44-K46 PolarHBondContact O-N 3.41Å; K46-S50 WeakPolarHBondContact O-CB 3.24Å; K46-S50 PolarHBondContact O-N 3.21Å
47	F	90.6	Very high	86.1	Confident	44 Å²	44	69.8 Å²	69.8	19%	0.193	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-49.8	178.1	177.2	-91.1	0	0	0	111.8	T29 A32 A33 M36 Y37 Q43 M44 K45 S50 K51	T29-F47 HydrophobicContact CG2-CD1 4.38Å; T29-F47 HydrophobicContact CG2-CE1 4.08Å; A32-F47 HydrophobicContact CB-CE1 4.42Å; A33-F47 HydrophobicContact CB-CD1 3.76Å; A33-F47 HydrophobicContact CB-CE1 4.22Å; M36-F47 HydrophobicContact SD-CE2 4.11Å; M36-F47 HydrophobicContact SD-CZ 4.18Å; Y37-F47 HydrophobicContact CD2-CB 4.48Å; Y37-F47 HydrophobicContact CE2-CB 3.62Å; Y37-F47 HydrophobicContact CE2-CD1 4.42Å; Y37-F47 AromaticContact CE2-CD2 3.93Å; Y37-F47 HydrophobicContact CE2-CD2 3.93Å; Y37-F47 AromaticContact CE2-CG 3.74Å; Y37-F47 HydrophobicContact CE2-CG 3.74Å; Q43-F47 WeakPolarHBondContact O-CB 3.33Å; Q43-F47 PolarHBondContact O-N 3.25Å; M44-F47 PolarHBondContact O-N 2.95Å; K45-F47 VanDerWaalsContact C-N 3.3Å; K45-F47 PolarHBondContact O-N 2.88Å; F47-S50 PolarHBondContact O-N 3.46Å; F47-K51 HydrophobicContact CE1-CD 4.21Å; F47-K51 HydrophobicContact CZ-CD 4.01Å; F47-K51 VanDerWaalsContact O-CB 3.3Å; F47-K51 WeakPolarHBondContact O-CB 3.35Å; F47-K51 PolarHBondContact O-N 3.32Å
48	I	88.9	Confident	85.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-49.3	-177.9	-65.2	164.4	0	0	0	110.1	T29 V30 A33 M44 K45 S50 K51 L52 Y62	T29-I48 HydrophobicContact CG2-CB 4.37Å; T29-I48 HydrophobicContact CG2-CG1 4.18Å; T29-I48 HydrophobicContact CG2-CG2 4.33Å; V30-I48 HydrophobicContact CB-CD1 4.45Å; V30-I48 HydrophobicContact CG1-CD1 4.5Å; V30-I48 HydrophobicContact CG2-CD1 3.98Å; V30-I48 HydrophobicContact CG2-CG1 4.47Å; A33-I48 HydrophobicContact CB-CD1 3.86Å; A33-I48 HydrophobicContact CB-CG1 3.78Å; M44-I48 HydrophobicContact CB-CD1 4.47Å; M44-I48 WeakPolarHBondContact O-CB 3.22Å; M44-I48 VanDerWaalsContact O-CG1 3.24Å; M44-I48 WeakPolarHBondContact O-CG1 3.15Å; M44-I48 PolarHBondContact O-N 3.29Å; K45-I48 PolarHBondContact O-N 3.06Å; I48-S50 PolarHBondContact O-N 3.39Å; I48-K51 PolarHBondContact O-N 3.37Å; I48-L52 HydrophobicContact CG2-CD1 3.56Å; I48-L52 HydrophobicContact CG2-CG 4.34Å; I48-L52 WeakPolarHBondContact O-CB 3.39Å; I48-L52 WeakPolarHBondContact O-CG 3.3Å; I48-L52 PolarHBondContact O-N 3.47Å; I48-Y62 HydrophobicContact CB-CD2 4.32Å; I48-Y62 HydrophobicContact CD1-CD2 3.82Å; I48-Y62 HydrophobicContact CD1-CE1 4.12Å; I48-Y62 HydrophobicContact CD1-CE2 3.38Å; I48-Y62 HydrophobicContact CD1-CG 4.38Å; I48-Y62 HydrophobicContact CG2-CD2 3.84Å; I48-Y62 HydrophobicContact CG2-CE2 4.37Å; I48-Y62 HydrophobicContact CG2-CG 4.42Å
49	E	88.4	Confident	85.7	Confident	38 Å²	38	74.8 Å²	74.8	18%	0.178	37%	0.374	C	S	.	.	H	α-helix	trans	-60.3	-46.2	177.9	-70.8	176.8	165.2	0	0	111.3	K45 K51 L52 N53 Y62	K45-E49 WeakPolarHBondContact CE-OE1 3.3Å; K45-E49 HydrophobicContact CG-CG 4.36Å; K45-E49 IonicContact NZ-OE1 3.85Å; K45-E49 WeakPolarHBondContact O-CB 3.15Å; K45-E49 WeakPolarHBondContact O-CG 3.37Å; K45-E49 PolarHBondContact O-N 3.42Å; E49-K51 VanDerWaalsContact C-N 3.34Å; E49-K51 PolarHBondContact O-N 3.34Å; E49-L52 PolarHBondContact O-N 3.24Å; E49-N53 WeakPolarHBondContact O-CB 3.44Å; E49-N53 PolarHBondContact O-N 3.01Å; E49-N53 PolarHBondContact O-ND2 2.88Å; E49-N53 VanDerWaalsContact O-ND2 3.14Å; E49-Y62 PolarHBondContact OE1-N 2.94Å
50	S	90	Very high	85.8	Confident	60 Å²	60	71.7 Å²	71.7	42%	0.42	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178.7	-174	0	0	0	0	112.3	K46 F47 I48 K54	K46-S50 WeakPolarHBondContact O-CB 3.24Å; K46-S50 PolarHBondContact O-N 3.21Å; F47-S50 PolarHBondContact O-N 3.46Å; I48-S50 PolarHBondContact O-N 3.39Å; S50-K54 WeakPolarHBondContact O-CG 3.47Å; S50-K54 PolarHBondContact O-N 2.91Å
51	K	90.7	Very high	85.3	Confident	95 Å²	95	71.9 Å²	71.9	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-71.4	-42.3	-178.1	-168.3	146.7	-179.3	-180	0	111.9	T29 F47 I48 E49 K54 L55	T29-K51 HydrophobicContact CG2-CB 3.91Å; T29-K51 HydrophobicContact CG2-CD 4.12Å; T29-K51 HydrophobicContact CG2-CG 4.07Å; F47-K51 HydrophobicContact CE1-CD 4.21Å; F47-K51 HydrophobicContact CZ-CD 4.01Å; F47-K51 VanDerWaalsContact O-CB 3.3Å; F47-K51 WeakPolarHBondContact O-CB 3.35Å; F47-K51 PolarHBondContact O-N 3.32Å; I48-K51 PolarHBondContact O-N 3.37Å; E49-K51 VanDerWaalsContact C-N 3.34Å; E49-K51 PolarHBondContact O-N 3.34Å; K51-K54 PolarHBondContact O-N 2.96Å; K51-L55 HydrophobicContact CG-CD1 4.5Å; K51-L55 WeakPolarHBondContact O-CG 3.43Å; K51-L55 PolarHBondContact O-N 2.9Å
52	L	88	Confident	84.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-73.7	-37.8	179.4	-63.9	173.4	0	0	0	112.4	V26 I48 E49 K54 L55 Y56 W60 I73	V26-L52 HydrophobicContact CG2-CD1 4.08Å; V26-L52 HydrophobicContact CG2-CD2 3.74Å; I48-L52 HydrophobicContact CG2-CD1 3.56Å; I48-L52 HydrophobicContact CG2-CG 4.34Å; I48-L52 WeakPolarHBondContact O-CB 3.39Å; I48-L52 WeakPolarHBondContact O-CG 3.3Å; I48-L52 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 3.24Å; L52-K54 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 2.94Å; L52-L55 VanDerWaalsContact O-N 3.09Å; L52-Y56 HydrophobicContact CD2-CD2 4.16Å; L52-Y56 HydrophobicContact CD2-CE2 3.98Å; L52-Y56 PolarHBondContact O-N 3.46Å; L52-W60 HydrophobicContact CB-CB 4.16Å; L52-W60 HydrophobicContact CB-CD2 3.5Å; L52-W60 VanDerWaalsContact CB-CD2 3.5Å; L52-W60 HydrophobicContact CB-CE3 3.83Å; L52-W60 HydrophobicContact CB-CG 3.64Å; L52-W60 HydrophobicContact CB-CZ3 4.43Å; L52-W60 HydrophobicContact CD1-CD2 4.05Å; L52-W60 HydrophobicContact CD1-CE3 3.44Å; L52-W60 VanDerWaalsContact CD1-CE3 3.44Å; L52-W60 HydrophobicContact CD1-CZ3 3.75Å; L52-W60 HydrophobicContact CD2-CZ3 4.44Å; L52-W60 HydrophobicContact CG-CD2 4.31Å; L52-W60 HydrophobicContact CG-CE3 4.14Å; L52-W60 HydrophobicContact CG-CZ3 4.43Å; L52-I73 HydrophobicContact CD1-CG2 4.32Å
53	N	87.3	Confident	84.1	Confident	41 Å²	41	69.4 Å²	69.4	22%	0.219	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-33	172.2	-74.8	-21.6	0	0	0	112.4	E49 L57 P58 W60	E49-N53 WeakPolarHBondContact O-CB 3.44Å; E49-N53 PolarHBondContact O-N 3.01Å; E49-N53 PolarHBondContact O-ND2 2.88Å; E49-N53 VanDerWaalsContact O-ND2 3.14Å; N53-L57 CarbonylContact O-C 3.49Å; N53-L57 WeakPolarHBondContact O-CA 3.29Å; N53-L57 PolarHBondContact O-N 3.14Å; N53-L57 VanDerWaalsContact O-N 3.17Å; N53-P58 HydrophobicContact CB-CG 4.28Å; N53-P58 WeakPolarHBondContact OD1-CA 3.48Å; N53-W60 WeakPolarHBondContact OD1-CB 2.95Å; N53-W60 PolarHBondContact OD1-N 2.91Å
54	K	88.7	Confident	83.2	Confident	173 Å²	173	67.6 Å²	67.6	75%	0.752	34%	0.336	S	S	*	.	H	α-helix	trans	-73.4	-34.6	175.6	-75.6	175.6	-177.3	-179.7	0	113.1	S50 K51 L52	S50-K54 WeakPolarHBondContact O-CG 3.47Å; S50-K54 PolarHBondContact O-N 2.91Å; K51-K54 PolarHBondContact O-N 2.96Å; L52-K54 PolarHBondContact O-N 3.44Å
55	L	87.8	Confident	81.9	Confident	93 Å²	93	69.6 Å²	69.6	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-82	-37.3	-177.2	-72.1	170.7	0	0	0	112.6	K51 L52	K51-L55 HydrophobicContact CG-CD1 4.5Å; K51-L55 WeakPolarHBondContact O-CG 3.43Å; K51-L55 PolarHBondContact O-N 2.9Å; L52-L55 PolarHBondContact O-N 2.94Å; L52-L55 VanDerWaalsContact O-N 3.09Å
56	Y	85.9	Confident	80.4	Confident	61 Å²	61	73.2 Å²	73.2	24%	0.239	37%	0.368	C	S	.	.	H	α-helix	trans	-131.9	16.3	-166.4	-54.6	-64.8	0	0	0	114.4	M22 D25 L52 W60	M22-Y56 WeakPolarHBondContact CA-OH 3.42Å; M22-Y56 HydrophobicContact CB-CE1 4.39Å; M22-Y56 HydrophobicContact CE-CD1 3.38Å; M22-Y56 HydrophobicContact CE-CD2 4.26Å; M22-Y56 HydrophobicContact CE-CE1 3.63Å; M22-Y56 HydrophobicContact CE-CE2 4.45Å; M22-Y56 HydrophobicContact CE-CG 3.71Å; M22-Y56 HydrophobicContact CG-CD2 4.43Å; M22-Y56 HydrophobicContact CG-CE1 4.15Å; M22-Y56 HydrophobicContact CG-CE2 3.91Å; D25-Y56 HydrophobicContact CB-CE2 4.36Å; D25-Y56 WeakPolarHBondContact CB-OH 3.13Å; D25-Y56 VanDerWaalsContact CG-OH 3.24Å; D25-Y56 PolarHBondContact OD2-OH 2.95Å; L52-Y56 HydrophobicContact CD2-CD2 4.16Å; L52-Y56 HydrophobicContact CD2-CE2 3.98Å; L52-Y56 PolarHBondContact O-N 3.46Å; Y56-W60 AromaticContact CD2-CE2 3.91Å; Y56-W60 AromaticContact CD2-CH2 3.88Å; Y56-W60 HydrophobicContact CD2-CH2 3.88Å; Y56-W60 AromaticContact CD2-CZ2 3.26Å; Y56-W60 HydrophobicContact CD2-CZ2 3.26Å; Y56-W60 HydrophobicContact CE2-CH2 4.32Å; Y56-W60 HydrophobicContact CE2-CZ2 4.12Å; Y56-W60 AromaticContact CG-CZ2 3.66Å; Y56-W60 HydrophobicContact CG-CZ2 3.66Å
57	L	80.2	Confident	78.7	Confident	133 Å²	133	72 Å²	72	70%	0.696	37%	0.369	S	S	*	.			trans	67.3	153.3	-175.4	-53.6	167.9	0	0	0	113.8	N53 W60	N53-L57 CarbonylContact O-C 3.49Å; N53-L57 WeakPolarHBondContact O-CA 3.29Å; N53-L57 PolarHBondContact O-N 3.14Å; N53-L57 VanDerWaalsContact O-N 3.17Å; L57-W60 PolarHBondContact O-NE1 3.28Å
58	P	80.2	Confident	76.5	Confident	89 Å²	89	75.9 Å²	75.9	58%	0.578	40%	0.396	S	S	*	.	S	Bend	trans	-66.8	155.4	173.7	-17	30.2	0	0	0	113.5	N53	N53-P58 HydrophobicContact CB-CG 4.28Å; N53-P58 WeakPolarHBondContact OD1-CA 3.48Å
59	T	76.1	Confident	74.2	Confident	83 Å²	83	81 Å²	81	51%	0.509	42%	0.423	S	S	.	.			cis	-114.7	120.1	5	-22.4	0	0	0	0	111.5
60	W	79.3	Confident	72.1	Confident	9 Å²	9	86.5 Å²	86.5	3%	0.034	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.6	169.9	-74	70.3	0	0	0	110.6	M18 M22 V26 L52 N53 Y56 L57 I73 N75	M18-W60 HydrophobicContact SD-CH2 3.73Å; M18-W60 HydrophobicContact SD-CZ3 3.94Å; M22-W60 HydrophobicContact CE-CZ2 4.32Å; M22-W60 HydrophobicContact CG-CH2 4.03Å; M22-W60 HydrophobicContact SD-CH2 3.8Å; M22-W60 HydrophobicContact SD-CZ2 4.06Å; V26-W60 HydrophobicContact CG2-CH2 3.82Å; V26-W60 HydrophobicContact CG2-CZ3 3.65Å; L52-W60 HydrophobicContact CB-CB 4.16Å; L52-W60 HydrophobicContact CB-CD2 3.5Å; L52-W60 VanDerWaalsContact CB-CD2 3.5Å; L52-W60 HydrophobicContact CB-CE3 3.83Å; L52-W60 HydrophobicContact CB-CG 3.64Å; L52-W60 HydrophobicContact CB-CZ3 4.43Å; L52-W60 HydrophobicContact CD1-CD2 4.05Å; L52-W60 HydrophobicContact CD1-CE3 3.44Å; L52-W60 VanDerWaalsContact CD1-CE3 3.44Å; L52-W60 HydrophobicContact CD1-CZ3 3.75Å; L52-W60 HydrophobicContact CD2-CZ3 4.44Å; L52-W60 HydrophobicContact CG-CD2 4.31Å; L52-W60 HydrophobicContact CG-CE3 4.14Å; L52-W60 HydrophobicContact CG-CZ3 4.43Å; N53-W60 WeakPolarHBondContact OD1-CB 2.95Å; N53-W60 PolarHBondContact OD1-N 2.91Å; Y56-W60 AromaticContact CD2-CE2 3.91Å; Y56-W60 AromaticContact CD2-CH2 3.88Å; Y56-W60 HydrophobicContact CD2-CH2 3.88Å; Y56-W60 AromaticContact CD2-CZ2 3.26Å; Y56-W60 HydrophobicContact CD2-CZ2 3.26Å; Y56-W60 HydrophobicContact CE2-CH2 4.32Å; Y56-W60 HydrophobicContact CE2-CZ2 4.12Å; Y56-W60 AromaticContact CG-CZ2 3.66Å; Y56-W60 HydrophobicContact CG-CZ2 3.66Å; L57-W60 PolarHBondContact O-NE1 3.28Å; W60-I73 HydrophobicContact CE3-CG2 4.13Å; W60-I73 HydrophobicContact CZ3-CG2 4.17Å; W60-N75 WeakPolarHBondContact CH2-ND2 2.98Å; W60-N75 WeakPolarHBondContact CH2-OD1 3.29Å; W60-N75 WeakPolarHBondContact CZ2-ND2 3.41Å; W60-N75 WeakPolarHBondContact CZ2-OD1 3.29Å; W60-N75 WeakPolarHBondContact CZ3-OD1 3.43Å
61	H	73.2	Confident	70.3	Confident	87 Å²	87	86.8 Å²	86.8	40%	0.403	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.3	175.9	-65.3	-93.1	0	0	0	110.2	A74 A76	H61-A74 PolarHBondContact N-O 3.38Å; H61-A74 PolarHBondContact O-N 3.42Å; H61-A76 WeakPolarHBondContact CD2-CB 3.5Å
62	Y	73.1	Confident	68.4	Low	10 Å²	10	86.7 Å²	86.7	4%	0.039	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.5	-179.4	179.1	-98.1	0	0	0	111.8	V30 K45 I48 E49 I64 L71 I73	V30-Y62 HydrophobicContact CG2-CE2 4.49Å; K45-Y62 HydrophobicContact CB-CD1 3.85Å; K45-Y62 HydrophobicContact CB-CE1 4.47Å; K45-Y62 HydrophobicContact CG-CD1 4.03Å; I48-Y62 HydrophobicContact CB-CD2 4.32Å; I48-Y62 HydrophobicContact CD1-CD2 3.82Å; I48-Y62 HydrophobicContact CD1-CE1 4.12Å; I48-Y62 HydrophobicContact CD1-CE2 3.38Å; I48-Y62 HydrophobicContact CD1-CG 4.38Å; I48-Y62 HydrophobicContact CG2-CD2 3.84Å; I48-Y62 HydrophobicContact CG2-CE2 4.37Å; I48-Y62 HydrophobicContact CG2-CG 4.42Å; E49-Y62 PolarHBondContact OE1-N 2.94Å; Y62-I64 HydrophobicContact CE1-CB 3.7Å; Y62-I64 HydrophobicContact CE1-CD1 4.41Å; Y62-I64 HydrophobicContact CE1-CG1 4.35Å; Y62-I64 HydrophobicContact CE1-CG2 4.35Å; Y62-I64 WeakPolarHBondContact OH-CD1 3.27Å; Y62-I64 WeakPolarHBondContact OH-CG1 3.02Å; Y62-L71 HydrophobicContact CE2-CD1 3.83Å; Y62-L71 WeakPolarHBondContact OH-CD1 2.85Å; Y62-I73 HydrophobicContact CD2-CD1 3.89Å; Y62-I73 HydrophobicContact CD2-CG1 3.75Å; Y62-I73 HydrophobicContact CE2-CD1 3.79Å; Y62-I73 HydrophobicContact CE2-CG1 3.87Å
63	I	67.7	Low	66.9	Low	108 Å²	108	88 Å²	88	55%	0.554	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	125	175.5	-55.7	175.3	0	0	0	108.4	L72	I63-L72 PolarHBondContact N-O 2.85Å
64	I	70.3	Confident	65.1	Low	59 Å²	59	88.4 Å²	88.4	30%	0.303	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.8	174.7	-151.6	179	0	0	0	110.2	Y41 M44 Y62 L71	Y41-I64 HydrophobicContact CD1-CD1 3.61Å; Y41-I64 HydrophobicContact CD1-CG2 3.76Å; Y41-I64 HydrophobicContact CE1-CD1 3.72Å; Y41-I64 HydrophobicContact CE1-CG2 4.4Å; Y41-I64 HydrophobicContact CG-CG2 4.14Å; M44-I64 HydrophobicContact CE-CD1 4.08Å; Y62-I64 HydrophobicContact CE1-CB 3.7Å; Y62-I64 HydrophobicContact CE1-CD1 4.41Å; Y62-I64 HydrophobicContact CE1-CG1 4.35Å; Y62-I64 HydrophobicContact CE1-CG2 4.35Å; Y62-I64 WeakPolarHBondContact OH-CD1 3.27Å; Y62-I64 WeakPolarHBondContact OH-CG1 3.02Å; I64-L71 HydrophobicContact CG1-CD1 4.32Å
65	G	58.8	Low	63	Low	42 Å²	42	82 Å²	82	43%	0.433	43%	0.432	S	S	.	.			trans	-117.5	147.3	171.9	0	0	0	0	0	110.7	D67	G65-D67 VanDerWaalsContact C-N 3.27Å; G65-D67 PolarHBondContact O-N 3.03Å
66	Y	54.4	Low	60.8	Low	166 Å²	166	80.2 Å²	80.2	65%	0.651	43%	0.431	S	S	*	.	S	Bend	trans	-78.2	-10	-177.4	-123.1	-84.5	0	0	0	114.3	Y41 V68	Y41-Y66 HydrophobicContact CE2-CD2 4.41Å; Y41-Y66 AromaticContact CE2-CE2 3.56Å; Y41-Y66 HydrophobicContact CE2-CE2 3.56Å; Y41-Y66 AromaticContact CZ-CE2 3.49Å; Y41-Y66 VanDerWaalsContact CZ-CE2 3.49Å; Y41-Y66 AromaticContact CZ-CZ 4Å; Y41-Y66 WeakPolarHBondContact OH-CE2 3.2Å; Y41-Y66 PolarHBondContact OH-OH 2.91Å; Y66-V68 PolarHBondContact O-N 2.95Å
67	D	53.1	Low	58.5	Low	119 Å²	119	81.6 Å²	81.6	64%	0.636	45%	0.448	S	S	*	.	S	Bend	trans	-70.8	105.4	166.7	-136.3	-67.5	0	0	0	106	G65 D69 R70	G65-D67 VanDerWaalsContact C-N 3.27Å; G65-D67 PolarHBondContact O-N 3.03Å; D67-D69 PolarHBondContact O-N 3.14Å; D67-R70 PolarHBondContact O-N 2.98Å
68	V	44.8	Very low	56.4	Low	125 Å²	125	80 Å²	80	76%	0.758	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-6.2	-168.6	-143.4	0	0	0	0	112.9	Y66	Y66-V68 PolarHBondContact O-N 2.95Å
69	D	41.3	Very low	54.1	Low	108 Å²	108	79.8 Å²	79.8	58%	0.578	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	2.7	179.2	-60.4	-37.1	0	0	0	115.1	K14 D67	K14-D69 WeakPolarHBondContact CE-O 3.29Å; K14-D69 PolarHBondContact NZ-O 2.88Å; D67-D69 PolarHBondContact O-N 3.14Å
70	R	43.5	Very low	52	Low	155 Å²	155	81 Å²	81	59%	0.585	45%	0.451	S	S	*	.			trans	-134.6	85.9	-179.1	-106.3	-176.2	-166.3	-161.7	7.2	113.4	K14 D67	K14-R70 HydrophobicContact CD-CG 4.25Å; D67-R70 PolarHBondContact O-N 2.98Å
71	L	52.7	Low	49.7	Very low	66 Å²	66	89.3 Å²	89.3	35%	0.346	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.2	158.1	-173	78.1	0	0	0	109	V30 Y62 I64 I73	V30-L71 HydrophobicContact CB-CD2 4.23Å; V30-L71 HydrophobicContact CG1-CD1 4.03Å; V30-L71 HydrophobicContact CG1-CD2 3.73Å; V30-L71 HydrophobicContact CG2-CD2 3.97Å; Y62-L71 HydrophobicContact CE2-CD1 3.83Å; Y62-L71 WeakPolarHBondContact OH-CD1 2.85Å; I64-L71 HydrophobicContact CG1-CD1 4.32Å; L71-I73 HydrophobicContact CD1-CD1 4.5Å; L71-I73 HydrophobicContact CD2-CD1 3.85Å; L71-I73 HydrophobicContact CD2-CG1 4.25Å; L71-I73 HydrophobicContact CG-CD1 4.16Å; L71-I73 HydrophobicContact CG-CG1 4.08Å
72	L	50.8	Low	47.5	Very low	93 Å²	93	94 Å²	94	49%	0.487	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	104.7	175.6	-71.1	168.4	0	0	0	109.1	I63	I63-L72 PolarHBondContact N-O 2.85Å
73	I	56.6	Low	45.2	Very low	28 Å²	28	99.9 Å²	99.9	14%	0.144	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.1	173.3	-57.1	-177.1	0	0	0	106.5	V26 V30 L52 W60 Y62 L71	V26-I73 HydrophobicContact CG1-CB 4.16Å; V26-I73 HydrophobicContact CG1-CD1 3.43Å; V26-I73 VanDerWaalsContact CG1-CD1 3.43Å; V26-I73 HydrophobicContact CG1-CG1 4.34Å; V26-I73 HydrophobicContact CG1-CG2 4.04Å; V30-I73 HydrophobicContact CG2-CD1 3.2Å; L52-I73 HydrophobicContact CD1-CG2 4.32Å; W60-I73 HydrophobicContact CE3-CG2 4.13Å; W60-I73 HydrophobicContact CZ3-CG2 4.17Å; Y62-I73 HydrophobicContact CD2-CD1 3.89Å; Y62-I73 HydrophobicContact CD2-CG1 3.75Å; Y62-I73 HydrophobicContact CE2-CD1 3.79Å; Y62-I73 HydrophobicContact CE2-CG1 3.87Å; L71-I73 HydrophobicContact CD1-CD1 4.5Å; L71-I73 HydrophobicContact CD2-CD1 3.85Å; L71-I73 HydrophobicContact CD2-CG1 4.25Å; L71-I73 HydrophobicContact CG-CD1 4.16Å; L71-I73 HydrophobicContact CG-CG1 4.08Å
74	A	48.1	Very low	43.1	Very low	50 Å²	50	103 Å²	103	41%	0.413	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	124	-176.5	0	0	0	0	0	109.1	H61 A76	H61-A74 PolarHBondContact N-O 3.38Å; H61-A74 PolarHBondContact O-N 3.42Å; A74-A76 PolarHBondContact O-N 3.45Å
75	N	45.6	Very low	41.2	Very low	38 Å²	38	112.3 Å²	112.3	20%	0.203	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.4	117.9	160	-86.4	-34.9	0	0	0	108.5	M18 W60 C77	M18-N75 PolarHBondContact SD-ND2 3Å; M18-N75 VanDerWaalsContact SD-ND2 3.42Å; W60-N75 WeakPolarHBondContact CH2-ND2 2.98Å; W60-N75 WeakPolarHBondContact CH2-OD1 3.29Å; W60-N75 WeakPolarHBondContact CZ2-ND2 3.41Å; W60-N75 WeakPolarHBondContact CZ2-OD1 3.29Å; W60-N75 WeakPolarHBondContact CZ3-OD1 3.43Å; N75-C77 HydrophobicContact CB-CB 4.37Å; N75-C77 PolarHBondContact O-N 3.29Å
76	A	41.2	Very low	40.3	Very low	56 Å²	56	115.9 Å²	115.9	46%	0.463	61%	0.606	S	S	.	*			trans	-74	2.5	162.7	0	0	0	0	0	111.8	H61 A74 S78	H61-A76 WeakPolarHBondContact CD2-CB 3.5Å; A74-A76 PolarHBondContact O-N 3.45Å; A76-S78 PolarHBondContact O-N 3.33Å
77	C	37.2	Very low	39.5	Very low	89 Å²	89	113.2 Å²	113.2	60%	0.601	60%	0.604	S	S	*	*			trans	-71.7	51.2	163.2	-134.1	0	0	0	0	111	N75 I79	N75-C77 HydrophobicContact CB-CB 4.37Å; N75-C77 PolarHBondContact O-N 3.29Å; C77-I79 PolarHBondContact O-N 2.69Å; C77-I79 VanDerWaalsContact O-N 3.14Å
78	S	35.9	Very low	38.8	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	60%	0.602	S	S	*	*			trans	-71.8	82.3	142.3	-62.3	0	0	0	0	105.9	A76	A76-S78 PolarHBondContact O-N 3.33Å
79	I	31.9	Very low	38.4	Very low	83 Å²	83	112.2 Å²	112.2	43%	0.426	59%	0.593	S	S	.	*			trans	53.9	109.5	148.8	-46	168.4	0	0	0	116.6	C77 F82 I83	C77-I79 PolarHBondContact O-N 2.69Å; C77-I79 VanDerWaalsContact O-N 3.14Å; I79-F82 VanDerWaalsContact CG2-C 3.44Å; I79-F82 HydrophobicContact CG2-CB 3.81Å; I79-I83 HydrophobicContact CD1-CG1 4.46Å; I79-I83 HydrophobicContact CG2-CB 4.36Å; I79-I83 HydrophobicContact CG2-CD1 4.42Å; I79-I83 HydrophobicContact CG2-CG1 3.94Å
80	P	31.8	Very low	38.2	Very low	109 Å²	109	112.4 Å²	112.4	71%	0.708	59%	0.594	S	S	*	*	S	Bend	trans	-125.2	37.1	132.3	36.5	-28.5	0	0	0	112.8
81	H	31.1	Very low	37.9	Very low	184 Å²	184	109.6 Å²	109.6	85%	0.852	59%	0.594	S	S	*	*	S	Bend	trans	-141.6	18.8	168.2	-98.1	79.2	0	0	0	115
82	F	27.7	Very low	36.8	Very low	185 Å²	185	112.7 Å²	112.7	81%	0.811	61%	0.612	S	S	*	*	S	Bend	trans	-144.4	26.3	174.9	-130.2	-91.1	0	0	0	112.1	I79	I79-F82 VanDerWaalsContact CG2-C 3.44Å; I79-F82 HydrophobicContact CG2-CB 3.81Å
83	I	25	Very low	35.8	Very low	134 Å²	134	114.2 Å²	114.2	69%	0.687	62%	0.621	S	S	*	*	S	Bend	trans	-130.3	76.8	158.7	-61.6	173	0	0	0	104.6	I79	I79-I83 HydrophobicContact CD1-CG1 4.46Å; I79-I83 HydrophobicContact CG2-CB 4.36Å; I79-I83 HydrophobicContact CG2-CD1 4.42Å; I79-I83 HydrophobicContact CG2-CG1 3.94Å
84	Q	22.7	Very low	34	Very low	172 Å²	172	121.4 Å²	121.4	80%	0.804	66%	0.661	S	S	*	*			trans	166.5	113	140.9	-90.8	-171.6	-76.8	0	0	108.2
85	M	30.2	Very low	32.7	Very low	256 Å²	256	127.9 Å²	127.9	100%	1.261	68%	0.684	S	S	*	*			trans	77.9	0	168.5	-57.9	-175.7	-174.3	0	0	117.4

Retrieved 85 of 85 residues in 18.1 ms (Link to these results)

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