G4LV42_SCHMA Loading...

Large ribosomal subunit protein eL22

AlphaFold DB , UniProt , Accession G4LV42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 131 aa.

						>G4LV42_SCHMA|G4LV42
MVAKSVPKPKTHKPASKKKQVLKFSICISPGVMDEDIVSPSLLEKYLKEHIKVNKKLNNLGKDVHVERDKSTIHVTANIPFSKRYLKYLTKKFLKRHKLRDFLRVVAKSKDSYEFRFFNFENEDTDDEEEN
					

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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	56.4	Low	62.1	Low	246 Å²	246	153.5 Å²	153.5	100%	1.212	85%	0.854	S	S	*	*				0	107.3	0	-72	173.9	170.9	0	0	108
2	V	55.5	Low	61.9	Low	142 Å²	142	155.8 Å²	155.8	86%	0.861	85%	0.853	S	S	*	*			trans	-96.3	108.4	-175.1	177.4	0	0	0	0	108.8	K4	V2-K4 PolarHBondContact O-N 3.35Å
3	A	59	Low	61.6	Low	101 Å²	101	158.4 Å²	158.4	84%	0.835	85%	0.85	S	S	*	*			trans	-74.9	111.5	177.1	0	0	0	0	0	110.2
4	K	62.1	Low	61.1	Low	198 Å²	198	155.9 Å²	155.9	86%	0.861	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77.1	122.4	170.4	-75.9	178.7	174.3	178.4	0	109.3	V2	V2-K4 PolarHBondContact O-N 3.35Å
5	S	66.4	Low	60.9	Low	118 Å²	118	151.9 Å²	151.9	83%	0.825	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-76.1	132	175	49.6	0	0	0	0	111.4
6	V	71.8	Confident	60.8	Low	132 Å²	132	149.4 Å²	149.4	80%	0.8	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-87.8	128.2	174.9	178.6	0	0	0	0	109.1
7	P	67.8	Low	61	Low	119 Å²	119	152.5 Å²	152.5	77%	0.773	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-76.3	126.9	177.7	29.5	-30.5	0	0	0	110.9
8	K	67.5	Low	61.2	Low	195 Å²	195	155.2 Å²	155.2	85%	0.848	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-66.1	146.2	176	-75	178.2	177.6	177.2	0	111.7
9	P	61.2	Low	61.5	Low	118 Å²	118	156.1 Å²	156.1	77%	0.766	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-67.8	134	179.8	27.6	-32.9	0	0	0	111.4	T11	P9-T11 PolarHBondContact O-N 3.2Å; P9-T11 VanDerWaalsContact O-N 3.16Å
10	K	59.9	Low	62.5	Low	193 Å²	193	155.7 Å²	155.7	84%	0.839	83%	0.831	S	S	*	*			trans	-69.2	106.3	175.2	-67	178.1	-179.2	175.9	0	109.2	H12	K10-H12 PolarHBondContact O-N 3.16Å
11	T	55.7	Low	63.8	Low	126 Å²	126	151.8 Å²	151.8	77%	0.773	81%	0.813	S	S	*	*			trans	-67.4	109.4	170	48.4	0	0	0	0	109.7	P9 K13	P9-T11 PolarHBondContact O-N 3.2Å; P9-T11 VanDerWaalsContact O-N 3.16Å; T11-K13 PolarHBondContact O-N 3.24Å; T11-K13 VanDerWaalsContact O-N 3.09Å
12	H	59.7	Low	65.6	Low	182 Å²	182	142 Å²	142	84%	0.843	77%	0.766	S	S	*	*			trans	-67.2	102.1	167.3	-74.6	-83.7	0	0	0	109	K10	K10-H12 PolarHBondContact O-N 3.16Å
13	K	57.7	Low	67.5	Low	189 Å²	189	142.1 Å²	142.1	82%	0.822	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.8	166.4	-76.8	-179.8	177.3	176.6	0	108.3	T11 A15	T11-K13 PolarHBondContact O-N 3.24Å; T11-K13 VanDerWaalsContact O-N 3.09Å; K13-A15 PolarHBondContact O-N 3.09Å
14	P	55.3	Low	69.3	Low	124 Å²	124	138.2 Å²	138.2	81%	0.805	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-61.1	126.5	175.7	24.9	-31.7	0	0	0	108.7	S16	P14-S16 PolarHBondContact O-N 3.22Å; P14-S16 VanDerWaalsContact O-N 3.1Å
15	A	57.6	Low	70.9	Confident	96 Å²	96	130.1 Å²	130.1	79%	0.793	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-52	119.3	174.7	0	0	0	0	0	108.8	K13 K17	K13-A15 PolarHBondContact O-N 3.09Å; A15-K17 PolarHBondContact O-N 3.12Å
16	S	60	Low	72.3	Confident	111 Å²	111	124.5 Å²	124.5	78%	0.776	65%	0.647	S	S	*	*			trans	-55.6	113	176.8	39.7	0	0	0	0	108.7	P14 K18	P14-S16 PolarHBondContact O-N 3.22Å; P14-S16 VanDerWaalsContact O-N 3.1Å; S16-K18 PolarHBondContact O-N 3.35Å
17	K	62.9	Low	73.3	Confident	202 Å²	202	119.2 Å²	119.2	88%	0.878	62%	0.616	S	S	*	*			trans	-52.6	113.1	173.9	-79.7	179.2	177.1	177	0	107.8	A15 K19	A15-K17 PolarHBondContact O-N 3.12Å; K17-K19 PolarHBondContact O-N 3.02Å; K17-K19 VanDerWaalsContact O-N 3.17Å
18	K	64.7	Low	74.4	Confident	201 Å²	201	113.8 Å²	113.8	87%	0.874	58%	0.581	S	S	*	*			trans	-52.1	123.8	173.8	-71.4	-178.1	178.7	179.1	0	107.5	S16 Q20	S16-K18 PolarHBondContact O-N 3.35Å; K18-Q20 PolarHBondContact O-N 3.1Å
19	K	68.2	Low	75.2	Confident	173 Å²	173	105.3 Å²	105.3	75%	0.752	55%	0.546	S	S	*	.			trans	-57.8	110.4	174.9	-74.4	-176.4	177.2	-176.4	0	107.7	K17 V21	K17-K19 PolarHBondContact O-N 3.02Å; K17-K19 VanDerWaalsContact O-N 3.17Å; K19-V21 PolarHBondContact O-N 3.04Å
20	Q	80.1	Confident	76	Confident	148 Å²	148	104.1 Å²	104.1	69%	0.692	54%	0.538	S	S	*	.			trans	-77.6	114.7	177.7	-173.8	174.7	4.6	0	0	108.2	K18 L22	K18-Q20 PolarHBondContact O-N 3.1Å; Q20-L22 HydrophobicContact CG-CD2 4.04Å; Q20-L22 PolarHBondContact O-N 3.21Å
21	V	90.8	Very high	76.8	Confident	74 Å²	74	96.5 Å²	96.5	45%	0.448	51%	0.514	S	S	.	.			trans	-77.6	117.9	172.6	-174.3	0	0	0	0	107.8	K19 T76 N78	K19-V21 PolarHBondContact O-N 3.04Å; V21-T76 HydrophobicContact CG1-CG2 3.44Å; V21-T76 VanDerWaalsContact CG1-CG2 3.44Å; V21-N78 WeakPolarHBondContact CG2-OD1 3.49Å
22	L	94.2	Very high	77.9	Confident	41 Å²	41	90.5 Å²	90.5	22%	0.215	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.6	177.2	-59.7	174	0	0	0	109.1	Q20 F24 T76 A77 F81	Q20-L22 HydrophobicContact CG-CD2 4.04Å; Q20-L22 PolarHBondContact O-N 3.21Å; L22-F24 HydrophobicContact CB-CE2 3.77Å; L22-F24 HydrophobicContact CB-CZ 4.07Å; L22-T76 CarbonylContact O-C 3.55Å; L22-T76 WeakPolarHBondContact O-CA 3.39Å; L22-A77 PolarHBondContact N-O 3.15Å; L22-A77 PolarHBondContact O-N 2.91Å; L22-F81 HydrophobicContact CD1-CB 4.46Å; L22-F81 WeakPolarHBondContact CD1-O 2.99Å
23	K	95.6	Very high	78.6	Confident	144 Å²	144	84 Å²	84	63%	0.626	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.3	179.3	-64.6	-176.9	178.6	-175.2	0	109.2	T76	K23-T76 HydrophobicContact CG-CG2 4.25Å
24	F	96.8	Very high	79.3	Confident	19 Å²	19	81.3 Å²	81.3	8%	0.083	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151	177	-58.6	-68.5	0	0	0	109.9	L22 V75 F81 K83 L86 D111	L22-F24 HydrophobicContact CB-CE2 3.77Å; L22-F24 HydrophobicContact CB-CZ 4.07Å; F24-V75 PolarHBondContact N-O 3.25Å; F24-V75 PolarHBondContact O-N 3.09Å; F24-F81 AromaticContact CD2-CD1 3.69Å; F24-F81 HydrophobicContact CD2-CD1 3.69Å; F24-F81 HydrophobicContact CD2-CE1 4.13Å; F24-F81 HydrophobicContact CE2-CB 4.41Å; F24-F81 AromaticContact CE2-CD1 3.62Å; F24-F81 HydrophobicContact CE2-CD1 3.62Å; F24-F81 HydrophobicContact CE2-CE1 4.46Å; F24-F81 HydrophobicContact CE2-CG 4.5Å; F24-K83 HydrophobicContact CD1-CB 3.69Å; F24-K83 HydrophobicContact CD1-CD 4.35Å; F24-K83 HydrophobicContact CD1-CG 4.13Å; F24-K83 HydrophobicContact CE1-CB 3.64Å; F24-K83 HydrophobicContact CG-CB 4.43Å; F24-K83 HydrophobicContact CZ-CB 4.32Å; F24-L86 HydrophobicContact CB-CD1 3.49Å; F24-L86 VanDerWaalsContact CB-CD1 3.49Å; F24-L86 HydrophobicContact CD2-CD1 4.41Å; F24-L86 HydrophobicContact CG-CD1 4.1Å; F24-D111 VanDerWaalsContact CA-O 3.29Å; F24-D111 WeakPolarHBondContact CA-O 3.09Å; F24-D111 HydrophobicContact CD1-CB 4.23Å
25	S	96.1	Very high	80.4	Confident	27 Å²	27	81.3 Å²	81.3	19%	0.189	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.8	174.8	58.3	0	0	0	0	112.5	I73 D111 S112 Y113	S25-I73 CarbonylContact C-O 3.58Å; S25-I73 VanDerWaalsContact CA-O 3.29Å; S25-I73 WeakPolarHBondContact CA-O 3.23Å; S25-D111 PolarHBondContact N-O 3.01Å; S25-D111 VanDerWaalsContact N-O 3.08Å; S25-S112 CarbonylContact O-C 3.55Å; S25-S112 VanDerWaalsContact O-CA 3.28Å; S25-S112 WeakPolarHBondContact O-CA 3.28Å; S25-S112 WeakPolarHBondContact OG-CB 3.3Å; S25-Y113 PolarHBondContact O-N 3.48Å
26	I	95.6	Very high	81.4	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.7	170.7	-58.1	158.1	0	0	0	106.3	L43 L47 T72 I73 L86 T90 Y113 F115	I26-L43 HydrophobicContact CG2-CD2 4.33Å; I26-L47 HydrophobicContact CD1-CD1 3.79Å; I26-T72 CarbonylContact O-C 3.53Å; I26-T72 WeakPolarHBondContact O-CA 3.26Å; I26-I73 PolarHBondContact N-O 3.38Å; I26-I73 PolarHBondContact O-N 3.03Å; I26-L86 HydrophobicContact CD1-CB 4.22Å; I26-L86 HydrophobicContact CD1-CD1 4.33Å; I26-L86 HydrophobicContact CD1-CD2 4.37Å; I26-L86 HydrophobicContact CG1-CD1 4.48Å; I26-T90 HydrophobicContact CD1-CG2 3.66Å; I26-T90 HydrophobicContact CG1-CG2 4.36Å; I26-T90 HydrophobicContact CG2-CG2 4.22Å; I26-Y113 WeakPolarHBondContact CA-O 3.49Å; I26-F115 HydrophobicContact CG2-CE1 4.01Å; I26-F115 HydrophobicContact CG2-CZ 4.08Å
27	C	92.8	Very high	82.4	Confident	22 Å²	22	80.8 Å²	80.8	15%	0.149	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.1	175.6	-63.5	0	0	0	0	109.8	T72 Y113 E114 F115	C27-T72 HydrophobicContact CB-CG2 4.11Å; C27-T72 WeakPolarHBondContact SG-CG2 3.26Å; C27-Y113 PolarHBondContact N-O 3.02Å; C27-E114 HydrophobicContact CB-CG 4.5Å; C27-E114 CarbonylContact O-C 3.58Å; C27-E114 VanDerWaalsContact O-CA 3.24Å; C27-E114 WeakPolarHBondContact O-CA 3.46Å; C27-F115 PolarHBondContact O-N 3.25Å
28	I	90.1	Very high	83.4	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-87.1	126.8	163.1	-54.7	173.7	0	0	0	105.7	V32 M33 V38 P40 S71 F115	I28-V32 HydrophobicContact CG2-CB 3.74Å; I28-V32 HydrophobicContact CG2-CG1 3.7Å; I28-M33 HydrophobicContact CB-CG 3.87Å; I28-M33 HydrophobicContact CB-SD 4.38Å; I28-M33 HydrophobicContact CG2-CG 3.47Å; I28-M33 VanDerWaalsContact CG2-CG 3.47Å; I28-V38 HydrophobicContact CD1-CG1 4.04Å; I28-P40 HydrophobicContact CD1-CB 3.92Å; I28-S71 PolarHBondContact N-O 3.07Å; I28-F115 HydrophobicContact CG1-CD2 4.1Å; I28-F115 HydrophobicContact CG1-CE2 4.25Å; I28-F115 HydrophobicContact CG2-CD2 4.43Å
29	S	83.9	Confident	84.5	Confident	17 Å²	17	64.7 Å²	64.7	12%	0.119	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.9	178.3	60.2	0	0	0	0	110.1	G31 V32 M33 F115	S29-G31 VanDerWaalsContact C-N 3.31Å; S29-G31 PolarHBondContact O-N 3.18Å; S29-V32 PolarHBondContact O-N 3.48Å; S29-V32 VanDerWaalsContact OG-CG2 3.22Å; S29-V32 WeakPolarHBondContact OG-CG2 3.49Å; S29-M33 PolarHBondContact O-N 3.24Å; S29-F115 WeakPolarHBondContact CB-O 3.39Å; S29-F115 PolarHBondContact OG-O 3.04Å
30	P	77.9	Confident	85.5	Confident	94 Å²	94	57.7 Å²	57.7	61%	0.61	32%	0.317	S	S	*	.	H	α-helix	trans	-50.9	-47.9	-178	-28.8	35.3	0	0	0	113.1	V32 M33 D34	P30-V32 PolarHBondContact O-N 2.88Å; P30-V32 VanDerWaalsContact O-N 3.13Å; P30-M33 WeakPolarHBondContact O-CA 3.4Å; P30-M33 WeakPolarHBondContact O-CB 3.33Å; P30-M33 PolarHBondContact O-N 3.17Å; P30-D34 PolarHBondContact O-N 2.97Å; P30-D34 VanDerWaalsContact O-OD2 3.11Å
31	G	78.4	Confident	86.1	Confident	32 Å²	32	53.9 Å²	53.9	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-30.8	-180	0	0	0	0	0	114.7	S29 E35	S29-G31 VanDerWaalsContact C-N 3.31Å; S29-G31 PolarHBondContact O-N 3.18Å; G31-E35 PolarHBondContact O-N 3.04Å
32	V	77.2	Confident	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-76.5	-29.6	176.6	179.4	0	0	0	0	111.5	I28 S29 P30 I37 V38 L103 F117	I28-V32 HydrophobicContact CG2-CB 3.74Å; I28-V32 HydrophobicContact CG2-CG1 3.7Å; S29-V32 PolarHBondContact O-N 3.48Å; S29-V32 VanDerWaalsContact OG-CG2 3.22Å; S29-V32 WeakPolarHBondContact OG-CG2 3.49Å; P30-V32 PolarHBondContact O-N 2.88Å; P30-V32 VanDerWaalsContact O-N 3.13Å; V32-I37 HydrophobicContact CG1-CB 4.38Å; V32-I37 PolarHBondContact O-N 2.99Å; V32-V38 HydrophobicContact CG1-CB 4.16Å; V32-V38 HydrophobicContact CG1-CG2 3.91Å; V32-L103 HydrophobicContact CG1-CD1 3.81Å; V32-L103 HydrophobicContact CG1-CD2 4.2Å; V32-L103 HydrophobicContact CG2-CD2 3.44Å; V32-L103 VanDerWaalsContact CG2-CD2 3.44Å; V32-F117 HydrophobicContact CB-CE2 4.37Å; V32-F117 HydrophobicContact CB-CZ 4.36Å; V32-F117 HydrophobicContact CG2-CD2 3.97Å; V32-F117 HydrophobicContact CG2-CE1 4.25Å; V32-F117 HydrophobicContact CG2-CE2 3.45Å; V32-F117 VanDerWaalsContact CG2-CE2 3.45Å; V32-F117 HydrophobicContact CG2-CZ 3.62Å
33	M	74.2	Confident	86.1	Confident	45 Å²	45	52 Å²	52	22%	0.222	29%	0.294	C	S	.	.	H	α-helix	trans	-75.2	-40.5	175	-66.9	-153.6	77.4	0	0	112	I28 S29 P30 E35 D36 P40 K70 S71	I28-M33 HydrophobicContact CB-CG 3.87Å; I28-M33 HydrophobicContact CB-SD 4.38Å; I28-M33 HydrophobicContact CG2-CG 3.47Å; I28-M33 VanDerWaalsContact CG2-CG 3.47Å; S29-M33 PolarHBondContact O-N 3.24Å; P30-M33 WeakPolarHBondContact O-CA 3.4Å; P30-M33 WeakPolarHBondContact O-CB 3.33Å; P30-M33 PolarHBondContact O-N 3.17Å; M33-E35 PolarHBondContact O-N 3.25Å; M33-D36 PolarHBondContact O-N 3.48Å; M33-P40 HydrophobicContact CE-CG 4Å; M33-K70 VanDerWaalsContact CE-O 3.25Å; M33-K70 WeakPolarHBondContact CE-O 3.43Å; M33-S71 WeakPolarHBondContact SD-CA 3.39Å; M33-S71 WeakPolarHBondContact SD-CB 3.34Å
34	D	73.5	Confident	86.1	Confident	133 Å²	133	46.3 Å²	46.3	71%	0.711	27%	0.269	S	S	*	.	H	α-helix	trans	-65.4	-29.1	-176.9	-61.1	-33.3	0	0	0	111.8	P30 D36	P30-D34 PolarHBondContact O-N 2.97Å; P30-D34 VanDerWaalsContact O-OD2 3.11Å; D34-D36 VanDerWaalsContact C-N 3.34Å
35	E	77.9	Confident	86	Confident	125 Å²	125	51.3 Å²	51.3	58%	0.584	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	1.9	175.1	-65	178	-174.2	0	0	113.6	G31 M33 I37 F117	G31-E35 PolarHBondContact O-N 3.04Å; M33-E35 PolarHBondContact O-N 3.25Å; E35-I37 HydrophobicContact CB-CD1 3.79Å; E35-I37 HydrophobicContact CB-CG1 3.73Å; E35-I37 PolarHBondContact O-N 2.77Å; E35-I37 WeakPolarHBondContact OE2-CD1 3.35Å; E35-F117 WeakPolarHBondContact OE2-CZ 3Å
36	D	78.5	Confident	86	Confident	138 Å²	138	50.5 Å²	50.5	74%	0.738	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	21.4	-178.2	-86.7	-30	0	0	0	115	M33 D34 V38	M33-D36 PolarHBondContact O-N 3.48Å; D34-D36 VanDerWaalsContact C-N 3.34Å; D36-V38 VanDerWaalsContact C-N 3.33Å; D36-V38 PolarHBondContact O-N 2.99Å
37	I	80.4	Confident	86	Confident	57 Å²	57	50.5 Å²	50.5	29%	0.292	28%	0.284	S	S	.	.			trans	-64.9	-38.1	-176.6	-65.5	174.8	0	0	0	111.5	V32 E35 L99 L103 F117	V32-I37 HydrophobicContact CG1-CB 4.38Å; V32-I37 PolarHBondContact O-N 2.99Å; E35-I37 HydrophobicContact CB-CD1 3.79Å; E35-I37 HydrophobicContact CB-CG1 3.73Å; E35-I37 PolarHBondContact O-N 2.77Å; E35-I37 WeakPolarHBondContact OE2-CD1 3.35Å; I37-L99 HydrophobicContact CG2-CD1 3.92Å; I37-L99 HydrophobicContact CG2-CD2 3.46Å; I37-L99 VanDerWaalsContact CG2-CD2 3.46Å; I37-L99 HydrophobicContact CG2-CG 4.29Å; I37-L103 HydrophobicContact CG2-CD1 4.28Å; I37-F117 HydrophobicContact CD1-CE1 4Å; I37-F117 HydrophobicContact CD1-CZ 4.02Å
38	V	84.6	Confident	86.1	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	29%	0.293	C	S	.	.	S	Bend	trans	-126.1	109.5	-178.5	-177.7	0	0	0	0	110.7	I28 V32 D36 P40 F93 L94 L99 L103 F115	I28-V38 HydrophobicContact CD1-CG1 4.04Å; V32-V38 HydrophobicContact CG1-CB 4.16Å; V32-V38 HydrophobicContact CG1-CG2 3.91Å; D36-V38 VanDerWaalsContact C-N 3.33Å; D36-V38 PolarHBondContact O-N 2.99Å; V38-P40 WeakPolarHBondContact O-CD 3.46Å; V38-F93 HydrophobicContact CG1-CE1 4.02Å; V38-L94 HydrophobicContact CG2-CD2 4.47Å; V38-L99 HydrophobicContact CG2-CD1 3.62Å; V38-L103 HydrophobicContact CG2-CD1 3.7Å; V38-F115 HydrophobicContact CG1-CE2 4.19Å
39	S	87.6	Confident	86.4	Confident	63 Å²	63	56.9 Å²	56.9	44%	0.441	31%	0.31	S	S	.	.			trans	-74.6	120.3	172.6	-41.7	0	0	0	0	110.9	S41 L42 L43	S39-S41 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 2.81Å; S39-L42 VanDerWaalsContact O-N 3.08Å; S39-L43 PolarHBondContact O-N 3.13Å
40	P	90.4	Very high	86.9	Confident	26 Å²	26	58.3 Å²	58.3	17%	0.169	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-32.4	179.6	21.9	-32.6	0	0	0	112.4	I28 M33 V38 L42 L43 E44	I28-P40 HydrophobicContact CD1-CB 3.92Å; M33-P40 HydrophobicContact CE-CG 4Å; V38-P40 WeakPolarHBondContact O-CD 3.46Å; P40-L42 PolarHBondContact O-N 3.37Å; P40-L43 PolarHBondContact O-N 2.9Å; P40-E44 WeakPolarHBondContact O-CB 3.5Å; P40-E44 PolarHBondContact O-N 2.81Å
41	S	92	Very high	87.8	Confident	68 Å²	68	53.8 Å²	53.8	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-38.9	176.2	-178	0	0	0	0	112.8	S39 E44 K45	S39-S41 PolarHBondContact O-N 2.95Å; S41-E44 PolarHBondContact O-N 3.28Å; S41-K45 PolarHBondContact O-N 3.4Å
42	L	92.3	Very high	88.6	Confident	75 Å²	75	57.6 Å²	57.6	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-69.6	-39.7	178.6	-173.9	63.9	0	0	0	110.9	S39 P40 K45 Y46 F93	S39-L42 PolarHBondContact O-N 2.81Å; S39-L42 VanDerWaalsContact O-N 3.08Å; P40-L42 PolarHBondContact O-N 3.37Å; L42-K45 PolarHBondContact O-N 3.42Å; L42-Y46 VanDerWaalsContact O-CB 3.3Å; L42-Y46 WeakPolarHBondContact O-CB 3.43Å; L42-Y46 PolarHBondContact O-N 3.34Å; L42-F93 HydrophobicContact CB-CZ 4.37Å; L42-F93 HydrophobicContact CD2-CE2 4.02Å; L42-F93 HydrophobicContact CD2-CZ 3.9Å; L42-F93 HydrophobicContact CG-CE2 3.85Å; L42-F93 HydrophobicContact CG-CZ 3.97Å
43	L	93	Very high	89.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-39.9	175.5	-178.3	61.7	0	0	0	111.8	I26 S39 P40 Y46 L47 I73 T90 F93 F115	I26-L43 HydrophobicContact CG2-CD2 4.33Å; S39-L43 PolarHBondContact O-N 3.13Å; P40-L43 PolarHBondContact O-N 2.9Å; L43-Y46 PolarHBondContact O-N 3.26Å; L43-L47 HydrophobicContact CD1-CG 4.43Å; L43-L47 HydrophobicContact CG-CD1 4.31Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.47Å; L43-I73 HydrophobicContact CB-CD1 3.68Å; L43-I73 HydrophobicContact CD2-CD1 3.5Å; L43-I73 HydrophobicContact CG-CD1 3.42Å; L43-I73 VanDerWaalsContact CG-CD1 3.42Å; L43-T90 HydrophobicContact CD1-CG2 4.34Å; L43-F93 HydrophobicContact CB-CE1 4.36Å; L43-F93 HydrophobicContact CB-CZ 4.38Å; L43-F93 HydrophobicContact CD1-CB 4.28Å; L43-F93 HydrophobicContact CD1-CD1 3.73Å; L43-F93 HydrophobicContact CD1-CD2 4.38Å; L43-F93 HydrophobicContact CD1-CE1 4.12Å; L43-F93 HydrophobicContact CD1-CG 3.86Å; L43-F115 HydrophobicContact CD2-CE2 3.88Å; L43-F115 HydrophobicContact CD2-CZ 3.82Å
44	E	94.4	Very high	90.3	Very high	24 Å²	24	61.2 Å²	61.2	11%	0.112	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-50.3	174.1	-172.9	-157.1	160.3	0	0	111.3	P40 S41 Y46 L47 K48 V66 R68 I73	P40-E44 WeakPolarHBondContact O-CB 3.5Å; P40-E44 PolarHBondContact O-N 2.81Å; S41-E44 PolarHBondContact O-N 3.28Å; E44-Y46 VanDerWaalsContact C-N 3.33Å; E44-Y46 PolarHBondContact O-N 2.88Å; E44-L47 PolarHBondContact O-N 2.82Å; E44-K48 HydrophobicContact CG-CD 4.49Å; E44-K48 PolarHBondContact O-N 3.08Å; E44-K48 WeakPolarHBondContact OE1-CE 3.12Å; E44-K48 IonicContact OE1-NZ 3.9Å; E44-K48 PolarHBondContact OE1-NZ 2.99Å; E44-V66 HydrophobicContact CG-CG1 4.02Å; E44-R68 HydrophobicContact CG-CB 4.39Å; E44-R68 WeakPolarHBondContact OE2-CD 3.39Å; E44-R68 WeakPolarHBondContact OE2-CG 3.5Å; E44-R68 IonicContact OE2-NE 3.08Å; E44-R68 PolarHBondContact OE2-NE 3.37Å; E44-I73 HydrophobicContact CB-CD1 4.37Å
45	K	94.8	Very high	91.2	Very high	124 Å²	124	64 Å²	64	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-45.8	177.4	-176.2	176.8	177.4	178.9	0	111.3	S41 L42 L47 K48 E49	S41-K45 PolarHBondContact O-N 3.4Å; L42-K45 PolarHBondContact O-N 3.42Å; K45-L47 VanDerWaalsContact C-N 3.33Å; K45-L47 PolarHBondContact O-N 3.35Å; K45-K48 PolarHBondContact O-N 3.06Å; K45-E49 WeakPolarHBondContact CE-OE1 3.35Å; K45-E49 WeakPolarHBondContact O-CG 3.24Å; K45-E49 PolarHBondContact O-N 3.05Å
46	Y	95.7	Very high	92	Very high	11 Å²	11	65.1 Å²	65.1	4%	0.043	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-45.1	177.1	-179.5	-89.8	0	0	0	112	L42 L43 E44 E49 H50 L89 K92 F93	L42-Y46 VanDerWaalsContact O-CB 3.3Å; L42-Y46 WeakPolarHBondContact O-CB 3.43Å; L42-Y46 PolarHBondContact O-N 3.34Å; L43-Y46 PolarHBondContact O-N 3.26Å; E44-Y46 VanDerWaalsContact C-N 3.33Å; E44-Y46 PolarHBondContact O-N 2.88Å; Y46-E49 PolarHBondContact O-N 3.44Å; Y46-H50 AromaticContact CD2-CD2 3.32Å; Y46-H50 WeakPolarHBondContact CD2-CD2 3.39Å; Y46-H50 AromaticContact CD2-NE2 3.74Å; Y46-H50 HydrophobicContact CE1-CB 4.26Å; Y46-H50 AromaticContact CE1-CD2 3.92Å; Y46-H50 AromaticContact CE2-CD2 3.15Å; Y46-H50 WeakPolarHBondContact CE2-CD2 3.15Å; Y46-H50 AromaticContact CE2-NE2 3.39Å; Y46-H50 WeakPolarHBondContact CE2-NE2 3.32Å; Y46-H50 AromaticContact CG-CD2 3.8Å; Y46-H50 AromaticContact CZ-CD2 3.46Å; Y46-H50 VanDerWaalsContact CZ-CD2 3.46Å; Y46-H50 VanDerWaalsContact O-CB 3.32Å; Y46-H50 WeakPolarHBondContact O-CB 3.46Å; Y46-H50 PolarHBondContact O-CD2 2.97Å; Y46-H50 VanDerWaalsContact O-CD2 3.28Å; Y46-H50 PolarHBondContact O-N 3.16Å; Y46-L89 HydrophobicContact CE1-CB 4.29Å; Y46-L89 VanDerWaalsContact CE1-O 3.29Å; Y46-L89 WeakPolarHBondContact CE1-O 3.49Å; Y46-K92 WeakPolarHBondContact OH-CB 3.01Å; Y46-K92 WeakPolarHBondContact OH-CD 3.22Å; Y46-K92 VanDerWaalsContact OH-CG 3.24Å; Y46-K92 WeakPolarHBondContact OH-CG 3.48Å; Y46-F93 HydrophobicContact CD1-CB 3.85Å; Y46-F93 AromaticContact CD1-CD2 3.97Å; Y46-F93 HydrophobicContact CD1-CD2 3.97Å; Y46-F93 HydrophobicContact CD1-CG 4.27Å; Y46-F93 HydrophobicContact CD2-CB 4.45Å; Y46-F93 AromaticContact CD2-CD2 3.62Å; Y46-F93 HydrophobicContact CD2-CD2 3.62Å; Y46-F93 HydrophobicContact CD2-CE2 4.42Å; Y46-F93 HydrophobicContact CE1-CB 3.73Å; Y46-F93 HydrophobicContact CE2-CB 4.32Å; Y46-F93 HydrophobicContact CE2-CD2 4.17Å; Y46-F93 HydrophobicContact CG-CB 4.22Å; Y46-F93 AromaticContact CG-CD2 3.5Å; Y46-F93 HydrophobicContact CG-CD2 3.5Å; Y46-F93 HydrophobicContact CG-CE2 4.29Å; Y46-F93 HydrophobicContact CG-CG 4.24Å
47	L	96	Very high	92.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-41.9	178.4	-71.5	171.8	0	0	0	111.6	I26 L43 E44 K45 E49 H50 I51 V66 I73 L86 L89	I26-L47 HydrophobicContact CD1-CD1 3.79Å; L43-L47 HydrophobicContact CD1-CG 4.43Å; L43-L47 HydrophobicContact CG-CD1 4.31Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.47Å; E44-L47 PolarHBondContact O-N 2.82Å; K45-L47 VanDerWaalsContact C-N 3.33Å; K45-L47 PolarHBondContact O-N 3.35Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 2.99Å; L47-H50 PolarHBondContact O-N 2.97Å; L47-I51 HydrophobicContact CB-CD1 4.09Å; L47-I51 VanDerWaalsContact O-CB 3.3Å; L47-I51 WeakPolarHBondContact O-CB 3.32Å; L47-I51 WeakPolarHBondContact O-CD1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.23Å; L47-V66 HydrophobicContact CB-CG1 4.36Å; L47-I73 HydrophobicContact CD1-CD1 4.33Å; L47-I73 HydrophobicContact CD1-CG2 3.94Å; L47-L86 HydrophobicContact CD2-CD2 4.29Å; L47-L89 HydrophobicContact CD2-CB 3.85Å; L47-L89 HydrophobicContact CD2-CD1 3.92Å
48	K	95.2	Very high	93.2	Very high	79 Å²	79	66 Å²	66	34%	0.343	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-41.3	177	-75.9	176.2	171.9	173.3	0	112.5	E44 K45 L60 V66	E44-K48 HydrophobicContact CG-CD 4.49Å; E44-K48 PolarHBondContact O-N 3.08Å; E44-K48 WeakPolarHBondContact OE1-CE 3.12Å; E44-K48 IonicContact OE1-NZ 3.9Å; E44-K48 PolarHBondContact OE1-NZ 2.99Å; K45-K48 PolarHBondContact O-N 3.06Å; K48-L60 HydrophobicContact CB-CD1 4.3Å; K48-L60 HydrophobicContact CG-CD1 4.32Å; K48-V66 VanDerWaalsContact CE-O 3.29Å; K48-V66 WeakPolarHBondContact CE-O 3.3Å; K48-V66 HydrophobicContact CG-CB 4.06Å; K48-V66 HydrophobicContact CG-CG1 4.5Å; K48-V66 HydrophobicContact CG-CG2 4.34Å
49	E	95.6	Very high	93.6	Very high	81 Å²	81	69 Å²	69	38%	0.379	34%	0.343	S	S	.	.	H	α-helix	trans	-76.4	-31.9	-179.7	-69.4	174.4	-174.6	0	0	113.2	K45 Y46 L47 L57	K45-E49 WeakPolarHBondContact CE-OE1 3.35Å; K45-E49 WeakPolarHBondContact O-CG 3.24Å; K45-E49 PolarHBondContact O-N 3.05Å; Y46-E49 PolarHBondContact O-N 3.44Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 2.99Å; E49-L57 WeakPolarHBondContact O-CD2 3.25Å
50	H	96.3	Very high	93.8	Very high	46 Å²	46	67.4 Å²	67.4	21%	0.213	33%	0.33	C	S	.	.	H	α-helix	trans	-105.6	-10	-170.2	-71.2	-65.1	0	0	0	115.9	Y46 L47 K52 Y85 L89	Y46-H50 AromaticContact CD2-CD2 3.32Å; Y46-H50 WeakPolarHBondContact CD2-CD2 3.39Å; Y46-H50 AromaticContact CD2-NE2 3.74Å; Y46-H50 HydrophobicContact CE1-CB 4.26Å; Y46-H50 AromaticContact CE1-CD2 3.92Å; Y46-H50 AromaticContact CE2-CD2 3.15Å; Y46-H50 WeakPolarHBondContact CE2-CD2 3.15Å; Y46-H50 AromaticContact CE2-NE2 3.39Å; Y46-H50 WeakPolarHBondContact CE2-NE2 3.32Å; Y46-H50 AromaticContact CG-CD2 3.8Å; Y46-H50 AromaticContact CZ-CD2 3.46Å; Y46-H50 VanDerWaalsContact CZ-CD2 3.46Å; Y46-H50 VanDerWaalsContact O-CB 3.32Å; Y46-H50 WeakPolarHBondContact O-CB 3.46Å; Y46-H50 PolarHBondContact O-CD2 2.97Å; Y46-H50 VanDerWaalsContact O-CD2 3.28Å; Y46-H50 PolarHBondContact O-N 3.16Å; L47-H50 PolarHBondContact O-N 2.97Å; H50-K52 PolarHBondContact O-N 2.85Å; H50-Y85 PolarHBondContact O-OH 3.44Å; H50-L89 HydrophobicContact CB-CD2 3.85Å
51	I	96.7	Very high	93.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.357	C	S	.	.			trans	-69.5	123.5	170.9	-73.3	167	0	0	0	109.4	L47 V53 L60 V64 V66 F81 Y85 L89	L47-I51 HydrophobicContact CB-CD1 4.09Å; L47-I51 VanDerWaalsContact O-CB 3.3Å; L47-I51 WeakPolarHBondContact O-CB 3.32Å; L47-I51 WeakPolarHBondContact O-CD1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.23Å; I51-V53 HydrophobicContact CG2-CG2 4.36Å; I51-L60 HydrophobicContact CB-CD2 3.81Å; I51-L60 HydrophobicContact CG2-CD2 3.48Å; I51-L60 VanDerWaalsContact CG2-CD2 3.48Å; I51-V64 HydrophobicContact CD1-CG1 4.32Å; I51-V64 HydrophobicContact CG2-CG1 4.29Å; I51-V66 HydrophobicContact CD1-CG2 3.81Å; I51-F81 HydrophobicContact CD1-CZ 4.44Å; I51-F81 HydrophobicContact CG2-CE2 4.02Å; I51-Y85 HydrophobicContact CG2-CE1 4.27Å; I51-L89 HydrophobicContact CB-CD1 4.49Å; I51-L89 HydrophobicContact CG1-CD1 3.52Å
52	K	95.4	Very high	93.6	Very high	111 Å²	111	75.4 Å²	75.4	48%	0.483	37%	0.373	S	S	.	.			trans	-94.8	132.1	174.3	-66.9	-176.4	-176.4	-171.5	0	110.4	H50 K56 L57 Y85	H50-K52 PolarHBondContact O-N 2.85Å; K52-K56 VanDerWaalsContact CA-O 3.23Å; K52-K56 WeakPolarHBondContact CA-O 3.44Å; K52-L57 HydrophobicContact CD-CD2 4.24Å; K52-L57 HydrophobicContact CG-CD2 3.43Å; K52-L57 VanDerWaalsContact CG-CD2 3.43Å; K52-L57 HydrophobicContact CG-CG 4.07Å; K52-Y85 PolarHBondContact N-OH 2.87Å
53	V	94.3	Very high	93.6	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.042	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-121	126	168.6	-179.8	0	0	0	0	107	I51 K55 K56 N59 L60 D63 V64 I79	I51-V53 HydrophobicContact CG2-CG2 4.36Å; V53-K55 VanDerWaalsContact C-N 3.3Å; V53-K55 PolarHBondContact O-N 3.15Å; V53-K56 PolarHBondContact N-O 3.38Å; V53-K56 PolarHBondContact O-N 3.37Å; V53-N59 HydrophobicContact CB-CB 4.44Å; V53-N59 VanDerWaalsContact CB-O 3.26Å; V53-N59 WeakPolarHBondContact CB-O 3.33Å; V53-N59 PolarHBondContact O-ND2 2.79Å; V53-L60 HydrophobicContact CG2-CD2 4.22Å; V53-D63 HydrophobicContact CG1-CB 4.24Å; V53-V64 HydrophobicContact CG2-CB 4.48Å; V53-V64 HydrophobicContact CG2-CG2 3.83Å; V53-I79 HydrophobicContact CG1-CD1 3.96Å
54	N	91.7	Very high	93.7	Very high	115 Å²	115	74.5 Å²	74.5	62%	0.615	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	44.3	-173.9	-58.5	-33.9	0	0	0	113.2	K56	N54-K56 PolarHBondContact O-N 3.08Å; N54-K56 VanDerWaalsContact O-N 3.12Å
55	K	91.8	Very high	93.7	Very high	192 Å²	192	78.2 Å²	78.2	84%	0.835	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	2.3	180	-53.9	179	179.9	178.8	0	115.8	V53	V53-K55 VanDerWaalsContact C-N 3.3Å; V53-K55 PolarHBondContact O-N 3.15Å
56	K	94.7	Very high	93.7	Very high	147 Å²	147	72.4 Å²	72.4	64%	0.639	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-108.3	142.8	178.2	-65	-175.8	179.6	-177.3	0	111.7	K52 V53 N54 N59	K52-K56 VanDerWaalsContact CA-O 3.23Å; K52-K56 WeakPolarHBondContact CA-O 3.44Å; V53-K56 PolarHBondContact N-O 3.38Å; V53-K56 PolarHBondContact O-N 3.37Å; N54-K56 PolarHBondContact O-N 3.08Å; N54-K56 VanDerWaalsContact O-N 3.12Å; K56-N59 HydrophobicContact CB-CB 4.17Å
57	L	94.3	Very high	93.7	Very high	83 Å²	83	76.4 Å²	76.4	44%	0.435	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	161.1	168.4	-61.6	169.6	0	0	0	109.5	E49 K52 N59	E49-L57 WeakPolarHBondContact O-CD2 3.25Å; K52-L57 HydrophobicContact CD-CD2 4.24Å; K52-L57 HydrophobicContact CG-CD2 3.43Å; K52-L57 VanDerWaalsContact CG-CD2 3.43Å; K52-L57 HydrophobicContact CG-CG 4.07Å; L57-N59 PolarHBondContact O-N 3.05Å; L57-N59 VanDerWaalsContact O-N 3.15Å
58	N	91.2	Very high	93.6	Very high	130 Å²	130	83.9 Å²	83.9	70%	0.695	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	25.7	178.6	-59.9	-20.3	0	0	0	115
59	N	92.6	Very high	93.4	Very high	66 Å²	66	84 Å²	84	35%	0.353	41%	0.413	S	S	.	.			trans	-115.1	36.3	-177.5	-168.8	45.3	0	0	0	111.8	V53 K56 L57	V53-N59 HydrophobicContact CB-CB 4.44Å; V53-N59 VanDerWaalsContact CB-O 3.26Å; V53-N59 WeakPolarHBondContact CB-O 3.33Å; V53-N59 PolarHBondContact O-ND2 2.79Å; K56-N59 HydrophobicContact CB-CB 4.17Å; L57-N59 PolarHBondContact O-N 3.05Å; L57-N59 VanDerWaalsContact O-N 3.15Å
60	L	90.8	Very high	92.9	Very high	31 Å²	31	88.6 Å²	88.6	16%	0.162	43%	0.432	C	S	.	.			trans	-68.1	-36.8	-174.7	-61.1	176.7	0	0	0	112.9	K48 I51 V53 K62 D63 V64	K48-L60 HydrophobicContact CB-CD1 4.3Å; K48-L60 HydrophobicContact CG-CD1 4.32Å; I51-L60 HydrophobicContact CB-CD2 3.81Å; I51-L60 HydrophobicContact CG2-CD2 3.48Å; I51-L60 VanDerWaalsContact CG2-CD2 3.48Å; V53-L60 HydrophobicContact CG2-CD2 4.22Å; L60-K62 PolarHBondContact O-N 3.27Å; L60-D63 WeakPolarHBondContact O-CB 3.48Å; L60-D63 PolarHBondContact O-N 2.91Å; L60-V64 HydrophobicContact CD2-CB 4Å; L60-V64 HydrophobicContact CD2-CG1 4.31Å; L60-V64 PolarHBondContact O-N 3.29Å; L60-V64 VanDerWaalsContact O-N 3.13Å
61	G	88	Confident	92.6	Very high	71 Å²	71	88.4 Å²	88.4	73%	0.732	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	-128.5	176.4	0	0	0	0	0	113.2
62	K	90.1	Very high	92.4	Very high	191 Å²	191	89.3 Å²	89.3	83%	0.83	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6.3	171.5	-61.6	180	-179.2	-179.8	0	112.1	L60 N78	L60-K62 PolarHBondContact O-N 3.27Å; K62-N78 PolarHBondContact O-ND2 3.38Å
63	D	92.5	Very high	92.4	Very high	48 Å²	48	84 Å²	84	26%	0.257	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-37.7	-167.2	-66.5	-32.9	0	0	0	112	V53 L60 A77 N78 I79	V53-D63 HydrophobicContact CG1-CB 4.24Å; L60-D63 WeakPolarHBondContact O-CB 3.48Å; L60-D63 PolarHBondContact O-N 2.91Å; D63-A77 CarbonylContact O-C 3.54Å; D63-A77 VanDerWaalsContact O-CA 3.28Å; D63-A77 WeakPolarHBondContact O-CA 3.3Å; D63-N78 PolarHBondContact O-N 3.45Å; D63-I79 HydrophobicContact CB-CD1 3.48Å; D63-I79 VanDerWaalsContact CB-CD1 3.48Å; D63-I79 HydrophobicContact CB-CG1 3.8Å; D63-I79 VanDerWaalsContact OD2-CD1 3.26Å; D63-I79 WeakPolarHBondContact OD2-CD1 3.29Å
64	V	94.9	Very high	92.5	Very high	8 Å²	8	87 Å²	87	5%	0.048	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.4	176.8	-177.6	0	0	0	0	109.7	I51 V53 L60 V66 V75 T76 A77 F81	I51-V64 HydrophobicContact CD1-CG1 4.32Å; I51-V64 HydrophobicContact CG2-CG1 4.29Å; V53-V64 HydrophobicContact CG2-CB 4.48Å; V53-V64 HydrophobicContact CG2-CG2 3.83Å; L60-V64 HydrophobicContact CD2-CB 4Å; L60-V64 HydrophobicContact CD2-CG1 4.31Å; L60-V64 PolarHBondContact O-N 3.29Å; L60-V64 VanDerWaalsContact O-N 3.13Å; V64-V66 HydrophobicContact CG1-CG2 4.44Å; V64-V75 HydrophobicContact CG1-CG1 3.86Å; V64-T76 CarbonylContact C-O 3.58Å; V64-T76 WeakPolarHBondContact CA-O 3.37Å; V64-A77 HydrophobicContact CG2-CB 4.13Å; V64-F81 HydrophobicContact CG2-CD2 4.25Å; V64-F81 HydrophobicContact CG2-CE2 4.44Å
65	H	95	Very high	92.7	Very high	101 Å²	101	81.6 Å²	81.6	47%	0.468	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.4	175.6	-164.5	56.1	0	0	0	109.8	E67 V75 T76	H65-E67 WeakPolarHBondContact CD2-CG 3.39Å; H65-E67 IonicContact CD2-OE1 3.47Å; H65-E67 PolarHBondContact CD2-OE1 3.26Å; H65-E67 WeakPolarHBondContact NE2-CG 3.47Å; H65-E67 IonicContact NE2-OE1 3.57Å; H65-E67 PolarHBondContact NE2-OE1 2.87Å; H65-V75 CarbonylContact O-C 3.58Å; H65-V75 WeakPolarHBondContact O-CA 3.35Å; H65-T76 PolarHBondContact N-O 3.14Å; H65-T76 PolarHBondContact O-N 3.39Å
66	V	95.9	Very high	92.9	Very high	3 Å²	3	74 Å²	74	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116	179	-176.3	0	0	0	0	107.5	E44 L47 K48 I51 V64 I73 H74 V75	E44-V66 HydrophobicContact CG-CG1 4.02Å; L47-V66 HydrophobicContact CB-CG1 4.36Å; K48-V66 VanDerWaalsContact CE-O 3.29Å; K48-V66 WeakPolarHBondContact CE-O 3.3Å; K48-V66 HydrophobicContact CG-CB 4.06Å; K48-V66 HydrophobicContact CG-CG1 4.5Å; K48-V66 HydrophobicContact CG-CG2 4.34Å; I51-V66 HydrophobicContact CD1-CG2 3.81Å; V64-V66 HydrophobicContact CG1-CG2 4.44Å; V66-I73 HydrophobicContact CG1-CG2 3.75Å; V66-H74 WeakPolarHBondContact CA-O 3.38Å; V66-V75 HydrophobicContact CG1-CG2 4.38Å; V66-V75 HydrophobicContact CG2-CG1 4.48Å; V66-V75 HydrophobicContact CG2-CG2 4.31Å
67	E	95.2	Very high	92.9	Very high	94 Å²	94	67 Å²	67	44%	0.439	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.2	177.9	-66.8	174.4	172.7	0	0	109.3	H65 I73 H74	H65-E67 WeakPolarHBondContact CD2-CG 3.39Å; H65-E67 IonicContact CD2-OE1 3.47Å; H65-E67 PolarHBondContact CD2-OE1 3.26Å; H65-E67 WeakPolarHBondContact NE2-CG 3.47Å; H65-E67 IonicContact NE2-OE1 3.57Å; H65-E67 PolarHBondContact NE2-OE1 2.87Å; E67-I73 CarbonylContact O-C 3.53Å; E67-I73 WeakPolarHBondContact O-CA 3.28Å; E67-I73 WeakPolarHBondContact O-CG2 3.29Å; E67-H74 HydrophobicContact CB-CB 4.42Å; E67-H74 PolarHBondContact N-O 3.4Å; E67-H74 PolarHBondContact O-N 2.78Å
68	R	93.5	Very high	92.8	Very high	158 Å²	158	66 Å²	66	60%	0.596	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.3	169.5	61.2	165.4	179.3	118.5	4.8	110	E44	E44-R68 HydrophobicContact CG-CB 4.39Å; E44-R68 WeakPolarHBondContact OE2-CD 3.39Å; E44-R68 WeakPolarHBondContact OE2-CG 3.5Å; E44-R68 IonicContact OE2-NE 3.08Å; E44-R68 PolarHBondContact OE2-NE 3.37Å
69	D	90.3	Very high	92.8	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	32%	0.316	S	S	.	.			trans	-104.3	176.3	153.6	-171.2	20	0	0	0	108.2	S71 T72	D69-S71 VanDerWaalsContact C-N 3.34Å; D69-S71 PolarHBondContact O-N 3.36Å; D69-T72 WeakPolarHBondContact CA-O 3.29Å; D69-T72 PolarHBondContact N-O 3.19Å
70	K	85.9	Confident	92.8	Very high	176 Å²	176	65.1 Å²	65.1	77%	0.765	34%	0.339	S	S	*	.	S	Bend	trans	-47.5	-52.9	-174.8	-65	-180	-178.9	180	0	112.9	M33	M33-K70 VanDerWaalsContact CE-O 3.25Å; M33-K70 WeakPolarHBondContact CE-O 3.43Å
71	S	89.4	Confident	92.9	Very high	43 Å²	43	64.8 Å²	64.8	30%	0.301	34%	0.336	S	S	.	.	S	Bend	trans	-116.3	-5.7	-176	61.1	0	0	0	0	114.3	I28 M33 D69	I28-S71 PolarHBondContact N-O 3.07Å; M33-S71 WeakPolarHBondContact SD-CA 3.39Å; M33-S71 WeakPolarHBondContact SD-CB 3.34Å; D69-S71 VanDerWaalsContact C-N 3.34Å; D69-S71 PolarHBondContact O-N 3.36Å
72	T	93.3	Very high	93.1	Very high	19 Å²	19	64.5 Å²	64.5	12%	0.117	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.9	-171.7	75.7	0	0	0	0	110.9	I26 C27 D69 H74	I26-T72 CarbonylContact O-C 3.53Å; I26-T72 WeakPolarHBondContact O-CA 3.26Å; C27-T72 HydrophobicContact CB-CG2 4.11Å; C27-T72 WeakPolarHBondContact SG-CG2 3.26Å; D69-T72 WeakPolarHBondContact CA-O 3.29Å; D69-T72 PolarHBondContact N-O 3.19Å; T72-H74 PolarHBondContact OG1-CE1 2.95Å; T72-H74 VanDerWaalsContact OG1-CE1 3.31Å; T72-H74 PolarHBondContact OG1-NE2 2.84Å
73	I	95.4	Very high	93.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.2	173.8	-61.6	174.9	0	0	0	107.7	S25 I26 L43 E44 L47 V66 E67 V75	S25-I73 CarbonylContact C-O 3.58Å; S25-I73 VanDerWaalsContact CA-O 3.29Å; S25-I73 WeakPolarHBondContact CA-O 3.23Å; I26-I73 PolarHBondContact N-O 3.38Å; I26-I73 PolarHBondContact O-N 3.03Å; L43-I73 HydrophobicContact CB-CD1 3.68Å; L43-I73 HydrophobicContact CD2-CD1 3.5Å; L43-I73 HydrophobicContact CG-CD1 3.42Å; L43-I73 VanDerWaalsContact CG-CD1 3.42Å; E44-I73 HydrophobicContact CB-CD1 4.37Å; L47-I73 HydrophobicContact CD1-CD1 4.33Å; L47-I73 HydrophobicContact CD1-CG2 3.94Å; V66-I73 HydrophobicContact CG1-CG2 3.75Å; E67-I73 CarbonylContact O-C 3.53Å; E67-I73 WeakPolarHBondContact O-CA 3.28Å; E67-I73 WeakPolarHBondContact O-CG2 3.29Å; I73-V75 HydrophobicContact CG2-CG2 4.41Å
74	H	96	Very high	93.5	Very high	70 Å²	70	63.6 Å²	63.6	32%	0.324	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.5	177.7	-60.3	-58.1	0	0	0	109.9	V66 E67 T72	V66-H74 WeakPolarHBondContact CA-O 3.38Å; E67-H74 HydrophobicContact CB-CB 4.42Å; E67-H74 PolarHBondContact N-O 3.4Å; E67-H74 PolarHBondContact O-N 2.78Å; T72-H74 PolarHBondContact OG1-CE1 2.95Å; T72-H74 VanDerWaalsContact OG1-CE1 3.31Å; T72-H74 PolarHBondContact OG1-NE2 2.84Å
75	V	96.4	Very high	93.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.5	175.5	-177.5	0	0	0	0	108.2	F24 V64 H65 V66 I73 F81 L86	F24-V75 PolarHBondContact N-O 3.25Å; F24-V75 PolarHBondContact O-N 3.09Å; V64-V75 HydrophobicContact CG1-CG1 3.86Å; H65-V75 CarbonylContact O-C 3.58Å; H65-V75 WeakPolarHBondContact O-CA 3.35Å; V66-V75 HydrophobicContact CG1-CG2 4.38Å; V66-V75 HydrophobicContact CG2-CG1 4.48Å; V66-V75 HydrophobicContact CG2-CG2 4.31Å; I73-V75 HydrophobicContact CG2-CG2 4.41Å; V75-F81 HydrophobicContact CG1-CE1 3.97Å; V75-F81 HydrophobicContact CG1-CZ 4.17Å; V75-L86 HydrophobicContact CB-CD1 4.15Å; V75-L86 HydrophobicContact CB-CD2 4.44Å; V75-L86 HydrophobicContact CG1-CD2 4.36Å; V75-L86 HydrophobicContact CG2-CD1 4.14Å; V75-L86 HydrophobicContact CG2-CD2 3.96Å
76	T	95.8	Very high	93.6	Very high	33 Å²	33	60.9 Å²	60.9	20%	0.202	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.6	176.5	-60	0	0	0	0	109.1	V21 L22 K23 V64 H65	V21-T76 HydrophobicContact CG1-CG2 3.44Å; V21-T76 VanDerWaalsContact CG1-CG2 3.44Å; L22-T76 CarbonylContact O-C 3.55Å; L22-T76 WeakPolarHBondContact O-CA 3.39Å; K23-T76 HydrophobicContact CG-CG2 4.25Å; V64-T76 CarbonylContact C-O 3.58Å; V64-T76 WeakPolarHBondContact CA-O 3.37Å; H65-T76 PolarHBondContact N-O 3.14Å; H65-T76 PolarHBondContact O-N 3.39Å
77	A	94.9	Very high	93.7	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	-179	0	0	0	0	0	111.9	L22 D63 V64 F81	L22-A77 PolarHBondContact N-O 3.15Å; L22-A77 PolarHBondContact O-N 2.91Å; D63-A77 CarbonylContact O-C 3.54Å; D63-A77 VanDerWaalsContact O-CA 3.28Å; D63-A77 WeakPolarHBondContact O-CA 3.3Å; V64-A77 HydrophobicContact CG2-CB 4.13Å; A77-F81 HydrophobicContact CB-CB 3.41Å; A77-F81 VanDerWaalsContact CB-CB 3.41Å; A77-F81 HydrophobicContact CB-CD1 4.24Å; A77-F81 HydrophobicContact CB-CD2 4.33Å; A77-F81 HydrophobicContact CB-CG 3.77Å
78	N	92.3	Very high	93.8	Very high	63 Å²	63	65.7 Å²	65.7	34%	0.337	31%	0.313	S	S	.	.	S	Bend	trans	-95.6	-8.1	175.8	-66.2	-39.3	0	0	0	112.9	V21 K62 D63	V21-N78 WeakPolarHBondContact CG2-OD1 3.49Å; K62-N78 PolarHBondContact O-ND2 3.38Å; D63-N78 PolarHBondContact O-N 3.45Å
79	I	91.6	Very high	93.9	Very high	47 Å²	47	58.4 Å²	58.4	24%	0.241	29%	0.286	C	S	.	.	S	Bend	trans	-107.1	156.3	176.9	-68.7	-170.9	0	0	0	108.5	V53 D63 F81	V53-I79 HydrophobicContact CG1-CD1 3.96Å; D63-I79 HydrophobicContact CB-CD1 3.48Å; D63-I79 VanDerWaalsContact CB-CD1 3.48Å; D63-I79 HydrophobicContact CB-CG1 3.8Å; D63-I79 VanDerWaalsContact OD2-CD1 3.26Å; D63-I79 WeakPolarHBondContact OD2-CD1 3.29Å; I79-F81 WeakPolarHBondContact O-CB 3.35Å; I79-F81 PolarHBondContact O-N 3.23Å
80	P	91.3	Very high	94.1	Very high	129 Å²	129	54.5 Å²	54.5	84%	0.838	27%	0.265	S	S	*	.			trans	-46	107	167	-30.4	36.1	0	0	0	112.1
81	F	93	Very high	94.6	Very high	25 Å²	25	49.5 Å²	49.5	11%	0.11	24%	0.243	C	C	.	.			trans	-132.8	135.8	-176.6	-168	-94.3	0	0	0	108.4	L22 F24 I51 V64 V75 A77 I79 Y85 L86	L22-F81 HydrophobicContact CD1-CB 4.46Å; L22-F81 WeakPolarHBondContact CD1-O 2.99Å; F24-F81 AromaticContact CD2-CD1 3.69Å; F24-F81 HydrophobicContact CD2-CD1 3.69Å; F24-F81 HydrophobicContact CD2-CE1 4.13Å; F24-F81 HydrophobicContact CE2-CB 4.41Å; F24-F81 AromaticContact CE2-CD1 3.62Å; F24-F81 HydrophobicContact CE2-CD1 3.62Å; F24-F81 HydrophobicContact CE2-CE1 4.46Å; F24-F81 HydrophobicContact CE2-CG 4.5Å; I51-F81 HydrophobicContact CD1-CZ 4.44Å; I51-F81 HydrophobicContact CG2-CE2 4.02Å; V64-F81 HydrophobicContact CG2-CD2 4.25Å; V64-F81 HydrophobicContact CG2-CE2 4.44Å; V75-F81 HydrophobicContact CG1-CE1 3.97Å; V75-F81 HydrophobicContact CG1-CZ 4.17Å; A77-F81 HydrophobicContact CB-CB 3.41Å; A77-F81 VanDerWaalsContact CB-CB 3.41Å; A77-F81 HydrophobicContact CB-CD1 4.24Å; A77-F81 HydrophobicContact CB-CD2 4.33Å; A77-F81 HydrophobicContact CB-CG 3.77Å; I79-F81 WeakPolarHBondContact O-CB 3.35Å; I79-F81 PolarHBondContact O-N 3.23Å; F81-Y85 HydrophobicContact CD2-CD1 4.36Å; F81-Y85 AromaticContact CE2-CD1 3.56Å; F81-Y85 HydrophobicContact CE2-CD1 3.56Å; F81-Y85 HydrophobicContact CE2-CE1 4.03Å; F81-Y85 AromaticContact CZ-CD1 3.79Å; F81-Y85 HydrophobicContact CZ-CD1 3.79Å; F81-Y85 HydrophobicContact CZ-CE1 4.46Å; F81-L86 HydrophobicContact CE1-CD1 4.1Å; F81-L86 HydrophobicContact CE1-CD2 3.83Å; F81-L86 HydrophobicContact CE1-CG 3.74Å; F81-L86 HydrophobicContact CZ-CD2 3.8Å; F81-L86 HydrophobicContact CZ-CG 4.17Å
82	S	93.1	Very high	94.9	Very high	64 Å²	64	52.1 Å²	52.1	45%	0.448	25%	0.249	S	C	.	.			trans	-108.3	136.6	-177.3	71.4	0	0	0	0	110.5	R84 Y85	S82-R84 PolarHBondContact O-N 3Å; S82-Y85 WeakPolarHBondContact O-CB 2.98Å; S82-Y85 PolarHBondContact O-N 2.87Å; S82-Y85 PolarHBondContact OG-N 2.85Å
83	K	94.8	Very high	95	Very high	23 Å²	23	51.3 Å²	51.3	10%	0.1	24%	0.244	C	C	.	.	H	α-helix	trans	-52.4	-40.4	169.2	-178.9	175.4	179.1	-158.7	0	111.8	F24 Y85 L86 K87 S109 K110 S112 Y113	F24-K83 HydrophobicContact CD1-CB 3.69Å; F24-K83 HydrophobicContact CD1-CD 4.35Å; F24-K83 HydrophobicContact CD1-CG 4.13Å; F24-K83 HydrophobicContact CE1-CB 3.64Å; F24-K83 HydrophobicContact CG-CB 4.43Å; F24-K83 HydrophobicContact CZ-CB 4.32Å; K83-Y85 PolarHBondContact O-N 2.7Å; K83-Y85 VanDerWaalsContact O-N 3.09Å; K83-L86 WeakPolarHBondContact O-CA 3.23Å; K83-L86 VanDerWaalsContact O-CB 3.29Å; K83-L86 WeakPolarHBondContact O-CB 3.42Å; K83-L86 PolarHBondContact O-N 3.21Å; K83-K87 PolarHBondContact O-N 3.28Å; K83-S109 PolarHBondContact NZ-O 2.77Å; K83-K110 WeakPolarHBondContact CD-O 3.45Å; K83-K110 PolarHBondContact NZ-O 3.08Å; K83-K110 VanDerWaalsContact NZ-O 3.13Å; K83-S112 WeakPolarHBondContact CE-O 3.25Å; K83-S112 VanDerWaalsContact NZ-C 3.31Å; K83-S112 PolarHBondContact NZ-O 2.99Å; K83-Y113 HydrophobicContact CB-CE2 4.45Å; K83-Y113 HydrophobicContact CD-CD2 4.33Å; K83-Y113 HydrophobicContact CD-CE2 3.91Å; K83-Y113 VanDerWaalsContact CE-CE2 3.47Å; K83-Y113 VanDerWaalsContact CE-CZ 3.49Å; K83-Y113 HydrophobicContact CG-CD2 3.84Å; K83-Y113 HydrophobicContact CG-CE2 3.21Å; K83-Y113 VanDerWaalsContact O-CE2 3.32Å; K83-Y113 WeakPolarHBondContact O-CE2 3.35Å
84	R	96.5	Very high	95	Very high	198 Å²	198	51.4 Å²	51.4	75%	0.747	24%	0.244	S	C	*	.	H	α-helix	trans	-52.9	-34	177.7	-175.4	-179	-66.4	-91.2	1.4	112.8	S82 L86 K87 Y88	S82-R84 PolarHBondContact O-N 3Å; R84-L86 VanDerWaalsContact C-N 3.32Å; R84-L86 PolarHBondContact O-N 3.13Å; R84-K87 WeakPolarHBondContact O-CB 3.35Å; R84-K87 PolarHBondContact O-N 3.49Å; R84-Y88 PolarHBondContact O-N 2.63Å; R84-Y88 VanDerWaalsContact O-N 3.07Å
85	Y	96	Very high	94.9	Very high	51 Å²	51	54.8 Å²	54.8	20%	0.2	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-38.4	176.6	-174.9	-148	0	0	0	112.1	H50 I51 K52 F81 S82 K83 K87 Y88 L89	H50-Y85 PolarHBondContact O-OH 3.44Å; I51-Y85 HydrophobicContact CG2-CE1 4.27Å; K52-Y85 PolarHBondContact N-OH 2.87Å; F81-Y85 HydrophobicContact CD2-CD1 4.36Å; F81-Y85 AromaticContact CE2-CD1 3.56Å; F81-Y85 HydrophobicContact CE2-CD1 3.56Å; F81-Y85 HydrophobicContact CE2-CE1 4.03Å; F81-Y85 AromaticContact CZ-CD1 3.79Å; F81-Y85 HydrophobicContact CZ-CD1 3.79Å; F81-Y85 HydrophobicContact CZ-CE1 4.46Å; S82-Y85 WeakPolarHBondContact O-CB 2.98Å; S82-Y85 PolarHBondContact O-N 2.87Å; S82-Y85 PolarHBondContact OG-N 2.85Å; K83-Y85 PolarHBondContact O-N 2.7Å; K83-Y85 VanDerWaalsContact O-N 3.09Å; Y85-K87 PolarHBondContact O-N 3.08Å; Y85-Y88 HydrophobicContact CD2-CD1 4.11Å; Y85-Y88 HydrophobicContact CE2-CD1 4.02Å; Y85-Y88 HydrophobicContact CE2-CE1 4.49Å; Y85-Y88 WeakPolarHBondContact O-CB 3.47Å; Y85-Y88 PolarHBondContact O-N 3.36Å; Y85-L89 HydrophobicContact CD2-CD1 4.37Å; Y85-L89 HydrophobicContact CD2-CG 4.19Å; Y85-L89 HydrophobicContact CE1-CD1 4.19Å; Y85-L89 HydrophobicContact CE2-CD1 3.95Å; Y85-L89 HydrophobicContact CE2-CD2 4.03Å; Y85-L89 HydrophobicContact CE2-CG 3.82Å; Y85-L89 WeakPolarHBondContact O-CG 3.21Å; Y85-L89 PolarHBondContact O-N 2.97Å
86	L	96	Very high	94.8	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-41.2	171.9	-62.6	177.5	0	0	0	111.8	F24 I26 L47 V75 F81 K83 R84 Y88 L89 T90 Y113	F24-L86 HydrophobicContact CB-CD1 3.49Å; F24-L86 VanDerWaalsContact CB-CD1 3.49Å; F24-L86 HydrophobicContact CD2-CD1 4.41Å; F24-L86 HydrophobicContact CG-CD1 4.1Å; I26-L86 HydrophobicContact CD1-CB 4.22Å; I26-L86 HydrophobicContact CD1-CD1 4.33Å; I26-L86 HydrophobicContact CD1-CD2 4.37Å; I26-L86 HydrophobicContact CG1-CD1 4.48Å; L47-L86 HydrophobicContact CD2-CD2 4.29Å; V75-L86 HydrophobicContact CB-CD1 4.15Å; V75-L86 HydrophobicContact CB-CD2 4.44Å; V75-L86 HydrophobicContact CG1-CD2 4.36Å; V75-L86 HydrophobicContact CG2-CD1 4.14Å; V75-L86 HydrophobicContact CG2-CD2 3.96Å; F81-L86 HydrophobicContact CE1-CD1 4.1Å; F81-L86 HydrophobicContact CE1-CD2 3.83Å; F81-L86 HydrophobicContact CE1-CG 3.74Å; F81-L86 HydrophobicContact CZ-CD2 3.8Å; F81-L86 HydrophobicContact CZ-CG 4.17Å; K83-L86 WeakPolarHBondContact O-CA 3.23Å; K83-L86 VanDerWaalsContact O-CB 3.29Å; K83-L86 WeakPolarHBondContact O-CB 3.42Å; K83-L86 PolarHBondContact O-N 3.21Å; R84-L86 VanDerWaalsContact C-N 3.32Å; R84-L86 PolarHBondContact O-N 3.13Å; L86-Y88 VanDerWaalsContact C-N 3.3Å; L86-Y88 PolarHBondContact O-N 2.84Å; L86-L89 PolarHBondContact O-N 3.26Å; L86-T90 WeakPolarHBondContact O-CG2 3.29Å; L86-T90 PolarHBondContact O-N 2.85Å; L86-T90 PolarHBondContact O-OG1 3.06Å; L86-Y113 HydrophobicContact CB-CD2 4.48Å
87	K	96.3	Very high	94.6	Very high	70 Å²	70	65.2 Å²	65.2	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-42.2	175.1	-171.5	172	-179.7	173.6	0	112	K83 R84 Y85 T90 K91 V105 Y113	K83-K87 PolarHBondContact O-N 3.28Å; R84-K87 WeakPolarHBondContact O-CB 3.35Å; R84-K87 PolarHBondContact O-N 3.49Å; Y85-K87 PolarHBondContact O-N 3.08Å; K87-T90 WeakPolarHBondContact CA-OG1 3.44Å; K87-T90 PolarHBondContact O-OG1 3.36Å; K87-K91 HydrophobicContact CG-CD 4.36Å; K87-K91 VanDerWaalsContact O-CB 3.25Å; K87-K91 WeakPolarHBondContact O-CB 3.25Å; K87-K91 WeakPolarHBondContact O-CG 3.38Å; K87-K91 PolarHBondContact O-N 2.88Å; K87-V105 HydrophobicContact CG-CG1 4.37Å; K87-Y113 HydrophobicContact CB-CD2 4.45Å; K87-Y113 HydrophobicContact CB-CE1 4.35Å; K87-Y113 HydrophobicContact CB-CE2 3.61Å; K87-Y113 HydrophobicContact CD-CE1 4.06Å; K87-Y113 HydrophobicContact CG-CE1 4.44Å
88	Y	97.1	Very high	94.5	Very high	129 Å²	129	73.2 Å²	73.2	51%	0.506	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-49.6	176.5	165.3	-95.8	0	0	0	111.1	R84 Y85 L86 K91 K92	R84-Y88 PolarHBondContact O-N 2.63Å; R84-Y88 VanDerWaalsContact O-N 3.07Å; Y85-Y88 HydrophobicContact CD2-CD1 4.11Å; Y85-Y88 HydrophobicContact CE2-CD1 4.02Å; Y85-Y88 HydrophobicContact CE2-CE1 4.49Å; Y85-Y88 WeakPolarHBondContact O-CB 3.47Å; Y85-Y88 PolarHBondContact O-N 3.36Å; L86-Y88 VanDerWaalsContact C-N 3.3Å; L86-Y88 PolarHBondContact O-N 2.84Å; Y88-K91 PolarHBondContact O-N 2.81Å; Y88-K92 HydrophobicContact CE1-CD 4.31Å; Y88-K92 WeakPolarHBondContact O-CB 3.29Å; Y88-K92 PolarHBondContact O-N 2.83Å
89	L	96.7	Very high	94.4	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-45.8	-178.9	-70.2	177.8	0	0	0	112	Y46 L47 H50 I51 Y85 L86 K92 F93	Y46-L89 HydrophobicContact CE1-CB 4.29Å; Y46-L89 VanDerWaalsContact CE1-O 3.29Å; Y46-L89 WeakPolarHBondContact CE1-O 3.49Å; L47-L89 HydrophobicContact CD2-CB 3.85Å; L47-L89 HydrophobicContact CD2-CD1 3.92Å; H50-L89 HydrophobicContact CB-CD2 3.85Å; I51-L89 HydrophobicContact CB-CD1 4.49Å; I51-L89 HydrophobicContact CG1-CD1 3.52Å; Y85-L89 HydrophobicContact CD2-CD1 4.37Å; Y85-L89 HydrophobicContact CD2-CG 4.19Å; Y85-L89 HydrophobicContact CE1-CD1 4.19Å; Y85-L89 HydrophobicContact CE2-CD1 3.95Å; Y85-L89 HydrophobicContact CE2-CD2 4.03Å; Y85-L89 HydrophobicContact CE2-CG 3.82Å; Y85-L89 WeakPolarHBondContact O-CG 3.21Å; Y85-L89 PolarHBondContact O-N 2.97Å; L86-L89 PolarHBondContact O-N 3.26Å; L89-K92 WeakPolarHBondContact O-CB 3.15Å; L89-K92 PolarHBondContact O-N 3.04Å; L89-F93 PolarHBondContact O-N 3.43Å
90	T	95.1	Very high	94.4	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-42	178	54.8	0	0	0	0	111.6	I26 L43 L86 K87 K92 F93 L94 F115	I26-T90 HydrophobicContact CD1-CG2 3.66Å; I26-T90 HydrophobicContact CG1-CG2 4.36Å; I26-T90 HydrophobicContact CG2-CG2 4.22Å; L43-T90 HydrophobicContact CD1-CG2 4.34Å; L86-T90 WeakPolarHBondContact O-CG2 3.29Å; L86-T90 PolarHBondContact O-N 2.85Å; L86-T90 PolarHBondContact O-OG1 3.06Å; K87-T90 WeakPolarHBondContact CA-OG1 3.44Å; K87-T90 PolarHBondContact O-OG1 3.36Å; T90-K92 VanDerWaalsContact C-N 3.28Å; T90-K92 PolarHBondContact O-N 2.91Å; T90-F93 WeakPolarHBondContact O-CB 3.32Å; T90-F93 PolarHBondContact O-N 3.37Å; T90-L94 WeakPolarHBondContact O-CG 3.41Å; T90-L94 PolarHBondContact O-N 2.63Å; T90-F115 HydrophobicContact CG2-CE1 4.19Å; T90-F115 HydrophobicContact CG2-CZ 4.13Å
91	K	95.8	Very high	94.2	Very high	71 Å²	71	72.1 Å²	72.1	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-36.7	173.3	-82.1	-171.3	166.9	-162.6	0	112.8	K87 Y88 K95 R100 V105	K87-K91 HydrophobicContact CG-CD 4.36Å; K87-K91 VanDerWaalsContact O-CB 3.25Å; K87-K91 WeakPolarHBondContact O-CB 3.25Å; K87-K91 WeakPolarHBondContact O-CG 3.38Å; K87-K91 PolarHBondContact O-N 2.88Å; Y88-K91 PolarHBondContact O-N 2.81Å; K91-K95 PolarHBondContact O-N 3.46Å; K91-R100 PolarHBondContact O-NE 2.8Å; K91-R100 VanDerWaalsContact O-NE 3.08Å; K91-V105 HydrophobicContact CG-CG2 4.13Å
92	K	96.5	Very high	94	Very high	98 Å²	98	75.8 Å²	75.8	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-69.9	-40.5	177.1	-171.3	177.1	-179	176.1	0	111.5	Y46 Y88 L89 T90 K95 R96	Y46-K92 WeakPolarHBondContact OH-CB 3.01Å; Y46-K92 WeakPolarHBondContact OH-CD 3.22Å; Y46-K92 VanDerWaalsContact OH-CG 3.24Å; Y46-K92 WeakPolarHBondContact OH-CG 3.48Å; Y88-K92 HydrophobicContact CE1-CD 4.31Å; Y88-K92 WeakPolarHBondContact O-CB 3.29Å; Y88-K92 PolarHBondContact O-N 2.83Å; L89-K92 WeakPolarHBondContact O-CB 3.15Å; L89-K92 PolarHBondContact O-N 3.04Å; T90-K92 VanDerWaalsContact C-N 3.28Å; T90-K92 PolarHBondContact O-N 2.91Å; K92-K95 PolarHBondContact O-N 3.08Å; K92-R96 PolarHBondContact O-N 2.9Å
93	F	95.2	Very high	94	Very high	3 Å²	3	72.8 Å²	72.8	1%	0.013	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-53.1	171.1	177.5	-100.8	0	0	0	111.3	V38 L42 L43 Y46 L89 T90 K95 R96 H97	V38-F93 HydrophobicContact CG1-CE1 4.02Å; L42-F93 HydrophobicContact CB-CZ 4.37Å; L42-F93 HydrophobicContact CD2-CE2 4.02Å; L42-F93 HydrophobicContact CD2-CZ 3.9Å; L42-F93 HydrophobicContact CG-CE2 3.85Å; L42-F93 HydrophobicContact CG-CZ 3.97Å; L43-F93 HydrophobicContact CB-CE1 4.36Å; L43-F93 HydrophobicContact CB-CZ 4.38Å; L43-F93 HydrophobicContact CD1-CB 4.28Å; L43-F93 HydrophobicContact CD1-CD1 3.73Å; L43-F93 HydrophobicContact CD1-CD2 4.38Å; L43-F93 HydrophobicContact CD1-CE1 4.12Å; L43-F93 HydrophobicContact CD1-CG 3.86Å; Y46-F93 HydrophobicContact CD1-CB 3.85Å; Y46-F93 AromaticContact CD1-CD2 3.97Å; Y46-F93 HydrophobicContact CD1-CD2 3.97Å; Y46-F93 HydrophobicContact CD1-CG 4.27Å; Y46-F93 HydrophobicContact CD2-CB 4.45Å; Y46-F93 AromaticContact CD2-CD2 3.62Å; Y46-F93 HydrophobicContact CD2-CD2 3.62Å; Y46-F93 HydrophobicContact CD2-CE2 4.42Å; Y46-F93 HydrophobicContact CE1-CB 3.73Å; Y46-F93 HydrophobicContact CE2-CB 4.32Å; Y46-F93 HydrophobicContact CE2-CD2 4.17Å; Y46-F93 HydrophobicContact CG-CB 4.22Å; Y46-F93 AromaticContact CG-CD2 3.5Å; Y46-F93 HydrophobicContact CG-CD2 3.5Å; Y46-F93 HydrophobicContact CG-CE2 4.29Å; Y46-F93 HydrophobicContact CG-CG 4.24Å; L89-F93 PolarHBondContact O-N 3.43Å; T90-F93 WeakPolarHBondContact O-CB 3.32Å; T90-F93 PolarHBondContact O-N 3.37Å; F93-K95 VanDerWaalsContact C-N 3.28Å; F93-K95 PolarHBondContact O-N 2.92Å; F93-R96 WeakPolarHBondContact O-CB 3.14Å; F93-R96 PolarHBondContact O-N 3.24Å; F93-R96 VanDerWaalsContact O-N 3.08Å; F93-H97 AromaticContact CD2-CD2 3.69Å; F93-H97 AromaticContact CD2-NE2 3.81Å; F93-H97 AromaticContact CE2-CD2 3.38Å; F93-H97 WeakPolarHBondContact CE2-CD2 3.44Å; F93-H97 AromaticContact CE2-NE2 3.25Å; F93-H97 VanDerWaalsContact CE2-NE2 3.25Å; F93-H97 WeakPolarHBondContact CE2-NE2 3.4Å; F93-H97 AromaticContact CZ-CD2 3.57Å; F93-H97 AromaticContact CZ-NE2 3.72Å; F93-H97 PolarHBondContact O-CD2 3.48Å; F93-H97 VanDerWaalsContact O-CD2 3.29Å; F93-H97 PolarHBondContact O-N 3.26Å; F93-H97 VanDerWaalsContact O-N 3.14Å
94	L	94	Very high	93.8	Very high	1 Å²	1	75.8 Å²	75.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-38.5	178.6	-66.9	175.4	0	0	0	112.2	V38 T90 H97 K98 L99 R100 L103 V105 F115	V38-L94 HydrophobicContact CG2-CD2 4.47Å; T90-L94 WeakPolarHBondContact O-CG 3.41Å; T90-L94 PolarHBondContact O-N 2.63Å; L94-H97 CarbonylContact O-C 3.49Å; L94-H97 PolarHBondContact O-N 3.06Å; L94-K98 PolarHBondContact O-N 3.01Å; L94-L99 HydrophobicContact CB-CB 4.33Å; L94-L99 HydrophobicContact CD2-CB 3.79Å; L94-L99 HydrophobicContact CD2-CD1 4Å; L94-L99 PolarHBondContact O-N 3.42Å; L94-R100 HydrophobicContact CB-CG 4.09Å; L94-L103 HydrophobicContact CD1-CB 4.3Å; L94-L103 HydrophobicContact CD2-CB 4.42Å; L94-L103 HydrophobicContact CD2-CD1 4.04Å; L94-V105 HydrophobicContact CD1-CG2 3.64Å; L94-F115 HydrophobicContact CD1-CE1 4.48Å; L94-F115 HydrophobicContact CD2-CE2 4.48Å
95	K	94.5	Very high	93.7	Very high	142 Å²	142	66.8 Å²	66.8	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-67	-39.5	176.8	-174.1	61.6	177.1	-178.5	0	112.1	K91 K92 F93 H97 K98 R100	K91-K95 PolarHBondContact O-N 3.46Å; K92-K95 PolarHBondContact O-N 3.08Å; F93-K95 VanDerWaalsContact C-N 3.28Å; F93-K95 PolarHBondContact O-N 2.92Å; K95-H97 PolarHBondContact O-N 3.46Å; K95-K98 PolarHBondContact O-N 2.94Å; K95-K98 VanDerWaalsContact O-N 3.15Å; K95-R100 HydrophobicContact CB-CG 3.96Å; K95-R100 HydrophobicContact CD-CG 4.14Å
96	R	93.7	Very high	93.6	Very high	173 Å²	173	66.2 Å²	66.2	65%	0.653	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-35.6	176.8	-174.5	177.7	-178.7	176.3	-0.5	111.9	K92 F93	K92-R96 PolarHBondContact O-N 2.9Å; F93-R96 WeakPolarHBondContact O-CB 3.14Å; F93-R96 PolarHBondContact O-N 3.24Å; F93-R96 VanDerWaalsContact O-N 3.08Å
97	H	92.5	Very high	93.5	Very high	79 Å²	79	69.1 Å²	69.1	37%	0.366	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.4	178.4	-67.8	-75.4	0	0	0	114	F93 L94 K95 L99	F93-H97 AromaticContact CD2-CD2 3.69Å; F93-H97 AromaticContact CD2-NE2 3.81Å; F93-H97 AromaticContact CE2-CD2 3.38Å; F93-H97 WeakPolarHBondContact CE2-CD2 3.44Å; F93-H97 AromaticContact CE2-NE2 3.25Å; F93-H97 VanDerWaalsContact CE2-NE2 3.25Å; F93-H97 WeakPolarHBondContact CE2-NE2 3.4Å; F93-H97 AromaticContact CZ-CD2 3.57Å; F93-H97 AromaticContact CZ-NE2 3.72Å; F93-H97 PolarHBondContact O-CD2 3.48Å; F93-H97 VanDerWaalsContact O-CD2 3.29Å; F93-H97 PolarHBondContact O-N 3.26Å; F93-H97 VanDerWaalsContact O-N 3.14Å; L94-H97 CarbonylContact O-C 3.49Å; L94-H97 PolarHBondContact O-N 3.06Å; K95-H97 PolarHBondContact O-N 3.46Å; H97-L99 HydrophobicContact CB-CD1 3.96Å; H97-L99 HydrophobicContact CB-CG 3.91Å; H97-L99 PolarHBondContact O-N 3.03Å
98	K	91.9	Very high	93.4	Very high	168 Å²	168	71.7 Å²	71.7	73%	0.73	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.1	-176.6	-54.6	-179.2	-178.9	179.3	0	114.1	L94 K95	L94-K98 PolarHBondContact O-N 3.01Å; K95-K98 PolarHBondContact O-N 2.94Å; K95-K98 VanDerWaalsContact O-N 3.15Å
99	L	91.5	Very high	93.2	Very high	24 Å²	24	68.5 Å²	68.5	13%	0.126	32%	0.319	C	S	.	.			trans	-95.3	6.2	179.3	-62	178.4	0	0	0	113.3	I37 V38 L94 H97 D101 F102 L103	I37-L99 HydrophobicContact CG2-CD1 3.92Å; I37-L99 HydrophobicContact CG2-CD2 3.46Å; I37-L99 VanDerWaalsContact CG2-CD2 3.46Å; I37-L99 HydrophobicContact CG2-CG 4.29Å; V38-L99 HydrophobicContact CG2-CD1 3.62Å; L94-L99 HydrophobicContact CB-CB 4.33Å; L94-L99 HydrophobicContact CD2-CB 3.79Å; L94-L99 HydrophobicContact CD2-CD1 4Å; L94-L99 PolarHBondContact O-N 3.42Å; H97-L99 HydrophobicContact CB-CD1 3.96Å; H97-L99 HydrophobicContact CB-CG 3.91Å; H97-L99 PolarHBondContact O-N 3.03Å; L99-D101 PolarHBondContact O-N 2.98Å; L99-F102 PolarHBondContact O-N 2.82Å; L99-L103 HydrophobicContact CB-CD1 4.36Å; L99-L103 HydrophobicContact CD1-CD1 4.47Å; L99-L103 WeakPolarHBondContact O-CB 3.19Å; L99-L103 PolarHBondContact O-N 2.89Å
100	R	90.3	Very high	93.1	Very high	89 Å²	89	77.1 Å²	77.1	34%	0.336	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.3	-175.9	-79	-68.1	-136.2	118.2	22.2	113.7	K91 L94 K95 F118	K91-R100 PolarHBondContact O-NE 2.8Å; K91-R100 VanDerWaalsContact O-NE 3.08Å; L94-R100 HydrophobicContact CB-CG 4.09Å; K95-R100 HydrophobicContact CB-CG 3.96Å; K95-R100 HydrophobicContact CD-CG 4.14Å; R100-F118 VanDerWaalsContact O-CE2 3.23Å; R100-F118 WeakPolarHBondContact O-CE2 3.12Å
101	D	88.3	Confident	93.1	Very high	103 Å²	103	80.8 Å²	80.8	55%	0.551	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-23.7	-177.8	-47.8	-26.5	0	0	0	110.2	L99 F118 F120	L99-D101 PolarHBondContact O-N 2.98Å; D101-F118 WeakPolarHBondContact O-CD2 3.38Å; D101-F120 VanDerWaalsContact O-CZ 3.3Å; D101-F120 WeakPolarHBondContact O-CZ 3.36Å
102	F	88.6	Confident	93	Very high	101 Å²	101	77.9 Å²	77.9	44%	0.443	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-34.7	180	-53.3	-75.9	0	0	0	112.6	L99 F117 F118 F120	L99-F102 PolarHBondContact O-N 2.82Å; F102-F117 CarbonylContact O-C 3.53Å; F102-F117 VanDerWaalsContact O-CA 3.25Å; F102-F117 WeakPolarHBondContact O-CA 3.35Å; F102-F118 VanDerWaalsContact C-CD2 3.43Å; F102-F118 WeakPolarHBondContact O-CD2 3.44Å; F102-F118 PolarHBondContact O-N 3.24Å; F102-F120 HydrophobicContact CD1-CE2 4.45Å; F102-F120 HydrophobicContact CD1-CZ 4.18Å
103	L	91.7	Very high	93	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.4	-169.5	-57.3	179	0	0	0	113.2	V32 I37 V38 L94 L99 R116 F117	V32-L103 HydrophobicContact CG1-CD1 3.81Å; V32-L103 HydrophobicContact CG1-CD2 4.2Å; V32-L103 HydrophobicContact CG2-CD2 3.44Å; V32-L103 VanDerWaalsContact CG2-CD2 3.44Å; I37-L103 HydrophobicContact CG2-CD1 4.28Å; V38-L103 HydrophobicContact CG2-CD1 3.7Å; L94-L103 HydrophobicContact CD1-CB 4.3Å; L94-L103 HydrophobicContact CD2-CB 4.42Å; L94-L103 HydrophobicContact CD2-CD1 4.04Å; L99-L103 HydrophobicContact CB-CD1 4.36Å; L99-L103 HydrophobicContact CD1-CD1 4.47Å; L99-L103 WeakPolarHBondContact O-CB 3.19Å; L99-L103 PolarHBondContact O-N 2.89Å; L103-R116 WeakPolarHBondContact CA-O 3.42Å; L103-F117 HydrophobicContact CD2-CD1 3.58Å; L103-F117 HydrophobicContact CD2-CE1 3.63Å; L103-F117 HydrophobicContact CD2-CG 4.14Å; L103-F117 HydrophobicContact CD2-CZ 4.23Å
104	R	91.5	Very high	93	Very high	86 Å²	86	75.2 Å²	75.2	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.8	167.4	56.5	176.6	-178.2	-148.7	0.1	112.4	V106 F115 R116 F118 E123	R104-V106 HydrophobicContact CB-CG2 4.42Å; R104-V106 HydrophobicContact CG-CG2 3.82Å; R104-F115 WeakPolarHBondContact O-CA 3.45Å; R104-R116 HydrophobicContact CG-CB 4.18Å; R104-R116 WeakPolarHBondContact CG-O 3.22Å; R104-R116 PolarHBondContact N-O 2.91Å; R104-R116 PolarHBondContact O-N 3.04Å; R104-F118 HydrophobicContact CB-CD1 4.45Å; R104-F118 HydrophobicContact CB-CE1 3.85Å; R104-F118 HydrophobicContact CB-CE2 4.14Å; R104-F118 HydrophobicContact CB-CZ 3.68Å; R104-F118 HydrophobicContact CG-CD1 4.28Å; R104-F118 HydrophobicContact CG-CE1 4.14Å; R104-F118 HydrophobicContact CG-CZ 4.36Å; R104-E123 IonicContact NH1-OE1 3.02Å; R104-E123 IonicContact NH1-OE2 2.99Å
105	V	93.9	Very high	92.9	Very high	9 Å²	9	75.2 Å²	75.2	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	108	175	-172.1	0	0	0	0	109.3	K87 K91 L94 Y113 F115	K87-V105 HydrophobicContact CG-CG1 4.37Å; K91-V105 HydrophobicContact CG-CG2 4.13Å; L94-V105 HydrophobicContact CD1-CG2 3.64Å; V105-Y113 HydrophobicContact CG1-CD1 3.96Å; V105-Y113 HydrophobicContact CG1-CG 3.92Å; V105-F115 HydrophobicContact CB-CD1 4.41Å; V105-F115 HydrophobicContact CB-CE1 4.46Å; V105-F115 HydrophobicContact CG1-CD1 4.34Å; V105-F115 HydrophobicContact CG1-CE1 4.21Å; V105-F115 HydrophobicContact CG2-CD1 3.84Å; V105-F115 HydrophobicContact CG2-CE1 3.66Å
106	V	93.7	Very high	92.6	Very high	40 Å²	40	73.4 Å²	73.4	24%	0.242	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.1	-174.8	-176.8	0	0	0	0	110.2	R104 K108 Y113 E114 R116	R104-V106 HydrophobicContact CB-CG2 4.42Å; R104-V106 HydrophobicContact CG-CG2 3.82Å; V106-K108 PolarHBondContact O-N 2.89Å; V106-Y113 CarbonylContact O-C 3.59Å; V106-Y113 WeakPolarHBondContact O-CA 3.19Å; V106-Y113 WeakPolarHBondContact O-CD1 3.45Å; V106-E114 PolarHBondContact N-O 2.82Å; V106-E114 PolarHBondContact O-N 3.27Å; V106-R116 HydrophobicContact CB-CG 4.46Å; V106-R116 HydrophobicContact CG2-CB 4.35Å; V106-R116 HydrophobicContact CG2-CG 4.31Å
107	A	95.4	Very high	92.5	Very high	60 Å²	60	67.9 Å²	67.9	50%	0.496	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	122.9	174.1	0	0	0	0	0	109.5	Y113	A107-Y113 HydrophobicContact CB-CD1 4.11Å; A107-Y113 HydrophobicContact CB-CE1 3.9Å
108	K	93.3	Very high	92.2	Very high	124 Å²	124	66.3 Å²	66.3	54%	0.539	32%	0.315	S	S	.	.	S	Bend	trans	-89.5	-42.6	175.2	176.6	174.4	-171.7	162.7	0	111.7	V106 S112 E114	V106-K108 PolarHBondContact O-N 2.89Å; K108-S112 WeakPolarHBondContact CB-OG 3.45Å; K108-S112 PolarHBondContact N-O 2.86Å; K108-E114 HydrophobicContact CB-CB 4.14Å; K108-E114 HydrophobicContact CD-CB 4.49Å; K108-E114 IonicContact NZ-OE1 3.27Å; K108-E114 PolarHBondContact NZ-OE1 3.27Å
109	S	94.1	Very high	91.6	Very high	62 Å²	62	62.7 Å²	62.7	43%	0.434	30%	0.304	S	S	.	.	S	Bend	trans	-136.3	-176.6	171.6	80.5	0	0	0	0	110.3	K83 D111 S112	K83-S109 PolarHBondContact NZ-O 2.77Å; S109-D111 PolarHBondContact O-N 3.2Å; S109-D111 PolarHBondContact OG-N 3.09Å; S109-S112 WeakPolarHBondContact CB-OG 3.24Å; S109-S112 PolarHBondContact N-O 3.31Å; S109-S112 PolarHBondContact N-OG 3.19Å; S109-S112 PolarHBondContact O-N 3.38Å; S109-S112 PolarHBondContact OG-N 3.22Å; S109-S112 PolarHBondContact OG-OG 3.49Å
110	K	93.8	Very high	90.4	Very high	185 Å²	185	67.7 Å²	67.7	80%	0.804	33%	0.325	S	S	*	.	S	Bend	trans	-54.3	-37.4	174.4	-169.6	176.3	-179.9	179.9	0	112	K83	K83-K110 WeakPolarHBondContact CD-O 3.45Å; K83-K110 PolarHBondContact NZ-O 3.08Å; K83-K110 VanDerWaalsContact NZ-O 3.13Å
111	D	94.4	Very high	89.2	Confident	78 Å²	78	71.9 Å²	71.9	42%	0.417	35%	0.348	S	S	.	.	S	Bend	trans	-109.3	-3.6	-172.1	-56.9	-39.9	0	0	0	113.9	F24 S25 S109	F24-D111 VanDerWaalsContact CA-O 3.29Å; F24-D111 WeakPolarHBondContact CA-O 3.09Å; F24-D111 HydrophobicContact CD1-CB 4.23Å; S25-D111 PolarHBondContact N-O 3.01Å; S25-D111 VanDerWaalsContact N-O 3.08Å; S109-D111 PolarHBondContact O-N 3.2Å; S109-D111 PolarHBondContact OG-N 3.09Å
112	S	95.2	Very high	87.8	Confident	10 Å²	10	73 Å²	73	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.3	-177.3	69.8	0	0	0	0	115.1	S25 K83 K108 S109	S25-S112 CarbonylContact O-C 3.55Å; S25-S112 VanDerWaalsContact O-CA 3.28Å; S25-S112 WeakPolarHBondContact O-CA 3.28Å; S25-S112 WeakPolarHBondContact OG-CB 3.3Å; K83-S112 WeakPolarHBondContact CE-O 3.25Å; K83-S112 VanDerWaalsContact NZ-C 3.31Å; K83-S112 PolarHBondContact NZ-O 2.99Å; K108-S112 WeakPolarHBondContact CB-OG 3.45Å; K108-S112 PolarHBondContact N-O 2.86Å; S109-S112 WeakPolarHBondContact CB-OG 3.24Å; S109-S112 PolarHBondContact N-O 3.31Å; S109-S112 PolarHBondContact N-OG 3.19Å; S109-S112 PolarHBondContact O-N 3.38Å; S109-S112 PolarHBondContact OG-N 3.22Å; S109-S112 PolarHBondContact OG-OG 3.49Å
113	Y	96.5	Very high	86.3	Confident	22 Å²	22	71.5 Å²	71.5	9%	0.086	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	156.9	164.3	-75.2	-59.7	0	0	0	110.7	S25 I26 C27 K83 L86 K87 V105 V106 A107	S25-Y113 PolarHBondContact O-N 3.48Å; I26-Y113 WeakPolarHBondContact CA-O 3.49Å; C27-Y113 PolarHBondContact N-O 3.02Å; K83-Y113 HydrophobicContact CB-CE2 4.45Å; K83-Y113 HydrophobicContact CD-CD2 4.33Å; K83-Y113 HydrophobicContact CD-CE2 3.91Å; K83-Y113 VanDerWaalsContact CE-CE2 3.47Å; K83-Y113 VanDerWaalsContact CE-CZ 3.49Å; K83-Y113 HydrophobicContact CG-CD2 3.84Å; K83-Y113 HydrophobicContact CG-CE2 3.21Å; K83-Y113 VanDerWaalsContact O-CE2 3.32Å; K83-Y113 WeakPolarHBondContact O-CE2 3.35Å; L86-Y113 HydrophobicContact CB-CD2 4.48Å; K87-Y113 HydrophobicContact CB-CD2 4.45Å; K87-Y113 HydrophobicContact CB-CE1 4.35Å; K87-Y113 HydrophobicContact CB-CE2 3.61Å; K87-Y113 HydrophobicContact CD-CE1 4.06Å; K87-Y113 HydrophobicContact CG-CE1 4.44Å; V105-Y113 HydrophobicContact CG1-CD1 3.96Å; V105-Y113 HydrophobicContact CG1-CG 3.92Å; V106-Y113 CarbonylContact O-C 3.59Å; V106-Y113 WeakPolarHBondContact O-CA 3.19Å; V106-Y113 WeakPolarHBondContact O-CD1 3.45Å; A107-Y113 HydrophobicContact CB-CD1 4.11Å; A107-Y113 HydrophobicContact CB-CE1 3.9Å
114	E	93.5	Very high	84.6	Confident	23 Å²	23	79.1 Å²	79.1	11%	0.107	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142	174.5	-177.4	172.5	-116.4	0	0	109	C27 V106 K108 R116	C27-E114 HydrophobicContact CB-CG 4.5Å; C27-E114 CarbonylContact O-C 3.58Å; C27-E114 VanDerWaalsContact O-CA 3.24Å; C27-E114 WeakPolarHBondContact O-CA 3.46Å; V106-E114 PolarHBondContact N-O 2.82Å; V106-E114 PolarHBondContact O-N 3.27Å; K108-E114 HydrophobicContact CB-CB 4.14Å; K108-E114 HydrophobicContact CD-CB 4.49Å; K108-E114 IonicContact NZ-OE1 3.27Å; K108-E114 PolarHBondContact NZ-OE1 3.27Å; E114-R116 HydrophobicContact CG-CG 4.32Å; E114-R116 IonicContact OE2-CZ 3.48Å; E114-R116 IonicContact OE2-NE 3.06Å; E114-R116 PolarHBondContact OE2-NE 3.49Å; E114-R116 IonicContact OE2-NH2 2.63Å; E114-R116 PolarHBondContact OE2-NH2 3.13Å
115	F	92.6	Very high	82.8	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.2	166.4	-63.6	-14.6	0	0	0	109.1	I26 C27 I28 S29 V38 L43 T90 L94 R104 V105	I26-F115 HydrophobicContact CG2-CE1 4.01Å; I26-F115 HydrophobicContact CG2-CZ 4.08Å; C27-F115 PolarHBondContact O-N 3.25Å; I28-F115 HydrophobicContact CG1-CD2 4.1Å; I28-F115 HydrophobicContact CG1-CE2 4.25Å; I28-F115 HydrophobicContact CG2-CD2 4.43Å; S29-F115 WeakPolarHBondContact CB-O 3.39Å; S29-F115 PolarHBondContact OG-O 3.04Å; V38-F115 HydrophobicContact CG1-CE2 4.19Å; L43-F115 HydrophobicContact CD2-CE2 3.88Å; L43-F115 HydrophobicContact CD2-CZ 3.82Å; T90-F115 HydrophobicContact CG2-CE1 4.19Å; T90-F115 HydrophobicContact CG2-CZ 4.13Å; L94-F115 HydrophobicContact CD1-CE1 4.48Å; L94-F115 HydrophobicContact CD2-CE2 4.48Å; R104-F115 WeakPolarHBondContact O-CA 3.45Å; V105-F115 HydrophobicContact CB-CD1 4.41Å; V105-F115 HydrophobicContact CB-CE1 4.46Å; V105-F115 HydrophobicContact CG1-CD1 4.34Å; V105-F115 HydrophobicContact CG1-CE1 4.21Å; V105-F115 HydrophobicContact CG2-CD1 3.84Å; V105-F115 HydrophobicContact CG2-CE1 3.66Å
116	R	89.4	Confident	81	Confident	104 Å²	104	87.1 Å²	87.1	39%	0.392	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.4	175.6	-64.7	-169.9	-179.6	-175.7	-2.1	109.3	L103 R104 V106 E114	L103-R116 WeakPolarHBondContact CA-O 3.42Å; R104-R116 HydrophobicContact CG-CB 4.18Å; R104-R116 WeakPolarHBondContact CG-O 3.22Å; R104-R116 PolarHBondContact N-O 2.91Å; R104-R116 PolarHBondContact O-N 3.04Å; V106-R116 HydrophobicContact CB-CG 4.46Å; V106-R116 HydrophobicContact CG2-CB 4.35Å; V106-R116 HydrophobicContact CG2-CG 4.31Å; E114-R116 HydrophobicContact CG-CG 4.32Å; E114-R116 IonicContact OE2-CZ 3.48Å; E114-R116 IonicContact OE2-NE 3.06Å; E114-R116 PolarHBondContact OE2-NE 3.49Å; E114-R116 IonicContact OE2-NH2 2.63Å; E114-R116 PolarHBondContact OE2-NH2 3.13Å
117	F	89.6	Confident	79.2	Confident	57 Å²	57	92.9 Å²	92.9	25%	0.25	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	151.7	167.3	-72	-74.2	0	0	0	110.5	V32 E35 I37 F102 L103	V32-F117 HydrophobicContact CB-CE2 4.37Å; V32-F117 HydrophobicContact CB-CZ 4.36Å; V32-F117 HydrophobicContact CG2-CD2 3.97Å; V32-F117 HydrophobicContact CG2-CE1 4.25Å; V32-F117 HydrophobicContact CG2-CE2 3.45Å; V32-F117 VanDerWaalsContact CG2-CE2 3.45Å; V32-F117 HydrophobicContact CG2-CZ 3.62Å; E35-F117 WeakPolarHBondContact OE2-CZ 3Å; I37-F117 HydrophobicContact CD1-CE1 4Å; I37-F117 HydrophobicContact CD1-CZ 4.02Å; F102-F117 CarbonylContact O-C 3.53Å; F102-F117 VanDerWaalsContact O-CA 3.25Å; F102-F117 WeakPolarHBondContact O-CA 3.35Å; L103-F117 HydrophobicContact CD2-CD1 3.58Å; L103-F117 HydrophobicContact CD2-CE1 3.63Å; L103-F117 HydrophobicContact CD2-CG 4.14Å; L103-F117 HydrophobicContact CD2-CZ 4.23Å
118	F	86.5	Confident	77.1	Confident	46 Å²	46	99.3 Å²	99.3	20%	0.202	49%	0.492	C	S	.	.			trans	-70.7	143	160.1	-68.2	-77.3	0	0	0	109.1	R100 D101 F102 R104 F120 E123	R100-F118 VanDerWaalsContact O-CE2 3.23Å; R100-F118 WeakPolarHBondContact O-CE2 3.12Å; D101-F118 WeakPolarHBondContact O-CD2 3.38Å; F102-F118 VanDerWaalsContact C-CD2 3.43Å; F102-F118 WeakPolarHBondContact O-CD2 3.44Å; F102-F118 PolarHBondContact O-N 3.24Å; R104-F118 HydrophobicContact CB-CD1 4.45Å; R104-F118 HydrophobicContact CB-CE1 3.85Å; R104-F118 HydrophobicContact CB-CE2 4.14Å; R104-F118 HydrophobicContact CB-CZ 3.68Å; R104-F118 HydrophobicContact CG-CD1 4.28Å; R104-F118 HydrophobicContact CG-CE1 4.14Å; R104-F118 HydrophobicContact CG-CZ 4.36Å; F118-F120 HydrophobicContact CB-CE1 4.4Å; F118-F120 HydrophobicContact CB-CZ 4.35Å; F118-F120 PolarHBondContact O-N 2.98Å; F118-E123 WeakPolarHBondContact CD1-OE2 3.25Å
119	N	79.9	Confident	74.7	Confident	93 Å²	93	102.5 Å²	102.5	50%	0.497	51%	0.509	S	S	.	.			trans	-94.4	91.6	169.4	-101	65.4	0	0	0	105.5	E121 N122	N119-E121 PolarHBondContact O-N 3.02Å; N119-N122 PolarHBondContact O-N 3.49Å; N119-N122 VanDerWaalsContact O-N 3.09Å
120	F	66.6	Low	72.2	Confident	129 Å²	129	109 Å²	109	57%	0.566	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-57	-20	-179.2	-65.5	-73.6	0	0	0	113.1	D101 F102 F118 N122	D101-F120 VanDerWaalsContact O-CZ 3.3Å; D101-F120 WeakPolarHBondContact O-CZ 3.36Å; F102-F120 HydrophobicContact CD1-CE2 4.45Å; F102-F120 HydrophobicContact CD1-CZ 4.18Å; F118-F120 HydrophobicContact CB-CE1 4.4Å; F118-F120 HydrophobicContact CB-CZ 4.35Å; F118-F120 PolarHBondContact O-N 2.98Å; F120-N122 PolarHBondContact O-N 3.33Å
121	E	65.8	Low	69.9	Low	177 Å²	177	111.7 Å²	111.7	83%	0.827	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-70.6	-7.7	178.8	-143.1	152	-157.7	0	0	114.2	N119	N119-E121 PolarHBondContact O-N 3.02Å
122	N	58.9	Low	68.6	Low	127 Å²	127	113.4 Å²	113.4	68%	0.679	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-131.6	2.5	-175.9	-67.5	-41	0	0	0	115.6	N119 F120	N119-N122 PolarHBondContact O-N 3.49Å; N119-N122 VanDerWaalsContact O-N 3.09Å; F120-N122 PolarHBondContact O-N 3.33Å
123	E	56.6	Low	67.2	Low	68 Å²	68	118.8 Å²	118.8	32%	0.318	59%	0.588	S	S	.	*			trans	-117.5	0	-163.6	-136.3	158.5	-175.6	0	0	115.1	R104 F118 T125	R104-E123 IonicContact NH1-OE1 3.02Å; R104-E123 IonicContact NH1-OE2 2.99Å; F118-E123 WeakPolarHBondContact CD1-OE2 3.25Å; E123-T125 PolarHBondContact O-N 2.89Å
124	D	55.6	Low	65.6	Low	162 Å²	162	124.2 Å²	124.2	87%	0.866	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	25.4	173.7	-77.6	-25.5	0	0	0	113.6
125	T	53.6	Low	64	Low	123 Å²	123	130.1 Å²	130.1	76%	0.755	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	-8.2	-173.7	-48.2	0	0	0	0	115.8	E123	E123-T125 PolarHBondContact O-N 2.89Å
126	D	55.4	Low	62.2	Low	140 Å²	140	138.3 Å²	138.3	75%	0.749	69%	0.686	S	S	*	*	S	Bend	trans	-114.4	6.1	-170.3	-83.1	-28.8	0	0	0	116
127	D	56.1	Low	60.4	Low	160 Å²	160	140.5 Å²	140.5	86%	0.856	71%	0.706	S	S	*	*	S	Bend	trans	-105	15.4	-177	-86.7	-45.5	0	0	0	115
128	E	51.6	Low	58.3	Low	195 Å²	195	146.5 Å²	146.5	91%	0.911	74%	0.738	S	S	*	*	S	Bend	trans	-105.7	3.9	179.4	-70.5	-162.8	166.8	0	0	116.8
129	E	43.4	Very low	56.1	Low	191 Å²	191	154.2 Å²	154.2	89%	0.893	78%	0.78	S	S	*	*			trans	-127.1	82.8	-179.8	-73.1	-170.4	166.9	0	0	114.6
130	E	41.5	Very low	54.1	Low	199 Å²	199	159.3 Å²	159.3	93%	0.93	80%	0.803	S	S	*	*			trans	-174.8	80.4	140.3	-114.2	-178	169.2	0	0	110.8
131	N	44.4	Very low	53	Low	241 Å²	241	162.1 Å²	162.1	100%	1.289	83%	0.825	S	S	*	*			trans	-155.9	0	149.3	-134.6	21.6	0	0	0	111

Retrieved 131 of 131 residues in 41.6 ms (Link to these results)

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