A0A5K4F6M2_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F6M2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 aa.

						>A0A5K4F6M2_SCHMA|A0A5K4F6M2
MAIDKSRAVIDKSDMIPEMEEDAVYVAAMAMEKHNIDMHIASYIKHEFDRKYKATWNCIVGKNFGSFIHHDRGGFISFRLNSMNILLFKLG
					

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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	49.5	Very low	79.7	Confident	226 Å²	226	92.9 Å²	92.9	100%	1.113	51%	0.511	S	S	*	.				0	137.5	0	-84.7	165.1	162	0	0	107.3	I3	M1-I3 PolarHBondContact O-N 2.94Å
2	A	69.2	Low	81.2	Confident	100 Å²	100	97.7 Å²	97.7	83%	0.826	52%	0.522	S	S	*	.			trans	-74.2	122.4	173	0	0	0	0	0	107.7	D4	A2-D4 PolarHBondContact O-N 2.57Å
3	I	69.4	Low	82.5	Confident	37 Å²	37	93.1 Å²	93.1	19%	0.19	50%	0.503	C	S	.	.			trans	-67.8	119.5	-179.7	-72.2	153.9	0	0	0	108.3	M1 K5 Y25 A28 M29	M1-I3 PolarHBondContact O-N 2.94Å; I3-K5 HydrophobicContact CG2-CG 4.38Å; I3-K5 PolarHBondContact O-N 3.3Å; I3-Y25 HydrophobicContact CB-CD2 4.49Å; I3-Y25 HydrophobicContact CB-CE2 4.23Å; I3-Y25 HydrophobicContact CD1-CD2 4.06Å; I3-Y25 HydrophobicContact CD1-CE2 3.24Å; I3-Y25 HydrophobicContact CG1-CE2 4.32Å; I3-Y25 HydrophobicContact CG2-CD2 4.28Å; I3-Y25 HydrophobicContact CG2-CE2 4.46Å; I3-A28 HydrophobicContact CG2-CB 3.21Å; I3-M29 HydrophobicContact CD1-CG 3.36Å; I3-M29 HydrophobicContact CD1-SD 4.1Å; I3-M29 HydrophobicContact CG1-CG 4.28Å
4	D	75.4	Confident	83.5	Confident	73 Å²	73	90.6 Å²	90.6	39%	0.39	49%	0.489	S	S	.	.			trans	-75.7	97.2	-177.3	-176.9	14.1	0	0	0	111.1	A2 S6	A2-D4 PolarHBondContact O-N 2.57Å; D4-S6 VanDerWaalsContact OD1-CB 3.22Å; D4-S6 WeakPolarHBondContact OD1-CB 3.22Å; D4-S6 PolarHBondContact OD1-N 3.05Å; D4-S6 PolarHBondContact OD1-OG 3Å
5	K	74	Confident	84.5	Confident	77 Å²	77	85.5 Å²	85.5	34%	0.335	46%	0.461	S	S	.	.			trans	-93	-4.8	171.4	-56.9	-177.6	-172.7	-174.6	0	113.3	I3 R7 A8 E21 V24 Y25 A28	I3-K5 HydrophobicContact CG2-CG 4.38Å; I3-K5 PolarHBondContact O-N 3.3Å; K5-R7 PolarHBondContact O-N 2.85Å; K5-A8 WeakPolarHBondContact O-CB 3.26Å; K5-A8 PolarHBondContact O-N 2.81Å; K5-E21 PolarHBondContact NZ-O 2.9Å; K5-V24 HydrophobicContact CB-CG1 3.9Å; K5-V24 HydrophobicContact CD-CG1 4.08Å; K5-V24 HydrophobicContact CG-CG1 4.03Å; K5-Y25 VanDerWaalsContact CE-CB 3.43Å; K5-Y25 VanDerWaalsContact NZ-CB 3.33Å; K5-A28 HydrophobicContact CG-CB 4.41Å
6	S	75.2	Confident	85.3	Confident	100 Å²	100	86.8 Å²	86.8	70%	0.699	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.3	-165.5	67.9	0	0	0	0	114.1	D4	D4-S6 VanDerWaalsContact OD1-CB 3.22Å; D4-S6 WeakPolarHBondContact OD1-CB 3.22Å; D4-S6 PolarHBondContact OD1-N 3.05Å; D4-S6 PolarHBondContact OD1-OG 3Å
7	R	81.8	Confident	86	Confident	158 Å²	158	86.3 Å²	86.3	60%	0.596	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	10.2	-178.7	-61.9	176.6	174.1	-170.4	-0.4	113.5	K5 N81	K5-R7 PolarHBondContact O-N 2.85Å; R7-N81 WeakPolarHBondContact CD-OD1 3.17Å
8	A	94.1	Very high	86.6	Confident	30 Å²	30	88.7 Å²	88.7	25%	0.248	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	126.8	175	0	0	0	0	0	110.4	K5 V24 R79 L80	K5-A8 WeakPolarHBondContact O-CB 3.26Å; K5-A8 PolarHBondContact O-N 2.81Å; A8-V24 HydrophobicContact CB-CB 4.36Å; A8-V24 HydrophobicContact CB-CG1 3.38Å; A8-V24 HydrophobicContact CB-CG2 3.98Å; A8-R79 CarbonylContact C-O 3.52Å; A8-R79 VanDerWaalsContact CA-O 3.26Å; A8-R79 WeakPolarHBondContact CA-O 3.35Å; A8-L80 HydrophobicContact CB-CD1 4.15Å
9	V	96.1	Very high	87.3	Confident	74 Å²	74	84.9 Å²	84.9	45%	0.448	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.2	173.1	-179.8	0	0	0	0	107.5	D11 F78 R79	V9-D11 PolarHBondContact O-N 3.44Å; V9-F78 CarbonylContact O-C 3.51Å; V9-F78 VanDerWaalsContact O-CA 3.23Å; V9-F78 WeakPolarHBondContact O-CA 3.37Å; V9-F78 WeakPolarHBondContact O-CB 3.33Å; V9-R79 PolarHBondContact N-O 3.47Å; V9-R79 PolarHBondContact O-N 3Å
10	I	96.8	Very high	87.8	Confident	69 Å²	69	83.1 Å²	83.1	35%	0.354	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121	176.7	-59.8	173.6	0	0	0	108.2	E20 I76 F78	I10-E20 HydrophobicContact CD1-CB 4.08Å; I10-I76 HydrophobicContact CD1-CD1 4.28Å; I10-I76 HydrophobicContact CG1-CD1 4.38Å; I10-I76 HydrophobicContact CG2-CD1 4.48Å; I10-I76 HydrophobicContact CG2-CG1 4.32Å; I10-F78 HydrophobicContact CB-CB 4.4Å; I10-F78 HydrophobicContact CG1-CB 4.13Å
11	D	95.6	Very high	88.2	Confident	78 Å²	78	85.5 Å²	85.5	42%	0.417	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-45.5	178	-67.3	-42.5	0	0	0	110.2	V9 S77 R79	V9-D11 PolarHBondContact O-N 3.44Å; D11-S77 PolarHBondContact N-O 3.09Å; D11-R79 IonicContact OD1-NH2 2.76Å; D11-R79 PolarHBondContact OD1-NH2 3.27Å; D11-R79 IonicContact OD2-NH2 3.37Å
12	K	96.9	Very high	90.5	Very high	150 Å²	150	76 Å²	76	65%	0.652	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	141.3	178.5	-66.1	-177.8	-176.8	175.6	0	110.5	F75 I76 S77	K12-F75 HydrophobicContact CB-CE1 3.81Å; K12-I76 CarbonylContact O-C 3.57Å; K12-I76 WeakPolarHBondContact O-CA 3.23Å; K12-S77 PolarHBondContact N-O 2.8Å; K12-S77 VanDerWaalsContact N-O 3.11Å; K12-S77 PolarHBondContact O-N 2.92Å
13	S	98.1	Very high	91.9	Very high	38 Å²	38	71.2 Å²	71.2	27%	0.266	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.5	168.1	-162.7	0	0	0	0	111.3	M15 E20 F75	S13-M15 WeakPolarHBondContact OG-CB 3.39Å; S13-M15 PolarHBondContact OG-N 2.88Å; S13-M15 VanDerWaalsContact OG-N 3.17Å; S13-E20 WeakPolarHBondContact CB-OE1 3.46Å; S13-E20 PolarHBondContact OG-OE1 2.98Å; S13-F75 VanDerWaalsContact CA-O 3.26Å; S13-F75 WeakPolarHBondContact CA-O 3.39Å; S13-F75 PolarHBondContact OG-O 3.37Å
14	D	97.6	Very high	93.3	Very high	58 Å²	58	70 Å²	70	31%	0.31	36%	0.361	S	S	.	.			trans	-120.1	8.5	164.1	76.2	-13.7	0	0	0	112.6	H70 G73 G74 F75	D14-H70 IonicContact OD2-CD2 3.8Å; D14-H70 IonicContact OD2-NE2 3.67Å; D14-G73 VanDerWaalsContact CG-N 3.27Å; D14-G73 WeakPolarHBondContact O-CA 3.43Å; D14-G73 VanDerWaalsContact OD1-C 3.27Å; D14-G73 WeakPolarHBondContact OD1-CA 3.22Å; D14-G73 PolarHBondContact OD1-N 3.45Å; D14-G73 PolarHBondContact OD2-N 2.77Å; D14-G74 PolarHBondContact OD1-N 2.76Å; D14-F75 PolarHBondContact N-O 2.86Å; D14-F75 WeakPolarHBondContact OD1-CA 3.44Å; D14-F75 WeakPolarHBondContact OD1-CB 3.5Å; D14-F75 PolarHBondContact OD1-N 2.86Å
15	M	97.7	Very high	94.3	Very high	14 Å²	14	70.6 Å²	70.6	7%	0.069	36%	0.359	C	S	.	.	S	Bend	trans	-73.6	163.5	178.6	-67.2	-179.6	-178.7	0	0	111.6	S13 M19 E20 F48 W56 I76	S13-M15 WeakPolarHBondContact OG-CB 3.39Å; S13-M15 PolarHBondContact OG-N 2.88Å; S13-M15 VanDerWaalsContact OG-N 3.17Å; M15-M19 HydrophobicContact CB-CB 4.21Å; M15-M19 HydrophobicContact CB-CG 4.36Å; M15-M19 HydrophobicContact CB-SD 4.39Å; M15-M19 HydrophobicContact CG-CG 4.3Å; M15-M19 HydrophobicContact CG-SD 4.11Å; M15-M19 HydrophobicContact SD-CB 4.43Å; M15-M19 HydrophobicContact SD-CG 3.76Å; M15-M19 HydrophobicContact SD-SD 4.14Å; M15-E20 HydrophobicContact CB-CG 3.89Å; M15-F48 HydrophobicContact CE-CE1 4.41Å; M15-W56 HydrophobicContact CE-CH2 3.54Å; M15-W56 HydrophobicContact CE-CZ3 3.36Å; M15-I76 HydrophobicContact CE-CB 3.89Å; M15-I76 HydrophobicContact CE-CG2 3.52Å; M15-I76 HydrophobicContact SD-CB 3.8Å; M15-I76 HydrophobicContact SD-CG2 3.76Å
16	I	97.9	Very high	95.5	Very high	107 Å²	107	66.9 Å²	66.9	55%	0.549	34%	0.343	S	S	.	.			trans	-72.8	152	165.6	61.3	174.5	0	0	0	110.5	E18 M19 E20	I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 PolarHBondContact O-N 3.48Å; I16-M19 HydrophobicContact CG1-CB 3.77Å; I16-M19 WeakPolarHBondContact O-CB 3.3Å; I16-M19 PolarHBondContact O-N 3.46Å; I16-E20 PolarHBondContact O-N 3.5Å; I16-E20 VanDerWaalsContact O-N 3.11Å
17	P	97	Very high	96.5	Very high	78 Å²	78	62.1 Å²	62.1	51%	0.506	31%	0.309	S	S	.	.	H	α-helix	trans	-54	-40.1	-174.2	-28.6	36.3	0	0	0	114.7	M19 E20 E21	P17-M19 PolarHBondContact O-N 2.96Å; P17-E20 WeakPolarHBondContact O-CB 3.43Å; P17-E20 PolarHBondContact O-N 3.12Å; P17-E21 PolarHBondContact O-N 3.48Å
18	E	97.4	Very high	97.3	Very high	129 Å²	129	54.9 Å²	54.9	60%	0.603	28%	0.283	S	S	*	.	H	α-helix	trans	-63.5	-32.3	-179.6	-59.8	77.9	-171.1	0	0	111.9	I16 D22	I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 PolarHBondContact O-N 3.48Å; E18-D22 PolarHBondContact O-N 3.22Å
19	M	98.2	Very high	97.4	Very high	18 Å²	18	54.6 Å²	54.6	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-80.7	-33.3	179.4	-170.3	174	-165.7	0	0	111.8	M15 I16 P17 D22 A23 F48 Y52 W56	M15-M19 HydrophobicContact CB-CB 4.21Å; M15-M19 HydrophobicContact CB-CG 4.36Å; M15-M19 HydrophobicContact CB-SD 4.39Å; M15-M19 HydrophobicContact CG-CG 4.3Å; M15-M19 HydrophobicContact CG-SD 4.11Å; M15-M19 HydrophobicContact SD-CB 4.43Å; M15-M19 HydrophobicContact SD-CG 3.76Å; M15-M19 HydrophobicContact SD-SD 4.14Å; I16-M19 HydrophobicContact CG1-CB 3.77Å; I16-M19 WeakPolarHBondContact O-CB 3.3Å; I16-M19 PolarHBondContact O-N 3.46Å; P17-M19 PolarHBondContact O-N 2.96Å; M19-D22 PolarHBondContact O-N 3.45Å; M19-A23 WeakPolarHBondContact O-CB 3.43Å; M19-A23 PolarHBondContact O-N 3.49Å; M19-F48 HydrophobicContact CE-CD1 4Å; M19-F48 HydrophobicContact CE-CE1 3.73Å; M19-F48 HydrophobicContact CG-CE1 4.16Å; M19-Y52 HydrophobicContact CE-CD1 3.6Å; M19-Y52 HydrophobicContact CE-CD2 3.61Å; M19-Y52 HydrophobicContact CE-CE1 4.02Å; M19-Y52 HydrophobicContact CE-CE2 4.02Å; M19-Y52 HydrophobicContact CE-CG 3.37Å; M19-Y52 HydrophobicContact CG-CE1 4.11Å; M19-Y52 HydrophobicContact CG-CE2 4.27Å; M19-Y52 HydrophobicContact SD-CD1 4.29Å; M19-Y52 HydrophobicContact SD-CE1 4.3Å; M19-W56 HydrophobicContact CE-CH2 3.27Å; M19-W56 HydrophobicContact CE-CZ2 3.19Å; M19-W56 HydrophobicContact CE-CZ3 4.4Å
20	E	98	Very high	97.4	Very high	48 Å²	48	51 Å²	51	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-46.2	169.7	-62.3	-178	163.9	0	0	111.1	I10 S13 M15 I16 P17 D22 A23 V24 I76	I10-E20 HydrophobicContact CD1-CB 4.08Å; S13-E20 WeakPolarHBondContact CB-OE1 3.46Å; S13-E20 PolarHBondContact OG-OE1 2.98Å; M15-E20 HydrophobicContact CB-CG 3.89Å; I16-E20 PolarHBondContact O-N 3.5Å; I16-E20 VanDerWaalsContact O-N 3.11Å; P17-E20 WeakPolarHBondContact O-CB 3.43Å; P17-E20 PolarHBondContact O-N 3.12Å; E20-D22 VanDerWaalsContact C-N 3.33Å; E20-D22 PolarHBondContact O-N 3.19Å; E20-A23 WeakPolarHBondContact O-CB 3.12Å; E20-A23 PolarHBondContact O-N 3.33Å; E20-V24 WeakPolarHBondContact O-CG2 3.46Å; E20-V24 PolarHBondContact O-N 3.33Å; E20-I76 HydrophobicContact CB-CD1 4Å; E20-I76 HydrophobicContact CG-CD1 4.09Å
21	E	96.8	Very high	97.4	Very high	134 Å²	134	49.7 Å²	49.7	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-62.3	-37.9	177.7	-72.7	-175.2	-173	0	0	113	K5 P17 Y25	K5-E21 PolarHBondContact NZ-O 2.9Å; P17-E21 PolarHBondContact O-N 3.48Å; E21-Y25 WeakPolarHBondContact O-CB 3.42Å; E21-Y25 PolarHBondContact O-N 3.45Å
22	D	97.8	Very high	97.3	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.134	25%	0.253	C	S	.	.	H	α-helix	trans	-71	-36.5	175.3	-163.1	42	0	0	0	111.6	E18 M19 E20 V24 Y25 V26 K51 Y52	E18-D22 PolarHBondContact O-N 3.22Å; M19-D22 PolarHBondContact O-N 3.45Å; E20-D22 VanDerWaalsContact C-N 3.33Å; E20-D22 PolarHBondContact O-N 3.19Å; D22-V24 PolarHBondContact O-N 3.11Å; D22-Y25 WeakPolarHBondContact O-CB 3.14Å; D22-Y25 PolarHBondContact O-N 2.99Å; D22-V26 WeakPolarHBondContact O-CB 3.45Å; D22-V26 VanDerWaalsContact O-CG2 3.27Å; D22-V26 WeakPolarHBondContact O-CG2 3.44Å; D22-V26 PolarHBondContact O-N 3.26Å; D22-K51 IonicContact OD1-NZ 2.71Å; D22-K51 PolarHBondContact OD1-NZ 3.2Å; D22-K51 WeakPolarHBondContact OD2-CD 3.15Å; D22-K51 IonicContact OD2-NZ 3.91Å; D22-K51 PolarHBondContact OD2-NZ 3.21Å; D22-Y52 WeakPolarHBondContact CB-OH 3.34Å; D22-Y52 WeakPolarHBondContact OD2-CE2 3.46Å; D22-Y52 PolarHBondContact OD2-OH 2.72Å; D22-Y52 VanDerWaalsContact OD2-OH 3.14Å
23	A	98.4	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-47.5	174.9	0	0	0	0	0	111.3	M19 E20 Y25 A27 F48 I76 F78 L87	M19-A23 WeakPolarHBondContact O-CB 3.43Å; M19-A23 PolarHBondContact O-N 3.49Å; E20-A23 WeakPolarHBondContact O-CB 3.12Å; E20-A23 PolarHBondContact O-N 3.33Å; A23-Y25 VanDerWaalsContact C-N 3.34Å; A23-Y25 PolarHBondContact O-N 2.83Å; A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.41Å; A23-A27 PolarHBondContact O-N 3.34Å; A23-F48 VanDerWaalsContact CA-CZ 3.41Å; A23-F48 HydrophobicContact CB-CE1 4.36Å; A23-F48 HydrophobicContact CB-CE2 4.19Å; A23-F48 HydrophobicContact CB-CZ 3.56Å; A23-I76 HydrophobicContact CB-CD1 4.09Å; A23-I76 HydrophobicContact CB-CG2 3.96Å; A23-F78 HydrophobicContact CB-CE1 4.35Å; A23-L87 HydrophobicContact CB-CD2 4.06Å
24	V	97.9	Very high	97.2	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-41	175.7	173.9	0	0	0	0	111.2	K5 A8 E20 D22 A27 A28 F78	K5-V24 HydrophobicContact CB-CG1 3.9Å; K5-V24 HydrophobicContact CD-CG1 4.08Å; K5-V24 HydrophobicContact CG-CG1 4.03Å; A8-V24 HydrophobicContact CB-CB 4.36Å; A8-V24 HydrophobicContact CB-CG1 3.38Å; A8-V24 HydrophobicContact CB-CG2 3.98Å; E20-V24 WeakPolarHBondContact O-CG2 3.46Å; E20-V24 PolarHBondContact O-N 3.33Å; D22-V24 PolarHBondContact O-N 3.11Å; V24-A27 PolarHBondContact O-N 2.76Å; V24-A28 WeakPolarHBondContact O-CB 3.4Å; V24-A28 PolarHBondContact O-N 3.41Å; V24-F78 HydrophobicContact CG2-CD2 4.08Å; V24-F78 HydrophobicContact CG2-CE2 4.01Å; V24-F78 HydrophobicContact CG2-CZ 4.41Å
25	Y	97.2	Very high	97	Very high	86 Å²	86	55.6 Å²	55.6	34%	0.337	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-50.3	177.5	-174.7	-121.9	0	0	0	113.2	I3 K5 E21 D22 A23 A27 A28 M29	I3-Y25 HydrophobicContact CB-CD2 4.49Å; I3-Y25 HydrophobicContact CB-CE2 4.23Å; I3-Y25 HydrophobicContact CD1-CD2 4.06Å; I3-Y25 HydrophobicContact CD1-CE2 3.24Å; I3-Y25 HydrophobicContact CG1-CE2 4.32Å; I3-Y25 HydrophobicContact CG2-CD2 4.28Å; I3-Y25 HydrophobicContact CG2-CE2 4.46Å; K5-Y25 VanDerWaalsContact CE-CB 3.43Å; K5-Y25 VanDerWaalsContact NZ-CB 3.33Å; E21-Y25 WeakPolarHBondContact O-CB 3.42Å; E21-Y25 PolarHBondContact O-N 3.45Å; D22-Y25 WeakPolarHBondContact O-CB 3.14Å; D22-Y25 PolarHBondContact O-N 2.99Å; A23-Y25 VanDerWaalsContact C-N 3.34Å; A23-Y25 PolarHBondContact O-N 2.83Å; Y25-A27 VanDerWaalsContact C-N 3.28Å; Y25-A27 PolarHBondContact O-N 3.07Å; Y25-A28 PolarHBondContact O-N 3.17Å; Y25-M29 HydrophobicContact CD1-CE 3.48Å; Y25-M29 VanDerWaalsContact CD1-CE 3.48Å; Y25-M29 HydrophobicContact CD1-SD 4.19Å; Y25-M29 HydrophobicContact CE1-CE 3.33Å; Y25-M29 HydrophobicContact CE1-CG 4.36Å; Y25-M29 HydrophobicContact CE1-SD 3.53Å; Y25-M29 VanDerWaalsContact CE1-SD 3.53Å; Y25-M29 HydrophobicContact CE2-CG 4.42Å; Y25-M29 HydrophobicContact CE2-SD 4.45Å; Y25-M29 HydrophobicContact CG-CE 4.29Å; Y25-M29 WeakPolarHBondContact O-CG 3.41Å; Y25-M29 PolarHBondContact O-N 3.21Å
26	V	97.9	Very high	97	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-40.2	-179.7	169.6	0	0	0	0	110.2	D22 M29 A30 Y43 I44 E47 F48	D22-V26 WeakPolarHBondContact O-CB 3.45Å; D22-V26 VanDerWaalsContact O-CG2 3.27Å; D22-V26 WeakPolarHBondContact O-CG2 3.44Å; D22-V26 PolarHBondContact O-N 3.26Å; V26-M29 HydrophobicContact CB-CE 4.39Å; V26-M29 HydrophobicContact CG2-CE 3.97Å; V26-M29 PolarHBondContact O-N 3.43Å; V26-A30 WeakPolarHBondContact O-CB 3.45Å; V26-A30 PolarHBondContact O-N 2.76Å; V26-Y43 HydrophobicContact CG1-CD1 4.19Å; V26-Y43 HydrophobicContact CG1-CE1 4.12Å; V26-I44 HydrophobicContact CG1-CB 4.22Å; V26-I44 HydrophobicContact CG1-CG1 4.14Å; V26-I44 HydrophobicContact CG1-CG2 4.19Å; V26-E47 HydrophobicContact CG1-CB 3.64Å; V26-E47 HydrophobicContact CG1-CG 3.93Å; V26-E47 HydrophobicContact CG2-CB 4.33Å; V26-F48 HydrophobicContact CB-CE2 4.12Å; V26-F48 HydrophobicContact CG1-CD2 4.36Å; V26-F48 HydrophobicContact CG1-CE2 4.37Å; V26-F48 HydrophobicContact CG2-CE2 4.12Å
27	A	98	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-44.6	174.3	0	0	0	0	0	113.2	A23 V24 Y25 A30 M31 I44 F78 L80 I85	A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.41Å; A23-A27 PolarHBondContact O-N 3.34Å; V24-A27 PolarHBondContact O-N 2.76Å; Y25-A27 VanDerWaalsContact C-N 3.28Å; Y25-A27 PolarHBondContact O-N 3.07Å; A27-A30 WeakPolarHBondContact O-CB 3.47Å; A27-A30 PolarHBondContact O-N 3.42Å; A27-M31 WeakPolarHBondContact O-CG 3.41Å; A27-M31 PolarHBondContact O-N 2.93Å; A27-I44 HydrophobicContact CB-CD1 3.85Å; A27-I44 HydrophobicContact CB-CG1 4.38Å; A27-F78 HydrophobicContact CB-CE2 3.86Å; A27-F78 HydrophobicContact CB-CZ 3.57Å; A27-L80 HydrophobicContact CB-CD2 4.04Å; A27-I85 HydrophobicContact CB-CD1 3.48Å; A27-I85 VanDerWaalsContact CB-CD1 3.48Å
28	A	97.1	Very high	97	Very high	5 Å²	5	59.5 Å²	59.5	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-41.4	177.4	0	0	0	0	0	111.6	I3 K5 V24 Y25 A30 M31 E32 L80	I3-A28 HydrophobicContact CG2-CB 3.21Å; K5-A28 HydrophobicContact CG-CB 4.41Å; V24-A28 WeakPolarHBondContact O-CB 3.4Å; V24-A28 PolarHBondContact O-N 3.41Å; Y25-A28 PolarHBondContact O-N 3.17Å; A28-A30 VanDerWaalsContact C-N 3.34Å; A28-A30 PolarHBondContact O-N 3.02Å; A28-M31 PolarHBondContact O-N 3.11Å; A28-E32 PolarHBondContact O-N 3.02Å; A28-E32 VanDerWaalsContact O-N 3.12Å; A28-L80 HydrophobicContact CB-CD2 3.88Å
29	M	96.4	Very high	97	Very high	24 Å²	24	57 Å²	57	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-41.9	170.7	-74.3	-168.1	-65	0	0	112.9	I3 Y25 V26 M31 E32 K33 Y43	I3-M29 HydrophobicContact CD1-CG 3.36Å; I3-M29 HydrophobicContact CD1-SD 4.1Å; I3-M29 HydrophobicContact CG1-CG 4.28Å; Y25-M29 HydrophobicContact CD1-CE 3.48Å; Y25-M29 VanDerWaalsContact CD1-CE 3.48Å; Y25-M29 HydrophobicContact CD1-SD 4.19Å; Y25-M29 HydrophobicContact CE1-CE 3.33Å; Y25-M29 HydrophobicContact CE1-CG 4.36Å; Y25-M29 HydrophobicContact CE1-SD 3.53Å; Y25-M29 VanDerWaalsContact CE1-SD 3.53Å; Y25-M29 HydrophobicContact CE2-CG 4.42Å; Y25-M29 HydrophobicContact CE2-SD 4.45Å; Y25-M29 HydrophobicContact CG-CE 4.29Å; Y25-M29 WeakPolarHBondContact O-CG 3.41Å; Y25-M29 PolarHBondContact O-N 3.21Å; V26-M29 HydrophobicContact CB-CE 4.39Å; V26-M29 HydrophobicContact CG2-CE 3.97Å; V26-M29 PolarHBondContact O-N 3.43Å; M29-M31 VanDerWaalsContact C-N 3.32Å; M29-M31 PolarHBondContact O-N 2.96Å; M29-E32 PolarHBondContact O-N 3.06Å; M29-K33 WeakPolarHBondContact O-CG 3.47Å; M29-K33 PolarHBondContact O-N 3.22Å; M29-Y43 HydrophobicContact CB-CE1 4.29Å
30	A	97.3	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-41.5	179.7	0	0	0	0	0	111.2	V26 A27 A28 K33 H34 I40 Y43 I44	V26-A30 WeakPolarHBondContact O-CB 3.45Å; V26-A30 PolarHBondContact O-N 2.76Å; A27-A30 WeakPolarHBondContact O-CB 3.47Å; A27-A30 PolarHBondContact O-N 3.42Å; A28-A30 VanDerWaalsContact C-N 3.34Å; A28-A30 PolarHBondContact O-N 3.02Å; A30-K33 PolarHBondContact O-N 3.22Å; A30-H34 WeakPolarHBondContact O-CB 3.46Å; A30-H34 PolarHBondContact O-N 3.24Å; A30-I40 HydrophobicContact CB-CB 4.45Å; A30-I40 HydrophobicContact CB-CG2 3.77Å; A30-Y43 HydrophobicContact CB-CD1 3.51Å; A30-Y43 HydrophobicContact CB-CE1 4.23Å; A30-Y43 HydrophobicContact CB-CG 3.95Å; A30-I44 HydrophobicContact CB-CD1 4.37Å; A30-I44 HydrophobicContact CB-CG1 3.89Å
31	M	95.3	Very high	97.1	Very high	40 Å²	40	54.8 Å²	54.8	20%	0.197	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-28.8	177.6	-73.3	-176.7	168.9	0	0	113.8	A27 A28 M29 I40 L80 M83 I85	A27-M31 WeakPolarHBondContact O-CG 3.41Å; A27-M31 PolarHBondContact O-N 2.93Å; A28-M31 PolarHBondContact O-N 3.11Å; M29-M31 VanDerWaalsContact C-N 3.32Å; M29-M31 PolarHBondContact O-N 2.96Å; M31-I40 HydrophobicContact CG-CD1 4.18Å; M31-I40 HydrophobicContact CG-CG2 4.23Å; M31-L80 HydrophobicContact CE-CB 4.32Å; M31-L80 HydrophobicContact CE-CD2 4.43Å; M31-L80 HydrophobicContact CE-CG 4.45Å; M31-L80 HydrophobicContact SD-CB 4.34Å; M31-L80 HydrophobicContact SD-CD2 3.67Å; M31-L80 HydrophobicContact SD-CG 3.83Å; M31-M83 HydrophobicContact CE-CB 3.5Å; M31-M83 VanDerWaalsContact CE-CB 3.5Å; M31-M83 HydrophobicContact CE-CG 3.71Å; M31-I85 HydrophobicContact CE-CD1 3.89Å
32	E	94.6	Very high	97.2	Very high	113 Å²	113	50.8 Å²	50.8	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-71.2	-33.4	172	-73.3	-179.4	178	0	0	111.9	A28 M29	A28-E32 PolarHBondContact O-N 3.02Å; A28-E32 VanDerWaalsContact O-N 3.12Å; M29-E32 PolarHBondContact O-N 3.06Å
33	K	95.6	Very high	97.2	Very high	128 Å²	128	51.5 Å²	51.5	56%	0.557	25%	0.254	S	S	*	.	H	α-helix	trans	-88.9	-26.3	-175.8	-69.2	177.5	-179	-178.7	0	114.1	M29 A30 Y43	M29-K33 WeakPolarHBondContact O-CG 3.47Å; M29-K33 PolarHBondContact O-N 3.22Å; A30-K33 PolarHBondContact O-N 3.22Å; K33-Y43 HydrophobicContact CD-CD2 4.47Å; K33-Y43 HydrophobicContact CD-CE2 3.75Å; K33-Y43 PolarHBondContact NZ-OH 2.9Å
34	H	96.5	Very high	97.2	Very high	60 Å²	60	51.5 Å²	51.5	28%	0.278	25%	0.254	S	S	.	.			trans	-136.6	139.7	-169.3	-56	-62	0	0	0	111.3	A30 H39 I40 Y43	A30-H34 WeakPolarHBondContact O-CB 3.46Å; A30-H34 PolarHBondContact O-N 3.24Å; H34-H39 HydrophobicContact CB-CB 3.9Å; H34-I40 HydrophobicContact CB-CG1 3.79Å; H34-Y43 AromaticContact NE2-CD2 3.65Å
35	N	94.1	Very high	97.3	Very high	147 Å²	147	53.6 Å²	53.6	79%	0.786	26%	0.263	S	S	*	.	S	Bend	trans	-110.8	5.9	176.4	66.8	-13.7	0	0	0	113.4
36	I	96.8	Very high	97.3	Very high	81 Å²	81	54.4 Å²	54.4	42%	0.415	27%	0.269	S	S	.	.	S	Bend	trans	-112.6	123.4	178.2	-65.5	169.8	0	0	0	108	M38 H39 I40	I36-M38 VanDerWaalsContact C-N 3.25Å; I36-M38 HydrophobicContact CG2-CB 4.2Å; I36-M38 PolarHBondContact O-N 2.92Å; I36-M38 VanDerWaalsContact O-N 3.16Å; I36-H39 HydrophobicContact CB-CB 4.36Å; I36-H39 WeakPolarHBondContact O-CA 3.46Å; I36-H39 WeakPolarHBondContact O-CB 3.27Å; I36-H39 PolarHBondContact O-N 3.27Å; I36-I40 PolarHBondContact O-N 2.99Å
37	D	97.4	Very high	97.3	Very high	68 Å²	68	55.5 Å²	55.5	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-49.7	-44.2	-176.3	-64.9	-2.6	0	0	0	112.8	H39 I40 A41 V60 M83	D37-H39 VanDerWaalsContact C-N 3.33Å; D37-H39 PolarHBondContact O-N 3.48Å; D37-I40 PolarHBondContact O-N 2.83Å; D37-A41 WeakPolarHBondContact O-CB 3.36Å; D37-A41 PolarHBondContact O-N 2.76Å; D37-V60 HydrophobicContact CB-CB 4.5Å; D37-V60 HydrophobicContact CB-CG1 4.33Å; D37-M83 VanDerWaalsContact CG-CE 3.44Å; D37-M83 WeakPolarHBondContact OD1-CE 3.38Å; D37-M83 WeakPolarHBondContact OD2-CE 3.45Å
38	M	98	Very high	97.4	Very high	132 Å²	132	55.5 Å²	55.5	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-60.9	-39.4	177.6	-175.3	-178	71.6	0	0	112.8	I36 S42	I36-M38 VanDerWaalsContact C-N 3.25Å; I36-M38 HydrophobicContact CG2-CB 4.2Å; I36-M38 PolarHBondContact O-N 2.92Å; I36-M38 VanDerWaalsContact O-N 3.16Å; M38-S42 VanDerWaalsContact O-CB 3.3Å; M38-S42 WeakPolarHBondContact O-CB 3.44Å; M38-S42 PolarHBondContact O-N 2.89Å
39	H	98.4	Very high	97.4	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.356	28%	0.28	S	S	.	.	H	α-helix	trans	-72.6	-37.6	178.9	-63.6	169	0	0	0	111.3	H34 I36 D37 S42 Y43	H34-H39 HydrophobicContact CB-CB 3.9Å; I36-H39 HydrophobicContact CB-CB 4.36Å; I36-H39 WeakPolarHBondContact O-CA 3.46Å; I36-H39 WeakPolarHBondContact O-CB 3.27Å; I36-H39 PolarHBondContact O-N 3.27Å; D37-H39 VanDerWaalsContact C-N 3.33Å; D37-H39 PolarHBondContact O-N 3.48Å; H39-S42 PolarHBondContact O-N 3.07Å; H39-Y43 WeakPolarHBondContact O-CB 3.46Å; H39-Y43 PolarHBondContact O-N 2.89Å
40	I	98.4	Very high	97.5	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-50.9	173.3	-61.2	167.6	0	0	0	109.7	A30 M31 H34 I36 D37 S42 Y43 I44 V60	A30-I40 HydrophobicContact CB-CB 4.45Å; A30-I40 HydrophobicContact CB-CG2 3.77Å; M31-I40 HydrophobicContact CG-CD1 4.18Å; M31-I40 HydrophobicContact CG-CG2 4.23Å; H34-I40 HydrophobicContact CB-CG1 3.79Å; I36-I40 PolarHBondContact O-N 2.99Å; D37-I40 PolarHBondContact O-N 2.83Å; I40-S42 PolarHBondContact O-N 2.89Å; I40-Y43 PolarHBondContact O-N 2.92Å; I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 WeakPolarHBondContact O-CG1 3.33Å; I40-I44 PolarHBondContact O-N 3.17Å; I40-V60 HydrophobicContact CB-CG1 4.5Å; I40-V60 HydrophobicContact CB-CG2 4.5Å; I40-V60 HydrophobicContact CG2-CG1 4.24Å; I40-V60 HydrophobicContact CG2-CG2 4.05Å
41	A	98.8	Very high	97.5	Very high	12 Å²	12	67.4 Å²	67.4	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-45.7	178.5	0	0	0	0	0	112	D37 Y43 I44 K45 C58 V60	D37-A41 WeakPolarHBondContact O-CB 3.36Å; D37-A41 PolarHBondContact O-N 2.76Å; A41-Y43 PolarHBondContact O-N 3.16Å; A41-I44 PolarHBondContact O-N 2.82Å; A41-K45 WeakPolarHBondContact O-CB 3.46Å; A41-K45 PolarHBondContact O-N 2.71Å; A41-C58 HydrophobicContact CB-CB 4.25Å; A41-C58 WeakPolarHBondContact O-CB 3.35Å; A41-V60 HydrophobicContact CB-CB 4.23Å; A41-V60 HydrophobicContact CB-CG2 3.76Å
42	S	98.6	Very high	97.6	Very high	50 Å²	50	69.1 Å²	69.1	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-45.7	176.6	-176.3	0	0	0	0	111.5	M38 H39 I40 I44 K45 H46	M38-S42 VanDerWaalsContact O-CB 3.3Å; M38-S42 WeakPolarHBondContact O-CB 3.44Å; M38-S42 PolarHBondContact O-N 2.89Å; H39-S42 PolarHBondContact O-N 3.07Å; I40-S42 PolarHBondContact O-N 2.89Å; S42-I44 PolarHBondContact O-N 3.4Å; S42-K45 PolarHBondContact O-N 2.65Å; S42-H46 PolarHBondContact O-N 3.24Å; S42-H46 PolarHBondContact O-ND1 3.43Å; S42-H46 PolarHBondContact OG-CE1 3.28Å; S42-H46 PolarHBondContact OG-ND1 3.06Å
43	Y	98.7	Very high	97.7	Very high	39 Å²	39	71.7 Å²	71.7	15%	0.153	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-50.6	178.3	-176.4	-81.1	0	0	0	111.6	V26 M29 A30 K33 H34 H39 I40 A41 K45 H46 E47	V26-Y43 HydrophobicContact CG1-CD1 4.19Å; V26-Y43 HydrophobicContact CG1-CE1 4.12Å; M29-Y43 HydrophobicContact CB-CE1 4.29Å; A30-Y43 HydrophobicContact CB-CD1 3.51Å; A30-Y43 HydrophobicContact CB-CE1 4.23Å; A30-Y43 HydrophobicContact CB-CG 3.95Å; K33-Y43 HydrophobicContact CD-CD2 4.47Å; K33-Y43 HydrophobicContact CD-CE2 3.75Å; K33-Y43 PolarHBondContact NZ-OH 2.9Å; H34-Y43 AromaticContact NE2-CD2 3.65Å; H39-Y43 WeakPolarHBondContact O-CB 3.46Å; H39-Y43 PolarHBondContact O-N 2.89Å; I40-Y43 PolarHBondContact O-N 2.92Å; A41-Y43 PolarHBondContact O-N 3.16Å; Y43-K45 PolarHBondContact O-N 3.01Å; Y43-H46 PolarHBondContact O-N 2.9Å; Y43-E47 HydrophobicContact CD1-CG 3.9Å; Y43-E47 HydrophobicContact CE1-CG 3.58Å; Y43-E47 WeakPolarHBondContact O-CG 3.26Å; Y43-E47 PolarHBondContact O-N 2.9Å
44	I	98.7	Very high	97.8	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-48.2	-178.9	-61.5	164.1	0	0	0	110.7	V26 A27 A30 I40 A41 S42 H46 E47 F48 V60 I85 L87	V26-I44 HydrophobicContact CG1-CB 4.22Å; V26-I44 HydrophobicContact CG1-CG1 4.14Å; V26-I44 HydrophobicContact CG1-CG2 4.19Å; A27-I44 HydrophobicContact CB-CD1 3.85Å; A27-I44 HydrophobicContact CB-CG1 4.38Å; A30-I44 HydrophobicContact CB-CD1 4.37Å; A30-I44 HydrophobicContact CB-CG1 3.89Å; I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 WeakPolarHBondContact O-CG1 3.33Å; I40-I44 PolarHBondContact O-N 3.17Å; A41-I44 PolarHBondContact O-N 2.82Å; S42-I44 PolarHBondContact O-N 3.4Å; I44-H46 PolarHBondContact O-N 3.14Å; I44-E47 PolarHBondContact O-N 2.67Å; I44-F48 HydrophobicContact CG2-CD2 4.34Å; I44-F48 PolarHBondContact O-N 3.03Å; I44-V60 HydrophobicContact CD1-CG2 4.27Å; I44-I85 HydrophobicContact CD1-CD1 4.28Å; I44-I85 HydrophobicContact CD1-CG2 4.15Å; I44-L87 HydrophobicContact CG2-CD1 3.93Å; I44-L87 HydrophobicContact CG2-CD2 3.79Å; I44-L87 HydrophobicContact CG2-CG 4.36Å
45	K	98.6	Very high	97.8	Very high	56 Å²	56	68 Å²	68	24%	0.243	33%	0.333	C	S	.	.	H	α-helix	trans	-52.8	-54.4	176.5	-179.8	-150.6	176.9	-77.3	0	111.9	A41 S42 Y43 E47 F48 D49 W56 C58	A41-K45 WeakPolarHBondContact O-CB 3.46Å; A41-K45 PolarHBondContact O-N 2.71Å; S42-K45 PolarHBondContact O-N 2.65Å; Y43-K45 PolarHBondContact O-N 3.01Å; K45-E47 PolarHBondContact O-N 2.97Å; K45-F48 PolarHBondContact O-N 3.34Å; K45-D49 IonicContact NZ-OD2 2.59Å; K45-D49 PolarHBondContact NZ-OD2 3.46Å; K45-D49 PolarHBondContact O-N 3.06Å; K45-W56 WeakPolarHBondContact CE-O 3.43Å; K45-W56 HydrophobicContact CG-CB 4.46Å; K45-W56 VanDerWaalsContact CG-O 3.23Å; K45-W56 WeakPolarHBondContact CG-O 3.49Å; K45-C58 HydrophobicContact CB-CB 4.21Å
46	H	98.5	Very high	98	Very high	103 Å²	103	61.1 Å²	61.1	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-36.1	-174.9	-72.3	93.7	0	0	0	112.5	S42 Y43 I44 F48 R50	S42-H46 PolarHBondContact O-N 3.24Å; S42-H46 PolarHBondContact O-ND1 3.43Å; S42-H46 PolarHBondContact OG-CE1 3.28Å; S42-H46 PolarHBondContact OG-ND1 3.06Å; Y43-H46 PolarHBondContact O-N 2.9Å; I44-H46 PolarHBondContact O-N 3.14Å; H46-F48 VanDerWaalsContact C-N 3.34Å; H46-R50 WeakPolarHBondContact O-CB 3.46Å; H46-R50 PolarHBondContact O-N 3.48Å; H46-R50 VanDerWaalsContact O-N 3.08Å
47	E	98.5	Very high	98.1	Very high	23 Å²	23	59.8 Å²	59.8	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-43.4	173.4	-73.5	-69.3	122	0	0	111.3	V26 Y43 I44 K45 R50 K51	V26-E47 HydrophobicContact CG1-CB 3.64Å; V26-E47 HydrophobicContact CG1-CG 3.93Å; V26-E47 HydrophobicContact CG2-CB 4.33Å; Y43-E47 HydrophobicContact CD1-CG 3.9Å; Y43-E47 HydrophobicContact CE1-CG 3.58Å; Y43-E47 WeakPolarHBondContact O-CG 3.26Å; Y43-E47 PolarHBondContact O-N 2.9Å; I44-E47 PolarHBondContact O-N 2.67Å; K45-E47 PolarHBondContact O-N 2.97Å; E47-R50 PolarHBondContact O-N 3.41Å; E47-R50 IonicContact OE1-CZ 3.19Å; E47-R50 IonicContact OE1-NH1 2.67Å; E47-R50 PolarHBondContact OE1-NH1 2.89Å; E47-R50 IonicContact OE1-NH2 2.97Å; E47-R50 PolarHBondContact OE1-NH2 3.23Å; E47-R50 IonicContact OE2-CZ 3.59Å; E47-R50 IonicContact OE2-NH1 3.85Å; E47-R50 IonicContact OE2-NH2 2.65Å; E47-R50 PolarHBondContact OE2-NH2 3.02Å; E47-K51 WeakPolarHBondContact O-CB 3.3Å; E47-K51 WeakPolarHBondContact O-CG 3.43Å; E47-K51 PolarHBondContact O-N 3.49Å
48	F	98.6	Very high	98.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.7	-39.3	178.3	-94.3	-109.7	0	0	0	113.1	M15 M19 A23 V26 I44 K45 H46 R50 K51 Y52 W56 L87	M15-F48 HydrophobicContact CE-CE1 4.41Å; M19-F48 HydrophobicContact CE-CD1 4Å; M19-F48 HydrophobicContact CE-CE1 3.73Å; M19-F48 HydrophobicContact CG-CE1 4.16Å; A23-F48 VanDerWaalsContact CA-CZ 3.41Å; A23-F48 HydrophobicContact CB-CE1 4.36Å; A23-F48 HydrophobicContact CB-CE2 4.19Å; A23-F48 HydrophobicContact CB-CZ 3.56Å; V26-F48 HydrophobicContact CB-CE2 4.12Å; V26-F48 HydrophobicContact CG1-CD2 4.36Å; V26-F48 HydrophobicContact CG1-CE2 4.37Å; V26-F48 HydrophobicContact CG2-CE2 4.12Å; I44-F48 HydrophobicContact CG2-CD2 4.34Å; I44-F48 PolarHBondContact O-N 3.03Å; K45-F48 PolarHBondContact O-N 3.34Å; H46-F48 VanDerWaalsContact C-N 3.34Å; F48-R50 PolarHBondContact O-N 3.45Å; F48-K51 PolarHBondContact O-N 2.91Å; F48-Y52 HydrophobicContact CB-CD2 4.44Å; F48-Y52 AromaticContact CD1-CD2 3.48Å; F48-Y52 HydrophobicContact CD1-CD2 3.48Å; F48-Y52 VanDerWaalsContact CD1-CD2 3.48Å; F48-Y52 AromaticContact CD1-CE2 3.93Å; F48-Y52 HydrophobicContact CD1-CE2 3.93Å; F48-Y52 HydrophobicContact CD1-CG 4.44Å; F48-Y52 AromaticContact CE1-CD2 3.67Å; F48-Y52 HydrophobicContact CE1-CD2 3.67Å; F48-Y52 AromaticContact CE1-CE2 3.65Å; F48-Y52 HydrophobicContact CE1-CE2 3.65Å; F48-Y52 HydrophobicContact CE2-CE2 4.33Å; F48-Y52 AromaticContact CG-CD2 3.95Å; F48-Y52 HydrophobicContact CG-CD2 3.95Å; F48-Y52 HydrophobicContact CG-CE2 4.38Å; F48-Y52 HydrophobicContact CZ-CD2 4.26Å; F48-Y52 AromaticContact CZ-CE2 3.84Å; F48-Y52 HydrophobicContact CZ-CE2 3.84Å; F48-Y52 WeakPolarHBondContact O-CA 3.46Å; F48-Y52 WeakPolarHBondContact O-CB 3.32Å; F48-Y52 PolarHBondContact O-N 3.21Å; F48-W56 VanDerWaalsContact C-CD1 3.45Å; F48-W56 HydrophobicContact CB-CB 4.07Å; F48-W56 HydrophobicContact CB-CD2 3.76Å; F48-W56 HydrophobicContact CB-CE3 4.31Å; F48-W56 HydrophobicContact CB-CG 3.6Å; F48-W56 AromaticContact CD1-CD2 3.8Å; F48-W56 HydrophobicContact CD1-CD2 3.8Å; F48-W56 AromaticContact CD1-CE2 3.84Å; F48-W56 AromaticContact CD1-CE3 3.8Å; F48-W56 HydrophobicContact CD1-CE3 3.8Å; F48-W56 AromaticContact CD1-CH2 3.95Å; F48-W56 HydrophobicContact CD1-CH2 3.95Å; F48-W56 AromaticContact CD1-CZ2 3.95Å; F48-W56 HydrophobicContact CD1-CZ2 3.95Å; F48-W56 AromaticContact CD1-CZ3 3.87Å; F48-W56 HydrophobicContact CD1-CZ3 3.87Å; F48-W56 HydrophobicContact CE1-CH2 4.34Å; F48-W56 HydrophobicContact CE1-CZ3 4.36Å; F48-W56 HydrophobicContact CG-CD2 4.23Å; F48-W56 HydrophobicContact CG-CE3 4.41Å; F48-W56 PolarHBondContact O-NE1 3.06Å; F48-L87 HydrophobicContact CB-CD1 4.49Å; F48-L87 HydrophobicContact CD1-CD2 3.65Å; F48-L87 HydrophobicContact CD1-CG 4.35Å; F48-L87 HydrophobicContact CD2-CD2 3.79Å; F48-L87 HydrophobicContact CE1-CD2 3.56Å; F48-L87 HydrophobicContact CE2-CD2 3.73Å; F48-L87 HydrophobicContact CG-CD1 4.34Å; F48-L87 HydrophobicContact CG-CD2 3.77Å; F48-L87 HydrophobicContact CZ-CD2 3.63Å
49	D	98.3	Very high	98.2	Very high	28 Å²	28	54.8 Å²	54.8	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-42.1	171.2	-76.6	-27.6	0	0	0	111.9	K45 K53 A54 W56	K45-D49 IonicContact NZ-OD2 2.59Å; K45-D49 PolarHBondContact NZ-OD2 3.46Å; K45-D49 PolarHBondContact O-N 3.06Å; D49-K53 CarbonylContact O-C 3.55Å; D49-K53 VanDerWaalsContact O-CA 3.31Å; D49-K53 WeakPolarHBondContact O-CA 3.41Å; D49-K53 PolarHBondContact O-N 3.02Å; D49-A54 HydrophobicContact CB-CB 4.3Å; D49-A54 PolarHBondContact O-N 3.42Å; D49-A54 VanDerWaalsContact OD1-CA 3.29Å; D49-A54 WeakPolarHBondContact OD1-CA 3.43Å; D49-W56 WeakPolarHBondContact OD1-CB 3.36Å; D49-W56 PolarHBondContact OD1-N 3Å
50	R	98	Very high	98.2	Very high	165 Å²	165	51.9 Å²	51.9	62%	0.623	25%	0.254	S	S	*	.	H	α-helix	trans	-69.5	-43.1	-179.9	-171.1	-179.1	70.3	-132.9	-4.4	112.2	H46 E47 F48	H46-R50 WeakPolarHBondContact O-CB 3.46Å; H46-R50 PolarHBondContact O-N 3.48Å; H46-R50 VanDerWaalsContact O-N 3.08Å; E47-R50 PolarHBondContact O-N 3.41Å; E47-R50 IonicContact OE1-CZ 3.19Å; E47-R50 IonicContact OE1-NH1 2.67Å; E47-R50 PolarHBondContact OE1-NH1 2.89Å; E47-R50 IonicContact OE1-NH2 2.97Å; E47-R50 PolarHBondContact OE1-NH2 3.23Å; E47-R50 IonicContact OE2-CZ 3.59Å; E47-R50 IonicContact OE2-NH1 3.85Å; E47-R50 IonicContact OE2-NH2 2.65Å; E47-R50 PolarHBondContact OE2-NH2 3.02Å; F48-R50 PolarHBondContact O-N 3.45Å
51	K	98.1	Very high	98.1	Very high	85 Å²	85	51.9 Å²	51.9	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-82.5	-37.5	-174.9	-70.2	-177.1	-175.6	-174.5	0	113.5	D22 E47 F48	D22-K51 IonicContact OD1-NZ 2.71Å; D22-K51 PolarHBondContact OD1-NZ 3.2Å; D22-K51 WeakPolarHBondContact OD2-CD 3.15Å; D22-K51 IonicContact OD2-NZ 3.91Å; D22-K51 PolarHBondContact OD2-NZ 3.21Å; E47-K51 WeakPolarHBondContact O-CB 3.3Å; E47-K51 WeakPolarHBondContact O-CG 3.43Å; E47-K51 PolarHBondContact O-N 3.49Å; F48-K51 PolarHBondContact O-N 2.91Å
52	Y	97.6	Very high	98	Very high	76 Å²	76	57.4 Å²	57.4	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-124.8	18.4	-165.7	-57.6	-71.7	0	0	0	113.7	M19 D22 F48	M19-Y52 HydrophobicContact CE-CD1 3.6Å; M19-Y52 HydrophobicContact CE-CD2 3.61Å; M19-Y52 HydrophobicContact CE-CE1 4.02Å; M19-Y52 HydrophobicContact CE-CE2 4.02Å; M19-Y52 HydrophobicContact CE-CG 3.37Å; M19-Y52 HydrophobicContact CG-CE1 4.11Å; M19-Y52 HydrophobicContact CG-CE2 4.27Å; M19-Y52 HydrophobicContact SD-CD1 4.29Å; M19-Y52 HydrophobicContact SD-CE1 4.3Å; D22-Y52 WeakPolarHBondContact CB-OH 3.34Å; D22-Y52 WeakPolarHBondContact OD2-CE2 3.46Å; D22-Y52 PolarHBondContact OD2-OH 2.72Å; D22-Y52 VanDerWaalsContact OD2-OH 3.14Å; F48-Y52 HydrophobicContact CB-CD2 4.44Å; F48-Y52 AromaticContact CD1-CD2 3.48Å; F48-Y52 HydrophobicContact CD1-CD2 3.48Å; F48-Y52 VanDerWaalsContact CD1-CD2 3.48Å; F48-Y52 AromaticContact CD1-CE2 3.93Å; F48-Y52 HydrophobicContact CD1-CE2 3.93Å; F48-Y52 HydrophobicContact CD1-CG 4.44Å; F48-Y52 AromaticContact CE1-CD2 3.67Å; F48-Y52 HydrophobicContact CE1-CD2 3.67Å; F48-Y52 AromaticContact CE1-CE2 3.65Å; F48-Y52 HydrophobicContact CE1-CE2 3.65Å; F48-Y52 HydrophobicContact CE2-CE2 4.33Å; F48-Y52 AromaticContact CG-CD2 3.95Å; F48-Y52 HydrophobicContact CG-CD2 3.95Å; F48-Y52 HydrophobicContact CG-CE2 4.38Å; F48-Y52 HydrophobicContact CZ-CD2 4.26Å; F48-Y52 AromaticContact CZ-CE2 3.84Å; F48-Y52 HydrophobicContact CZ-CE2 3.84Å; F48-Y52 WeakPolarHBondContact O-CA 3.46Å; F48-Y52 WeakPolarHBondContact O-CB 3.32Å; F48-Y52 PolarHBondContact O-N 3.21Å
53	K	95.9	Very high	97.8	Very high	167 Å²	167	62.4 Å²	62.4	73%	0.726	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	129.4	-179.9	-173.3	-172.7	174.8	-172.7	0	113.1	D49 W56 K89	D49-K53 CarbonylContact O-C 3.55Å; D49-K53 VanDerWaalsContact O-CA 3.31Å; D49-K53 WeakPolarHBondContact O-CA 3.41Å; D49-K53 PolarHBondContact O-N 3.02Å; K53-W56 PolarHBondContact O-NE1 2.94Å; K53-K89 PolarHBondContact O-NZ 3.43Å
54	A	97	Very high	97.7	Very high	47 Å²	47	63.8 Å²	63.8	39%	0.388	31%	0.308	S	S	.	.	S	Bend	trans	-53.3	149.9	173.7	0	0	0	0	0	113.1	D49 K89	D49-A54 HydrophobicContact CB-CB 4.3Å; D49-A54 PolarHBondContact O-N 3.42Å; D49-A54 VanDerWaalsContact OD1-CA 3.29Å; D49-A54 WeakPolarHBondContact OD1-CA 3.43Å; A54-K89 PolarHBondContact O-NZ 2.93Å
55	T	96.8	Very high	97.5	Very high	63 Å²	63	67.5 Å²	67.5	39%	0.387	35%	0.346	S	S	.	.			cis	-116.4	115.5	14.4	-50.9	0	0	0	0	113.7	L90 G91	T55-L90 PolarHBondContact O-N 2.94Å; T55-G91 PolarHBondContact N-OXT 3.28Å
56	W	98.6	Very high	97.3	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	152.2	172.5	-69.7	84.2	0	0	0	111.7	M15 M19 K45 F48 D49 K53 G74 L87 K89	M15-W56 HydrophobicContact CE-CH2 3.54Å; M15-W56 HydrophobicContact CE-CZ3 3.36Å; M19-W56 HydrophobicContact CE-CH2 3.27Å; M19-W56 HydrophobicContact CE-CZ2 3.19Å; M19-W56 HydrophobicContact CE-CZ3 4.4Å; K45-W56 WeakPolarHBondContact CE-O 3.43Å; K45-W56 HydrophobicContact CG-CB 4.46Å; K45-W56 VanDerWaalsContact CG-O 3.23Å; K45-W56 WeakPolarHBondContact CG-O 3.49Å; F48-W56 VanDerWaalsContact C-CD1 3.45Å; F48-W56 HydrophobicContact CB-CB 4.07Å; F48-W56 HydrophobicContact CB-CD2 3.76Å; F48-W56 HydrophobicContact CB-CE3 4.31Å; F48-W56 HydrophobicContact CB-CG 3.6Å; F48-W56 AromaticContact CD1-CD2 3.8Å; F48-W56 HydrophobicContact CD1-CD2 3.8Å; F48-W56 AromaticContact CD1-CE2 3.84Å; F48-W56 AromaticContact CD1-CE3 3.8Å; F48-W56 HydrophobicContact CD1-CE3 3.8Å; F48-W56 AromaticContact CD1-CH2 3.95Å; F48-W56 HydrophobicContact CD1-CH2 3.95Å; F48-W56 AromaticContact CD1-CZ2 3.95Å; F48-W56 HydrophobicContact CD1-CZ2 3.95Å; F48-W56 AromaticContact CD1-CZ3 3.87Å; F48-W56 HydrophobicContact CD1-CZ3 3.87Å; F48-W56 HydrophobicContact CE1-CH2 4.34Å; F48-W56 HydrophobicContact CE1-CZ3 4.36Å; F48-W56 HydrophobicContact CG-CD2 4.23Å; F48-W56 HydrophobicContact CG-CE3 4.41Å; F48-W56 PolarHBondContact O-NE1 3.06Å; D49-W56 WeakPolarHBondContact OD1-CB 3.36Å; D49-W56 PolarHBondContact OD1-N 3Å; K53-W56 PolarHBondContact O-NE1 2.94Å; W56-G74 VanDerWaalsContact CZ3-O 3.22Å; W56-G74 WeakPolarHBondContact CZ3-O 3.43Å; W56-L87 HydrophobicContact CB-CD1 4.48Å; W56-L87 HydrophobicContact CD2-CD1 4.49Å; W56-L87 HydrophobicContact CE3-CD1 3.69Å; W56-L87 HydrophobicContact CE3-CD2 4.49Å; W56-L87 HydrophobicContact CE3-CG 3.79Å; W56-L87 HydrophobicContact CZ3-CD1 4.41Å; W56-L87 HydrophobicContact CZ3-CG 4.01Å; W56-K89 HydrophobicContact CD2-CB 4.17Å; W56-K89 HydrophobicContact CE3-CB 4.15Å; W56-K89 HydrophobicContact CH2-CB 4.01Å; W56-K89 HydrophobicContact CZ2-CB 4.02Å; W56-K89 HydrophobicContact CZ2-CD 4.2Å; W56-K89 HydrophobicContact CZ2-CG 4.44Å; W56-K89 HydrophobicContact CZ3-CB 4.08Å
57	N	98.4	Very high	97.1	Very high	53 Å²	53	72.3 Å²	72.3	28%	0.283	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.4	176.7	-61.9	-85.8	0	0	0	108.2	L87 F88	N57-L87 WeakPolarHBondContact O-CA 3.23Å; N57-L87 WeakPolarHBondContact O-CD1 3.42Å; N57-F88 HydrophobicContact CB-CD1 4.09Å; N57-F88 HydrophobicContact CB-CD2 4.15Å; N57-F88 HydrophobicContact CB-CE1 3.62Å; N57-F88 HydrophobicContact CB-CE2 3.69Å; N57-F88 HydrophobicContact CB-CG 4.34Å; N57-F88 HydrophobicContact CB-CZ 3.41Å; N57-F88 VanDerWaalsContact CB-CZ 3.41Å; N57-F88 PolarHBondContact N-O 2.99Å; N57-F88 PolarHBondContact O-N 3Å
58	C	98.6	Very high	96.9	Very high	23 Å²	23	73.7 Å²	73.7	16%	0.155	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.3	-179.3	-168.8	0	0	0	0	110.2	A41 K45 L86 L87	A41-C58 HydrophobicContact CB-CB 4.25Å; A41-C58 WeakPolarHBondContact O-CB 3.35Å; K45-C58 HydrophobicContact CB-CB 4.21Å; C58-L86 CarbonylContact C-O 3.52Å; C58-L86 VanDerWaalsContact CA-O 3.3Å; C58-L86 WeakPolarHBondContact CA-O 3.29Å; C58-L87 HydrophobicContact CB-CD1 4.12Å
59	I	98.3	Very high	96.7	Very high	71 Å²	71	80.9 Å²	80.9	36%	0.364	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.5	171.2	-52.5	-178.7	0	0	0	107.3	F64 I85 L86	I59-F64 HydrophobicContact CG2-CD1 4.3Å; I59-F64 HydrophobicContact CG2-CE1 4.36Å; I59-F64 HydrophobicContact CG2-CG 4.42Å; I59-I85 WeakPolarHBondContact O-CA 3.33Å; I59-L86 HydrophobicContact CB-CB 4.27Å; I59-L86 HydrophobicContact CD1-CD2 4.17Å; I59-L86 PolarHBondContact N-O 2.86Å; I59-L86 PolarHBondContact O-N 2.76Å
60	V	98.4	Very high	96.7	Very high	16 Å²	16	82.7 Å²	82.7	10%	0.097	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.2	176.7	178.1	0	0	0	0	107.6	D37 I40 A41 I44 M83 N84 I85	D37-V60 HydrophobicContact CB-CB 4.5Å; D37-V60 HydrophobicContact CB-CG1 4.33Å; I40-V60 HydrophobicContact CB-CG1 4.5Å; I40-V60 HydrophobicContact CB-CG2 4.5Å; I40-V60 HydrophobicContact CG2-CG1 4.24Å; I40-V60 HydrophobicContact CG2-CG2 4.05Å; A41-V60 HydrophobicContact CB-CB 4.23Å; A41-V60 HydrophobicContact CB-CG2 3.76Å; I44-V60 HydrophobicContact CD1-CG2 4.27Å; V60-M83 HydrophobicContact CG1-CE 3.76Å; V60-N84 WeakPolarHBondContact CA-O 3.5Å; V60-I85 HydrophobicContact CG2-CG1 4.27Å; V60-I85 HydrophobicContact CG2-CG2 4.4Å
61	G	97.6	Very high	96.6	Very high	9 Å²	9	77.7 Å²	77.7	9%	0.093	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	160.5	177.1	0	0	0	0	0	112.9	N84	G61-N84 PolarHBondContact N-O 3.39Å; G61-N84 VanDerWaalsContact N-O 3.07Å; G61-N84 WeakPolarHBondContact O-CB 3.43Å; G61-N84 PolarHBondContact O-N 3.47Å
62	K	96.3	Very high	96.5	Very high	127 Å²	127	85.3 Å²	85.3	55%	0.552	43%	0.434	S	S	*	.	S	Bend	trans	-70.2	-38.8	175.3	-65.6	-174.1	-174.9	-179.4	0	112.2	M83 N84	K62-M83 HydrophobicContact CD-SD 4.39Å; K62-M83 HydrophobicContact CG-CE 4.21Å; K62-M83 HydrophobicContact CG-SD 3.44Å; K62-M83 WeakPolarHBondContact CG-SD 3.12Å; K62-N84 PolarHBondContact O-ND2 3.22Å
63	N	94.7	Very high	96.5	Very high	155 Å²	155	83.2 Å²	83.2	83%	0.829	44%	0.435	S	S	*	.	S	Bend	trans	-140.8	118.6	-177	-59.9	-68.9	0	0	0	109.6
64	F	96.7	Very high	96.6	Very high	69 Å²	69	75.3 Å²	75.3	30%	0.303	40%	0.401	S	S	.	.			trans	-153.8	156.2	168.7	60	-97	0	0	0	109.6	I59 N84 L86	I59-F64 HydrophobicContact CG2-CD1 4.3Å; I59-F64 HydrophobicContact CG2-CE1 4.36Å; I59-F64 HydrophobicContact CG2-CG 4.42Å; F64-N84 HydrophobicContact CD1-CB 4.31Å; F64-N84 HydrophobicContact CE1-CB 3.42Å; F64-N84 VanDerWaalsContact CE1-CB 3.42Å; F64-N84 WeakPolarHBondContact CE1-O 3.44Å; F64-N84 HydrophobicContact CZ-CB 3.68Å; F64-L86 HydrophobicContact CE2-CB 3.97Å; F64-L86 HydrophobicContact CE2-CD2 4.39Å; F64-L86 HydrophobicContact CZ-CB 3.95Å
65	G	95.1	Very high	96.7	Very high	78 Å²	78	74.3 Å²	74.3	80%	0.804	39%	0.388	S	S	*	.			trans	-110.1	150.4	162.9	0	0	0	0	0	109.3
66	S	93.9	Very high	96.8	Very high	60 Å²	60	71.3 Å²	71.3	42%	0.42	37%	0.369	S	S	.	.			trans	-139.4	137.3	179	60	0	0	0	0	111
67	F	93.8	Very high	96.8	Very high	199 Å²	199	72 Å²	72	87%	0.873	38%	0.375	S	S	*	.			trans	-134.3	94.8	167.7	-168.2	-90.4	0	0	0	107.2
68	I	93.8	Very high	96.7	Very high	52 Å²	52	69.5 Å²	69.5	27%	0.267	36%	0.362	S	S	.	.			trans	-127.2	147.6	-167.6	60.1	158.3	0	0	0	111.7	F75 L86 F88	I68-F75 HydrophobicContact CD1-CD2 4.1Å; I68-F75 HydrophobicContact CD1-CE2 3.96Å; I68-F75 HydrophobicContact CG1-CE2 4.26Å; I68-L86 HydrophobicContact CD1-CD1 4.45Å; I68-L86 HydrophobicContact CD1-CD2 3.87Å; I68-L86 HydrophobicContact CD1-CG 4.33Å; I68-L86 HydrophobicContact CG1-CD2 4.47Å; I68-F88 HydrophobicContact CD1-CB 3.86Å; I68-F88 HydrophobicContact CD1-CD1 3.35Å; I68-F88 HydrophobicContact CD1-CD2 3.62Å; I68-F88 HydrophobicContact CD1-CE1 3.66Å; I68-F88 HydrophobicContact CD1-CE2 3.91Å; I68-F88 HydrophobicContact CD1-CG 3.31Å; I68-F88 HydrophobicContact CD1-CZ 3.93Å
69	H	95.5	Very high	96.7	Very high	152 Å²	152	73.3 Å²	73.3	70%	0.704	37%	0.373	S	S	*	.			trans	-88.5	146.1	162.1	-64.5	92.7	0	0	0	109
70	H	96.9	Very high	96.5	Very high	66 Å²	66	70 Å²	70	31%	0.306	36%	0.356	S	S	.	.			trans	-149.6	159.5	178.6	55.8	-90	0	0	0	109.8	D14 F75 F88 K89	D14-H70 IonicContact OD2-CD2 3.8Å; D14-H70 IonicContact OD2-NE2 3.67Å; H70-F75 HydrophobicContact CB-CB 4.38Å; H70-F75 HydrophobicContact CB-CD2 4.47Å; H70-F75 WeakPolarHBondContact CD2-CB 3.38Å; H70-F75 AromaticContact CD2-CG 3.95Å; H70-F75 AromaticContact CE1-CD2 3.57Å; H70-F75 AromaticContact CE1-CG 3.69Å; H70-F75 AromaticContact CG-CD2 3.81Å; H70-F75 AromaticContact ND1-CD2 3.43Å; H70-F75 WeakPolarHBondContact ND1-CD2 3.43Å; H70-F75 AromaticContact ND1-CG 3.92Å; H70-F75 WeakPolarHBondContact NE2-CB 3.41Å; H70-F75 AromaticContact NE2-CG 3.71Å; H70-F88 HydrophobicContact CB-CB 4.01Å; H70-F88 HydrophobicContact CB-CD2 4.26Å; H70-K89 CarbonylContact C-O 3.6Å; H70-K89 VanDerWaalsContact CA-O 3.29Å; H70-K89 WeakPolarHBondContact CA-O 3.29Å; H70-K89 WeakPolarHBondContact CB-O 3.36Å
71	D	97.3	Very high	96.2	Very high	59 Å²	59	72.7 Å²	72.7	32%	0.316	37%	0.369	S	S	.	.			trans	-72.5	142	173.7	-59.8	-31.4	0	0	0	110.3	G73 G74 K89 G91	D71-G73 PolarHBondContact O-N 3.47Å; D71-G74 WeakPolarHBondContact O-CA 3.34Å; D71-G74 PolarHBondContact O-N 2.78Å; D71-K89 HydrophobicContact CB-CB 4.38Å; D71-K89 HydrophobicContact CB-CD 4.49Å; D71-K89 HydrophobicContact CB-CG 4.43Å; D71-K89 PolarHBondContact N-O 3.22Å; D71-G91 PolarHBondContact OD2-N 3.45Å
72	R	96.5	Very high	95.8	Very high	246 Å²	246	76 Å²	76	93%	0.928	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	135	179.9	-176.2	-178.6	-178.7	-174.1	0.7	111.3
73	G	97.2	Very high	95.8	Very high	31 Å²	31	70.7 Å²	70.7	32%	0.32	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	6.9	-177.6	0	0	0	0	0	113.6	D14 D71	D14-G73 VanDerWaalsContact CG-N 3.27Å; D14-G73 WeakPolarHBondContact O-CA 3.43Å; D14-G73 VanDerWaalsContact OD1-C 3.27Å; D14-G73 WeakPolarHBondContact OD1-CA 3.22Å; D14-G73 PolarHBondContact OD1-N 3.45Å; D14-G73 PolarHBondContact OD2-N 2.77Å; D71-G73 PolarHBondContact O-N 3.47Å
74	G	97.8	Very high	95.9	Very high	2 Å²	2	65 Å²	65	2%	0.021	34%	0.338	C	S	.	.			trans	-117.3	19.3	-168.7	0	0	0	0	0	113.8	D14 W56 D71 F88 K89	D14-G74 PolarHBondContact OD1-N 2.76Å; W56-G74 VanDerWaalsContact CZ3-O 3.22Å; W56-G74 WeakPolarHBondContact CZ3-O 3.43Å; D71-G74 WeakPolarHBondContact O-CA 3.34Å; D71-G74 PolarHBondContact O-N 2.78Å; G74-F88 CarbonylContact O-C 3.38Å; G74-F88 WeakPolarHBondContact O-CA 3.3Å; G74-K89 PolarHBondContact O-N 2.79Å
75	F	98.4	Very high	96	Very high	25 Å²	25	61.7 Å²	61.7	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.8	-172.1	171.9	-79.8	0	0	0	113.4	K12 S13 D14 I68 H70 L86 F88	K12-F75 HydrophobicContact CB-CE1 3.81Å; S13-F75 VanDerWaalsContact CA-O 3.26Å; S13-F75 WeakPolarHBondContact CA-O 3.39Å; S13-F75 PolarHBondContact OG-O 3.37Å; D14-F75 PolarHBondContact N-O 2.86Å; D14-F75 WeakPolarHBondContact OD1-CA 3.44Å; D14-F75 WeakPolarHBondContact OD1-CB 3.5Å; D14-F75 PolarHBondContact OD1-N 2.86Å; I68-F75 HydrophobicContact CD1-CD2 4.1Å; I68-F75 HydrophobicContact CD1-CE2 3.96Å; I68-F75 HydrophobicContact CG1-CE2 4.26Å; H70-F75 HydrophobicContact CB-CB 4.38Å; H70-F75 HydrophobicContact CB-CD2 4.47Å; H70-F75 WeakPolarHBondContact CD2-CB 3.38Å; H70-F75 AromaticContact CD2-CG 3.95Å; H70-F75 AromaticContact CE1-CD2 3.57Å; H70-F75 AromaticContact CE1-CG 3.69Å; H70-F75 AromaticContact CG-CD2 3.81Å; H70-F75 AromaticContact ND1-CD2 3.43Å; H70-F75 WeakPolarHBondContact ND1-CD2 3.43Å; H70-F75 AromaticContact ND1-CG 3.92Å; H70-F75 WeakPolarHBondContact NE2-CB 3.41Å; H70-F75 AromaticContact NE2-CG 3.71Å; F75-L86 HydrophobicContact CD2-CD1 4.24Å; F75-L86 HydrophobicContact CE2-CD1 3.45Å; F75-L86 VanDerWaalsContact CE2-CD1 3.45Å; F75-L86 HydrophobicContact CZ-CD1 3.68Å; F75-F88 HydrophobicContact CD2-CB 4.05Å
76	I	98.6	Very high	96.2	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	137.2	168.7	-168.4	174.6	0	0	0	110.6	I10 K12 M15 E20 A23 F78 L87	I10-I76 HydrophobicContact CD1-CD1 4.28Å; I10-I76 HydrophobicContact CG1-CD1 4.38Å; I10-I76 HydrophobicContact CG2-CD1 4.48Å; I10-I76 HydrophobicContact CG2-CG1 4.32Å; K12-I76 CarbonylContact O-C 3.57Å; K12-I76 WeakPolarHBondContact O-CA 3.23Å; M15-I76 HydrophobicContact CE-CB 3.89Å; M15-I76 HydrophobicContact CE-CG2 3.52Å; M15-I76 HydrophobicContact SD-CB 3.8Å; M15-I76 HydrophobicContact SD-CG2 3.76Å; E20-I76 HydrophobicContact CB-CD1 4Å; E20-I76 HydrophobicContact CG-CD1 4.09Å; A23-I76 HydrophobicContact CB-CD1 4.09Å; A23-I76 HydrophobicContact CB-CG2 3.96Å; I76-F78 HydrophobicContact CD1-CD1 3.96Å; I76-F78 HydrophobicContact CD1-CE1 4.38Å; I76-F78 HydrophobicContact CG1-CD1 3.87Å; I76-F78 HydrophobicContact CG2-CD1 4.23Å; I76-F78 HydrophobicContact CG2-CE1 4.16Å; I76-L87 HydrophobicContact CG2-CB 3.82Å; I76-L87 HydrophobicContact CG2-CD2 4.18Å; I76-L87 HydrophobicContact CG2-CG 4.34Å; I76-L87 PolarHBondContact N-O 2.92Å; I76-L87 PolarHBondContact O-N 2.93Å
77	S	98	Very high	96.4	Very high	19 Å²	19	55.1 Å²	55.1	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.5	169.3	-173.5	0	0	0	0	108.6	D11 K12 I85	D11-S77 PolarHBondContact N-O 3.09Å; K12-S77 PolarHBondContact N-O 2.8Å; K12-S77 VanDerWaalsContact N-O 3.11Å; K12-S77 PolarHBondContact O-N 2.92Å; S77-I85 WeakPolarHBondContact CA-O 3.4Å
78	F	98	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.1	-177.6	65.8	-80.1	0	0	0	111	V9 I10 A23 V24 A27 I76 L80 I85	V9-F78 CarbonylContact O-C 3.51Å; V9-F78 VanDerWaalsContact O-CA 3.23Å; V9-F78 WeakPolarHBondContact O-CA 3.37Å; V9-F78 WeakPolarHBondContact O-CB 3.33Å; I10-F78 HydrophobicContact CB-CB 4.4Å; I10-F78 HydrophobicContact CG1-CB 4.13Å; A23-F78 HydrophobicContact CB-CE1 4.35Å; V24-F78 HydrophobicContact CG2-CD2 4.08Å; V24-F78 HydrophobicContact CG2-CE2 4.01Å; V24-F78 HydrophobicContact CG2-CZ 4.41Å; A27-F78 HydrophobicContact CB-CE2 3.86Å; A27-F78 HydrophobicContact CB-CZ 3.57Å; I76-F78 HydrophobicContact CD1-CD1 3.96Å; I76-F78 HydrophobicContact CD1-CE1 4.38Å; I76-F78 HydrophobicContact CG1-CD1 3.87Å; I76-F78 HydrophobicContact CG2-CD1 4.23Å; I76-F78 HydrophobicContact CG2-CE1 4.16Å; F78-L80 HydrophobicContact CD2-CB 4.31Å; F78-L80 HydrophobicContact CE2-CB 4.17Å; F78-I85 HydrophobicContact CD1-CB 4.26Å; F78-I85 HydrophobicContact CD1-CG2 4.45Å; F78-I85 HydrophobicContact CE1-CB 3.93Å; F78-I85 HydrophobicContact CE1-CG2 3.73Å; F78-I85 HydrophobicContact CE2-CB 4.25Å; F78-I85 HydrophobicContact CE2-CD1 3.77Å; F78-I85 HydrophobicContact CE2-CG1 4.46Å; F78-I85 HydrophobicContact CZ-CB 3.93Å; F78-I85 HydrophobicContact CZ-CD1 3.83Å; F78-I85 HydrophobicContact CZ-CG1 4.45Å; F78-I85 HydrophobicContact CZ-CG2 3.84Å; F78-I85 PolarHBondContact N-O 2.59Å; F78-I85 PolarHBondContact O-N 3.34Å
79	R	97	Very high	96.8	Very high	104 Å²	104	45.7 Å²	45.7	39%	0.392	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.7	172	-157.8	-179.4	-47.4	128.2	22.6	109.5	A8 V9 D11 M83	A8-R79 CarbonylContact C-O 3.52Å; A8-R79 VanDerWaalsContact CA-O 3.26Å; A8-R79 WeakPolarHBondContact CA-O 3.35Å; V9-R79 PolarHBondContact N-O 3.47Å; V9-R79 PolarHBondContact O-N 3Å; D11-R79 IonicContact OD1-NH2 2.76Å; D11-R79 PolarHBondContact OD1-NH2 3.27Å; D11-R79 IonicContact OD2-NH2 3.37Å; R79-M83 WeakPolarHBondContact CA-O 3.26Å; R79-M83 WeakPolarHBondContact CG-O 3.41Å
80	L	95.8	Very high	96.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.5	170.5	-179.9	60.7	0	0	0	108.4	A8 A27 A28 M31 F78 S82 M83 I85	A8-L80 HydrophobicContact CB-CD1 4.15Å; A27-L80 HydrophobicContact CB-CD2 4.04Å; A28-L80 HydrophobicContact CB-CD2 3.88Å; M31-L80 HydrophobicContact CE-CB 4.32Å; M31-L80 HydrophobicContact CE-CD2 4.43Å; M31-L80 HydrophobicContact CE-CG 4.45Å; M31-L80 HydrophobicContact SD-CB 4.34Å; M31-L80 HydrophobicContact SD-CD2 3.67Å; M31-L80 HydrophobicContact SD-CG 3.83Å; F78-L80 HydrophobicContact CD2-CB 4.31Å; F78-L80 HydrophobicContact CE2-CB 4.17Å; L80-S82 PolarHBondContact O-N 3.36Å; L80-M83 PolarHBondContact N-O 3.34Å; L80-M83 PolarHBondContact O-N 3.08Å; L80-M83 VanDerWaalsContact O-N 3.09Å; L80-I85 HydrophobicContact CB-CD1 4.28Å
81	N	90.3	Very high	96.4	Very high	72 Å²	72	43.1 Å²	43.1	39%	0.385	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-121.3	-168.9	-62.9	-52.8	0	0	0	111.2	R7	R7-N81 WeakPolarHBondContact CD-OD1 3.17Å
82	S	90.7	Very high	96.3	Very high	79 Å²	79	42.4 Å²	42.4	55%	0.552	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	13.2	178.5	64.8	0	0	0	0	113.4	L80	L80-S82 PolarHBondContact O-N 3.36Å
83	M	95.5	Very high	96.3	Very high	15 Å²	15	31.6 Å²	31.6	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.7	-173.9	-57.9	-59.2	-69.7	0	0	110.1	M31 D37 V60 K62 R79 L80	M31-M83 HydrophobicContact CE-CB 3.5Å; M31-M83 VanDerWaalsContact CE-CB 3.5Å; M31-M83 HydrophobicContact CE-CG 3.71Å; D37-M83 VanDerWaalsContact CG-CE 3.44Å; D37-M83 WeakPolarHBondContact OD1-CE 3.38Å; D37-M83 WeakPolarHBondContact OD2-CE 3.45Å; V60-M83 HydrophobicContact CG1-CE 3.76Å; K62-M83 HydrophobicContact CD-SD 4.39Å; K62-M83 HydrophobicContact CG-CE 4.21Å; K62-M83 HydrophobicContact CG-SD 3.44Å; K62-M83 WeakPolarHBondContact CG-SD 3.12Å; R79-M83 WeakPolarHBondContact CA-O 3.26Å; R79-M83 WeakPolarHBondContact CG-O 3.41Å; L80-M83 PolarHBondContact N-O 3.34Å; L80-M83 PolarHBondContact O-N 3.08Å; L80-M83 VanDerWaalsContact O-N 3.09Å
84	N	97.6	Very high	96.3	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.193	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.9	167.2	-61.3	-66	0	0	0	108.5	V60 G61 K62 F64	V60-N84 WeakPolarHBondContact CA-O 3.5Å; G61-N84 PolarHBondContact N-O 3.39Å; G61-N84 VanDerWaalsContact N-O 3.07Å; G61-N84 WeakPolarHBondContact O-CB 3.43Å; G61-N84 PolarHBondContact O-N 3.47Å; K62-N84 PolarHBondContact O-ND2 3.22Å; F64-N84 HydrophobicContact CD1-CB 4.31Å; F64-N84 HydrophobicContact CE1-CB 3.42Å; F64-N84 VanDerWaalsContact CE1-CB 3.42Å; F64-N84 WeakPolarHBondContact CE1-O 3.44Å; F64-N84 HydrophobicContact CZ-CB 3.68Å
85	I	98.4	Very high	96.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.5	179.3	-57.1	179.2	0	0	0	107.4	A27 M31 I44 I59 V60 S77 F78 L80	A27-I85 HydrophobicContact CB-CD1 3.48Å; A27-I85 VanDerWaalsContact CB-CD1 3.48Å; M31-I85 HydrophobicContact CE-CD1 3.89Å; I44-I85 HydrophobicContact CD1-CD1 4.28Å; I44-I85 HydrophobicContact CD1-CG2 4.15Å; I59-I85 WeakPolarHBondContact O-CA 3.33Å; V60-I85 HydrophobicContact CG2-CG1 4.27Å; V60-I85 HydrophobicContact CG2-CG2 4.4Å; S77-I85 WeakPolarHBondContact CA-O 3.4Å; F78-I85 HydrophobicContact CD1-CB 4.26Å; F78-I85 HydrophobicContact CD1-CG2 4.45Å; F78-I85 HydrophobicContact CE1-CB 3.93Å; F78-I85 HydrophobicContact CE1-CG2 3.73Å; F78-I85 HydrophobicContact CE2-CB 4.25Å; F78-I85 HydrophobicContact CE2-CD1 3.77Å; F78-I85 HydrophobicContact CE2-CG1 4.46Å; F78-I85 HydrophobicContact CZ-CB 3.93Å; F78-I85 HydrophobicContact CZ-CD1 3.83Å; F78-I85 HydrophobicContact CZ-CG1 4.45Å; F78-I85 HydrophobicContact CZ-CG2 3.84Å; F78-I85 PolarHBondContact N-O 2.59Å; F78-I85 PolarHBondContact O-N 3.34Å; L80-I85 HydrophobicContact CB-CD1 4.28Å
86	L	98.5	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.4	173	179.8	69.8	0	0	0	107.8	C58 I59 F64 I68 F75 F88	C58-L86 CarbonylContact C-O 3.52Å; C58-L86 VanDerWaalsContact CA-O 3.3Å; C58-L86 WeakPolarHBondContact CA-O 3.29Å; I59-L86 HydrophobicContact CB-CB 4.27Å; I59-L86 HydrophobicContact CD1-CD2 4.17Å; I59-L86 PolarHBondContact N-O 2.86Å; I59-L86 PolarHBondContact O-N 2.76Å; F64-L86 HydrophobicContact CE2-CB 3.97Å; F64-L86 HydrophobicContact CE2-CD2 4.39Å; F64-L86 HydrophobicContact CZ-CB 3.95Å; I68-L86 HydrophobicContact CD1-CD1 4.45Å; I68-L86 HydrophobicContact CD1-CD2 3.87Å; I68-L86 HydrophobicContact CD1-CG 4.33Å; I68-L86 HydrophobicContact CG1-CD2 4.47Å; F75-L86 HydrophobicContact CD2-CD1 4.24Å; F75-L86 HydrophobicContact CE2-CD1 3.45Å; F75-L86 VanDerWaalsContact CE2-CD1 3.45Å; F75-L86 HydrophobicContact CZ-CD1 3.68Å; L86-F88 HydrophobicContact CD2-CD1 4.36Å; L86-F88 HydrophobicContact CD2-CE1 4.42Å; L86-F88 HydrophobicContact CG-CD1 4.12Å
87	L	98.8	Very high	95.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.8	-179.6	173.3	65.2	0	0	0	108.1	A23 I44 F48 W56 N57 C58 I76	A23-L87 HydrophobicContact CB-CD2 4.06Å; I44-L87 HydrophobicContact CG2-CD1 3.93Å; I44-L87 HydrophobicContact CG2-CD2 3.79Å; I44-L87 HydrophobicContact CG2-CG 4.36Å; F48-L87 HydrophobicContact CB-CD1 4.49Å; F48-L87 HydrophobicContact CD1-CD2 3.65Å; F48-L87 HydrophobicContact CD1-CG 4.35Å; F48-L87 HydrophobicContact CD2-CD2 3.79Å; F48-L87 HydrophobicContact CE1-CD2 3.56Å; F48-L87 HydrophobicContact CE2-CD2 3.73Å; F48-L87 HydrophobicContact CG-CD1 4.34Å; F48-L87 HydrophobicContact CG-CD2 3.77Å; F48-L87 HydrophobicContact CZ-CD2 3.63Å; W56-L87 HydrophobicContact CB-CD1 4.48Å; W56-L87 HydrophobicContact CD2-CD1 4.49Å; W56-L87 HydrophobicContact CE3-CD1 3.69Å; W56-L87 HydrophobicContact CE3-CD2 4.49Å; W56-L87 HydrophobicContact CE3-CG 3.79Å; W56-L87 HydrophobicContact CZ3-CD1 4.41Å; W56-L87 HydrophobicContact CZ3-CG 4.01Å; N57-L87 WeakPolarHBondContact O-CA 3.23Å; N57-L87 WeakPolarHBondContact O-CD1 3.42Å; C58-L87 HydrophobicContact CB-CD1 4.12Å; I76-L87 HydrophobicContact CG2-CB 3.82Å; I76-L87 HydrophobicContact CG2-CD2 4.18Å; I76-L87 HydrophobicContact CG2-CG 4.34Å; I76-L87 PolarHBondContact N-O 2.92Å; I76-L87 PolarHBondContact O-N 2.93Å
88	F	98.6	Very high	95.7	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.2	-176.4	66.5	-81.1	0	0	0	113.2	N57 I68 H70 G74 F75 L86 L90	N57-F88 HydrophobicContact CB-CD1 4.09Å; N57-F88 HydrophobicContact CB-CD2 4.15Å; N57-F88 HydrophobicContact CB-CE1 3.62Å; N57-F88 HydrophobicContact CB-CE2 3.69Å; N57-F88 HydrophobicContact CB-CG 4.34Å; N57-F88 HydrophobicContact CB-CZ 3.41Å; N57-F88 VanDerWaalsContact CB-CZ 3.41Å; N57-F88 PolarHBondContact N-O 2.99Å; N57-F88 PolarHBondContact O-N 3Å; I68-F88 HydrophobicContact CD1-CB 3.86Å; I68-F88 HydrophobicContact CD1-CD1 3.35Å; I68-F88 HydrophobicContact CD1-CD2 3.62Å; I68-F88 HydrophobicContact CD1-CE1 3.66Å; I68-F88 HydrophobicContact CD1-CE2 3.91Å; I68-F88 HydrophobicContact CD1-CG 3.31Å; I68-F88 HydrophobicContact CD1-CZ 3.93Å; H70-F88 HydrophobicContact CB-CB 4.01Å; H70-F88 HydrophobicContact CB-CD2 4.26Å; G74-F88 CarbonylContact O-C 3.38Å; G74-F88 WeakPolarHBondContact O-CA 3.3Å; F75-F88 HydrophobicContact CD2-CB 4.05Å; L86-F88 HydrophobicContact CD2-CD1 4.36Å; L86-F88 HydrophobicContact CD2-CE1 4.42Å; L86-F88 HydrophobicContact CG-CD1 4.12Å; F88-L90 HydrophobicContact CD2-CB 4.23Å; F88-L90 HydrophobicContact CE2-CB 4.18Å; F88-L90 HydrophobicContact CE2-CD2 4.42Å
89	K	98.3	Very high	95.6	Very high	35 Å²	35	40.3 Å²	40.3	15%	0.152	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.8	172.4	-167.4	178.5	169.3	55	0	110.2	K53 A54 W56 H70 D71 G74 G91	K53-K89 PolarHBondContact O-NZ 3.43Å; A54-K89 PolarHBondContact O-NZ 2.93Å; W56-K89 HydrophobicContact CD2-CB 4.17Å; W56-K89 HydrophobicContact CE3-CB 4.15Å; W56-K89 HydrophobicContact CH2-CB 4.01Å; W56-K89 HydrophobicContact CZ2-CB 4.02Å; W56-K89 HydrophobicContact CZ2-CD 4.2Å; W56-K89 HydrophobicContact CZ2-CG 4.44Å; W56-K89 HydrophobicContact CZ3-CB 4.08Å; H70-K89 CarbonylContact C-O 3.6Å; H70-K89 VanDerWaalsContact CA-O 3.29Å; H70-K89 WeakPolarHBondContact CA-O 3.29Å; H70-K89 WeakPolarHBondContact CB-O 3.36Å; D71-K89 HydrophobicContact CB-CB 4.38Å; D71-K89 HydrophobicContact CB-CD 4.49Å; D71-K89 HydrophobicContact CB-CG 4.43Å; D71-K89 PolarHBondContact N-O 3.22Å; G74-K89 PolarHBondContact O-N 2.79Å; K89-G91 WeakPolarHBondContact CE-OXT 3.31Å; K89-G91 PolarHBondContact NZ-OXT 2.8Å
90	L	96.1	Very high	95.4	Very high	88 Å²	88	35 Å²	35	46%	0.461	22%	0.224	S	C	.	.			trans	-146.6	102.7	172.9	-178.2	65.3	0	0	0	108.8	T55 F88	T55-L90 PolarHBondContact O-N 2.94Å; F88-L90 HydrophobicContact CD2-CB 4.23Å; F88-L90 HydrophobicContact CE2-CB 4.18Å; F88-L90 HydrophobicContact CE2-CD2 4.42Å
91	G	86.7	Confident	95.4	Very high	76 Å²	76	38.1 Å²	38.1	78%	0.784	24%	0.244	S	C	*	.			trans	105.6	0	-177.8	0	0	0	0	0	113.7	T55 D71 K89	T55-G91 PolarHBondContact N-OXT 3.28Å; D71-G91 PolarHBondContact OD2-N 3.45Å; K89-G91 WeakPolarHBondContact CE-OXT 3.31Å; K89-G91 PolarHBondContact NZ-OXT 2.8Å

Retrieved 91 of 91 residues in 31.2 ms (Link to these results)

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