RL22_STAA8 Loading...

Large ribosomal subunit protein uL22

This protein binds specifically to 23S rRNA; its binding is stimulated by other ribosomal proteins, e.g. L4, L17, and L20. It is important during the early stages of 50S assembly. It makes multiple contacts with different domains of the 23S rRNA in the assembled 50S subunit and ribosome (By similarity). The globular domain of the protein is located near the polypeptide exit tunnel on the outside of the subunit, while an extended beta-hairpin is found that lines the wall of the exit tunnel in the center of the 70S ribosome.

AlphaFold DB , UniProt , Accession Q2FW11, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rplV, Length 117 aa.

						>RL22_STAA8|Q2FW11|rplV
MEAKAVARTIRIAPRKVRLVLDLIRGKNAAEAIAILKLTNKASSPVIEKVLMSALANAEHNYDMNTDELVVKEAYANEGPTLKRFRPRAQGRASAINKRTSHITIVVSDGKEEAKEA
					

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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	86.8	Confident	94.7	Very high	59 Å²	59	80.9 Å²	80.9	29%	0.291	37%	0.372	S	S	.	.				0	163.3	0	-159.5	174.6	-146.8	0	0	109.1	Y62 M64 S108 D109 K111	M1-Y62 HydrophobicContact CE-CD1 3.41Å; M1-Y62 VanDerWaalsContact CE-CD1 3.41Å; M1-Y62 HydrophobicContact CE-CE1 3.95Å; M1-Y62 HydrophobicContact CE-CG 4.35Å; M1-Y62 HydrophobicContact CG-CD1 4.24Å; M1-Y62 HydrophobicContact SD-CD1 3.65Å; M1-Y62 HydrophobicContact SD-CG 4.02Å; M1-M64 HydrophobicContact CB-CE 3.4Å; M1-M64 VanDerWaalsContact CB-CE 3.4Å; M1-M64 HydrophobicContact CB-SD 4.41Å; M1-M64 HydrophobicContact CG-CE 3.38Å; M1-M64 HydrophobicContact SD-CE 3.67Å; M1-S108 WeakPolarHBondContact O-CA 3.42Å; M1-S108 WeakPolarHBondContact O-CB 3.47Å; M1-S108 PolarHBondContact O-OG 2.99Å; M1-D109 PolarHBondContact N-OD1 3.49Å; M1-K111 PolarHBondContact N-O 2.85Å
2	E	91.7	Very high	94.8	Very high	68 Å²	68	76.8 Å²	76.8	32%	0.318	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136	-177.4	61.3	-170.1	-179	0	0	113.2	K72 V106 V107 K115	E2-K72 IonicContact OE2-NZ 2.81Å; E2-K72 PolarHBondContact OE2-NZ 2.89Å; E2-V106 HydrophobicContact CB-CG1 4.06Å; E2-V107 WeakPolarHBondContact CA-O 3.45Å; E2-K115 IonicContact OE1-NZ 3.13Å; E2-K115 PolarHBondContact OE1-NZ 3.27Å; E2-K115 VanDerWaalsContact OE1-NZ 3.13Å
3	A	94.5	Very high	94.9	Very high	2 Å²	2	72.5 Å²	72.5	2%	0.017	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.8	174.7	0	0	0	0	0	110.2	N57 A58 Y62 V106 V107	A3-N57 HydrophobicContact CB-CB 4.46Å; A3-A58 HydrophobicContact CB-CB 3.64Å; A3-Y62 HydrophobicContact CB-CD2 3.95Å; A3-Y62 HydrophobicContact CB-CE2 3.98Å; A3-V106 CarbonylContact O-C 3.55Å; A3-V106 WeakPolarHBondContact O-CA 3.49Å; A3-V107 HydrophobicContact CB-CG2 3.91Å; A3-V107 PolarHBondContact N-O 2.76Å; A3-V107 PolarHBondContact O-N 3.32Å
4	K	95	Very high	95	Very high	144 Å²	144	68.4 Å²	68.4	63%	0.626	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.1	-176.8	71.2	-173.6	178.6	-167	0	112.5	N57 I105 V106	K4-N57 PolarHBondContact O-ND2 2.97Å; K4-I105 WeakPolarHBondContact CA-O 3.14Å; K4-V106 HydrophobicContact CB-CG2 4.06Å
5	A	97.2	Very high	95.1	Very high	6 Å²	6	75.3 Å²	75.3	5%	0.05	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.4	166.3	0	0	0	0	0	110.6	V50 A54 T104 I105	A5-V50 HydrophobicContact CB-CG1 3.95Å; A5-V50 WeakPolarHBondContact CB-O 3.34Å; A5-A54 HydrophobicContact CB-CB 3.76Å; A5-T104 WeakPolarHBondContact O-CA 3.3Å; A5-I105 PolarHBondContact N-O 3.18Å; A5-I105 PolarHBondContact O-N 3.41Å
6	V	97.4	Very high	95.2	Very high	68 Å²	68	78.9 Å²	78.9	41%	0.412	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.3	-177.9	-175.4	0	0	0	0	109.8	R8 I103 T104	V6-R8 HydrophobicContact CG1-CG 3.93Å; V6-I103 CarbonylContact C-O 3.58Å; V6-I103 VanDerWaalsContact CA-O 3.27Å; V6-I103 WeakPolarHBondContact CA-O 3.37Å; V6-T104 HydrophobicContact CG2-CG2 3.94Å
7	A	97.1	Very high	95.4	Very high	26 Å²	26	74.3 Å²	74.3	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.8	167.7	0	0	0	0	0	110.4	I10 V50 H102 I103	A7-I10 HydrophobicContact CB-CD1 3.44Å; A7-I10 VanDerWaalsContact CB-CD1 3.44Å; A7-I10 HydrophobicContact CB-CG1 4.21Å; A7-V50 HydrophobicContact CB-CG2 3.44Å; A7-V50 VanDerWaalsContact CB-CG2 3.44Å; A7-H102 CarbonylContact O-C 3.48Å; A7-H102 WeakPolarHBondContact O-CA 3.48Å; A7-I103 PolarHBondContact N-O 3.32Å; A7-I103 PolarHBondContact O-N 2.96Å
8	R	95.9	Very high	95.5	Very high	194 Å²	194	76.7 Å²	76.7	73%	0.732	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.7	-173.4	-64.8	-175.2	174.6	163.9	-2.2	112.3	V6 I10 H102	V6-R8 HydrophobicContact CG1-CG 3.93Å; R8-I10 VanDerWaalsContact C-N 3.3Å; R8-I10 PolarHBondContact O-N 2.92Å; R8-H102 WeakPolarHBondContact CA-ND1 3.24Å; R8-H102 VanDerWaalsContact CB-ND1 3.3Å; R8-H102 WeakPolarHBondContact CB-ND1 3.39Å
9	T	94.8	Very high	95.5	Very high	76 Å²	76	78.9 Å²	78.9	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.8	37.2	170.5	-42.8	0	0	0	0	113.1	R11 T100 S101 H102	T9-R11 PolarHBondContact O-N 3.15Å; T9-T100 HydrophobicContact CG2-CG2 4.42Å; T9-S101 PolarHBondContact N-O 3.33Å; T9-H102 PolarHBondContact N-CE1 2.7Å; T9-H102 PolarHBondContact N-ND1 3.31Å; T9-H102 VanDerWaalsContact N-ND1 3.18Å
10	I	96.3	Very high	95.6	Very high	24 Å²	24	75.1 Å²	75.1	12%	0.123	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.6	175.1	-68.1	162	0	0	0	108.5	A7 R8 I12 V46 T100 S101 I103	A7-I10 HydrophobicContact CB-CD1 3.44Å; A7-I10 VanDerWaalsContact CB-CD1 3.44Å; A7-I10 HydrophobicContact CB-CG1 4.21Å; R8-I10 VanDerWaalsContact C-N 3.3Å; R8-I10 PolarHBondContact O-N 2.92Å; I10-I12 HydrophobicContact CG2-CB 4.04Å; I10-I12 HydrophobicContact CG2-CD1 3.97Å; I10-I12 HydrophobicContact CG2-CG1 3.82Å; I10-I12 PolarHBondContact O-N 2.77Å; I10-V46 HydrophobicContact CD1-CG1 3.43Å; I10-V46 VanDerWaalsContact CD1-CG1 3.43Å; I10-V46 HydrophobicContact CG1-CG1 4.04Å; I10-V46 HydrophobicContact CG2-CG1 4.11Å; I10-T100 CarbonylContact O-C 3.53Å; I10-T100 WeakPolarHBondContact O-CA 3.43Å; I10-T100 VanDerWaalsContact O-CB 3.23Å; I10-T100 WeakPolarHBondContact O-CB 3.23Å; I10-S101 PolarHBondContact N-O 2.9Å; I10-S101 PolarHBondContact O-N 3.18Å; I10-I103 HydrophobicContact CD1-CB 4.1Å; I10-I103 HydrophobicContact CD1-CD1 3.41Å; I10-I103 VanDerWaalsContact CD1-CD1 3.41Å; I10-I103 HydrophobicContact CD1-CG1 3.54Å
11	R	95.3	Very high	95.7	Very high	223 Å²	223	71.5 Å²	71.5	84%	0.842	33%	0.325	S	S	*	.	S	Bend	trans	-76.2	45.4	-178.3	-63.8	-173.7	-178.7	-173.7	2.4	113.4	T9 T100	T9-R11 PolarHBondContact O-N 3.15Å; R11-T100 HydrophobicContact CG-CG2 4.46Å
12	I	95.6	Very high	96.2	Very high	31 Å²	31	72.4 Å²	72.4	16%	0.159	33%	0.332	C	S	.	.	S	Bend	trans	-128.6	141.7	175	-55.7	176.6	0	0	0	107.5	I10 K16 V17 V46 T100 S101	I10-I12 HydrophobicContact CG2-CB 4.04Å; I10-I12 HydrophobicContact CG2-CD1 3.97Å; I10-I12 HydrophobicContact CG2-CG1 3.82Å; I10-I12 PolarHBondContact O-N 2.77Å; I12-K16 HydrophobicContact CG2-CB 3.96Å; I12-V17 HydrophobicContact CB-CG2 3.93Å; I12-V17 HydrophobicContact CG2-CG2 3.61Å; I12-V46 HydrophobicContact CD1-CG2 4.25Å; I12-T100 CarbonylContact O-C 3.5Å; I12-S101 WeakPolarHBondContact O-CB 3.39Å; I12-S101 PolarHBondContact O-N 3.21Å; I12-S101 PolarHBondContact O-OG 2.92Å
13	A	96.3	Very high	96.4	Very high	22 Å²	22	73 Å²	73	18%	0.182	34%	0.336	C	S	.	.			trans	-67.4	138.1	177.1	0	0	0	0	0	110.6	R15 K16 V17 R99	A13-R15 HydrophobicContact CB-CG 4.35Å; A13-R15 PolarHBondContact O-N 3.29Å; A13-R15 VanDerWaalsContact O-N 3.11Å; A13-K16 PolarHBondContact O-N 2.62Å; A13-V17 PolarHBondContact O-N 3.36Å; A13-R99 HydrophobicContact CB-CB 4.22Å
14	P	96.9	Very high	96.5	Very high	15 Å²	15	72.9 Å²	72.9	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-56.8	-36.2	-175.3	20.5	-32.8	0	0	0	112.5	K16 V17 R18 E78	P14-K16 VanDerWaalsContact C-N 3.28Å; P14-K16 PolarHBondContact O-N 3.15Å; P14-V17 PolarHBondContact O-N 2.78Å; P14-R18 WeakPolarHBondContact O-CG 3.45Å; P14-R18 PolarHBondContact O-N 2.81Å; P14-E78 HydrophobicContact CG-CB 4.4Å
15	R	96.2	Very high	96.5	Very high	172 Å²	172	71.5 Å²	71.5	65%	0.649	33%	0.326	S	S	*	.	H	α-helix	trans	-56.9	-38	175.6	76.8	175.7	70.6	165.3	-2.8	113.7	A13	A13-R15 HydrophobicContact CB-CG 4.35Å; A13-R15 PolarHBondContact O-N 3.29Å; A13-R15 VanDerWaalsContact O-N 3.11Å
16	K	96.5	Very high	96.4	Very high	133 Å²	133	73.8 Å²	73.8	58%	0.578	35%	0.351	S	S	*	.	H	α-helix	trans	-76.3	-32.8	-177.4	-68.8	-171.6	175.6	-171.4	0	110.8	I12 A13 P14 S43	I12-K16 HydrophobicContact CG2-CB 3.96Å; A13-K16 PolarHBondContact O-N 2.62Å; P14-K16 VanDerWaalsContact C-N 3.28Å; P14-K16 PolarHBondContact O-N 3.15Å; K16-S43 PolarHBondContact O-OG 3.02Å
17	V	97.6	Very high	96.3	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.4	-46.4	175.5	179.4	0	0	0	0	110.8	I12 A13 P14 L19 V20 L21 I47 A76 I103	I12-V17 HydrophobicContact CB-CG2 3.93Å; I12-V17 HydrophobicContact CG2-CG2 3.61Å; A13-V17 PolarHBondContact O-N 3.36Å; P14-V17 PolarHBondContact O-N 2.78Å; V17-L19 VanDerWaalsContact C-N 3.28Å; V17-L19 PolarHBondContact O-N 2.94Å; V17-V20 PolarHBondContact O-N 3.48Å; V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 4Å; V17-L21 PolarHBondContact O-N 2.89Å; V17-I47 HydrophobicContact CG1-CD1 4.01Å; V17-I47 HydrophobicContact CG1-CG1 4.35Å; V17-A76 HydrophobicContact CB-CB 3.99Å; V17-A76 HydrophobicContact CG1-CB 3.71Å; V17-I103 HydrophobicContact CB-CD1 4.45Å; V17-I103 HydrophobicContact CG1-CD1 3.37Å; V17-I103 HydrophobicContact CG1-CG1 3.74Å; V17-I103 HydrophobicContact CG2-CD1 4.21Å
18	R	97.4	Very high	96.2	Very high	118 Å²	118	75 Å²	75	45%	0.445	35%	0.348	S	S	.	.	H	α-helix	trans	-53.9	-43.4	-179.7	-72.6	174.2	-168.8	175.3	-1.3	112.5	P14 V20 L21 D22 A76	P14-R18 WeakPolarHBondContact O-CG 3.45Å; P14-R18 PolarHBondContact O-N 2.81Å; R18-V20 PolarHBondContact O-N 3.27Å; R18-L21 PolarHBondContact O-N 3.19Å; R18-D22 PolarHBondContact O-N 3.39Å; R18-D22 VanDerWaalsContact O-OD2 3.08Å; R18-A76 HydrophobicContact CG-CB 4.07Å; R18-A76 PolarHBondContact NE-O 2.79Å; R18-A76 PolarHBondContact NH2-O 2.96Å
19	L	96.6	Very high	96.2	Very high	118 Å²	118	65.9 Å²	65.9	62%	0.618	31%	0.314	S	S	*	.	H	α-helix	trans	-52.5	-32.2	175.8	-72.5	172.8	0	0	0	114.1	V17	V17-L19 VanDerWaalsContact C-N 3.28Å; V17-L19 PolarHBondContact O-N 2.94Å
20	V	96.9	Very high	96.2	Very high	2 Å²	2	65 Å²	65	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-90	-36.5	177.6	-179.4	0	0	0	0	111.3	V17 R18 D22 L23 L36 T39 K41 S43 I47	V17-V20 PolarHBondContact O-N 3.48Å; R18-V20 PolarHBondContact O-N 3.27Å; V20-D22 PolarHBondContact O-N 2.85Å; V20-L23 WeakPolarHBondContact O-CB 3.05Å; V20-L23 PolarHBondContact O-N 3.39Å; V20-L23 VanDerWaalsContact O-N 3.11Å; V20-L36 HydrophobicContact CG1-CD2 3.53Å; V20-T39 HydrophobicContact CG1-CG2 4.37Å; V20-T39 HydrophobicContact CG2-CG2 4.25Å; V20-K41 HydrophobicContact CG2-CB 3.72Å; V20-K41 HydrophobicContact CG2-CG 3.81Å; V20-S43 WeakPolarHBondContact CG2-OG 3.4Å; V20-I47 HydrophobicContact CB-CD1 3.58Å; V20-I47 HydrophobicContact CG1-CD1 3.54Å
21	L	97.6	Very high	96.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-34.4	174.9	-66.4	176.8	0	0	0	112.5	V17 R18 L23 I24 R25 I47 A74 A76 I103 I105	V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 4Å; V17-L21 PolarHBondContact O-N 2.89Å; R18-L21 PolarHBondContact O-N 3.19Å; L21-L23 PolarHBondContact O-N 3.13Å; L21-I24 HydrophobicContact CD2-CD1 4.18Å; L21-I24 VanDerWaalsContact O-CG1 3.27Å; L21-I24 WeakPolarHBondContact O-CG1 3.48Å; L21-I24 PolarHBondContact O-N 3.22Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-R25 VanDerWaalsContact O-N 3.13Å; L21-I47 HydrophobicContact CD2-CD1 3.78Å; L21-I47 HydrophobicContact CD2-CG1 3.91Å; L21-I47 HydrophobicContact CD2-CG2 3.74Å; L21-I47 HydrophobicContact CG-CD1 4Å; L21-A74 HydrophobicContact CB-CB 4.12Å; L21-A74 HydrophobicContact CD2-CB 4.15Å; L21-A76 HydrophobicContact CD1-CB 3.81Å; L21-I103 HydrophobicContact CD1-CG2 4.33Å; L21-I103 HydrophobicContact CD2-CG2 4.16Å; L21-I105 HydrophobicContact CD2-CD1 4.32Å; L21-I105 HydrophobicContact CD2-CG1 4.33Å
22	D	96.7	Very high	96.3	Very high	79 Å²	79	57.7 Å²	57.7	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-25.1	177.1	-65.5	-34	0	0	0	112.3	R18 V20 R25	R18-D22 PolarHBondContact O-N 3.39Å; R18-D22 VanDerWaalsContact O-OD2 3.08Å; V20-D22 PolarHBondContact O-N 2.85Å; D22-R25 IonicContact OD1-CZ 2.79Å; D22-R25 IonicContact OD1-NH1 2.74Å; D22-R25 PolarHBondContact OD1-NH1 2.95Å; D22-R25 IonicContact OD1-NH2 3.17Å; D22-R25 PolarHBondContact OD1-NH2 2.74Å
23	L	96.3	Very high	96.3	Very high	79 Å²	79	57.4 Å²	57.4	41%	0.414	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-25.7	177.4	-61.4	175.1	0	0	0	113.2	V20 L21 K27 I35 T39	V20-L23 WeakPolarHBondContact O-CB 3.05Å; V20-L23 PolarHBondContact O-N 3.39Å; V20-L23 VanDerWaalsContact O-N 3.11Å; L21-L23 PolarHBondContact O-N 3.13Å; L23-K27 WeakPolarHBondContact O-CD 3.4Å; L23-K27 WeakPolarHBondContact O-CE 3.28Å; L23-I35 HydrophobicContact CB-CG2 4.12Å; L23-T39 HydrophobicContact CD1-CG2 4.14Å
24	I	96.7	Very high	96.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-105.6	-12.5	-174.7	63.2	168.9	0	0	0	113.4	L21 G26 K27 A32 I35 L36 I47 V71 I105	L21-I24 HydrophobicContact CD2-CD1 4.18Å; L21-I24 VanDerWaalsContact O-CG1 3.27Å; L21-I24 WeakPolarHBondContact O-CG1 3.48Å; L21-I24 PolarHBondContact O-N 3.22Å; I24-G26 PolarHBondContact O-N 2.82Å; I24-K27 WeakPolarHBondContact O-CB 3.43Å; I24-K27 PolarHBondContact O-N 2.91Å; I24-A32 HydrophobicContact CB-CB 3.9Å; I24-A32 HydrophobicContact CG2-CB 3.97Å; I24-I35 HydrophobicContact CG2-CG2 4.39Å; I24-L36 HydrophobicContact CD1-CD1 4.27Å; I24-L36 HydrophobicContact CG2-CD1 4.22Å; I24-L36 HydrophobicContact CG2-CD2 3.99Å; I24-L36 HydrophobicContact CG2-CG 3.85Å; I24-I47 HydrophobicContact CD1-CG2 3.6Å; I24-V71 WeakPolarHBondContact O-CB 3.18Å; I24-I105 HydrophobicContact CD1-CD1 4.4Å
25	R	95.6	Very high	96.4	Very high	115 Å²	115	59.6 Å²	59.6	43%	0.434	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	131.1	-179.9	-171.2	-176.4	-62.7	124.8	8.5	110.2	L21 D22 K27 A74	L21-R25 PolarHBondContact O-N 2.91Å; L21-R25 VanDerWaalsContact O-N 3.13Å; D22-R25 IonicContact OD1-CZ 2.79Å; D22-R25 IonicContact OD1-NH1 2.74Å; D22-R25 PolarHBondContact OD1-NH1 2.95Å; D22-R25 IonicContact OD1-NH2 3.17Å; D22-R25 PolarHBondContact OD1-NH2 2.74Å; R25-K27 PolarHBondContact O-N 2.94Å; R25-A74 PolarHBondContact NH2-O 2.88Å
26	G	94.7	Very high	96.4	Very high	55 Å²	55	51.5 Å²	51.5	57%	0.567	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	4.6	179.4	0	0	0	0	0	114.8	I24 V71	I24-G26 PolarHBondContact O-N 2.82Å; G26-V71 WeakPolarHBondContact CA-O 3.46Å; G26-V71 PolarHBondContact N-O 3.2Å
27	K	95.7	Very high	96.4	Very high	64 Å²	64	51.9 Å²	51.9	28%	0.278	27%	0.274	S	S	.	.	S	Bend	trans	-94.2	154.6	178.5	-61.1	-167.6	169.1	-150.2	0	111.7	L23 I24 R25 E31 A32 I35 V71	L23-K27 WeakPolarHBondContact O-CD 3.4Å; L23-K27 WeakPolarHBondContact O-CE 3.28Å; I24-K27 WeakPolarHBondContact O-CB 3.43Å; I24-K27 PolarHBondContact O-N 2.91Å; R25-K27 PolarHBondContact O-N 2.94Å; K27-E31 HydrophobicContact CD-CG 4.44Å; K27-E31 WeakPolarHBondContact CD-OE1 3.42Å; K27-E31 WeakPolarHBondContact CE-OE1 3.28Å; K27-E31 IonicContact NZ-OE1 2.82Å; K27-E31 PolarHBondContact NZ-OE1 3.2Å; K27-A32 HydrophobicContact CB-CB 4.46Å; K27-I35 HydrophobicContact CD-CD1 3.24Å; K27-V71 PolarHBondContact O-N 2.85Å
28	N	95.5	Very high	96.4	Very high	55 Å²	55	59.2 Å²	59.2	29%	0.294	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-61.3	146.9	169.8	-177.2	-64.4	0	0	0	109.7	A30 E31 A32 D67	N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 2.99Å; N28-A30 PolarHBondContact OD1-N 3.02Å; N28-E31 PolarHBondContact O-N 3.36Å; N28-A32 WeakPolarHBondContact O-CB 3.4Å; N28-A32 PolarHBondContact O-N 3.3Å; N28-D67 PolarHBondContact ND2-O 2.94Å
29	A	94.6	Very high	96.3	Very high	2 Å²	2	55 Å²	55	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-48.5	-47.6	178.3	0	0	0	0	0	113.3	A32 I33 L55 L69	A29-A32 PolarHBondContact O-N 2.98Å; A29-I33 WeakPolarHBondContact O-CD1 3.5Å; A29-I33 VanDerWaalsContact O-CG1 3.27Å; A29-I33 WeakPolarHBondContact O-CG1 3.44Å; A29-I33 PolarHBondContact O-N 3.09Å; A29-L55 HydrophobicContact CB-CD1 4.05Å; A29-L55 HydrophobicContact CB-CD2 3.62Å; A29-L55 HydrophobicContact CB-CG 4.47Å; A29-L69 HydrophobicContact CB-CB 4.3Å; A29-L69 WeakPolarHBondContact CB-O 3.45Å; A29-L69 PolarHBondContact N-O 3.13Å
30	A	95.1	Very high	96.2	Very high	58 Å²	58	56.9 Å²	56.9	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-44.1	-179	0	0	0	0	0	112.2	N28 I33 A34	N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 2.99Å; N28-A30 PolarHBondContact OD1-N 3.02Å; A30-I33 PolarHBondContact O-N 3.42Å; A30-A34 PolarHBondContact O-N 2.88Å; A30-A34 VanDerWaalsContact O-N 3.09Å
31	E	96	Very high	96.2	Very high	94 Å²	94	62.8 Å²	62.8	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-44.2	176.6	-165	-161	155.6	0	0	110.8	K27 N28 I33 A34 I35	K27-E31 HydrophobicContact CD-CG 4.44Å; K27-E31 WeakPolarHBondContact CD-OE1 3.42Å; K27-E31 WeakPolarHBondContact CE-OE1 3.28Å; K27-E31 IonicContact NZ-OE1 2.82Å; K27-E31 PolarHBondContact NZ-OE1 3.2Å; N28-E31 PolarHBondContact O-N 3.36Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.41Å; E31-A34 PolarHBondContact O-N 3.3Å; E31-I35 HydrophobicContact CG-CD1 3.9Å; E31-I35 WeakPolarHBondContact O-CD1 3.39Å; E31-I35 VanDerWaalsContact O-CG1 3.28Å; E31-I35 WeakPolarHBondContact O-CG1 3.37Å; E31-I35 PolarHBondContact O-N 3.36Å
32	A	97.1	Very high	96	Very high	0 Å²	0	67 Å²	67	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-43.8	177.9	0	0	0	0	0	111.8	I24 K27 N28 A29 I35 L36 L51 V71	I24-A32 HydrophobicContact CB-CB 3.9Å; I24-A32 HydrophobicContact CG2-CB 3.97Å; K27-A32 HydrophobicContact CB-CB 4.46Å; N28-A32 WeakPolarHBondContact O-CB 3.4Å; N28-A32 PolarHBondContact O-N 3.3Å; A29-A32 PolarHBondContact O-N 2.98Å; A32-I35 PolarHBondContact O-N 2.87Å; A32-L36 VanDerWaalsContact O-CG 3.22Å; A32-L36 WeakPolarHBondContact O-CG 3.27Å; A32-L36 PolarHBondContact O-N 3.25Å; A32-L51 HydrophobicContact CB-CD2 3.73Å; A32-V71 HydrophobicContact CB-CG2 4.08Å
33	I	96.7	Very high	95.9	Very high	25 Å²	25	63.4 Å²	63.4	13%	0.128	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-45.2	175.5	-68.1	162.1	0	0	0	110.9	A29 A30 E31 I35 L36 K37 L51 M52 L55	A29-I33 WeakPolarHBondContact O-CD1 3.5Å; A29-I33 VanDerWaalsContact O-CG1 3.27Å; A29-I33 WeakPolarHBondContact O-CG1 3.44Å; A29-I33 PolarHBondContact O-N 3.09Å; A30-I33 PolarHBondContact O-N 3.42Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.41Å; I33-I35 PolarHBondContact O-N 3.02Å; I33-L36 PolarHBondContact O-N 3.29Å; I33-K37 HydrophobicContact CG2-CD 4.22Å; I33-K37 WeakPolarHBondContact O-CG 3.42Å; I33-K37 PolarHBondContact O-N 2.85Å; I33-L51 HydrophobicContact CG1-CD2 3.82Å; I33-L51 HydrophobicContact CG1-CG 4.49Å; I33-M52 HydrophobicContact CB-CE 4.28Å; I33-M52 HydrophobicContact CD1-CE 3.49Å; I33-M52 VanDerWaalsContact CD1-CE 3.49Å; I33-M52 HydrophobicContact CD1-SD 3.81Å; I33-M52 HydrophobicContact CG1-CE 3.69Å; I33-M52 HydrophobicContact CG1-SD 4.34Å; I33-M52 HydrophobicContact CG2-CE 3.56Å; I33-L55 HydrophobicContact CD1-CD1 3.76Å
34	A	97.1	Very high	95.9	Very high	49 Å²	49	59.8 Å²	59.8	41%	0.405	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-43.7	179.1	0	0	0	0	0	112.1	A30 E31 L36 K37 L38	A30-A34 PolarHBondContact O-N 2.88Å; A30-A34 VanDerWaalsContact O-N 3.09Å; E31-A34 PolarHBondContact O-N 3.3Å; A34-L36 VanDerWaalsContact C-N 3.34Å; A34-L36 PolarHBondContact O-N 3.46Å; A34-K37 PolarHBondContact O-N 3.11Å; A34-L38 PolarHBondContact O-N 3.32Å
35	I	97.3	Very high	95.9	Very high	33 Å²	33	63 Å²	63	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-44	176.2	-68.2	158.2	0	0	0	110.9	L23 I24 K27 E31 A32 I33 K37 L38 T39	L23-I35 HydrophobicContact CB-CG2 4.12Å; I24-I35 HydrophobicContact CG2-CG2 4.39Å; K27-I35 HydrophobicContact CD-CD1 3.24Å; E31-I35 HydrophobicContact CG-CD1 3.9Å; E31-I35 WeakPolarHBondContact O-CD1 3.39Å; E31-I35 VanDerWaalsContact O-CG1 3.28Å; E31-I35 WeakPolarHBondContact O-CG1 3.37Å; E31-I35 PolarHBondContact O-N 3.36Å; A32-I35 PolarHBondContact O-N 2.87Å; I33-I35 PolarHBondContact O-N 3.02Å; I35-K37 VanDerWaalsContact C-N 3.35Å; I35-K37 PolarHBondContact O-N 3.03Å; I35-L38 PolarHBondContact O-N 2.82Å; I35-T39 VanDerWaalsContact O-CB 3.28Å; I35-T39 WeakPolarHBondContact O-CB 3.4Å; I35-T39 PolarHBondContact O-N 3.36Å; I35-T39 PolarHBondContact O-OG1 3.34Å
36	L	96.9	Very high	96	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-38.9	179.9	-69.4	168.3	0	0	0	111.9	V20 I24 A32 I33 A34 L38 T39 S44 I47 E48 L51	V20-L36 HydrophobicContact CG1-CD2 3.53Å; I24-L36 HydrophobicContact CD1-CD1 4.27Å; I24-L36 HydrophobicContact CG2-CD1 4.22Å; I24-L36 HydrophobicContact CG2-CD2 3.99Å; I24-L36 HydrophobicContact CG2-CG 3.85Å; A32-L36 VanDerWaalsContact O-CG 3.22Å; A32-L36 WeakPolarHBondContact O-CG 3.27Å; A32-L36 PolarHBondContact O-N 3.25Å; I33-L36 PolarHBondContact O-N 3.29Å; A34-L36 VanDerWaalsContact C-N 3.34Å; A34-L36 PolarHBondContact O-N 3.46Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 2.85Å; L36-T39 PolarHBondContact O-N 3.12Å; L36-S44 VanDerWaalsContact C-OG 3.32Å; L36-S44 WeakPolarHBondContact CA-OG 3.47Å; L36-S44 PolarHBondContact O-OG 2.94Å; L36-I47 HydrophobicContact CD1-CG2 3.82Å; L36-I47 HydrophobicContact CD2-CB 4.05Å; L36-I47 HydrophobicContact CD2-CG2 3.68Å; L36-I47 HydrophobicContact CG-CG2 4.43Å; L36-E48 HydrophobicContact CB-CB 4.32Å; L36-E48 HydrophobicContact CD1-CB 4.26Å; L36-L51 HydrophobicContact CD1-CD2 3.91Å
37	K	96.4	Very high	96.1	Very high	140 Å²	140	57 Å²	57	61%	0.609	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-34.4	176.7	-73.8	177.6	178.8	178.6	0	113.1	I33 A34 I35 E48	I33-K37 HydrophobicContact CG2-CD 4.22Å; I33-K37 WeakPolarHBondContact O-CG 3.42Å; I33-K37 PolarHBondContact O-N 2.85Å; A34-K37 PolarHBondContact O-N 3.11Å; I35-K37 VanDerWaalsContact C-N 3.35Å; I35-K37 PolarHBondContact O-N 3.03Å; K37-E48 WeakPolarHBondContact CE-OE1 3.27Å
38	L	96.9	Very high	96.2	Very high	155 Å²	155	56.1 Å²	56.1	81%	0.812	32%	0.315	S	S	*	.	H	α-helix	trans	-91.3	-16.8	-179.1	-64.4	173.5	0	0	0	113.6	A34 I35 L36 N40	A34-L38 PolarHBondContact O-N 3.32Å; I35-L38 PolarHBondContact O-N 2.82Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 2.85Å; L38-N40 PolarHBondContact O-N 3.02Å
39	T	95.6	Very high	96.3	Very high	29 Å²	29	61 Å²	61	18%	0.178	33%	0.334	C	S	.	.			trans	-75.8	107.9	-178.1	-65.4	0	0	0	0	111	V20 L23 I35 L36 K41 S44	V20-T39 HydrophobicContact CG1-CG2 4.37Å; V20-T39 HydrophobicContact CG2-CG2 4.25Å; L23-T39 HydrophobicContact CD1-CG2 4.14Å; I35-T39 VanDerWaalsContact O-CB 3.28Å; I35-T39 WeakPolarHBondContact O-CB 3.4Å; I35-T39 PolarHBondContact O-N 3.36Å; I35-T39 PolarHBondContact O-OG1 3.34Å; L36-T39 PolarHBondContact O-N 3.12Å; T39-K41 HydrophobicContact CG2-CB 4.09Å; T39-K41 HydrophobicContact CG2-CG 3.71Å; T39-K41 PolarHBondContact O-N 3.32Å; T39-S44 WeakPolarHBondContact O-CB 3.32Å
40	N	95.3	Very high	96.4	Very high	158 Å²	158	61.3 Å²	61.3	85%	0.845	34%	0.336	S	S	*	.			trans	-75.6	71.6	177	-170.2	3.3	0	0	0	112.4	L38	L38-N40 PolarHBondContact O-N 3.02Å
41	K	95.9	Very high	96.5	Very high	126 Å²	126	58.6 Å²	58.6	55%	0.548	31%	0.313	S	S	.	.	S	Bend	trans	-137.5	142.1	173.5	-61.3	-65.5	176.4	-164	0	109.8	V20 T39 S43 S44	V20-K41 HydrophobicContact CG2-CB 3.72Å; V20-K41 HydrophobicContact CG2-CG 3.81Å; T39-K41 HydrophobicContact CG2-CB 4.09Å; T39-K41 HydrophobicContact CG2-CG 3.71Å; T39-K41 PolarHBondContact O-N 3.32Å; K41-S43 PolarHBondContact O-N 3.21Å; K41-S43 VanDerWaalsContact O-N 3.07Å; K41-S44 VanDerWaalsContact O-CB 3.26Å; K41-S44 WeakPolarHBondContact O-CB 3.36Å; K41-S44 PolarHBondContact O-N 3.37Å
42	A	94.5	Very high	96.5	Very high	87 Å²	87	57.7 Å²	57.7	72%	0.719	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.7	179.4	0	0	0	0	0	114.4
43	S	94.6	Very high	96.5	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.028	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-19.2	175.4	44.9	0	0	0	0	113.7	K16 V20 K41 V46 I47	K16-S43 PolarHBondContact O-OG 3.02Å; V20-S43 WeakPolarHBondContact CG2-OG 3.4Å; K41-S43 PolarHBondContact O-N 3.21Å; K41-S43 VanDerWaalsContact O-N 3.07Å; S43-V46 PolarHBondContact O-N 2.98Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.47Å; S43-I47 PolarHBondContact O-N 2.95Å
44	S	96.4	Very high	96.5	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-57.8	-54.2	-174.8	-143.1	0	0	0	0	114.2	L36 T39 K41 V46 I47 E48	L36-S44 VanDerWaalsContact C-OG 3.32Å; L36-S44 WeakPolarHBondContact CA-OG 3.47Å; L36-S44 PolarHBondContact O-OG 2.94Å; T39-S44 WeakPolarHBondContact O-CB 3.32Å; K41-S44 VanDerWaalsContact O-CB 3.26Å; K41-S44 WeakPolarHBondContact O-CB 3.36Å; K41-S44 PolarHBondContact O-N 3.37Å; S44-V46 PolarHBondContact O-N 3.08Å; S44-V46 VanDerWaalsContact O-N 3.14Å; S44-I47 PolarHBondContact O-N 3.03Å; S44-I47 VanDerWaalsContact O-N 3.14Å; S44-E48 WeakPolarHBondContact O-CB 3.49Å; S44-E48 PolarHBondContact O-N 2.85Å
45	P	96.6	Very high	96.5	Very high	68 Å²	68	57.4 Å²	57.4	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-22.5	-179.1	26	-36.2	0	0	0	113.2	K49	P45-K49 WeakPolarHBondContact O-CG 3.36Å; P45-K49 PolarHBondContact O-N 3.25Å
46	V	96.8	Very high	96.4	Very high	43 Å²	43	57.5 Å²	57.5	26%	0.261	31%	0.312	S	S	.	.	H	α-helix	trans	-76.8	-45.8	175.7	-176.7	0	0	0	0	110.1	I10 I12 S43 S44 E48 K49 V50 I103	I10-V46 HydrophobicContact CD1-CG1 3.43Å; I10-V46 VanDerWaalsContact CD1-CG1 3.43Å; I10-V46 HydrophobicContact CG1-CG1 4.04Å; I10-V46 HydrophobicContact CG2-CG1 4.11Å; I12-V46 HydrophobicContact CD1-CG2 4.25Å; S43-V46 PolarHBondContact O-N 2.98Å; S44-V46 PolarHBondContact O-N 3.08Å; S44-V46 VanDerWaalsContact O-N 3.14Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-K49 PolarHBondContact O-N 3.33Å; V46-V50 WeakPolarHBondContact O-CG2 3.28Å; V46-V50 PolarHBondContact O-N 3.46Å; V46-I103 HydrophobicContact CG1-CD1 4.25Å
47	I	97.4	Very high	96.4	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-40.6	178.1	-67.5	167.2	0	0	0	110.4	V17 V20 L21 I24 L36 S43 S44 K49 V50 L51 I103 I105	V17-I47 HydrophobicContact CG1-CD1 4.01Å; V17-I47 HydrophobicContact CG1-CG1 4.35Å; V20-I47 HydrophobicContact CB-CD1 3.58Å; V20-I47 HydrophobicContact CG1-CD1 3.54Å; L21-I47 HydrophobicContact CD2-CD1 3.78Å; L21-I47 HydrophobicContact CD2-CG1 3.91Å; L21-I47 HydrophobicContact CD2-CG2 3.74Å; L21-I47 HydrophobicContact CG-CD1 4Å; I24-I47 HydrophobicContact CD1-CG2 3.6Å; L36-I47 HydrophobicContact CD1-CG2 3.82Å; L36-I47 HydrophobicContact CD2-CB 4.05Å; L36-I47 HydrophobicContact CD2-CG2 3.68Å; L36-I47 HydrophobicContact CG-CG2 4.43Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.47Å; S43-I47 PolarHBondContact O-N 2.95Å; S44-I47 PolarHBondContact O-N 3.03Å; S44-I47 VanDerWaalsContact O-N 3.14Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.39Å; I47-V50 PolarHBondContact O-N 2.89Å; I47-V50 VanDerWaalsContact O-N 3.12Å; I47-L51 PolarHBondContact O-N 3.46Å; I47-I103 HydrophobicContact CG1-CD1 4.01Å; I47-I105 HydrophobicContact CG2-CD1 3.87Å
48	E	97.3	Very high	96.3	Very high	46 Å²	46	53.3 Å²	53.3	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-54.9	-48.9	175	-176.5	-178.7	-176.1	0	0	111.2	L36 K37 S44 V46 V50 L51 M52	L36-E48 HydrophobicContact CB-CB 4.32Å; L36-E48 HydrophobicContact CD1-CB 4.26Å; K37-E48 WeakPolarHBondContact CE-OE1 3.27Å; S44-E48 WeakPolarHBondContact O-CB 3.49Å; S44-E48 PolarHBondContact O-N 2.85Å; V46-E48 VanDerWaalsContact C-N 3.34Å; E48-V50 VanDerWaalsContact C-N 3.31Å; E48-V50 PolarHBondContact O-N 3.41Å; E48-L51 PolarHBondContact O-N 2.94Å; E48-M52 HydrophobicContact CG-CE 4.41Å; E48-M52 HydrophobicContact CG-CG 4.5Å; E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.33Å; E48-M52 PolarHBondContact O-N 3.01Å
49	K	97.5	Very high	96.1	Very high	159 Å²	159	50.6 Å²	50.6	69%	0.691	28%	0.279	S	S	*	.	H	α-helix	trans	-60.6	-38.8	176.9	-72.2	177	-178.6	-172	0	113	P45 V46 I47 S53	P45-K49 WeakPolarHBondContact O-CG 3.36Å; P45-K49 PolarHBondContact O-N 3.25Å; V46-K49 PolarHBondContact O-N 3.33Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.39Å; K49-S53 WeakPolarHBondContact O-CB 3.4Å; K49-S53 PolarHBondContact O-N 2.95Å
50	V	97.6	Very high	96	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-40.5	177.7	-179.8	0	0	0	0	110.8	A5 A7 V46 I47 E48 S53 A54 I103 I105	A5-V50 HydrophobicContact CB-CG1 3.95Å; A5-V50 WeakPolarHBondContact CB-O 3.34Å; A7-V50 HydrophobicContact CB-CG2 3.44Å; A7-V50 VanDerWaalsContact CB-CG2 3.44Å; V46-V50 WeakPolarHBondContact O-CG2 3.28Å; V46-V50 PolarHBondContact O-N 3.46Å; I47-V50 PolarHBondContact O-N 2.89Å; I47-V50 VanDerWaalsContact O-N 3.12Å; E48-V50 VanDerWaalsContact C-N 3.31Å; E48-V50 PolarHBondContact O-N 3.41Å; V50-S53 WeakPolarHBondContact O-CB 3.5Å; V50-S53 PolarHBondContact O-N 3.06Å; V50-A54 PolarHBondContact O-N 2.84Å; V50-I103 HydrophobicContact CG1-CG2 4.42Å; V50-I105 HydrophobicContact CB-CD1 3.9Å; V50-I105 HydrophobicContact CG1-CB 4.16Å; V50-I105 HydrophobicContact CG1-CD1 3.75Å; V50-I105 HydrophobicContact CG1-CG1 3.86Å
51	L	96.8	Very high	95.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-47.6	176.6	179.4	60.2	0	0	0	110.8	A32 I33 L36 I47 E48 S53 A54 L55 V71 I105 V107	A32-L51 HydrophobicContact CB-CD2 3.73Å; I33-L51 HydrophobicContact CG1-CD2 3.82Å; I33-L51 HydrophobicContact CG1-CG 4.49Å; L36-L51 HydrophobicContact CD1-CD2 3.91Å; I47-L51 PolarHBondContact O-N 3.46Å; E48-L51 PolarHBondContact O-N 2.94Å; L51-S53 VanDerWaalsContact C-N 3.26Å; L51-S53 PolarHBondContact O-N 3.19Å; L51-A54 WeakPolarHBondContact O-CA 3.22Å; L51-A54 WeakPolarHBondContact O-CB 3.34Å; L51-A54 PolarHBondContact O-N 2.67Å; L51-L55 HydrophobicContact CG-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.26Å; L51-V71 HydrophobicContact CD1-CG2 3.85Å; L51-I105 HydrophobicContact CB-CD1 4.09Å; L51-I105 HydrophobicContact CD1-CG2 3.98Å; L51-V107 HydrophobicContact CD1-CG1 3.95Å
52	M	96.8	Very high	95.6	Very high	75 Å²	75	52.2 Å²	52.2	37%	0.369	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-39.7	174.7	-67.1	-63.7	-175.7	0	0	111.9	I33 E48 A54 L55 A56	I33-M52 HydrophobicContact CB-CE 4.28Å; I33-M52 HydrophobicContact CD1-CE 3.49Å; I33-M52 VanDerWaalsContact CD1-CE 3.49Å; I33-M52 HydrophobicContact CD1-SD 3.81Å; I33-M52 HydrophobicContact CG1-CE 3.69Å; I33-M52 HydrophobicContact CG1-SD 4.34Å; I33-M52 HydrophobicContact CG2-CE 3.56Å; E48-M52 HydrophobicContact CG-CE 4.41Å; E48-M52 HydrophobicContact CG-CG 4.5Å; E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.33Å; E48-M52 PolarHBondContact O-N 3.01Å; M52-A54 VanDerWaalsContact C-N 3.35Å; M52-L55 PolarHBondContact O-N 3.47Å; M52-L55 HydrophobicContact SD-CD1 4.47Å; M52-A56 WeakPolarHBondContact O-CB 3.13Å; M52-A56 PolarHBondContact O-N 3.02Å
53	S	97.3	Very high	95.4	Very high	55 Å²	55	55.2 Å²	55.2	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-35.7	174.1	179.9	0	0	0	0	112.7	K49 V50 L51 N57	K49-S53 WeakPolarHBondContact O-CB 3.4Å; K49-S53 PolarHBondContact O-N 2.95Å; V50-S53 WeakPolarHBondContact O-CB 3.5Å; V50-S53 PolarHBondContact O-N 3.06Å; L51-S53 VanDerWaalsContact C-N 3.26Å; L51-S53 PolarHBondContact O-N 3.19Å; S53-N57 WeakPolarHBondContact O-CB 3.44Å; S53-N57 PolarHBondContact O-N 3.33Å; S53-N57 PolarHBondContact O-ND2 3.41Å; S53-N57 PolarHBondContact O-OD1 3.12Å
54	A	96.6	Very high	95.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-39.9	175.8	0	0	0	0	0	111.4	A5 V50 L51 M52 N57 A58 V107	A5-A54 HydrophobicContact CB-CB 3.76Å; V50-A54 PolarHBondContact O-N 2.84Å; L51-A54 WeakPolarHBondContact O-CA 3.22Å; L51-A54 WeakPolarHBondContact O-CB 3.34Å; L51-A54 PolarHBondContact O-N 2.67Å; M52-A54 VanDerWaalsContact C-N 3.35Å; A54-N57 PolarHBondContact O-N 2.87Å; A54-A58 PolarHBondContact O-N 2.87Å; A54-V107 HydrophobicContact CB-CG1 4.14Å; A54-V107 HydrophobicContact CB-CG2 4.17Å
55	L	95.9	Very high	94.9	Very high	14 Å²	14	59 Å²	59	7%	0.073	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-45.5	175.2	-63.7	173.9	0	0	0	111.5	A29 I33 L51 M52 N57 A58 E59 T66 L69 V107	A29-L55 HydrophobicContact CB-CD1 4.05Å; A29-L55 HydrophobicContact CB-CD2 3.62Å; A29-L55 HydrophobicContact CB-CG 4.47Å; I33-L55 HydrophobicContact CD1-CD1 3.76Å; L51-L55 HydrophobicContact CG-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.26Å; M52-L55 PolarHBondContact O-N 3.47Å; M52-L55 HydrophobicContact SD-CD1 4.47Å; L55-N57 VanDerWaalsContact C-N 3.27Å; L55-N57 PolarHBondContact O-N 2.93Å; L55-A58 WeakPolarHBondContact O-CA 3.48Å; L55-A58 WeakPolarHBondContact O-CB 3.34Å; L55-A58 PolarHBondContact O-N 2.99Å; L55-E59 PolarHBondContact O-N 3.31Å; L55-T66 HydrophobicContact CB-CG2 4.46Å; L55-L69 HydrophobicContact CD2-CB 4.06Å; L55-L69 HydrophobicContact CD2-CD1 3.6Å; L55-L69 HydrophobicContact CD2-CG 4.47Å; L55-V107 HydrophobicContact CD2-CG1 4.24Å
56	A	96	Very high	94.5	Very high	35 Å²	35	57.7 Å²	57.7	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-36.8	175.1	0	0	0	0	0	112.2	M52 A58 H60	M52-A56 WeakPolarHBondContact O-CB 3.13Å; M52-A56 PolarHBondContact O-N 3.02Å; A56-A58 VanDerWaalsContact C-N 3.32Å; A56-H60 WeakPolarHBondContact O-CB 3.47Å; A56-H60 PolarHBondContact O-CD2 3.38Å; A56-H60 VanDerWaalsContact O-CD2 3.32Å; A56-H60 PolarHBondContact O-N 2.92Å
57	N	96	Very high	94.2	Very high	55 Å²	55	61.1 Å²	61.1	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-66.5	-35	174	-72.8	-13.6	0	0	0	112.3	A3 K4 S53 A54 L55 N61	A3-N57 HydrophobicContact CB-CB 4.46Å; K4-N57 PolarHBondContact O-ND2 2.97Å; S53-N57 WeakPolarHBondContact O-CB 3.44Å; S53-N57 PolarHBondContact O-N 3.33Å; S53-N57 PolarHBondContact O-ND2 3.41Å; S53-N57 PolarHBondContact O-OD1 3.12Å; A54-N57 PolarHBondContact O-N 2.87Å; L55-N57 VanDerWaalsContact C-N 3.27Å; L55-N57 PolarHBondContact O-N 2.93Å; N57-N61 WeakPolarHBondContact O-CB 3.49Å; N57-N61 PolarHBondContact O-N 2.91Å; N57-N61 PolarHBondContact O-ND2 3.02Å
58	A	94.6	Very high	93.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-70	-43.5	176.5	0	0	0	0	0	111.8	A3 A54 L55 A56 Y62 D63 M64 L69 V107	A3-A58 HydrophobicContact CB-CB 3.64Å; A54-A58 PolarHBondContact O-N 2.87Å; L55-A58 WeakPolarHBondContact O-CA 3.48Å; L55-A58 WeakPolarHBondContact O-CB 3.34Å; L55-A58 PolarHBondContact O-N 2.99Å; A56-A58 VanDerWaalsContact C-N 3.32Å; A58-Y62 CarbonylContact O-C 3.43Å; A58-Y62 WeakPolarHBondContact O-CB 3.41Å; A58-Y62 PolarHBondContact O-N 3.26Å; A58-D63 PolarHBondContact O-N 2.9Å; A58-M64 HydrophobicContact CB-CB 4.21Å; A58-M64 HydrophobicContact CB-SD 4.2Å; A58-M64 PolarHBondContact O-N 3.35Å; A58-M64 VanDerWaalsContact O-N 3.12Å; A58-L69 HydrophobicContact CB-CD1 3.42Å; A58-L69 VanDerWaalsContact CB-CD1 3.42Å; A58-V107 HydrophobicContact CB-CG2 4.15Å
59	E	93.6	Very high	93.8	Very high	97 Å²	97	64.2 Å²	64.2	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-66.6	-49.4	179.4	-172.5	176.8	-177.1	0	0	111.6	L55 D63 T66	L55-E59 PolarHBondContact O-N 3.31Å; E59-D63 WeakPolarHBondContact O-CA 3.37Å; E59-D63 PolarHBondContact O-N 3.19Å; E59-T66 HydrophobicContact CB-CG2 3.89Å; E59-T66 HydrophobicContact CG-CG2 4.3Å
60	H	93.6	Very high	93.7	Very high	139 Å²	139	59.3 Å²	59.3	64%	0.644	31%	0.309	S	S	*	.	H	α-helix	trans	-84.7	-33.2	-172.1	-71.5	-54.9	0	0	0	115.5	A56	A56-H60 WeakPolarHBondContact O-CB 3.47Å; A56-H60 PolarHBondContact O-CD2 3.38Å; A56-H60 VanDerWaalsContact O-CD2 3.32Å; A56-H60 PolarHBondContact O-N 2.92Å
61	N	92.1	Very high	93.6	Very high	106 Å²	106	58.9 Å²	58.9	57%	0.567	31%	0.307	S	S	*	.	H	α-helix	trans	-98.3	-20	-174.3	-55.7	-62.6	0	0	0	113.2	N57	N57-N61 WeakPolarHBondContact O-CB 3.49Å; N57-N61 PolarHBondContact O-N 2.91Å; N57-N61 PolarHBondContact O-ND2 3.02Å
62	Y	90.4	Very high	93.5	Very high	103 Å²	103	63.9 Å²	63.9	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-130.7	5.5	-172.4	-59.2	-67.3	0	0	0	112.7	M1 A3 A58 M64	M1-Y62 HydrophobicContact CE-CD1 3.41Å; M1-Y62 VanDerWaalsContact CE-CD1 3.41Å; M1-Y62 HydrophobicContact CE-CE1 3.95Å; M1-Y62 HydrophobicContact CE-CG 4.35Å; M1-Y62 HydrophobicContact CG-CD1 4.24Å; M1-Y62 HydrophobicContact SD-CD1 3.65Å; M1-Y62 HydrophobicContact SD-CG 4.02Å; A3-Y62 HydrophobicContact CB-CD2 3.95Å; A3-Y62 HydrophobicContact CB-CE2 3.98Å; A58-Y62 CarbonylContact O-C 3.43Å; A58-Y62 WeakPolarHBondContact O-CB 3.41Å; A58-Y62 PolarHBondContact O-N 3.26Å; Y62-M64 HydrophobicContact CD1-CE 4.42Å; Y62-M64 HydrophobicContact CD2-CE 3.86Å; Y62-M64 HydrophobicContact CG-CE 3.64Å; Y62-M64 PolarHBondContact O-N 3.27Å
63	D	89.5	Confident	93.5	Very high	149 Å²	149	64.3 Å²	64.3	80%	0.797	33%	0.33	S	S	*	.			trans	47.9	35.2	179.4	-60.2	-64.1	0	0	0	113.1	A58 E59	A58-D63 PolarHBondContact O-N 2.9Å; E59-D63 WeakPolarHBondContact O-CA 3.37Å; E59-D63 PolarHBondContact O-N 3.19Å
64	M	89.5	Confident	93.4	Very high	16 Å²	16	61.8 Å²	61.8	8%	0.079	31%	0.312	C	S	.	.			trans	-81.6	143.7	-178.7	-61.9	-171.9	-153.2	0	0	111.2	M1 A58 Y62 T66 L69	M1-M64 HydrophobicContact CB-CE 3.4Å; M1-M64 VanDerWaalsContact CB-CE 3.4Å; M1-M64 HydrophobicContact CB-SD 4.41Å; M1-M64 HydrophobicContact CG-CE 3.38Å; M1-M64 HydrophobicContact SD-CE 3.67Å; A58-M64 HydrophobicContact CB-CB 4.21Å; A58-M64 HydrophobicContact CB-SD 4.2Å; A58-M64 PolarHBondContact O-N 3.35Å; A58-M64 VanDerWaalsContact O-N 3.12Å; Y62-M64 HydrophobicContact CD1-CE 4.42Å; Y62-M64 HydrophobicContact CD2-CE 3.86Å; Y62-M64 HydrophobicContact CG-CE 3.64Å; Y62-M64 PolarHBondContact O-N 3.27Å; M64-T66 PolarHBondContact O-N 3.3Å; M64-L69 HydrophobicContact CB-CD2 4.22Å; M64-L69 HydrophobicContact SD-CD2 3.75Å
65	N	90.6	Very high	93.5	Very high	72 Å²	72	66 Å²	66	39%	0.385	33%	0.329	S	S	.	.			trans	-70.4	116.9	170.3	-175.8	2.2	0	0	0	110.4	D67 E68 L69	N65-D67 VanDerWaalsContact C-N 3.26Å; N65-D67 PolarHBondContact O-N 3.02Å; N65-D67 PolarHBondContact OD1-N 2.92Å; N65-E68 HydrophobicContact CB-CB 4.44Å; N65-E68 HydrophobicContact CB-CG 4.38Å; N65-E68 PolarHBondContact ND2-OE1 3.32Å; N65-E68 PolarHBondContact O-N 3.49Å; N65-L69 WeakPolarHBondContact O-CG 3.28Å
66	T	89.3	Confident	93.5	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.239	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-65.2	-26.8	-176.8	53.2	0	0	0	0	113.8	L55 E59 M64 E68 L69	L55-T66 HydrophobicContact CB-CG2 4.46Å; E59-T66 HydrophobicContact CB-CG2 3.89Å; E59-T66 HydrophobicContact CG-CG2 4.3Å; M64-T66 PolarHBondContact O-N 3.3Å; T66-E68 VanDerWaalsContact C-N 3.31Å; T66-E68 PolarHBondContact O-N 3.43Å; T66-L69 PolarHBondContact O-N 2.98Å
67	D	90.3	Very high	93.6	Very high	115 Å²	115	67.5 Å²	67.5	62%	0.615	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-73.3	-23.8	-180	-67.5	-42.2	0	0	0	113.1	N28 N65	N28-D67 PolarHBondContact ND2-O 2.94Å; N65-D67 VanDerWaalsContact C-N 3.26Å; N65-D67 PolarHBondContact O-N 3.02Å; N65-D67 PolarHBondContact OD1-N 2.92Å
68	E	90.9	Very high	93.5	Very high	112 Å²	112	71.5 Å²	71.5	52%	0.523	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-91.8	-7.4	-179.4	-69.6	171.1	-149.4	0	0	112.6	N65 T66	N65-E68 HydrophobicContact CB-CB 4.44Å; N65-E68 HydrophobicContact CB-CG 4.38Å; N65-E68 PolarHBondContact ND2-OE1 3.32Å; N65-E68 PolarHBondContact O-N 3.49Å; T66-E68 VanDerWaalsContact C-N 3.31Å; T66-E68 PolarHBondContact O-N 3.43Å
69	L	94.1	Very high	93.6	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.355	C	S	.	.			trans	-75.3	137.9	-174.8	-67.4	175.8	0	0	0	112.4	A29 L55 A58 M64 N65 T66 V107 D109	A29-L69 HydrophobicContact CB-CB 4.3Å; A29-L69 WeakPolarHBondContact CB-O 3.45Å; A29-L69 PolarHBondContact N-O 3.13Å; L55-L69 HydrophobicContact CD2-CB 4.06Å; L55-L69 HydrophobicContact CD2-CD1 3.6Å; L55-L69 HydrophobicContact CD2-CG 4.47Å; A58-L69 HydrophobicContact CB-CD1 3.42Å; A58-L69 VanDerWaalsContact CB-CD1 3.42Å; M64-L69 HydrophobicContact CB-CD2 4.22Å; M64-L69 HydrophobicContact SD-CD2 3.75Å; N65-L69 WeakPolarHBondContact O-CG 3.28Å; T66-L69 PolarHBondContact O-N 2.98Å; L69-V107 HydrophobicContact CB-CB 4.43Å; L69-V107 HydrophobicContact CD1-CG2 4.13Å; L69-D109 HydrophobicContact CD2-CB 4.14Å
70	V	95.4	Very high	93.7	Very high	55 Å²	55	71.3 Å²	71.3	33%	0.333	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.5	174.5	179.3	0	0	0	0	109.5	K72 V107 S108	V70-K72 PolarHBondContact O-N 2.98Å; V70-V107 CarbonylContact O-C 3.58Å; V70-V107 VanDerWaalsContact O-CA 3.28Å; V70-V107 WeakPolarHBondContact O-CA 3.37Å; V70-S108 PolarHBondContact N-O 2.84Å; V70-S108 PolarHBondContact O-N 2.84Å
71	V	96.5	Very high	93.8	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	91.2	171.9	-177.5	0	0	0	0	109.1	I24 G26 K27 A32 L51 A74 I105	I24-V71 WeakPolarHBondContact O-CB 3.18Å; G26-V71 WeakPolarHBondContact CA-O 3.46Å; G26-V71 PolarHBondContact N-O 3.2Å; K27-V71 PolarHBondContact O-N 2.85Å; A32-V71 HydrophobicContact CB-CG2 4.08Å; L51-V71 HydrophobicContact CD1-CG2 3.85Å; V71-A74 HydrophobicContact CG1-CB 3.99Å; V71-I105 HydrophobicContact CG1-CG2 4.11Å
72	K	94.9	Very high	93.9	Very high	104 Å²	104	65.7 Å²	65.7	45%	0.452	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-51.1	179.6	-174.1	-176.5	172.3	-178.8	0	111.4	E2 V70 V106	E2-K72 IonicContact OE2-NZ 2.81Å; E2-K72 PolarHBondContact OE2-NZ 2.89Å; V70-K72 PolarHBondContact O-N 2.98Å; K72-V106 PolarHBondContact N-O 2.82Å
73	E	95.5	Very high	94.1	Very high	84 Å²	84	69 Å²	69	39%	0.393	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.9	-179.7	-57.1	-174.6	171.6	0	0	111.8	Y75 I105 V106	E73-Y75 HydrophobicContact CB-CD1 4.34Å; E73-Y75 HydrophobicContact CB-CE1 4.31Å; E73-I105 WeakPolarHBondContact O-CA 3.23Å; E73-V106 HydrophobicContact CB-CB 4.03Å; E73-V106 HydrophobicContact CB-CG2 4.11Å; E73-V106 PolarHBondContact N-O 3.44Å; E73-V106 PolarHBondContact O-N 3.29Å
74	A	97.1	Very high	94.4	Very high	2 Å²	2	68.3 Å²	68.3	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	110.9	177	0	0	0	0	0	108.9	L21 R25 V71	L21-A74 HydrophobicContact CB-CB 4.12Å; L21-A74 HydrophobicContact CD2-CB 4.15Å; R25-A74 PolarHBondContact NH2-O 2.88Å; V71-A74 HydrophobicContact CG1-CB 3.99Å
75	Y	97	Very high	94.6	Very high	88 Å²	88	75.3 Å²	75.3	35%	0.345	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.5	-179	57	-93.4	0	0	0	112.8	E73 T104	E73-Y75 HydrophobicContact CB-CD1 4.34Å; E73-Y75 HydrophobicContact CB-CE1 4.31Å; Y75-T104 HydrophobicContact CE1-CG2 4.14Å; Y75-T104 HydrophobicContact CE2-CG2 4.14Å; Y75-T104 PolarHBondContact N-O 2.98Å; Y75-T104 VanDerWaalsContact N-O 3.08Å; Y75-T104 PolarHBondContact O-N 3.36Å; Y75-T104 WeakPolarHBondContact OH-CG2 3.23Å
76	A	97.4	Very high	94.8	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.008	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.5	176.1	0	0	0	0	0	110.6	V17 R18 L21 H102	V17-A76 HydrophobicContact CB-CB 3.99Å; V17-A76 HydrophobicContact CG1-CB 3.71Å; R18-A76 HydrophobicContact CG-CB 4.07Å; R18-A76 PolarHBondContact NE-O 2.79Å; R18-A76 PolarHBondContact NH2-O 2.96Å; L21-A76 HydrophobicContact CD1-CB 3.81Å; A76-H102 CarbonylContact C-O 3.57Å; A76-H102 VanDerWaalsContact CA-O 3.28Å; A76-H102 WeakPolarHBondContact CA-O 3.27Å
77	N	96.7	Very high	95.1	Very high	81 Å²	81	82.5 Å²	82.5	43%	0.433	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	158.1	174.9	-68.6	-26.4	0	0	0	110.7	S101 H102	N77-S101 CarbonylContact O-C 3.59Å; N77-S101 VanDerWaalsContact O-CA 3.24Å; N77-S101 WeakPolarHBondContact O-CA 3.39Å; N77-H102 HydrophobicContact CB-CB 4.44Å; N77-H102 PolarHBondContact N-O 3.18Å; N77-H102 PolarHBondContact O-N 2.89Å
78	E	95.4	Very high	95.3	Very high	138 Å²	138	84.6 Å²	84.6	65%	0.645	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.1	173.9	60.6	179.8	-171.9	0	0	111	P14 H102	P14-E78 HydrophobicContact CG-CB 4.4Å; E78-H102 PolarHBondContact O-CD2 3.37Å
79	G	95.2	Very high	95.5	Very high	12 Å²	12	83 Å²	83	12%	0.124	40%	0.403	C	S	.	.			trans	-106.9	-172.8	168.7	0	0	0	0	0	111.7	T81 T100 H102	G79-T81 PolarHBondContact O-N 3.29Å; G79-T100 WeakPolarHBondContact CA-OG1 3.34Å; G79-T100 PolarHBondContact N-O 3.21Å; G79-H102 WeakPolarHBondContact CA-NE2 3.18Å
80	P	96.2	Very high	95.5	Very high	81 Å²	81	90.5 Å²	90.5	53%	0.526	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-53.5	130.6	176.9	-25.4	34	0	0	0	112.1	T100	P80-T100 WeakPolarHBondContact O-CG2 3.25Å; P80-T100 PolarHBondContact O-OG1 3.11Å
81	T	95.7	Very high	95.3	Very high	50 Å²	50	91.9 Å²	91.9	31%	0.307	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-98.9	118.9	176.9	-65.3	0	0	0	0	110	G79 K83 N97 R99	G79-T81 PolarHBondContact O-N 3.29Å; T81-K83 PolarHBondContact O-N 2.83Å; T81-N97 HydrophobicContact CG2-CB 3.73Å; T81-R99 HydrophobicContact CG2-CG 3.97Å
82	L	93.9	Very high	95.2	Very high	78 Å²	78	99.8 Å²	99.8	41%	0.408	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.2	173.9	-58.7	170.3	0	0	0	109.7	K98	L82-K98 HydrophobicContact CB-CB 4.13Å; L82-K98 PolarHBondContact N-O 3.35Å; L82-K98 PolarHBondContact O-N 3.35Å
83	K	94.4	Very high	95.1	Very high	173 Å²	173	98.4 Å²	98.4	75%	0.752	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.9	175.2	-60.5	177.2	-176.2	176.3	0	109.6	T81	T81-K83 PolarHBondContact O-N 2.83Å
84	R	95.8	Very high	95.1	Very high	133 Å²	133	96.2 Å²	96.2	50%	0.502	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.1	172.1	-62.7	-65.8	180	-92.7	4.7	107.7	I96 K98	R84-I96 HydrophobicContact CB-CB 4.01Å; R84-I96 HydrophobicContact CB-CG2 4.32Å; R84-I96 PolarHBondContact N-O 2.87Å; R84-I96 PolarHBondContact O-N 3.25Å; R84-K98 HydrophobicContact CG-CG 4.4Å
85	F	94.7	Very high	95	Very high	163 Å²	163	100 Å²	100	72%	0.715	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.2	174.7	62.8	-85.9	0	0	0	109.8	A93 S94	F85-A93 HydrophobicContact CB-CB 4.46Å; F85-S94 CarbonylContact C-O 3.56Å; F85-S94 WeakPolarHBondContact CA-O 3.3Å
86	R	94	Very high	94.9	Very high	161 Å²	161	98.7 Å²	98.7	61%	0.608	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.8	168	-169.1	174	-177.6	165.1	1.6	108.3	S94 I96	R86-S94 PolarHBondContact N-O 2.98Å; R86-S94 PolarHBondContact O-N 3.14Å; R86-S94 PolarHBondContact O-OG 3.14Å; R86-I96 HydrophobicContact CB-CD1 3.77Å; R86-I96 HydrophobicContact CB-CG1 4.26Å
87	P	95.6	Very high	94.8	Very high	102 Å²	102	102.4 Å²	102.4	66%	0.662	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	142	172.1	26.9	-33.6	0	0	0	110.1
88	R	95	Very high	94.7	Very high	158 Å²	158	104.6 Å²	104.6	60%	0.596	55%	0.551	S	S	*	*			trans	-130.1	170.8	177	-61.7	-62.4	-66.8	-96.7	1.3	109.5	R92	R88-R92 WeakPolarHBondContact CA-O 3.44Å; R88-R92 HydrophobicContact CB-CB 4.08Å; R88-R92 WeakPolarHBondContact CB-O 3.38Å; R88-R92 PolarHBondContact N-O 2.94Å
89	A	95	Very high	94.8	Very high	78 Å²	78	102.6 Å²	102.6	65%	0.645	54%	0.537	S	S	*	.	S	Bend	trans	-57.8	155.9	177.2	0	0	0	0	0	112	G91 R92	A89-G91 VanDerWaalsContact C-N 3.33Å; A89-G91 PolarHBondContact O-N 2.58Å; A89-R92 WeakPolarHBondContact O-CB 3.26Å; A89-R92 WeakPolarHBondContact O-CG 3.47Å; A89-R92 PolarHBondContact O-N 3.49Å
90	Q	94.1	Very high	94.9	Very high	158 Å²	158	102.4 Å²	102.4	74%	0.738	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	36	179.1	-55.3	176.4	-20.7	0	0	114.2	R92	Q90-R92 PolarHBondContact O-N 3.07Å; Q90-R92 VanDerWaalsContact O-N 3.11Å
91	G	91.6	Very high	94.9	Very high	84 Å²	84	98.6 Å²	98.6	87%	0.866	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	11.7	179.1	0	0	0	0	0	114.7	A89	A89-G91 VanDerWaalsContact C-N 3.33Å; A89-G91 PolarHBondContact O-N 2.58Å
92	R	94.1	Very high	95	Very high	167 Å²	167	98.3 Å²	98.3	63%	0.63	50%	0.504	S	S	*	.			trans	-77.8	151	179.5	-61.8	-179.7	-175.4	-169.4	2.1	110.8	R88 A89 Q90	R88-R92 WeakPolarHBondContact CA-O 3.44Å; R88-R92 HydrophobicContact CB-CB 4.08Å; R88-R92 WeakPolarHBondContact CB-O 3.38Å; R88-R92 PolarHBondContact N-O 2.94Å; A89-R92 WeakPolarHBondContact O-CB 3.26Å; A89-R92 WeakPolarHBondContact O-CG 3.47Å; A89-R92 PolarHBondContact O-N 3.49Å; Q90-R92 PolarHBondContact O-N 3.07Å; Q90-R92 VanDerWaalsContact O-N 3.11Å
93	A	93.4	Very high	95.2	Very high	75 Å²	75	94.6 Å²	94.6	62%	0.62	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.4	171.7	0	0	0	0	0	110.2	F85	F85-A93 HydrophobicContact CB-CB 4.46Å
94	S	95.2	Very high	95.3	Very high	38 Å²	38	86.9 Å²	86.9	27%	0.266	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.4	172.3	59.6	0	0	0	0	110.6	F85 R86	F85-S94 CarbonylContact C-O 3.56Å; F85-S94 WeakPolarHBondContact CA-O 3.3Å; R86-S94 PolarHBondContact N-O 2.98Å; R86-S94 PolarHBondContact O-N 3.14Å; R86-S94 PolarHBondContact O-OG 3.14Å
95	A	94.2	Very high	95.4	Very high	81 Å²	81	80.6 Å²	80.6	67%	0.669	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.8	178.8	0	0	0	0	0	112.3
96	I	95.3	Very high	95.5	Very high	60 Å²	60	73.4 Å²	73.4	31%	0.308	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.3	166.4	-66.2	176.7	0	0	0	107.5	R84 R86 K98	R84-I96 HydrophobicContact CB-CB 4.01Å; R84-I96 HydrophobicContact CB-CG2 4.32Å; R84-I96 PolarHBondContact N-O 2.87Å; R84-I96 PolarHBondContact O-N 3.25Å; R86-I96 HydrophobicContact CB-CD1 3.77Å; R86-I96 HydrophobicContact CB-CG1 4.26Å; I96-K98 HydrophobicContact CG2-CD 4.35Å; I96-K98 HydrophobicContact CG2-CG 4.45Å
97	N	94.7	Very high	95.7	Very high	79 Å²	79	65.7 Å²	65.7	42%	0.422	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.4	177.3	-69.9	-32.5	0	0	0	110.1	T81 R99	T81-N97 HydrophobicContact CG2-CB 3.73Å; N97-R99 HydrophobicContact CB-CG 4.42Å; N97-R99 PolarHBondContact O-N 3.43Å
98	K	95.7	Very high	95.6	Very high	127 Å²	127	61.4 Å²	61.4	55%	0.552	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	89.2	171.4	-60.1	-69.7	-172.2	173.9	0	108.1	L82 R84 I96	L82-K98 HydrophobicContact CB-CB 4.13Å; L82-K98 PolarHBondContact N-O 3.35Å; L82-K98 PolarHBondContact O-N 3.35Å; R84-K98 HydrophobicContact CG-CG 4.4Å; I96-K98 HydrophobicContact CG2-CD 4.35Å; I96-K98 HydrophobicContact CG2-CG 4.45Å
99	R	96.7	Very high	95.4	Very high	96 Å²	96	55.7 Å²	55.7	36%	0.362	32%	0.322	S	S	.	.			trans	-75.2	142.7	-179.2	-61.5	-179.1	-179.3	-90.7	3.5	110.7	A13 T81 N97	A13-R99 HydrophobicContact CB-CB 4.22Å; T81-R99 HydrophobicContact CG2-CG 3.97Å; N97-R99 HydrophobicContact CB-CG 4.42Å; N97-R99 PolarHBondContact O-N 3.43Å
100	T	97.3	Very high	94.7	Very high	9 Å²	9	55 Å²	55	6%	0.055	32%	0.323	C	S	.	.			trans	-114.5	167.7	171	63.8	0	0	0	0	110.1	T9 I10 R11 I12 G79 P80	T9-T100 HydrophobicContact CG2-CG2 4.42Å; I10-T100 CarbonylContact O-C 3.53Å; I10-T100 WeakPolarHBondContact O-CA 3.43Å; I10-T100 VanDerWaalsContact O-CB 3.23Å; I10-T100 WeakPolarHBondContact O-CB 3.23Å; R11-T100 HydrophobicContact CG-CG2 4.46Å; I12-T100 CarbonylContact O-C 3.5Å; G79-T100 WeakPolarHBondContact CA-OG1 3.34Å; G79-T100 PolarHBondContact N-O 3.21Å; P80-T100 WeakPolarHBondContact O-CG2 3.25Å; P80-T100 PolarHBondContact O-OG1 3.11Å
101	S	96.6	Very high	93.7	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151	178.6	61	0	0	0	0	112.5	T9 I10 I12 N77	T9-S101 PolarHBondContact N-O 3.33Å; I10-S101 PolarHBondContact N-O 2.9Å; I10-S101 PolarHBondContact O-N 3.18Å; I12-S101 WeakPolarHBondContact O-CB 3.39Å; I12-S101 PolarHBondContact O-N 3.21Å; I12-S101 PolarHBondContact O-OG 2.92Å; N77-S101 CarbonylContact O-C 3.59Å; N77-S101 VanDerWaalsContact O-CA 3.24Å; N77-S101 WeakPolarHBondContact O-CA 3.39Å
102	H	97.7	Very high	92.1	Very high	44 Å²	44	59.2 Å²	59.2	20%	0.204	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.3	163	-57.8	-70.5	0	0	0	108.1	A7 R8 T9 A76 N77 E78 G79	A7-H102 CarbonylContact O-C 3.48Å; A7-H102 WeakPolarHBondContact O-CA 3.48Å; R8-H102 WeakPolarHBondContact CA-ND1 3.24Å; R8-H102 VanDerWaalsContact CB-ND1 3.3Å; R8-H102 WeakPolarHBondContact CB-ND1 3.39Å; T9-H102 PolarHBondContact N-CE1 2.7Å; T9-H102 PolarHBondContact N-ND1 3.31Å; T9-H102 VanDerWaalsContact N-ND1 3.18Å; A76-H102 CarbonylContact C-O 3.57Å; A76-H102 VanDerWaalsContact CA-O 3.28Å; A76-H102 WeakPolarHBondContact CA-O 3.27Å; N77-H102 HydrophobicContact CB-CB 4.44Å; N77-H102 PolarHBondContact N-O 3.18Å; N77-H102 PolarHBondContact O-N 2.89Å; E78-H102 PolarHBondContact O-CD2 3.37Å; G79-H102 WeakPolarHBondContact CA-NE2 3.18Å
103	I	97.7	Very high	90.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.5	179.8	-56.4	-173.1	0	0	0	108.2	V6 A7 I10 V17 L21 V46 I47 V50 I105	V6-I103 CarbonylContact C-O 3.58Å; V6-I103 VanDerWaalsContact CA-O 3.27Å; V6-I103 WeakPolarHBondContact CA-O 3.37Å; A7-I103 PolarHBondContact N-O 3.32Å; A7-I103 PolarHBondContact O-N 2.96Å; I10-I103 HydrophobicContact CD1-CB 4.1Å; I10-I103 HydrophobicContact CD1-CD1 3.41Å; I10-I103 VanDerWaalsContact CD1-CD1 3.41Å; I10-I103 HydrophobicContact CD1-CG1 3.54Å; V17-I103 HydrophobicContact CB-CD1 4.45Å; V17-I103 HydrophobicContact CG1-CD1 3.37Å; V17-I103 HydrophobicContact CG1-CG1 3.74Å; V17-I103 HydrophobicContact CG2-CD1 4.21Å; L21-I103 HydrophobicContact CD1-CG2 4.33Å; L21-I103 HydrophobicContact CD2-CG2 4.16Å; V46-I103 HydrophobicContact CG1-CD1 4.25Å; I47-I103 HydrophobicContact CG1-CD1 4.01Å; V50-I103 HydrophobicContact CG1-CG2 4.42Å; I103-I105 HydrophobicContact CG2-CG1 4.23Å
104	T	98	Very high	88.1	Confident	12 Å²	12	58.1 Å²	58.1	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.6	172.4	-56.8	0	0	0	0	109	A5 V6 Y75 V106	A5-T104 WeakPolarHBondContact O-CA 3.3Å; V6-T104 HydrophobicContact CG2-CG2 3.94Å; Y75-T104 HydrophobicContact CE1-CG2 4.14Å; Y75-T104 HydrophobicContact CE2-CG2 4.14Å; Y75-T104 PolarHBondContact N-O 2.98Å; Y75-T104 VanDerWaalsContact N-O 3.08Å; Y75-T104 PolarHBondContact O-N 3.36Å; Y75-T104 WeakPolarHBondContact OH-CG2 3.23Å; T104-V106 HydrophobicContact CG2-CG2 4.27Å
105	I	97.8	Very high	86	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.3	172.8	-57.8	178.3	0	0	0	107.4	K4 A5 L21 I24 I47 V50 L51 V71 E73 I103 V107	K4-I105 WeakPolarHBondContact CA-O 3.14Å; A5-I105 PolarHBondContact N-O 3.18Å; A5-I105 PolarHBondContact O-N 3.41Å; L21-I105 HydrophobicContact CD2-CD1 4.32Å; L21-I105 HydrophobicContact CD2-CG1 4.33Å; I24-I105 HydrophobicContact CD1-CD1 4.4Å; I47-I105 HydrophobicContact CG2-CD1 3.87Å; V50-I105 HydrophobicContact CB-CD1 3.9Å; V50-I105 HydrophobicContact CG1-CB 4.16Å; V50-I105 HydrophobicContact CG1-CD1 3.75Å; V50-I105 HydrophobicContact CG1-CG1 3.86Å; L51-I105 HydrophobicContact CB-CD1 4.09Å; L51-I105 HydrophobicContact CD1-CG2 3.98Å; V71-I105 HydrophobicContact CG1-CG2 4.11Å; E73-I105 WeakPolarHBondContact O-CA 3.23Å; I103-I105 HydrophobicContact CG2-CG1 4.23Å; I105-V107 HydrophobicContact CG2-CG1 4.47Å
106	V	96.9	Very high	83.4	Confident	12 Å²	12	69.6 Å²	69.6	7%	0.073	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	176.1	-172.6	0	0	0	0	108	E2 A3 K4 K72 E73 T104	E2-V106 HydrophobicContact CB-CG1 4.06Å; A3-V106 CarbonylContact O-C 3.55Å; A3-V106 WeakPolarHBondContact O-CA 3.49Å; K4-V106 HydrophobicContact CB-CG2 4.06Å; K72-V106 PolarHBondContact N-O 2.82Å; E73-V106 HydrophobicContact CB-CB 4.03Å; E73-V106 HydrophobicContact CB-CG2 4.11Å; E73-V106 PolarHBondContact N-O 3.44Å; E73-V106 PolarHBondContact O-N 3.29Å; T104-V106 HydrophobicContact CG2-CG2 4.27Å
107	V	96.5	Very high	80.4	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.2	174.7	-62.4	0	0	0	0	109.6	E2 A3 L51 A54 L55 A58 L69 V70 I105	E2-V107 WeakPolarHBondContact CA-O 3.45Å; A3-V107 HydrophobicContact CB-CG2 3.91Å; A3-V107 PolarHBondContact N-O 2.76Å; A3-V107 PolarHBondContact O-N 3.32Å; L51-V107 HydrophobicContact CD1-CG1 3.95Å; A54-V107 HydrophobicContact CB-CG1 4.14Å; A54-V107 HydrophobicContact CB-CG2 4.17Å; L55-V107 HydrophobicContact CD2-CG1 4.24Å; A58-V107 HydrophobicContact CB-CG2 4.15Å; L69-V107 HydrophobicContact CB-CB 4.43Å; L69-V107 HydrophobicContact CD1-CG2 4.13Å; V70-V107 CarbonylContact O-C 3.58Å; V70-V107 VanDerWaalsContact O-CA 3.28Å; V70-V107 WeakPolarHBondContact O-CA 3.37Å; I105-V107 HydrophobicContact CG2-CG1 4.47Å
108	S	94.3	Very high	79.7	Confident	11 Å²	11	74.9 Å²	74.9	8%	0.077	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.6	-179.3	-175.4	0	0	0	0	110.5	M1 V70 G110	M1-S108 WeakPolarHBondContact O-CA 3.42Å; M1-S108 WeakPolarHBondContact O-CB 3.47Å; M1-S108 PolarHBondContact O-OG 2.99Å; V70-S108 PolarHBondContact N-O 2.84Å; V70-S108 PolarHBondContact O-N 2.84Å; S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact OG-N 2.9Å
109	D	89.8	Confident	78.8	Confident	38 Å²	38	72.1 Å²	72.1	20%	0.203	40%	0.401	C	S	.	.			trans	-87.4	3.8	173.6	65.2	-21.6	0	0	0	112.9	M1 L69 K111	M1-D109 PolarHBondContact N-OD1 3.49Å; L69-D109 HydrophobicContact CD2-CB 4.14Å; D109-K111 PolarHBondContact O-N 3.49Å; D109-K111 VanDerWaalsContact O-N 3.15Å; D109-K111 PolarHBondContact OD1-N 3.04Å; D109-K111 VanDerWaalsContact OD2-CD 3.23Å; D109-K111 WeakPolarHBondContact OD2-CD 3.46Å; D109-K111 WeakPolarHBondContact OD2-CG 3.48Å; D109-K111 IonicContact OD2-NZ 3.78Å
110	G	80.2	Confident	77.8	Confident	64 Å²	64	70.8 Å²	70.8	66%	0.66	40%	0.404	S	S	*	.	S	Bend	trans	74.1	-3	179.7	0	0	0	0	0	114.7	S108 E112	S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact OG-N 2.9Å; G110-E112 PolarHBondContact O-N 3.41Å
111	K	73.6	Confident	76.7	Confident	138 Å²	138	74.4 Å²	74.4	60%	0.6	42%	0.424	S	S	*	.			trans	-74.2	112.1	170.3	-60.1	-178.6	-165.8	154.9	0	107.6	M1 D109 E113	M1-K111 PolarHBondContact N-O 2.85Å; D109-K111 PolarHBondContact O-N 3.49Å; D109-K111 VanDerWaalsContact O-N 3.15Å; D109-K111 PolarHBondContact OD1-N 3.04Å; D109-K111 VanDerWaalsContact OD2-CD 3.23Å; D109-K111 WeakPolarHBondContact OD2-CD 3.46Å; D109-K111 WeakPolarHBondContact OD2-CG 3.48Å; D109-K111 IonicContact OD2-NZ 3.78Å; K111-E113 PolarHBondContact O-N 3.32Å; K111-E113 VanDerWaalsContact O-N 3.15Å
112	E	58.4	Low	75.5	Confident	193 Å²	193	79.1 Å²	79.1	90%	0.902	45%	0.451	S	S	*	.			trans	-66.5	112.9	169.2	-76.4	-170.8	151.1	0	0	108.3	G110	G110-E112 PolarHBondContact O-N 3.41Å
113	E	54.7	Low	74	Confident	127 Å²	127	81.4 Å²	81.4	59%	0.593	47%	0.467	S	S	*	.			trans	-81.7	119.7	153.8	-73	-165.1	157.1	0	0	106.5	K111 K115	K111-E113 PolarHBondContact O-N 3.32Å; K111-E113 VanDerWaalsContact O-N 3.15Å; E113-K115 PolarHBondContact O-N 2.82Å
114	A	48.6	Very low	72.3	Confident	92 Å²	92	87.2 Å²	87.2	76%	0.76	50%	0.5	S	S	*	.			trans	-50.7	107.7	175.4	0	0	0	0	0	109.2	E116	A114-E116 PolarHBondContact O-N 3.11Å
115	K	52.1	Low	70.3	Confident	172 Å²	172	93 Å²	93	75%	0.748	53%	0.533	S	S	*	.			trans	-67.7	93.7	161.8	-81.6	177.3	179.4	162.5	0	106.2	E2 E113	E2-K115 IonicContact OE1-NZ 3.13Å; E2-K115 PolarHBondContact OE1-NZ 3.27Å; E2-K115 VanDerWaalsContact OE1-NZ 3.13Å; E113-K115 PolarHBondContact O-N 2.82Å
116	E	38.2	Very low	68	Low	188 Å²	188	100.8 Å²	100.8	88%	0.879	58%	0.578	S	S	*	*			trans	-55.1	135.6	156.4	-76.8	-174.4	152.3	0	0	107.9	A114	A114-E116 PolarHBondContact O-N 3.11Å
117	A	33.1	Very low	65.4	Low	174 Å²	174	108.8 Å²	108.8	100%	1.438	62%	0.624	S	S	*	*			trans	-62.1	0	-161	0	0	0	0	0	115.3

Retrieved 117 of 117 residues in 52.7 ms (Link to these results)

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