A0A5K4EE48_SCHMA Loading...

Adenylate kinase isoenzyme 6 homolog

Broad-specificity nucleoside monophosphate (NMP) kinase that catalyzes the reversible transfer of the terminal phosphate group between nucleoside triphosphates and monophosphates. Has also ATPase activity. Involved in the late cytoplasmic maturation steps of the 40S ribosomal particles, specifically 18S rRNA maturation. While NMP activity is not required for ribosome maturation, ATPase activity is. Associates transiently with small ribosomal subunit protein uS11. ATP hydrolysis breaks the interaction with uS11. May temporarily remove uS11 from the ribosome to enable a conformational change of the ribosomal RNA that is needed for the final maturation step of the small ribosomal subunit. Its NMP activity may have a role in nuclear energy homeostasis.

AlphaFold DB , UniProt , Accession A0A5K4EE48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 163 aa.

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(Predicted Aligned Error values between residue pairs)

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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	40.3	Very low	77.8	Confident	228 Å²	228	61.4 Å²	61.4	100%	1.123	36%	0.36	S	S	*	.				0	145.8	0	-63.5	-169	177	0	0	106.7	T3	M1-T3 PolarHBondContact O-N 3.07Å
2	P	44.7	Very low	79.5	Confident	132 Å²	132	56.3 Å²	56.3	86%	0.857	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-57	119.4	172.1	-13.1	26.7	0	0	0	106.9	A4	P2-A4 PolarHBondContact O-N 3.02Å
3	T	51.9	Low	80.7	Confident	112 Å²	112	51.9 Å²	51.9	69%	0.687	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-55.9	128.7	172.1	-20.4	0	0	0	0	106.6	M1 T5	M1-T3 PolarHBondContact O-N 3.07Å; T3-T5 PolarHBondContact O-N 3.48Å
4	A	57.9	Low	81.6	Confident	43 Å²	43	48.9 Å²	48.9	36%	0.355	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-49.7	134.2	171.9	0	0	0	0	0	108.4	P2 L6	P2-A4 PolarHBondContact O-N 3.02Å; A4-L6 PolarHBondContact O-N 3.22Å
5	T	78.7	Confident	82.3	Confident	109 Å²	109	47.3 Å²	47.3	67%	0.669	28%	0.278	S	S	*	.	S	Bend	trans	-78.3	-13.1	-174.6	49	0	0	0	0	112.7	T3 H159	T3-T5 PolarHBondContact O-N 3.48Å; T5-H159 PolarHBondContact O-ND1 3.03Å
6	L	92.8	Very high	83	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.209	27%	0.265	C	S	.	.	S	Bend	trans	-139.1	145	-177.2	-66.1	175.3	0	0	0	110.2	A4 S31 G76	A4-L6 PolarHBondContact O-N 3.22Å; L6-S31 WeakPolarHBondContact CD2-OG 3.26Å; L6-G76 PolarHBondContact O-N 3.01Å; L6-G76 VanDerWaalsContact O-N 3.16Å
7	P	96.5	Very high	83.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.249	C	C	.	.			trans	-74.5	153.9	-178.2	27.5	-27.7	0	0	0	111.2	I9 L32 G76 D93 W154 I155 W158	P7-I9 HydrophobicContact CB-CG2 4.5Å; P7-L32 HydrophobicContact CG-CD2 4.35Å; P7-L32 VanDerWaalsContact O-CD2 3.29Å; P7-L32 WeakPolarHBondContact O-CD2 3.37Å; P7-G76 VanDerWaalsContact O-CA 3.23Å; P7-G76 WeakPolarHBondContact O-CA 3.45Å; P7-G76 PolarHBondContact O-N 2.82Å; P7-D93 VanDerWaalsContact CA-OD2 3.26Å; P7-D93 WeakPolarHBondContact CA-OD2 3.36Å; P7-D93 HydrophobicContact CB-CB 4.03Å; P7-W154 HydrophobicContact CB-CH2 4.12Å; P7-W154 HydrophobicContact CB-CZ3 3.87Å; P7-W154 HydrophobicContact CG-CZ3 3.99Å; P7-I155 HydrophobicContact CG-CG2 4.34Å; P7-W158 HydrophobicContact CB-CD2 3.6Å; P7-W158 HydrophobicContact CB-CE3 3.82Å; P7-W158 HydrophobicContact CB-CG 4.02Å; P7-W158 HydrophobicContact CB-CH2 4.27Å; P7-W158 HydrophobicContact CB-CZ2 4.05Å; P7-W158 HydrophobicContact CB-CZ3 4.17Å; P7-W158 VanDerWaalsContact CD-CE3 3.43Å; P7-W158 HydrophobicContact CG-CD2 3.9Å; P7-W158 HydrophobicContact CG-CE3 3.74Å; P7-W158 HydrophobicContact CG-CG 4.25Å; P7-W158 HydrophobicContact CG-CZ3 4.25Å
8	N	97.7	Very high	84.4	Confident	11 Å²	11	40.8 Å²	40.8	6%	0.059	25%	0.246	C	C	.	.			trans	-98.3	132.2	161.7	-72.4	-25.7	0	0	0	109.4	M72 G75 G76 Q77 W91 F92 D93	N8-M72 HydrophobicContact CB-CE 3.82Å; N8-M72 PolarHBondContact ND2-O 2.91Å; N8-G75 VanDerWaalsContact OD1-CA 3.24Å; N8-G75 WeakPolarHBondContact OD1-CA 3.42Å; N8-G76 PolarHBondContact OD1-N 3.5Å; N8-Q77 CarbonylContact C-O 3.58Å; N8-Q77 WeakPolarHBondContact CA-O 3.49Å; N8-Q77 WeakPolarHBondContact OD1-CB 3.2Å; N8-Q77 WeakPolarHBondContact OD1-CG 3.44Å; N8-Q77 PolarHBondContact OD1-N 2.99Å; N8-W91 WeakPolarHBondContact CB-O 3.18Å; N8-W91 PolarHBondContact ND2-O 3.3Å; N8-F92 HydrophobicContact CB-CD1 4.38Å; N8-D93 PolarHBondContact N-OD2 2.91Å; N8-D93 PolarHBondContact O-N 3.26Å
9	I	98.3	Very high	85.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145	176.3	69.3	171.3	0	0	0	111.4	P7 I11 L32 Q77 I78 V79 A94 F96 I151 W154 I155	P7-I9 HydrophobicContact CB-CG2 4.5Å; I9-I11 HydrophobicContact CD1-CD1 4.32Å; I9-I11 HydrophobicContact CD1-CG1 4.43Å; I9-L32 HydrophobicContact CG1-CD2 4.27Å; I9-Q77 PolarHBondContact N-O 2.72Å; I9-I78 HydrophobicContact CD1-CG1 3.97Å; I9-I78 HydrophobicContact CD1-CG2 4.42Å; I9-I78 HydrophobicContact CG1-CB 4.24Å; I9-I78 HydrophobicContact CG1-CG1 3.78Å; I9-I78 HydrophobicContact CG1-CG2 4.21Å; I9-I78 WeakPolarHBondContact O-CA 3.4Å; I9-V79 PolarHBondContact O-N 2.83Å; I9-A94 VanDerWaalsContact CA-O 3.29Å; I9-A94 WeakPolarHBondContact CA-O 3.26Å; I9-A94 HydrophobicContact CG2-CB 4.12Å; I9-F96 HydrophobicContact CB-CD2 4.39Å; I9-F96 HydrophobicContact CB-CE2 4.19Å; I9-F96 HydrophobicContact CD1-CD2 4.23Å; I9-F96 HydrophobicContact CD1-CE2 4.02Å; I9-F96 HydrophobicContact CG2-CE2 4.18Å; I9-I151 HydrophobicContact CD1-CG2 3.61Å; I9-W154 HydrophobicContact CG2-CE3 4.14Å; I9-W154 HydrophobicContact CG2-CH2 4.14Å; I9-W154 HydrophobicContact CG2-CZ3 3.5Å; I9-W154 VanDerWaalsContact CG2-CZ3 3.5Å; I9-I155 HydrophobicContact CD1-CD1 4.16Å
10	L	98.6	Very high	85.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.6	169.9	178	58.5	0	0	0	109.3	T12 V79 C84 F87 F92 A94 V95 F96 Y128	L10-T12 HydrophobicContact CD2-CG2 4.38Å; L10-T12 HydrophobicContact CG-CG2 4.38Å; L10-V79 HydrophobicContact CD1-CB 3.97Å; L10-V79 HydrophobicContact CD1-CG1 3.81Å; L10-V79 WeakPolarHBondContact CD1-O 3.39Å; L10-C84 HydrophobicContact CD2-CB 3.47Å; L10-C84 VanDerWaalsContact CD2-CB 3.47Å; L10-F87 HydrophobicContact CD1-CE2 4.21Å; L10-F87 HydrophobicContact CD2-CD2 4.25Å; L10-F92 HydrophobicContact CB-CD1 3.72Å; L10-F92 HydrophobicContact CB-CD2 4.19Å; L10-F92 HydrophobicContact CB-CE1 3.71Å; L10-F92 HydrophobicContact CB-CE2 4.17Å; L10-F92 HydrophobicContact CB-CG 3.96Å; L10-F92 HydrophobicContact CB-CZ 3.94Å; L10-F92 HydrophobicContact CD1-CZ 4.23Å; L10-F92 HydrophobicContact CD2-CD2 4.36Å; L10-F92 HydrophobicContact CD2-CE2 3.98Å; L10-F92 HydrophobicContact CD2-CZ 4.23Å; L10-F92 HydrophobicContact CG-CZ 4.36Å; L10-A94 PolarHBondContact N-O 3.38Å; L10-V95 HydrophobicContact CB-CB 4.47Å; L10-V95 HydrophobicContact CB-CG1 4.27Å; L10-V95 HydrophobicContact CB-CG2 4.16Å; L10-V95 HydrophobicContact CD2-CG1 3.98Å; L10-V95 HydrophobicContact CD2-CG2 4.39Å; L10-V95 HydrophobicContact CG-CG1 4.25Å; L10-V95 CarbonylContact O-C 3.58Å; L10-F96 PolarHBondContact O-N 3.18Å; L10-Y128 HydrophobicContact CD2-CE2 4.27Å
11	I	98.6	Very high	86.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	105.9	168.5	-58.9	-178.5	0	0	0	107.3	I9 K19 I22 S23 I78 V79 Y81 F96 L98 I151	I9-I11 HydrophobicContact CD1-CD1 4.32Å; I9-I11 HydrophobicContact CD1-CG1 4.43Å; I11-K19 HydrophobicContact CG2-CB 4.13Å; I11-K19 HydrophobicContact CG2-CG 4.36Å; I11-I22 HydrophobicContact CD1-CG2 4.09Å; I11-S23 WeakPolarHBondContact CB-OG 3.32Å; I11-S23 WeakPolarHBondContact CD1-OG 3.17Å; I11-I78 HydrophobicContact CD1-CG2 3.78Å; I11-I78 HydrophobicContact CG1-CG2 4.18Å; I11-V79 PolarHBondContact N-O 2.88Å; I11-Y81 PolarHBondContact O-N 3.01Å; I11-F96 WeakPolarHBondContact CA-O 3.37Å; I11-F96 HydrophobicContact CG1-CB 4.39Å; I11-F96 HydrophobicContact CG1-CD2 4.46Å; I11-L98 HydrophobicContact CG2-CD1 4.22Å; I11-L98 HydrophobicContact CG2-CG 4.22Å; I11-I151 HydrophobicContact CD1-CD1 4.08Å
12	T	97.7	Very high	89.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	177.3	-175.6	-166	0	0	0	0	112.2	L10 K19 Y81 C84 V95 F96 V97 L98 V120	L10-T12 HydrophobicContact CD2-CG2 4.38Å; L10-T12 HydrophobicContact CG-CG2 4.38Å; T12-K19 VanDerWaalsContact C-CD 3.44Å; T12-Y81 WeakPolarHBondContact CA-O 3.29Å; T12-Y81 PolarHBondContact OG1-O 2.93Å; T12-C84 HydrophobicContact CG2-CB 4.41Å; T12-V95 HydrophobicContact CG2-CG1 4.08Å; T12-F96 PolarHBondContact N-O 3.47Å; T12-V97 HydrophobicContact CG2-CB 4.43Å; T12-V97 HydrophobicContact CG2-CG1 4.45Å; T12-V97 HydrophobicContact CG2-CG2 3.88Å; T12-L98 PolarHBondContact O-N 2.97Å; T12-V120 HydrophobicContact CG2-CG1 3.97Å; T12-V120 VanDerWaalsContact OG1-CG1 3.31Å; T12-V120 WeakPolarHBondContact OG1-CG1 3.37Å
13	G	95.8	Very high	91.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.9	165	-174.5	0	0	0	0	0	113	K19	G13-K19 WeakPolarHBondContact O-CD 3.3Å; G13-K19 WeakPolarHBondContact O-CE 2.95Å; G13-K19 PolarHBondContact O-NZ 3.05Å
14	T	93.4	Very high	93.9	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	15%	0.15	C	C	.	.	S	Bend	trans	-55.6	146.3	-179	-45.6	0	0	0	0	111.4	G16 T17 K19 L105 K118	T14-G16 PolarHBondContact O-N 3.35Å; T14-T17 WeakPolarHBondContact O-CB 3.24Å; T14-T17 VanDerWaalsContact O-CG2 3.22Å; T14-T17 WeakPolarHBondContact O-CG2 3.49Å; T14-T17 PolarHBondContact O-N 3.06Å; T14-T17 PolarHBondContact O-OG1 3.04Å; T14-K19 PolarHBondContact O-NZ 3.33Å; T14-K19 VanDerWaalsContact O-NZ 3.16Å; T14-L105 HydrophobicContact CG2-CD2 4.07Å; T14-K118 PolarHBondContact OG1-O 2.98Å
15	P	92.4	Very high	95.9	Very high	24 Å²	24	25.1 Å²	25.1	16%	0.156	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	138.4	172.7	-29.6	37	0	0	0	112.2	H82 L105 L109 Y114	P15-H82 HydrophobicContact CG-CB 4.18Å; P15-L105 WeakPolarHBondContact O-CD1 2.94Å; P15-L109 HydrophobicContact CB-CD2 4.09Å; P15-L109 WeakPolarHBondContact O-CD2 3.36Å; P15-Y114 HydrophobicContact CB-CD2 4.34Å; P15-Y114 HydrophobicContact CB-CE2 4.13Å
16	G	92.5	Very high	96.8	Very high	6 Å²	6	19.9 Å²	19.9	6%	0.062	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-3.6	-179	0	0	0	0	0	116.3	T14 G18 R108	T14-G16 PolarHBondContact O-N 3.35Å; G16-G18 VanDerWaalsContact C-N 3.3Å; G16-G18 PolarHBondContact O-N 3.29Å; G16-R108 WeakPolarHBondContact O-CD 3.29Å; G16-R108 PolarHBondContact O-NH1 3.23Å; G16-R108 VanDerWaalsContact O-NH1 3.16Å
17	T	95.5	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-77.4	-8.7	176.6	58.2	0	0	0	0	114.7	T14 T100 L105 N138	T14-T17 WeakPolarHBondContact O-CB 3.24Å; T14-T17 VanDerWaalsContact O-CG2 3.22Å; T14-T17 WeakPolarHBondContact O-CG2 3.49Å; T14-T17 PolarHBondContact O-N 3.06Å; T14-T17 PolarHBondContact O-OG1 3.04Å; T17-T100 WeakPolarHBondContact CA-OG1 3.31Å; T17-L105 HydrophobicContact CG2-CD1 4.13Å; T17-N138 PolarHBondContact O-ND2 3.07Å
18	G	96.4	Very high	97.2	Very high	19 Å²	19	28.9 Å²	28.9	20%	0.196	15%	0.147	C	C	.	.	S	Bend	trans	101.8	9.9	174.4	0	0	0	0	0	116.5	G16 T20 T21 I22	G16-G18 VanDerWaalsContact C-N 3.3Å; G16-G18 PolarHBondContact O-N 3.29Å; G18-T20 PolarHBondContact O-N 2.83Å; G18-T21 PolarHBondContact O-N 3.37Å; G18-T21 VanDerWaalsContact O-N 3.1Å; G18-I22 PolarHBondContact O-N 3.42Å; G18-I22 VanDerWaalsContact O-N 3.08Å
19	K	98	Very high	97.1	Very high	14 Å²	14	33.5 Å²	33.5	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-46.2	-54.9	-178.4	-57.3	-177.4	-66.4	-71.9	0	114	I11 T12 G13 T14 T21 I22 S23 D80 Y81 L98	I11-K19 HydrophobicContact CG2-CB 4.13Å; I11-K19 HydrophobicContact CG2-CG 4.36Å; T12-K19 VanDerWaalsContact C-CD 3.44Å; G13-K19 WeakPolarHBondContact O-CD 3.3Å; G13-K19 WeakPolarHBondContact O-CE 2.95Å; G13-K19 PolarHBondContact O-NZ 3.05Å; T14-K19 PolarHBondContact O-NZ 3.33Å; T14-K19 VanDerWaalsContact O-NZ 3.16Å; K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 2.85Å; K19-I22 PolarHBondContact O-N 3.43Å; K19-S23 WeakPolarHBondContact O-CB 3.37Å; K19-S23 PolarHBondContact O-N 3.24Å; K19-S23 PolarHBondContact O-OG 3.36Å; K19-D80 WeakPolarHBondContact CB-OD1 3.48Å; K19-D80 WeakPolarHBondContact CE-OD1 3.34Å; K19-Y81 WeakPolarHBondContact CD-O 3.3Å; K19-Y81 WeakPolarHBondContact CE-O 3.33Å; K19-L98 HydrophobicContact CB-CD1 4.26Å; K19-L98 HydrophobicContact CG-CD1 3.89Å; K19-L98 HydrophobicContact CG-CG 4.39Å
20	T	98.1	Very high	97	Very high	59 Å²	59	35 Å²	35	36%	0.362	18%	0.175	S	C	.	.	H	α-helix	trans	-61	-38.1	-177.6	-52.1	0	0	0	0	113.1	G18 K24 D80	G18-T20 PolarHBondContact O-N 2.83Å; T20-K24 HydrophobicContact CG2-CD 4.07Å; T20-K24 WeakPolarHBondContact O-CB 3.29Å; T20-K24 VanDerWaalsContact O-CG 3.28Å; T20-K24 WeakPolarHBondContact O-CG 3.48Å; T20-K24 PolarHBondContact O-N 3.03Å; T20-K24 VanDerWaalsContact O-N 3.15Å; T20-D80 WeakPolarHBondContact CA-OD2 3.48Å; T20-D80 VanDerWaalsContact CB-OD2 3.29Å; T20-D80 WeakPolarHBondContact CB-OD2 3.22Å; T20-D80 PolarHBondContact N-OD2 3.48Å; T20-D80 VanDerWaalsContact N-OD2 3.14Å; T20-D80 PolarHBondContact OG1-OD2 3.04Å
21	T	98.1	Very high	96.6	Very high	82 Å²	82	38.7 Å²	38.7	50%	0.503	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-47.4	177.1	-54.1	0	0	0	0	110.6	G18 K19 E25 L144	G18-T21 PolarHBondContact O-N 3.37Å; G18-T21 VanDerWaalsContact O-N 3.1Å; K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 2.85Å; T21-E25 WeakPolarHBondContact O-CB 3.49Å; T21-E25 PolarHBondContact O-N 3.4Å; T21-L144 HydrophobicContact CG2-CD1 4.04Å; T21-L144 HydrophobicContact CG2-CD2 3.95Å
22	I	98.7	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-49.6	179	-67.5	-172.8	0	0	0	110.6	I11 G18 K19 K24 E25 V26 L98 L144 N147 I148 I151	I11-I22 HydrophobicContact CD1-CG2 4.09Å; G18-I22 PolarHBondContact O-N 3.42Å; G18-I22 VanDerWaalsContact O-N 3.08Å; K19-I22 PolarHBondContact O-N 3.43Å; I22-K24 VanDerWaalsContact C-N 3.35Å; I22-K24 PolarHBondContact O-N 2.79Å; I22-E25 PolarHBondContact O-N 3.13Å; I22-E25 VanDerWaalsContact O-N 3.12Å; I22-V26 HydrophobicContact CG2-CG2 3.97Å; I22-V26 WeakPolarHBondContact O-CB 3.41Å; I22-V26 VanDerWaalsContact O-CG2 3.31Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 3.26Å; I22-L98 HydrophobicContact CD1-CD1 3.75Å; I22-L98 HydrophobicContact CD1-CD2 3.91Å; I22-L98 HydrophobicContact CG1-CD1 4.44Å; I22-L144 HydrophobicContact CD1-CD1 4Å; I22-L144 HydrophobicContact CG1-CD1 3.46Å; I22-L144 VanDerWaalsContact CG1-CD1 3.46Å; I22-L144 HydrophobicContact CG1-CG 4.41Å; I22-N147 HydrophobicContact CD1-CB 3.73Å; I22-I148 HydrophobicContact CB-CG1 4.4Å; I22-I148 HydrophobicContact CG1-CG1 4.18Å; I22-I148 HydrophobicContact CG2-CG1 4.15Å; I22-I151 HydrophobicContact CG2-CD1 3.57Å
23	S	98.7	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-44.2	-176.4	-53.1	0	0	0	0	112.3	I11 K19 S27 Y34	I11-S23 WeakPolarHBondContact CB-OG 3.32Å; I11-S23 WeakPolarHBondContact CD1-OG 3.17Å; K19-S23 WeakPolarHBondContact O-CB 3.37Å; K19-S23 PolarHBondContact O-N 3.24Å; K19-S23 PolarHBondContact O-OG 3.36Å; S23-S27 WeakPolarHBondContact O-CB 3.29Å; S23-S27 PolarHBondContact O-N 3.19Å; S23-Y34 VanDerWaalsContact CB-CE2 3.46Å
24	K	98.5	Very high	96.7	Very high	104 Å²	104	46.1 Å²	46.1	45%	0.452	24%	0.236	S	C	.	.	H	α-helix	trans	-65.5	-40.5	176.3	-73	-180	177.9	-176.4	0	112.3	T20 I22 S27 R28 Y34	T20-K24 HydrophobicContact CG2-CD 4.07Å; T20-K24 WeakPolarHBondContact O-CB 3.29Å; T20-K24 VanDerWaalsContact O-CG 3.28Å; T20-K24 WeakPolarHBondContact O-CG 3.48Å; T20-K24 PolarHBondContact O-N 3.03Å; T20-K24 VanDerWaalsContact O-N 3.15Å; I22-K24 VanDerWaalsContact C-N 3.35Å; I22-K24 PolarHBondContact O-N 2.79Å; K24-S27 PolarHBondContact O-N 3.41Å; K24-R28 WeakPolarHBondContact O-CG 3.23Å; K24-R28 PolarHBondContact O-N 3.45Å; K24-Y34 HydrophobicContact CG-CD1 4.17Å; K24-Y34 HydrophobicContact CG-CD2 4.26Å; K24-Y34 HydrophobicContact CG-CE1 4.07Å; K24-Y34 HydrophobicContact CG-CE2 4.13Å; K24-Y34 HydrophobicContact CG-CG 4.25Å
25	E	98.5	Very high	97	Very high	49 Å²	49	46.6 Å²	46.6	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-73.4	-38.1	-179.2	-169.8	59.8	-163.6	0	0	112.1	T21 I22 R28 R29 I148	T21-E25 WeakPolarHBondContact O-CB 3.49Å; T21-E25 PolarHBondContact O-N 3.4Å; I22-E25 PolarHBondContact O-N 3.13Å; I22-E25 VanDerWaalsContact O-N 3.12Å; E25-R28 PolarHBondContact O-N 3.05Å; E25-R29 VanDerWaalsContact O-CG 3.31Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 3.13Å; E25-R29 IonicContact OE1-CZ 3.14Å; E25-R29 VanDerWaalsContact OE1-CZ 3.29Å; E25-R29 IonicContact OE1-NE 2.98Å; E25-R29 PolarHBondContact OE1-NE 2.69Å; E25-R29 IonicContact OE1-NH2 3.67Å; E25-R29 PolarHBondContact OE1-NH2 3.14Å; E25-I148 HydrophobicContact CB-CD1 3.88Å; E25-I148 HydrophobicContact CB-CG1 4.25Å; E25-I148 HydrophobicContact CB-CG2 4.48Å; E25-I148 HydrophobicContact CG-CD1 3.7Å; E25-I148 HydrophobicContact CG-CG1 4.3Å; E25-I148 HydrophobicContact CG-CG2 3.97Å
26	V	98.6	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-44.7	171.5	173.5	0	0	0	0	110.4	I22 R28 R29 S30 I78 I148 I151 I155	I22-V26 HydrophobicContact CG2-CG2 3.97Å; I22-V26 WeakPolarHBondContact O-CB 3.41Å; I22-V26 VanDerWaalsContact O-CG2 3.31Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 3.26Å; V26-R28 VanDerWaalsContact C-N 3.31Å; V26-R28 PolarHBondContact O-N 2.91Å; V26-R29 CarbonylContact O-C 3.55Å; V26-R29 PolarHBondContact O-N 3.34Å; V26-R29 VanDerWaalsContact O-N 3.11Å; V26-S30 VanDerWaalsContact O-CB 3.29Å; V26-S30 WeakPolarHBondContact O-CB 3.49Å; V26-S30 PolarHBondContact O-N 2.87Å; V26-S30 PolarHBondContact O-OG 2.82Å; V26-I78 HydrophobicContact CB-CD1 4.23Å; V26-I78 HydrophobicContact CG1-CD1 3.77Å; V26-I148 HydrophobicContact CG2-CG2 4.21Å; V26-I151 HydrophobicContact CB-CG2 4.49Å; V26-I151 HydrophobicContact CG1-CG2 3.74Å; V26-I151 HydrophobicContact CG2-CB 4.02Å; V26-I151 HydrophobicContact CG2-CD1 4.34Å; V26-I151 HydrophobicContact CG2-CG2 3.93Å; V26-I155 HydrophobicContact CG1-CD1 3.55Å
27	S	98.2	Very high	97.5	Very high	28 Å²	28	45.6 Å²	45.6	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-42.3	175	-179.7	0	0	0	0	111.7	S23 K24 R29 S30 L32 Y34	S23-S27 WeakPolarHBondContact O-CB 3.29Å; S23-S27 PolarHBondContact O-N 3.19Å; K24-S27 PolarHBondContact O-N 3.41Å; S27-R29 VanDerWaalsContact C-N 3.3Å; S27-R29 PolarHBondContact O-N 3.17Å; S27-S30 PolarHBondContact O-N 2.97Å; S27-L32 PolarHBondContact OG-O 3.25Å; S27-Y34 PolarHBondContact OG-N 3.32Å
28	R	97.9	Very high	97.5	Very high	201 Å²	201	49.3 Å²	49.3	76%	0.758	25%	0.251	S	S	*	.	H	α-helix	trans	-65.4	-28.5	175.9	-75	179.7	67	175.6	1.2	114.5	K24 E25 V26	K24-R28 WeakPolarHBondContact O-CG 3.23Å; K24-R28 PolarHBondContact O-N 3.45Å; E25-R28 PolarHBondContact O-N 3.05Å; V26-R28 VanDerWaalsContact C-N 3.31Å; V26-R28 PolarHBondContact O-N 2.91Å
29	R	97.2	Very high	97.5	Very high	107 Å²	107	51.8 Å²	51.8	40%	0.404	26%	0.26	S	S	.	.	H	α-helix	trans	-98.2	-1.9	-177	-66	-178.8	-169.7	-169.7	11.8	113.3	E25 V26 S27 E145	E25-R29 VanDerWaalsContact O-CG 3.31Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 3.13Å; E25-R29 IonicContact OE1-CZ 3.14Å; E25-R29 VanDerWaalsContact OE1-CZ 3.29Å; E25-R29 IonicContact OE1-NE 2.98Å; E25-R29 PolarHBondContact OE1-NE 2.69Å; E25-R29 IonicContact OE1-NH2 3.67Å; E25-R29 PolarHBondContact OE1-NH2 3.14Å; V26-R29 CarbonylContact O-C 3.55Å; V26-R29 PolarHBondContact O-N 3.34Å; V26-R29 VanDerWaalsContact O-N 3.11Å; S27-R29 VanDerWaalsContact C-N 3.3Å; S27-R29 PolarHBondContact O-N 3.17Å; R29-E145 IonicContact CZ-OE1 3.44Å; R29-E145 IonicContact CZ-OE2 2.96Å; R29-E145 IonicContact NH1-OE1 2.91Å; R29-E145 PolarHBondContact NH1-OE1 3.15Å; R29-E145 IonicContact NH1-OE2 3.84Å; R29-E145 IonicContact NH2-OE1 3.28Å; R29-E145 PolarHBondContact NH2-OE1 3.05Å; R29-E145 IonicContact NH2-OE2 3.61Å; R29-E145 PolarHBondContact NH2-OE2 2.76Å
30	S	95.3	Very high	97.5	Very high	33 Å²	33	52.3 Å²	52.3	23%	0.231	26%	0.264	C	S	.	.	S	Bend	trans	-130.4	-176.3	-179.8	68.6	0	0	0	0	110.4	V26 S27 L32	V26-S30 VanDerWaalsContact O-CB 3.29Å; V26-S30 WeakPolarHBondContact O-CB 3.49Å; V26-S30 PolarHBondContact O-N 2.87Å; V26-S30 PolarHBondContact O-OG 2.82Å; S27-S30 PolarHBondContact O-N 2.97Å; S30-L32 PolarHBondContact OG-N 3.15Å
31	S	90.8	Very high	97.4	Very high	77 Å²	77	49.6 Å²	49.6	54%	0.538	25%	0.247	S	C	.	.	S	Bend	trans	-97.1	11.8	173.5	56.3	0	0	0	0	113	L6	L6-S31 WeakPolarHBondContact CD2-OG 3.26Å
32	L	97.6	Very high	97.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-91	146	-177.1	-69	76.3	0	0	0	111.5	P7 I9 S27 S30 G76 I78 I155	P7-L32 HydrophobicContact CG-CD2 4.35Å; P7-L32 VanDerWaalsContact O-CD2 3.29Å; P7-L32 WeakPolarHBondContact O-CD2 3.37Å; I9-L32 HydrophobicContact CG1-CD2 4.27Å; S27-L32 PolarHBondContact OG-O 3.25Å; S30-L32 PolarHBondContact OG-N 3.15Å; L32-G76 CarbonylContact C-O 3.56Å; L32-G76 WeakPolarHBondContact CA-O 3.23Å; L32-G76 WeakPolarHBondContact CB-O 3.34Å; L32-I78 HydrophobicContact CB-CD1 3.62Å; L32-I78 HydrophobicContact CB-CG1 3.65Å; L32-I78 HydrophobicContact CD2-CD1 4.36Å; L32-I78 HydrophobicContact CD2-CG1 3.75Å; L32-I78 HydrophobicContact CG-CG1 4.36Å; L32-I155 HydrophobicContact CD1-CD1 4.02Å; L32-I155 HydrophobicContact CD1-CG1 4.33Å; L32-I155 HydrophobicContact CD1-CG2 3.57Å; L32-I155 HydrophobicContact CD2-CD1 4.25Å; L32-I155 HydrophobicContact CD2-CG1 4.48Å
33	N	98.1	Very high	97.2	Very high	100 Å²	100	60.5 Å²	60.5	54%	0.535	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.8	179.9	-67.7	-41	0	0	0	110.9	G76 Q77 I78	N33-G76 PolarHBondContact N-O 3.3Å; N33-Q77 CarbonylContact O-C 3.51Å; N33-I78 PolarHBondContact O-N 3.44Å
34	Y	98.6	Very high	97.1	Very high	53 Å²	53	62.1 Å²	62.1	21%	0.208	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.4	175.2	169.4	-102.7	0	0	0	111.5	S23 K24 S27 S36 D80	S23-Y34 VanDerWaalsContact CB-CE2 3.46Å; K24-Y34 HydrophobicContact CG-CD1 4.17Å; K24-Y34 HydrophobicContact CG-CD2 4.26Å; K24-Y34 HydrophobicContact CG-CE1 4.07Å; K24-Y34 HydrophobicContact CG-CE2 4.13Å; K24-Y34 HydrophobicContact CG-CG 4.25Å; S27-Y34 PolarHBondContact OG-N 3.32Å; Y34-S36 WeakPolarHBondContact OH-CB 3.49Å; Y34-D80 HydrophobicContact CE2-CB 3.67Å; Y34-D80 PolarHBondContact OH-OD2 3.35Å
35	I	98.5	Very high	97	Very high	20 Å²	20	64.4 Å²	64.4	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122	173.6	-60.6	-178.6	0	0	0	108.9	I37 V40 L68 A71 Q77 I78 D80	I35-I37 HydrophobicContact CG2-CD1 4.34Å; I35-V40 HydrophobicContact CG2-CG2 3.82Å; I35-L68 HydrophobicContact CD1-CD2 4.13Å; I35-L68 HydrophobicContact CG2-CD2 3.81Å; I35-A71 HydrophobicContact CD1-CB 4.24Å; I35-Q77 HydrophobicContact CD1-CB 4.14Å; I35-Q77 HydrophobicContact CD1-CG 4.12Å; I35-I78 PolarHBondContact N-O 3.33Å; I35-D80 PolarHBondContact O-N 3.25Å
36	S	98.2	Very high	97	Very high	10 Å²	10	62.4 Å²	62.4	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.8	173.2	176.2	0	0	0	0	109.1	Y34 N38 D39 V40	Y34-S36 WeakPolarHBondContact OH-CB 3.49Å; S36-N38 PolarHBondContact O-N 2.8Å; S36-D39 WeakPolarHBondContact CB-OD2 3.36Å; S36-D39 PolarHBondContact O-N 3.13Å; S36-D39 VanDerWaalsContact OG-CG 3.24Å; S36-D39 PolarHBondContact OG-N 2.86Å; S36-D39 PolarHBondContact OG-OD2 3.26Å; S36-V40 WeakPolarHBondContact O-CG2 3.39Å; S36-V40 PolarHBondContact O-N 3.45Å
37	I	97.7	Very high	96.8	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-30.4	-179.1	-60.6	-63.3	0	0	0	111.6	I35 D39 A41 L59 I64 L68 V79 D80 Y81 F86 F87	I35-I37 HydrophobicContact CG2-CD1 4.34Å; I37-D39 VanDerWaalsContact C-N 3.32Å; I37-D39 PolarHBondContact O-N 3.01Å; I37-A41 VanDerWaalsContact O-CB 3.29Å; I37-A41 WeakPolarHBondContact O-CB 3.33Å; I37-A41 PolarHBondContact O-N 2.94Å; I37-L59 HydrophobicContact CG2-CD1 3.9Å; I37-I64 HydrophobicContact CD1-CG2 4.3Å; I37-I64 HydrophobicContact CG2-CD1 4.46Å; I37-I64 HydrophobicContact CG2-CG2 4.2Å; I37-L68 HydrophobicContact CD1-CD1 3.31Å; I37-V79 HydrophobicContact CD1-CG1 3.7Å; I37-V79 HydrophobicContact CG1-CG1 3.64Å; I37-D80 PolarHBondContact N-O 2.97Å; I37-Y81 HydrophobicContact CB-CD1 4.48Å; I37-Y81 HydrophobicContact CB-CD2 3.45Å; I37-Y81 VanDerWaalsContact CB-CD2 3.45Å; I37-Y81 HydrophobicContact CB-CE2 4.09Å; I37-Y81 HydrophobicContact CB-CG 3.68Å; I37-Y81 HydrophobicContact CG1-CD2 4.28Å; I37-Y81 HydrophobicContact CG1-CG 4.02Å; I37-Y81 HydrophobicContact CG2-CD1 4.12Å; I37-Y81 HydrophobicContact CG2-CD2 3.56Å; I37-Y81 HydrophobicContact CG2-CE1 4.33Å; I37-Y81 HydrophobicContact CG2-CE2 3.73Å; I37-Y81 HydrophobicContact CG2-CG 3.76Å; I37-F86 HydrophobicContact CG2-CZ 4.49Å; I37-F87 HydrophobicContact CD1-CE1 3.95Å; I37-F87 HydrophobicContact CD1-CZ 3.92Å; I37-F87 HydrophobicContact CG1-CE1 4.4Å; I37-F87 HydrophobicContact CG1-CZ 3.86Å
38	N	95.3	Very high	96.6	Very high	77 Å²	77	69.9 Å²	69.9	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-37.2	172.7	-65.5	-50.3	0	0	0	112.3	S36 K42 Y81	S36-N38 PolarHBondContact O-N 2.8Å; N38-K42 VanDerWaalsContact O-CB 3.28Å; N38-K42 WeakPolarHBondContact O-CB 3.36Å; N38-K42 PolarHBondContact O-N 3.13Å; N38-K42 VanDerWaalsContact O-N 3.16Å; N38-Y81 WeakPolarHBondContact OD1-CE2 3.18Å
39	D	97.3	Very high	96.4	Very high	71 Å²	71	62.3 Å²	62.3	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-75.3	-42.9	179.7	-62.1	-36	0	0	0	110.1	S36 I37 A41 K42 E43	S36-D39 WeakPolarHBondContact CB-OD2 3.36Å; S36-D39 PolarHBondContact O-N 3.13Å; S36-D39 VanDerWaalsContact OG-CG 3.24Å; S36-D39 PolarHBondContact OG-N 2.86Å; S36-D39 PolarHBondContact OG-OD2 3.26Å; I37-D39 VanDerWaalsContact C-N 3.32Å; I37-D39 PolarHBondContact O-N 3.01Å; D39-A41 PolarHBondContact O-N 3.48Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-K42 VanDerWaalsContact O-N 3.16Å; D39-E43 WeakPolarHBondContact O-CB 3.44Å; D39-E43 VanDerWaalsContact O-CG 3.3Å; D39-E43 WeakPolarHBondContact O-CG 3.44Å; D39-E43 PolarHBondContact O-N 3.13Å
40	V	97.8	Very high	96.2	Very high	26 Å²	26	61.7 Å²	61.7	16%	0.158	33%	0.326	C	S	.	.	H	α-helix	trans	-56.3	-48.8	173.8	175.3	0	0	0	0	111.1	I35 S36 K42 E43 G44 L46 I64 E67 L68	I35-V40 HydrophobicContact CG2-CG2 3.82Å; S36-V40 WeakPolarHBondContact O-CG2 3.39Å; S36-V40 PolarHBondContact O-N 3.45Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 2.95Å; V40-E43 PolarHBondContact O-N 3.43Å; V40-G44 PolarHBondContact O-N 3.31Å; V40-L46 HydrophobicContact CG1-CD1 4.03Å; V40-I64 HydrophobicContact CG1-CD1 4.06Å; V40-E67 HydrophobicContact CG1-CB 4.49Å; V40-E67 HydrophobicContact CG1-CG 3.94Å; V40-L68 HydrophobicContact CG1-CD2 4.41Å; V40-L68 HydrophobicContact CG2-CD2 4.21Å
41	A	96.7	Very high	95.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-40.5	177.9	0	0	0	0	0	112.9	I37 D39 E45 L46 Y47 L59 I64	I37-A41 VanDerWaalsContact O-CB 3.29Å; I37-A41 WeakPolarHBondContact O-CB 3.33Å; I37-A41 PolarHBondContact O-N 2.94Å; D39-A41 PolarHBondContact O-N 3.48Å; A41-E45 CarbonylContact O-C 3.58Å; A41-E45 WeakPolarHBondContact O-CA 3.32Å; A41-E45 PolarHBondContact O-N 2.73Å; A41-E45 VanDerWaalsContact O-N 3.08Å; A41-L46 PolarHBondContact O-N 2.85Å; A41-Y47 HydrophobicContact CB-CE1 3.88Å; A41-L59 HydrophobicContact CB-CD2 3.37Å; A41-I64 HydrophobicContact CB-CD1 3.78Å
42	K	95.9	Very high	95.7	Very high	147 Å²	147	65.6 Å²	65.6	64%	0.639	33%	0.333	S	S	*	.	H	α-helix	trans	-72.4	-43.1	-178.8	-176.8	-177	176	-172.2	0	112.3	N38 D39 V40 Y47	N38-K42 VanDerWaalsContact O-CB 3.28Å; N38-K42 WeakPolarHBondContact O-CB 3.36Å; N38-K42 PolarHBondContact O-N 3.13Å; N38-K42 VanDerWaalsContact O-N 3.16Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-K42 VanDerWaalsContact O-N 3.16Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 2.95Å; K42-Y47 VanDerWaalsContact CA-OH 3.23Å; K42-Y47 WeakPolarHBondContact CA-OH 3.03Å; K42-Y47 PolarHBondContact N-OH 3.01Å
43	E	96.8	Very high	95	Very high	164 Å²	164	69.5 Å²	69.5	77%	0.766	37%	0.366	S	S	*	.	H	α-helix	trans	-71.1	-36.5	-178.3	-71.7	175.9	-174.9	0	0	111.8	D39 V40	D39-E43 WeakPolarHBondContact O-CB 3.44Å; D39-E43 VanDerWaalsContact O-CG 3.3Å; D39-E43 WeakPolarHBondContact O-CG 3.44Å; D39-E43 PolarHBondContact O-N 3.13Å; V40-E43 PolarHBondContact O-N 3.43Å
44	G	96.2	Very high	94.1	Very high	34 Å²	34	67.9 Å²	67.9	35%	0.351	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.7	176.9	0	0	0	0	0	115.2	V40 L46	V40-G44 PolarHBondContact O-N 3.31Å; G44-L46 VanDerWaalsContact O-CD2 3.25Å; G44-L46 WeakPolarHBondContact O-CD2 3.42Å; G44-L46 PolarHBondContact O-N 3.34Å
45	E	96.3	Very high	93.4	Very high	153 Å²	153	72.4 Å²	72.4	72%	0.715	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	48	-169.8	-59.8	-177.7	170.5	0	0	111.5	A41 Y47 R63	A41-E45 CarbonylContact O-C 3.58Å; A41-E45 WeakPolarHBondContact O-CA 3.32Å; A41-E45 PolarHBondContact O-N 2.73Å; A41-E45 VanDerWaalsContact O-N 3.08Å; E45-Y47 VanDerWaalsContact C-N 3.35Å; E45-Y47 PolarHBondContact O-N 2.95Å; E45-Y47 VanDerWaalsContact O-N 3.15Å; E45-R63 PolarHBondContact O-NH1 3.08Å
46	L	97.3	Very high	92.7	Very high	7 Å²	7	74.3 Å²	74.3	4%	0.037	40%	0.395	C	S	.	.			trans	-90.2	69	-173.9	-48.7	-179.5	0	0	0	110.6	V40 A41 G44 D60 R63 I64 E67	V40-L46 HydrophobicContact CG1-CD1 4.03Å; A41-L46 PolarHBondContact O-N 2.85Å; G44-L46 VanDerWaalsContact O-CD2 3.25Å; G44-L46 WeakPolarHBondContact O-CD2 3.42Å; G44-L46 PolarHBondContact O-N 3.34Å; L46-D60 PolarHBondContact O-N 3.43Å; L46-R63 HydrophobicContact CD2-CB 4.13Å; L46-I64 HydrophobicContact CB-CD1 3.91Å; L46-I64 HydrophobicContact CB-CG1 4.16Å; L46-I64 HydrophobicContact CD1-CD1 3.54Å; L46-I64 HydrophobicContact CD1-CG1 4.13Å; L46-I64 HydrophobicContact CG-CD1 4.32Å; L46-E67 HydrophobicContact CD1-CB 4.14Å; L46-E67 HydrophobicContact CD1-CG 4.34Å
47	Y	96.2	Very high	92.2	Very high	72 Å²	72	78.9 Å²	78.9	28%	0.282	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.9	-178.1	-55.1	-64.6	0	0	0	111.7	A41 K42 E45 H57 I58 L59	A41-Y47 HydrophobicContact CB-CE1 3.88Å; K42-Y47 VanDerWaalsContact CA-OH 3.23Å; K42-Y47 WeakPolarHBondContact CA-OH 3.03Å; K42-Y47 PolarHBondContact N-OH 3.01Å; E45-Y47 VanDerWaalsContact C-N 3.35Å; E45-Y47 PolarHBondContact O-N 2.95Å; E45-Y47 VanDerWaalsContact O-N 3.15Å; Y47-H57 HydrophobicContact CD1-CB 3.37Å; Y47-H57 HydrophobicContact CD2-CB 4.43Å; Y47-H57 HydrophobicContact CE1-CB 3.74Å; Y47-H57 HydrophobicContact CG-CB 3.75Å; Y47-I58 CarbonylContact C-O 3.49Å; Y47-I58 WeakPolarHBondContact CA-O 3.45Å; Y47-I58 WeakPolarHBondContact CB-O 3.31Å; Y47-L59 HydrophobicContact CD1-CD2 3.81Å; Y47-L59 HydrophobicContact CE1-CD2 3.67Å
48	D	93.9	Very high	91.9	Very high	112 Å²	112	82.6 Å²	82.6	60%	0.599	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	69.2	173.2	-171.8	23.1	0	0	0	110.6	I58 D60	D48-I58 PolarHBondContact N-O 3.27Å; D48-I58 WeakPolarHBondContact O-CB 2.69Å; D48-D60 HydrophobicContact CB-CB 4.17Å
49	G	93.1	Very high	91.8	Very high	42 Å²	42	79.9 Å²	79.9	43%	0.433	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.4	-160.9	178	0	0	0	0	0	115.1	H57 I58	G49-H57 PolarHBondContact O-ND1 3.23Å; G49-I58 PolarHBondContact O-N 2.97Å
50	Y	92	Very high	91.8	Very high	94 Å²	94	78.1 Å²	78.1	37%	0.369	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.3	-173.5	-172.1	-100.5	0	0	0	110.2	E52 Q55 C56 H57	Y50-E52 HydrophobicContact CD1-CG 4.19Å; Y50-E52 PolarHBondContact O-N 2.77Å; Y50-Q55 VanDerWaalsContact CZ-C 3.4Å; Y50-Q55 WeakPolarHBondContact OH-CA 3.4Å; Y50-Q55 WeakPolarHBondContact OH-CB 3.22Å; Y50-Q55 PolarHBondContact OH-O 3.41Å; Y50-C56 WeakPolarHBondContact CD2-O 3.32Å; Y50-H57 AromaticContact CD2-CE1 3.96Å; Y50-H57 AromaticContact CD2-ND1 3.88Å
51	D	87.8	Confident	91.7	Very high	45 Å²	45	80.9 Å²	80.9	24%	0.241	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	98.9	173.9	-176.8	-20.5	0	0	0	109	A53 N54 Q55 C56 I58	D51-A53 PolarHBondContact O-N 2.78Å; D51-A53 WeakPolarHBondContact OD1-CA 3.46Å; D51-A53 WeakPolarHBondContact OD1-CB 3.43Å; D51-A53 PolarHBondContact OD1-N 2.81Å; D51-N54 HydrophobicContact CB-CB 4.38Å; D51-N54 PolarHBondContact O-N 2.97Å; D51-N54 PolarHBondContact OD1-N 3.26Å; D51-N54 PolarHBondContact OD2-ND2 2.97Å; D51-Q55 VanDerWaalsContact O-CA 3.27Å; D51-Q55 WeakPolarHBondContact O-CA 3.35Å; D51-Q55 PolarHBondContact O-N 3.16Å; D51-C56 PolarHBondContact N-O 3.39Å; D51-C56 PolarHBondContact O-N 3.06Å; D51-I58 HydrophobicContact CB-CD1 4.31Å; D51-I58 HydrophobicContact CB-CG1 4Å
52	E	88.3	Confident	91.7	Very high	147 Å²	147	87 Å²	87	69%	0.687	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29	177.6	-68.5	-69.6	177.3	0	0	113.2	Y50	Y50-E52 HydrophobicContact CD1-CG 4.19Å; Y50-E52 PolarHBondContact O-N 2.77Å
53	A	82.3	Confident	91.8	Very high	84 Å²	84	84.9 Å²	84.9	69%	0.694	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-34	-178.5	0	0	0	0	0	111.9	D51	D51-A53 PolarHBondContact O-N 2.78Å; D51-A53 WeakPolarHBondContact OD1-CA 3.46Å; D51-A53 WeakPolarHBondContact OD1-CB 3.43Å; D51-A53 PolarHBondContact OD1-N 2.81Å
54	N	79.9	Confident	91.8	Very high	66 Å²	66	77.1 Å²	77.1	35%	0.353	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-5	176.6	-69.2	-52.6	0	0	0	113.9	D51 C56 R116	D51-N54 HydrophobicContact CB-CB 4.38Å; D51-N54 PolarHBondContact O-N 2.97Å; D51-N54 PolarHBondContact OD1-N 3.26Å; D51-N54 PolarHBondContact OD2-ND2 2.97Å; N54-C56 VanDerWaalsContact C-N 3.29Å; N54-C56 PolarHBondContact O-N 2.94Å; N54-R116 PolarHBondContact OD1-NH2 2.96Å
55	Q	82.9	Confident	91.9	Very high	149 Å²	149	76.6 Å²	76.6	70%	0.696	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	41.1	-176.8	-55.5	-164.6	-84.1	0	0	113.6	Y50 D51	Y50-Q55 VanDerWaalsContact CZ-C 3.4Å; Y50-Q55 WeakPolarHBondContact OH-CA 3.4Å; Y50-Q55 WeakPolarHBondContact OH-CB 3.22Å; Y50-Q55 PolarHBondContact OH-O 3.41Å; D51-Q55 VanDerWaalsContact O-CA 3.27Å; D51-Q55 WeakPolarHBondContact O-CA 3.35Å; D51-Q55 PolarHBondContact O-N 3.16Å
56	C	84.3	Confident	92	Very high	60 Å²	60	75.2 Å²	75.2	41%	0.405	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.2	179.9	67.3	0	0	0	0	112.3	Y50 D51 N54	Y50-C56 WeakPolarHBondContact CD2-O 3.32Å; D51-C56 PolarHBondContact N-O 3.39Å; D51-C56 PolarHBondContact O-N 3.06Å; N54-C56 VanDerWaalsContact C-N 3.29Å; N54-C56 PolarHBondContact O-N 2.94Å
57	H	88.3	Confident	92	Very high	105 Å²	105	80.9 Å²	80.9	49%	0.486	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.9	170.3	-72.4	-77.1	0	0	0	110.9	Y47 G49 Y50	Y47-H57 HydrophobicContact CD1-CB 3.37Å; Y47-H57 HydrophobicContact CD2-CB 4.43Å; Y47-H57 HydrophobicContact CE1-CB 3.74Å; Y47-H57 HydrophobicContact CG-CB 3.75Å; G49-H57 PolarHBondContact O-ND1 3.23Å; Y50-H57 AromaticContact CD2-CE1 3.96Å; Y50-H57 AromaticContact CD2-ND1 3.88Å
58	I	91.4	Very high	92.1	Very high	78 Å²	78	77.8 Å²	77.8	40%	0.4	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.3	170.2	-59.7	171	0	0	0	106.5	Y47 D48 G49 D51	Y47-I58 CarbonylContact C-O 3.49Å; Y47-I58 WeakPolarHBondContact CA-O 3.45Å; Y47-I58 WeakPolarHBondContact CB-O 3.31Å; D48-I58 PolarHBondContact N-O 3.27Å; D48-I58 WeakPolarHBondContact O-CB 2.69Å; G49-I58 PolarHBondContact O-N 2.97Å; D51-I58 HydrophobicContact CB-CD1 4.31Å; D51-I58 HydrophobicContact CB-CG1 4Å
59	L	94	Very high	92.2	Very high	20 Å²	20	74.9 Å²	74.9	11%	0.105	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.2	175.7	-71	-163.4	0	0	0	110.4	I37 A41 Y47 E61 Y81	I37-L59 HydrophobicContact CG2-CD1 3.9Å; A41-L59 HydrophobicContact CB-CD2 3.37Å; Y47-L59 HydrophobicContact CD1-CD2 3.81Å; Y47-L59 HydrophobicContact CE1-CD2 3.67Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 HydrophobicContact CB-CG 4.37Å; L59-E61 PolarHBondContact O-N 3.35Å; L59-Y81 HydrophobicContact CD1-CE1 4.03Å; L59-Y81 HydrophobicContact CD1-CE2 3.97Å; L59-Y81 VanDerWaalsContact CD1-CZ 3.4Å; L59-Y81 WeakPolarHBondContact CD1-OH 3.12Å
60	D	96.4	Very high	92.4	Very high	34 Å²	34	79.2 Å²	79.2	18%	0.182	40%	0.404	C	S	.	.			trans	-81	89.1	162.5	-168.5	-41.6	0	0	0	107.8	L46 D48 D62 R63 I64	L46-D60 PolarHBondContact O-N 3.43Å; D48-D60 HydrophobicContact CB-CB 4.17Å; D60-D62 VanDerWaalsContact C-N 3.33Å; D60-D62 PolarHBondContact O-N 2.93Å; D60-R63 HydrophobicContact CB-CB 4.19Å; D60-R63 HydrophobicContact CB-CG 4.45Å; D60-R63 PolarHBondContact O-N 3.09Å; D60-R63 WeakPolarHBondContact OD1-CB 3.44Å; D60-R63 WeakPolarHBondContact OD1-CG 3.41Å; D60-R63 PolarHBondContact OD1-N 3.2Å; D60-R63 VanDerWaalsContact OD1-N 3.08Å; D60-R63 WeakPolarHBondContact OD2-CD 3.47Å; D60-R63 IonicContact OD2-NH1 3.85Å; D60-I64 VanDerWaalsContact O-CG1 3.22Å; D60-I64 WeakPolarHBondContact O-CG1 3.38Å; D60-I64 PolarHBondContact O-N 3.2Å
61	E	95.5	Very high	92.6	Very high	84 Å²	84	76.3 Å²	76.3	39%	0.393	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-38.9	-172.4	-67.4	-179.7	165.4	0	0	112.3	L59 I64 V65 F86	L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 HydrophobicContact CB-CG 4.37Å; L59-E61 PolarHBondContact O-N 3.35Å; E61-I64 PolarHBondContact O-N 2.89Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 3.5Å; E61-F86 HydrophobicContact CB-CB 3.98Å; E61-F86 HydrophobicContact CB-CD2 3.75Å; E61-F86 HydrophobicContact CB-CE2 4.37Å; E61-F86 HydrophobicContact CB-CG 3.83Å; E61-F86 HydrophobicContact CG-CB 4.1Å; E61-F86 HydrophobicContact CG-CD1 3.91Å; E61-F86 HydrophobicContact CG-CD2 4.01Å; E61-F86 HydrophobicContact CG-CE1 4.35Å; E61-F86 HydrophobicContact CG-CE2 4.41Å; E61-F86 HydrophobicContact CG-CG 3.74Å; E61-F86 WeakPolarHBondContact OE1-CD1 3.38Å; E61-F86 WeakPolarHBondContact OE2-CB 3.47Å
62	D	96.6	Very high	93	Very high	130 Å²	130	74.4 Å²	74.4	70%	0.695	39%	0.388	S	S	*	.	H	α-helix	trans	-63.2	-46.2	177.4	-73.6	-24.8	0	0	0	110.9	D60 I64 V65 D66	D60-D62 VanDerWaalsContact C-N 3.33Å; D60-D62 PolarHBondContact O-N 2.93Å; D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.34Å; D62-V65 PolarHBondContact O-N 2.92Å; D62-D66 PolarHBondContact O-N 3.18Å
63	R	97.8	Very high	93.4	Very high	103 Å²	103	70.9 Å²	70.9	39%	0.389	38%	0.38	S	S	.	.	H	α-helix	trans	-68.5	-30.6	177.1	-70.1	171.7	69	-154.8	-3.8	113.1	E45 L46 D60 V65 E67	E45-R63 PolarHBondContact O-NH1 3.08Å; L46-R63 HydrophobicContact CD2-CB 4.13Å; D60-R63 HydrophobicContact CB-CB 4.19Å; D60-R63 HydrophobicContact CB-CG 4.45Å; D60-R63 PolarHBondContact O-N 3.09Å; D60-R63 WeakPolarHBondContact OD1-CB 3.44Å; D60-R63 WeakPolarHBondContact OD1-CG 3.41Å; D60-R63 PolarHBondContact OD1-N 3.2Å; D60-R63 VanDerWaalsContact OD1-N 3.08Å; D60-R63 WeakPolarHBondContact OD2-CD 3.47Å; D60-R63 IonicContact OD2-NH1 3.85Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-E67 WeakPolarHBondContact O-CB 3.47Å; R63-E67 PolarHBondContact O-N 2.83Å
64	I	97.8	Very high	93.9	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-42.5	172	-68.5	-80	0	0	0	109.9	I37 V40 A41 L46 D60 E61 D62 E67 L68 F86 F87	I37-I64 HydrophobicContact CD1-CG2 4.3Å; I37-I64 HydrophobicContact CG2-CD1 4.46Å; I37-I64 HydrophobicContact CG2-CG2 4.2Å; V40-I64 HydrophobicContact CG1-CD1 4.06Å; A41-I64 HydrophobicContact CB-CD1 3.78Å; L46-I64 HydrophobicContact CB-CD1 3.91Å; L46-I64 HydrophobicContact CB-CG1 4.16Å; L46-I64 HydrophobicContact CD1-CD1 3.54Å; L46-I64 HydrophobicContact CD1-CG1 4.13Å; L46-I64 HydrophobicContact CG-CD1 4.32Å; D60-I64 VanDerWaalsContact O-CG1 3.22Å; D60-I64 WeakPolarHBondContact O-CG1 3.38Å; D60-I64 PolarHBondContact O-N 3.2Å; E61-I64 PolarHBondContact O-N 2.89Å; D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.34Å; I64-E67 PolarHBondContact O-N 2.9Å; I64-L68 HydrophobicContact CG2-CD1 3.92Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.76Å; I64-F86 HydrophobicContact CB-CE2 4.31Å; I64-F86 HydrophobicContact CG2-CE2 3.8Å; I64-F86 HydrophobicContact CG2-CZ 4.33Å; I64-F87 HydrophobicContact CG2-CE1 4.45Å
65	V	97.8	Very high	94.7	Very high	23 Å²	23	68.4 Å²	68.4	14%	0.139	36%	0.364	C	S	.	.	H	α-helix	trans	-63.7	-47	177.4	170.4	0	0	0	0	110.6	E61 D62 R63 E67 L68 E69 F86 P88 W91	E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 3.5Å; D62-V65 PolarHBondContact O-N 2.92Å; R63-V65 VanDerWaalsContact C-N 3.33Å; V65-E67 PolarHBondContact O-N 2.93Å; V65-L68 PolarHBondContact O-N 2.74Å; V65-E69 PolarHBondContact O-N 3.3Å; V65-E69 VanDerWaalsContact O-N 3.09Å; V65-F86 HydrophobicContact CG2-CD2 4.01Å; V65-F86 HydrophobicContact CG2-CE2 4.48Å; V65-P88 HydrophobicContact CG1-CG 4Å; V65-W91 HydrophobicContact CB-CH2 4.22Å; V65-W91 HydrophobicContact CG1-CH2 3.89Å; V65-W91 HydrophobicContact CG1-CZ2 3.87Å; V65-W91 HydrophobicContact CG2-CH2 4.33Å; V65-W91 WeakPolarHBondContact O-CH2 3.33Å
66	D	97.7	Very high	95.3	Very high	124 Å²	124	61.4 Å²	61.4	66%	0.663	33%	0.332	S	S	*	.	H	α-helix	trans	-58.7	-43.7	177.7	-75	-18.2	0	0	0	112.4	D62 L68	D62-D66 PolarHBondContact O-N 3.18Å; D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 3.28Å
67	E	97.9	Very high	96	Very high	127 Å²	127	59.1 Å²	59.1	59%	0.593	32%	0.315	S	S	*	.	H	α-helix	trans	-65	-29.1	-180	-175	61.8	-155	0	0	112.7	V40 L46 R63 I64 V65	V40-E67 HydrophobicContact CG1-CB 4.49Å; V40-E67 HydrophobicContact CG1-CG 3.94Å; L46-E67 HydrophobicContact CD1-CB 4.14Å; L46-E67 HydrophobicContact CD1-CG 4.34Å; R63-E67 WeakPolarHBondContact O-CB 3.47Å; R63-E67 PolarHBondContact O-N 2.83Å; I64-E67 PolarHBondContact O-N 2.9Å; V65-E67 PolarHBondContact O-N 2.93Å
68	L	97.9	Very high	96.5	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-96.8	-14.7	-175.1	-65.8	175.4	0	0	0	114.1	I35 I37 V40 I64 V65 D66 D70 A71 M72 W91	I35-L68 HydrophobicContact CD1-CD2 4.13Å; I35-L68 HydrophobicContact CG2-CD2 3.81Å; I37-L68 HydrophobicContact CD1-CD1 3.31Å; V40-L68 HydrophobicContact CG1-CD2 4.41Å; V40-L68 HydrophobicContact CG2-CD2 4.21Å; I64-L68 HydrophobicContact CG2-CD1 3.92Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.76Å; V65-L68 PolarHBondContact O-N 2.74Å; D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 3.28Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 2.8Å; L68-A71 PolarHBondContact O-N 3.37Å; L68-A71 VanDerWaalsContact O-N 3.08Å; L68-M72 HydrophobicContact CB-CG 4.17Å; L68-M72 VanDerWaalsContact O-CG 3.32Å; L68-M72 WeakPolarHBondContact O-CG 3.31Å; L68-M72 PolarHBondContact O-N 2.84Å; L68-W91 HydrophobicContact CB-CH2 3.66Å; L68-W91 HydrophobicContact CB-CZ3 4.04Å; L68-W91 HydrophobicContact CD1-CZ3 4.35Å
69	E	97.1	Very high	96.8	Very high	51 Å²	51	50.4 Å²	50.4	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-53.8	-43	-172	-178.6	66.6	-161	0	0	112.8	V65 S73 R90 W91	V65-E69 PolarHBondContact O-N 3.3Å; V65-E69 VanDerWaalsContact O-N 3.09Å; E69-S73 WeakPolarHBondContact O-CB 3.3Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.13Å; E69-R90 VanDerWaalsContact CD-NH2 3.26Å; E69-R90 IonicContact OE1-CZ 3.62Å; E69-R90 IonicContact OE1-NH1 3.29Å; E69-R90 PolarHBondContact OE1-NH1 3.28Å; E69-R90 VanDerWaalsContact OE1-NH1 3.15Å; E69-R90 IonicContact OE1-NH2 2.71Å; E69-R90 PolarHBondContact OE1-NH2 2.86Å; E69-R90 IonicContact OE2-CZ 3.38Å; E69-R90 IonicContact OE2-NH2 2.69Å; E69-R90 PolarHBondContact OE2-NH2 2.95Å; E69-W91 HydrophobicContact CB-CZ2 4.41Å; E69-W91 WeakPolarHBondContact OE2-CZ2 3.29Å; E69-W91 PolarHBondContact OE2-NE1 2.99Å; E69-W91 VanDerWaalsContact OE2-NE1 3.14Å
70	D	96.2	Very high	97	Very high	133 Å²	133	49.5 Å²	49.5	71%	0.711	27%	0.269	S	S	*	.	H	α-helix	trans	-66.8	-42.7	179.6	-80.9	-10.6	0	0	0	112.3	L68 S74	L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 2.8Å; D70-S74 PolarHBondContact O-N 2.96Å; D70-S74 VanDerWaalsContact O-N 3.15Å; D70-S74 PolarHBondContact O-OG 2.81Å
71	A	96.6	Very high	97	Very high	32 Å²	32	48.8 Å²	48.8	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-44.8	178.8	0	0	0	0	0	111.1	I35 L68 S74 G75 Q77	I35-A71 HydrophobicContact CD1-CB 4.24Å; L68-A71 PolarHBondContact O-N 3.37Å; L68-A71 VanDerWaalsContact O-N 3.08Å; A71-S74 WeakPolarHBondContact O-CB 3.5Å; A71-S74 PolarHBondContact O-N 3.11Å; A71-G75 PolarHBondContact O-N 3.23Å; A71-Q77 HydrophobicContact CB-CG 4.49Å; A71-Q77 WeakPolarHBondContact O-CG 3.36Å; A71-Q77 PolarHBondContact O-NE2 2.69Å
72	M	97.3	Very high	96.9	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-39.5	179.1	-63.6	-54.7	-66.8	0	0	111.4	N8 L68 S74 G75 Q77 V79 W91 F92	N8-M72 HydrophobicContact CB-CE 3.82Å; N8-M72 PolarHBondContact ND2-O 2.91Å; L68-M72 HydrophobicContact CB-CG 4.17Å; L68-M72 VanDerWaalsContact O-CG 3.32Å; L68-M72 WeakPolarHBondContact O-CG 3.31Å; L68-M72 PolarHBondContact O-N 2.84Å; M72-S74 PolarHBondContact O-N 3.38Å; M72-G75 PolarHBondContact O-N 2.84Å; M72-G75 VanDerWaalsContact O-N 3.13Å; M72-Q77 HydrophobicContact CE-CB 4.41Å; M72-Q77 HydrophobicContact SD-CB 3.64Å; M72-Q77 HydrophobicContact SD-CG 3.68Å; M72-V79 HydrophobicContact CE-CG2 4Å; M72-V79 HydrophobicContact SD-CG2 3.73Å; M72-W91 HydrophobicContact CB-CD2 3.81Å; M72-W91 HydrophobicContact CB-CE3 4.29Å; M72-W91 HydrophobicContact CB-CG 3.98Å; M72-W91 HydrophobicContact CB-CZ2 4.28Å; M72-W91 HydrophobicContact CE-CB 3.76Å; M72-W91 HydrophobicContact CE-CD2 4.24Å; M72-W91 HydrophobicContact CE-CE3 4.07Å; M72-W91 HydrophobicContact CE-CG 4.17Å; M72-W91 HydrophobicContact CG-CD2 3.72Å; M72-W91 HydrophobicContact CG-CE3 3.66Å; M72-W91 HydrophobicContact CG-CG 4.28Å; M72-W91 HydrophobicContact CG-CH2 4.1Å; M72-W91 HydrophobicContact CG-CZ2 4.18Å; M72-W91 HydrophobicContact CG-CZ3 3.85Å; M72-W91 HydrophobicContact SD-CE3 4.48Å; M72-F92 HydrophobicContact CE-CD1 3.9Å; M72-F92 HydrophobicContact CE-CE1 3.44Å; M72-F92 VanDerWaalsContact CE-CE1 3.44Å; M72-F92 HydrophobicContact CE-CZ 4.07Å
73	S	95.1	Very high	96.6	Very high	73 Å²	73	41.6 Å²	41.6	51%	0.51	23%	0.226	S	C	.	.	H	α-helix	trans	-64.9	-27.4	175.2	-65.1	0	0	0	0	113.2	E69 G75	E69-S73 WeakPolarHBondContact O-CB 3.3Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.13Å; S73-G75 VanDerWaalsContact C-N 3.29Å
74	S	94.4	Very high	96.3	Very high	90 Å²	90	36.7 Å²	36.7	63%	0.629	21%	0.208	S	C	*	.	H	α-helix	trans	-76.2	-16.5	176.5	-60.5	0	0	0	0	113.4	D70 A71 M72	D70-S74 PolarHBondContact O-N 2.96Å; D70-S74 VanDerWaalsContact O-N 3.15Å; D70-S74 PolarHBondContact O-OG 2.81Å; A71-S74 WeakPolarHBondContact O-CB 3.5Å; A71-S74 PolarHBondContact O-N 3.11Å; M72-S74 PolarHBondContact O-N 3.38Å
75	G	94.8	Very high	95.9	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	23%	0.23	C	C	.	.			trans	75.7	174.1	-175.3	0	0	0	0	0	113.6	N8 A71 M72 S73 Q77	N8-G75 VanDerWaalsContact OD1-CA 3.24Å; N8-G75 WeakPolarHBondContact OD1-CA 3.42Å; A71-G75 PolarHBondContact O-N 3.23Å; M72-G75 PolarHBondContact O-N 2.84Å; M72-G75 VanDerWaalsContact O-N 3.13Å; S73-G75 VanDerWaalsContact C-N 3.29Å; G75-Q77 PolarHBondContact O-NE2 3.05Å
76	G	96.7	Very high	95.7	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	23%	0.23	C	C	.	.			trans	76.5	29.3	174	0	0	0	0	0	115.7	L6 P7 N8 L32 N33	L6-G76 PolarHBondContact O-N 3.01Å; L6-G76 VanDerWaalsContact O-N 3.16Å; P7-G76 VanDerWaalsContact O-CA 3.23Å; P7-G76 WeakPolarHBondContact O-CA 3.45Å; P7-G76 PolarHBondContact O-N 2.82Å; N8-G76 PolarHBondContact OD1-N 3.5Å; L32-G76 CarbonylContact C-O 3.56Å; L32-G76 WeakPolarHBondContact CA-O 3.23Å; L32-G76 WeakPolarHBondContact CB-O 3.34Å; N33-G76 PolarHBondContact N-O 3.3Å
77	Q	98.3	Very high	95.7	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.7	-178.7	-47.6	-52.8	-39.6	0	0	112.5	N8 I9 N33 I35 A71 M72 G75	N8-Q77 CarbonylContact C-O 3.58Å; N8-Q77 WeakPolarHBondContact CA-O 3.49Å; N8-Q77 WeakPolarHBondContact OD1-CB 3.2Å; N8-Q77 WeakPolarHBondContact OD1-CG 3.44Å; N8-Q77 PolarHBondContact OD1-N 2.99Å; I9-Q77 PolarHBondContact N-O 2.72Å; N33-Q77 CarbonylContact O-C 3.51Å; I35-Q77 HydrophobicContact CD1-CB 4.14Å; I35-Q77 HydrophobicContact CD1-CG 4.12Å; A71-Q77 HydrophobicContact CB-CG 4.49Å; A71-Q77 WeakPolarHBondContact O-CG 3.36Å; A71-Q77 PolarHBondContact O-NE2 2.69Å; M72-Q77 HydrophobicContact CE-CB 4.41Å; M72-Q77 HydrophobicContact SD-CB 3.64Å; M72-Q77 HydrophobicContact SD-CG 3.68Å; G75-Q77 PolarHBondContact O-NE2 3.05Å
78	I	98.7	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	105.4	165.6	-60.4	160.5	0	0	0	106.9	I9 I11 V26 L32 N33 I35	I9-I78 HydrophobicContact CD1-CG1 3.97Å; I9-I78 HydrophobicContact CD1-CG2 4.42Å; I9-I78 HydrophobicContact CG1-CB 4.24Å; I9-I78 HydrophobicContact CG1-CG1 3.78Å; I9-I78 HydrophobicContact CG1-CG2 4.21Å; I9-I78 WeakPolarHBondContact O-CA 3.4Å; I11-I78 HydrophobicContact CD1-CG2 3.78Å; I11-I78 HydrophobicContact CG1-CG2 4.18Å; V26-I78 HydrophobicContact CB-CD1 4.23Å; V26-I78 HydrophobicContact CG1-CD1 3.77Å; L32-I78 HydrophobicContact CB-CD1 3.62Å; L32-I78 HydrophobicContact CB-CG1 3.65Å; L32-I78 HydrophobicContact CD2-CD1 4.36Å; L32-I78 HydrophobicContact CD2-CG1 3.75Å; L32-I78 HydrophobicContact CG-CG1 4.36Å; N33-I78 PolarHBondContact O-N 3.44Å; I35-I78 PolarHBondContact N-O 3.33Å
79	V	98.6	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.1	176.9	179.2	0	0	0	0	109.5	I9 L10 I11 I37 M72 F87 F92	I9-V79 PolarHBondContact O-N 2.83Å; L10-V79 HydrophobicContact CD1-CB 3.97Å; L10-V79 HydrophobicContact CD1-CG1 3.81Å; L10-V79 WeakPolarHBondContact CD1-O 3.39Å; I11-V79 PolarHBondContact N-O 2.88Å; I37-V79 HydrophobicContact CD1-CG1 3.7Å; I37-V79 HydrophobicContact CG1-CG1 3.64Å; M72-V79 HydrophobicContact CE-CG2 4Å; M72-V79 HydrophobicContact SD-CG2 3.73Å; V79-F87 HydrophobicContact CG1-CE2 4.4Å; V79-F87 HydrophobicContact CG1-CZ 4.12Å; V79-F92 HydrophobicContact CB-CE1 3.91Å; V79-F92 HydrophobicContact CB-CZ 4.24Å; V79-F92 HydrophobicContact CG1-CZ 4.49Å; V79-F92 HydrophobicContact CG2-CE1 3.76Å; V79-F92 HydrophobicContact CG2-CZ 4.21Å
80	D	98.4	Very high	95.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115	172.4	175.9	8.2	0	0	0	110.3	K19 T20 Y34 I35 I37	K19-D80 WeakPolarHBondContact CB-OD1 3.48Å; K19-D80 WeakPolarHBondContact CE-OD1 3.34Å; T20-D80 WeakPolarHBondContact CA-OD2 3.48Å; T20-D80 VanDerWaalsContact CB-OD2 3.29Å; T20-D80 WeakPolarHBondContact CB-OD2 3.22Å; T20-D80 PolarHBondContact N-OD2 3.48Å; T20-D80 VanDerWaalsContact N-OD2 3.14Å; T20-D80 PolarHBondContact OG1-OD2 3.04Å; Y34-D80 HydrophobicContact CE2-CB 3.67Å; Y34-D80 PolarHBondContact OH-OD2 3.35Å; I35-D80 PolarHBondContact O-N 3.25Å; I37-D80 PolarHBondContact N-O 2.97Å
81	Y	96.9	Very high	95.4	Very high	18 Å²	18	36.8 Å²	36.8	7%	0.071	19%	0.193	C	C	.	.			trans	-151.6	170.9	170.1	-160	-131	0	0	0	112.7	I11 T12 K19 I37 N38 L59 S83 F86 F87	I11-Y81 PolarHBondContact O-N 3.01Å; T12-Y81 WeakPolarHBondContact CA-O 3.29Å; T12-Y81 PolarHBondContact OG1-O 2.93Å; K19-Y81 WeakPolarHBondContact CD-O 3.3Å; K19-Y81 WeakPolarHBondContact CE-O 3.33Å; I37-Y81 HydrophobicContact CB-CD1 4.48Å; I37-Y81 HydrophobicContact CB-CD2 3.45Å; I37-Y81 VanDerWaalsContact CB-CD2 3.45Å; I37-Y81 HydrophobicContact CB-CE2 4.09Å; I37-Y81 HydrophobicContact CB-CG 3.68Å; I37-Y81 HydrophobicContact CG1-CD2 4.28Å; I37-Y81 HydrophobicContact CG1-CG 4.02Å; I37-Y81 HydrophobicContact CG2-CD1 4.12Å; I37-Y81 HydrophobicContact CG2-CD2 3.56Å; I37-Y81 HydrophobicContact CG2-CE1 4.33Å; I37-Y81 HydrophobicContact CG2-CE2 3.73Å; I37-Y81 HydrophobicContact CG2-CG 3.76Å; N38-Y81 WeakPolarHBondContact OD1-CE2 3.18Å; L59-Y81 HydrophobicContact CD1-CE1 4.03Å; L59-Y81 HydrophobicContact CD1-CE2 3.97Å; L59-Y81 VanDerWaalsContact CD1-CZ 3.4Å; L59-Y81 WeakPolarHBondContact CD1-OH 3.12Å; Y81-S83 VanDerWaalsContact CD1-O 3.3Å; Y81-S83 WeakPolarHBondContact CD1-O 3.42Å; Y81-F86 AromaticContact CD1-CE1 3.89Å; Y81-F86 HydrophobicContact CD1-CE1 3.89Å; Y81-F86 HydrophobicContact CD1-CZ 4.11Å; Y81-F86 AromaticContact CE1-CE1 3.71Å; Y81-F86 HydrophobicContact CE1-CE1 3.71Å; Y81-F86 HydrophobicContact CE1-CZ 4.08Å; Y81-F87 HydrophobicContact CD1-CZ 4.37Å
82	H	92.3	Very high	95.4	Very high	59 Å²	59	35.9 Å²	35.9	27%	0.273	18%	0.183	S	C	.	.	S	Bend	trans	-103.9	-2.1	-177.9	67.6	-90.5	0	0	0	113.9	P15 V120	P15-H82 HydrophobicContact CG-CB 4.18Å; H82-V120 WeakPolarHBondContact O-CG2 3.32Å
83	S	90.2	Very high	95.4	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.035	20%	0.196	C	C	.	.			trans	-128.4	165.1	167.7	-159.5	0	0	0	0	108.5	Y81 E85 K118	Y81-S83 VanDerWaalsContact CD1-O 3.3Å; Y81-S83 WeakPolarHBondContact CD1-O 3.42Å; S83-E85 PolarHBondContact OG-OE1 3.08Å; S83-K118 PolarHBondContact OG-NZ 2.71Å
84	C	90.7	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.			trans	-145.7	-0.4	-177.8	62.8	0	0	0	0	115.2	L10 T12 F86 F87 Y128	L10-C84 HydrophobicContact CD2-CB 3.47Å; L10-C84 VanDerWaalsContact CD2-CB 3.47Å; T12-C84 HydrophobicContact CG2-CB 4.41Å; C84-F86 PolarHBondContact O-N 3.17Å; C84-F87 HydrophobicContact CB-CD2 4.49Å; C84-Y128 HydrophobicContact CB-CE2 3.87Å; C84-Y128 PolarHBondContact O-OH 3.43Å
85	E	90.8	Very high	95.7	Very high	103 Å²	103	30.6 Å²	30.6	48%	0.481	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.6	-170.8	65	-157.8	130.5	0	0	114.4	S83 K118	S83-E85 PolarHBondContact OG-OE1 3.08Å; E85-K118 IonicContact OE1-NZ 2.75Å; E85-K118 PolarHBondContact OE1-NZ 3.32Å; E85-K118 VanDerWaalsContact OE1-NZ 3.14Å
86	F	94.2	Very high	95.9	Very high	28 Å²	28	30.3 Å²	30.3	12%	0.123	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.2	-174.2	69.1	-91.2	0	0	0	114.1	I37 E61 I64 V65 Y81 C84	I37-F86 HydrophobicContact CG2-CZ 4.49Å; E61-F86 HydrophobicContact CB-CB 3.98Å; E61-F86 HydrophobicContact CB-CD2 3.75Å; E61-F86 HydrophobicContact CB-CE2 4.37Å; E61-F86 HydrophobicContact CB-CG 3.83Å; E61-F86 HydrophobicContact CG-CB 4.1Å; E61-F86 HydrophobicContact CG-CD1 3.91Å; E61-F86 HydrophobicContact CG-CD2 4.01Å; E61-F86 HydrophobicContact CG-CE1 4.35Å; E61-F86 HydrophobicContact CG-CE2 4.41Å; E61-F86 HydrophobicContact CG-CG 3.74Å; E61-F86 WeakPolarHBondContact OE1-CD1 3.38Å; E61-F86 WeakPolarHBondContact OE2-CB 3.47Å; I64-F86 HydrophobicContact CB-CE2 4.31Å; I64-F86 HydrophobicContact CG2-CE2 3.8Å; I64-F86 HydrophobicContact CG2-CZ 4.33Å; V65-F86 HydrophobicContact CG2-CD2 4.01Å; V65-F86 HydrophobicContact CG2-CE2 4.48Å; Y81-F86 AromaticContact CD1-CE1 3.89Å; Y81-F86 HydrophobicContact CD1-CE1 3.89Å; Y81-F86 HydrophobicContact CD1-CZ 4.11Å; Y81-F86 AromaticContact CE1-CE1 3.71Å; Y81-F86 HydrophobicContact CE1-CE1 3.71Å; Y81-F86 HydrophobicContact CE1-CZ 4.08Å; C84-F86 PolarHBondContact O-N 3.17Å
87	F	96.9	Very high	95.9	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.039	14%	0.137	C	C	.	.	S	Bend	trans	-76.2	141.4	176.4	-60.4	-58.4	0	0	0	110.8	L10 I37 I64 V79 Y81 C84 E89 W91 F92	L10-F87 HydrophobicContact CD1-CE2 4.21Å; L10-F87 HydrophobicContact CD2-CD2 4.25Å; I37-F87 HydrophobicContact CD1-CE1 3.95Å; I37-F87 HydrophobicContact CD1-CZ 3.92Å; I37-F87 HydrophobicContact CG1-CE1 4.4Å; I37-F87 HydrophobicContact CG1-CZ 3.86Å; I64-F87 HydrophobicContact CG2-CE1 4.45Å; V79-F87 HydrophobicContact CG1-CE2 4.4Å; V79-F87 HydrophobicContact CG1-CZ 4.12Å; Y81-F87 HydrophobicContact CD1-CZ 4.37Å; C84-F87 HydrophobicContact CB-CD2 4.49Å; F87-E89 PolarHBondContact O-N 2.99Å; F87-W91 HydrophobicContact CB-CE3 4.18Å; F87-W91 HydrophobicContact CD1-CE3 4.03Å; F87-W91 AromaticContact CD1-CZ3 3.67Å; F87-W91 HydrophobicContact CD1-CZ3 3.67Å; F87-W91 HydrophobicContact CE1-CZ3 4.38Å; F87-W91 HydrophobicContact CG-CE3 4.44Å; F87-W91 HydrophobicContact CG-CZ3 4.49Å; F87-F92 HydrophobicContact CB-CE2 3.61Å; F87-F92 HydrophobicContact CB-CZ 4.2Å; F87-F92 AromaticContact CD2-CE2 3.98Å; F87-F92 HydrophobicContact CD2-CE2 3.98Å; F87-F92 HydrophobicContact CD2-CZ 4.08Å; F87-F92 AromaticContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CZ 4.06Å
88	P	96.3	Very high	95.9	Very high	36 Å²	36	29.6 Å²	29.6	23%	0.234	13%	0.134	C	C	.	.			trans	-57	125.4	170.3	-25.3	34	0	0	0	111.9	V65 R90 W91	V65-P88 HydrophobicContact CG1-CG 4Å; P88-R90 HydrophobicContact CB-CG 4.04Å; P88-R90 PolarHBondContact O-N 3.18Å; P88-W91 HydrophobicContact CB-CD2 4.25Å; P88-W91 HydrophobicContact CB-CG 4.12Å; P88-W91 HydrophobicContact CG-CD2 4.02Å; P88-W91 HydrophobicContact CG-CG 4.39Å; P88-W91 HydrophobicContact CG-CZ2 4.03Å; P88-W91 VanDerWaalsContact O-CB 3.3Å; P88-W91 WeakPolarHBondContact O-CB 3.39Å; P88-W91 PolarHBondContact O-N 3.43Å
89	E	93.9	Very high	95.8	Very high	109 Å²	109	33.5 Å²	33.5	51%	0.509	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-51.1	-38.1	-179.5	-173.4	-176.6	-178.3	0	0	112.5	F87 W91 Y128 N129	F87-E89 PolarHBondContact O-N 2.99Å; E89-W91 PolarHBondContact O-N 3.49Å; E89-Y128 HydrophobicContact CG-CD1 3.97Å; E89-N129 PolarHBondContact OE1-N 3.42Å
90	R	94.4	Very high	95.6	Very high	175 Å²	175	33.9 Å²	33.9	66%	0.66	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-61.5	-13.3	-179.9	67.8	173.8	173	112.1	1.3	115.2	E69 P88	E69-R90 VanDerWaalsContact CD-NH2 3.26Å; E69-R90 IonicContact OE1-CZ 3.62Å; E69-R90 IonicContact OE1-NH1 3.29Å; E69-R90 PolarHBondContact OE1-NH1 3.28Å; E69-R90 VanDerWaalsContact OE1-NH1 3.15Å; E69-R90 IonicContact OE1-NH2 2.71Å; E69-R90 PolarHBondContact OE1-NH2 2.86Å; E69-R90 IonicContact OE2-CZ 3.38Å; E69-R90 IonicContact OE2-NH2 2.69Å; E69-R90 PolarHBondContact OE2-NH2 2.95Å; P88-R90 HydrophobicContact CB-CG 4.04Å; P88-R90 PolarHBondContact O-N 3.18Å
91	W	97	Very high	95.3	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.027	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-76.5	-24.3	-174.1	-82.6	1.7	0	0	0	113.8	N8 V65 L68 E69 M72 F87 P88 E89	N8-W91 WeakPolarHBondContact CB-O 3.18Å; N8-W91 PolarHBondContact ND2-O 3.3Å; V65-W91 HydrophobicContact CB-CH2 4.22Å; V65-W91 HydrophobicContact CG1-CH2 3.89Å; V65-W91 HydrophobicContact CG1-CZ2 3.87Å; V65-W91 HydrophobicContact CG2-CH2 4.33Å; V65-W91 WeakPolarHBondContact O-CH2 3.33Å; L68-W91 HydrophobicContact CB-CH2 3.66Å; L68-W91 HydrophobicContact CB-CZ3 4.04Å; L68-W91 HydrophobicContact CD1-CZ3 4.35Å; E69-W91 HydrophobicContact CB-CZ2 4.41Å; E69-W91 WeakPolarHBondContact OE2-CZ2 3.29Å; E69-W91 PolarHBondContact OE2-NE1 2.99Å; E69-W91 VanDerWaalsContact OE2-NE1 3.14Å; M72-W91 HydrophobicContact CB-CD2 3.81Å; M72-W91 HydrophobicContact CB-CE3 4.29Å; M72-W91 HydrophobicContact CB-CG 3.98Å; M72-W91 HydrophobicContact CB-CZ2 4.28Å; M72-W91 HydrophobicContact CE-CB 3.76Å; M72-W91 HydrophobicContact CE-CD2 4.24Å; M72-W91 HydrophobicContact CE-CE3 4.07Å; M72-W91 HydrophobicContact CE-CG 4.17Å; M72-W91 HydrophobicContact CG-CD2 3.72Å; M72-W91 HydrophobicContact CG-CE3 3.66Å; M72-W91 HydrophobicContact CG-CG 4.28Å; M72-W91 HydrophobicContact CG-CH2 4.1Å; M72-W91 HydrophobicContact CG-CZ2 4.18Å; M72-W91 HydrophobicContact CG-CZ3 3.85Å; M72-W91 HydrophobicContact SD-CE3 4.48Å; F87-W91 HydrophobicContact CB-CE3 4.18Å; F87-W91 HydrophobicContact CD1-CE3 4.03Å; F87-W91 AromaticContact CD1-CZ3 3.67Å; F87-W91 HydrophobicContact CD1-CZ3 3.67Å; F87-W91 HydrophobicContact CE1-CZ3 4.38Å; F87-W91 HydrophobicContact CG-CE3 4.44Å; F87-W91 HydrophobicContact CG-CZ3 4.49Å; P88-W91 HydrophobicContact CB-CD2 4.25Å; P88-W91 HydrophobicContact CB-CG 4.12Å; P88-W91 HydrophobicContact CG-CD2 4.02Å; P88-W91 HydrophobicContact CG-CG 4.39Å; P88-W91 HydrophobicContact CG-CZ2 4.03Å; P88-W91 VanDerWaalsContact O-CB 3.3Å; P88-W91 WeakPolarHBondContact O-CB 3.39Å; P88-W91 PolarHBondContact O-N 3.43Å; E89-W91 PolarHBondContact O-N 3.49Å
92	F	97.5	Very high	95	Very high	12 Å²	12	41.6 Å²	41.6	5%	0.053	19%	0.194	C	C	.	.			trans	-118.3	133.3	-168.7	-56.1	-68.3	0	0	0	112.9	N8 L10 M72 V79 F87 V95 Y128 I132	N8-F92 HydrophobicContact CB-CD1 4.38Å; L10-F92 HydrophobicContact CB-CD1 3.72Å; L10-F92 HydrophobicContact CB-CD2 4.19Å; L10-F92 HydrophobicContact CB-CE1 3.71Å; L10-F92 HydrophobicContact CB-CE2 4.17Å; L10-F92 HydrophobicContact CB-CG 3.96Å; L10-F92 HydrophobicContact CB-CZ 3.94Å; L10-F92 HydrophobicContact CD1-CZ 4.23Å; L10-F92 HydrophobicContact CD2-CD2 4.36Å; L10-F92 HydrophobicContact CD2-CE2 3.98Å; L10-F92 HydrophobicContact CD2-CZ 4.23Å; L10-F92 HydrophobicContact CG-CZ 4.36Å; M72-F92 HydrophobicContact CE-CD1 3.9Å; M72-F92 HydrophobicContact CE-CE1 3.44Å; M72-F92 VanDerWaalsContact CE-CE1 3.44Å; M72-F92 HydrophobicContact CE-CZ 4.07Å; V79-F92 HydrophobicContact CB-CE1 3.91Å; V79-F92 HydrophobicContact CB-CZ 4.24Å; V79-F92 HydrophobicContact CG1-CZ 4.49Å; V79-F92 HydrophobicContact CG2-CE1 3.76Å; V79-F92 HydrophobicContact CG2-CZ 4.21Å; F87-F92 HydrophobicContact CB-CE2 3.61Å; F87-F92 HydrophobicContact CB-CZ 4.2Å; F87-F92 AromaticContact CD2-CE2 3.98Å; F87-F92 HydrophobicContact CD2-CE2 3.98Å; F87-F92 HydrophobicContact CD2-CZ 4.08Å; F87-F92 AromaticContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CZ 4.06Å; F92-V95 HydrophobicContact CB-CG2 4.14Å; F92-Y128 AromaticContact CD2-CE1 3.61Å; F92-Y128 HydrophobicContact CD2-CE1 3.61Å; F92-Y128 AromaticContact CD2-CZ 3.96Å; F92-Y128 HydrophobicContact CE2-CE1 4.22Å; F92-I132 WeakPolarHBondContact O-CD1 3.15Å
93	D	96.7	Very high	95.1	Very high	57 Å²	57	44.4 Å²	44.4	31%	0.305	22%	0.215	S	C	.	.	S	Bend	trans	-85.5	-24.2	170.7	-59.1	-81.4	0	0	0	111.8	P7 N8 W154 W158	P7-D93 VanDerWaalsContact CA-OD2 3.26Å; P7-D93 WeakPolarHBondContact CA-OD2 3.36Å; P7-D93 HydrophobicContact CB-CB 4.03Å; N8-D93 PolarHBondContact N-OD2 2.91Å; N8-D93 PolarHBondContact O-N 3.26Å; D93-W154 HydrophobicContact CB-CH2 3.75Å; D93-W154 HydrophobicContact CB-CZ2 4.49Å; D93-W158 PolarHBondContact OD1-NE1 3.14Å
94	A	97.8	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.9	170.6	0	0	0	0	0	112.8	I9 L10 F96 W154	I9-A94 VanDerWaalsContact CA-O 3.29Å; I9-A94 WeakPolarHBondContact CA-O 3.26Å; I9-A94 HydrophobicContact CG2-CB 4.12Å; L10-A94 PolarHBondContact N-O 3.38Å; A94-F96 HydrophobicContact CB-CD2 4.42Å; A94-F96 HydrophobicContact CB-CE2 3.71Å; A94-F96 HydrophobicContact CB-CZ 3.96Å; A94-W154 HydrophobicContact CB-CD2 4.18Å; A94-W154 HydrophobicContact CB-CE3 4.28Å; A94-W154 HydrophobicContact CB-CH2 3.48Å; A94-W154 VanDerWaalsContact CB-CH2 3.48Å; A94-W154 HydrophobicContact CB-CZ2 3.3Å; A94-W154 HydrophobicContact CB-CZ3 3.97Å
95	V	98.4	Very high	95.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109	175.7	-179.8	0	0	0	0	108.9	L10 T12 F92 V97 A124 Y128 I132 V133 H134	L10-V95 HydrophobicContact CB-CB 4.47Å; L10-V95 HydrophobicContact CB-CG1 4.27Å; L10-V95 HydrophobicContact CB-CG2 4.16Å; L10-V95 HydrophobicContact CD2-CG1 3.98Å; L10-V95 HydrophobicContact CD2-CG2 4.39Å; L10-V95 HydrophobicContact CG-CG1 4.25Å; L10-V95 CarbonylContact O-C 3.58Å; T12-V95 HydrophobicContact CG2-CG1 4.08Å; F92-V95 HydrophobicContact CB-CG2 4.14Å; V95-V97 HydrophobicContact CG1-CG2 4.2Å; V95-A124 HydrophobicContact CG1-CB 4.3Å; V95-Y128 HydrophobicContact CG1-CD2 4.38Å; V95-Y128 HydrophobicContact CG2-CD1 3.94Å; V95-Y128 HydrophobicContact CG2-CD2 3.91Å; V95-Y128 HydrophobicContact CG2-CE1 4.18Å; V95-Y128 HydrophobicContact CG2-CE2 4.18Å; V95-Y128 HydrophobicContact CG2-CG 3.82Å; V95-I132 HydrophobicContact CG2-CD1 4.26Å; V95-I132 PolarHBondContact N-O 3.36Å; V95-V133 HydrophobicContact CB-CG2 4.31Å; V95-V133 CarbonylContact O-C 3.58Å; V95-V133 WeakPolarHBondContact O-CA 3.47Å; V95-H134 PolarHBondContact O-N 3.03Å
96	F	98.6	Very high	95.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.4	176.4	-61.3	-80.5	0	0	0	110.2	I9 L10 I11 T12 A94 H134 L136 I151 W154	I9-F96 HydrophobicContact CB-CD2 4.39Å; I9-F96 HydrophobicContact CB-CE2 4.19Å; I9-F96 HydrophobicContact CD1-CD2 4.23Å; I9-F96 HydrophobicContact CD1-CE2 4.02Å; I9-F96 HydrophobicContact CG2-CE2 4.18Å; L10-F96 PolarHBondContact O-N 3.18Å; I11-F96 WeakPolarHBondContact CA-O 3.37Å; I11-F96 HydrophobicContact CG1-CB 4.39Å; I11-F96 HydrophobicContact CG1-CD2 4.46Å; T12-F96 PolarHBondContact N-O 3.47Å; A94-F96 HydrophobicContact CB-CD2 4.42Å; A94-F96 HydrophobicContact CB-CE2 3.71Å; A94-F96 HydrophobicContact CB-CZ 3.96Å; F96-H134 CarbonylContact C-O 3.55Å; F96-H134 WeakPolarHBondContact CA-O 3.44Å; F96-H134 HydrophobicContact CD1-CB 3.59Å; F96-H134 HydrophobicContact CE1-CB 3.85Å; F96-H134 AromaticContact CE1-CD2 3.56Å; F96-H134 AromaticContact CE1-CG 3.89Å; F96-H134 AromaticContact CZ-CD2 3.96Å; F96-L136 HydrophobicContact CB-CD1 4.15Å; F96-L136 HydrophobicContact CD1-CD1 3.74Å; F96-L136 HydrophobicContact CD1-CG 4.3Å; F96-L136 HydrophobicContact CG-CD1 4.28Å; F96-I151 HydrophobicContact CB-CD1 4.45Å; F96-I151 HydrophobicContact CD1-CD1 4.41Å; F96-I151 HydrophobicContact CD1-CG1 3.86Å; F96-I151 HydrophobicContact CD2-CD1 4.41Å; F96-I151 HydrophobicContact CD2-CG1 4.16Å; F96-I151 HydrophobicContact CD2-CG2 4.33Å; F96-I151 HydrophobicContact CE1-CG1 3.91Å; F96-I151 HydrophobicContact CE2-CG1 4.2Å; F96-I151 HydrophobicContact CE2-CG2 3.95Å; F96-I151 HydrophobicContact CG-CD1 4.16Å; F96-I151 HydrophobicContact CG-CG1 4Å; F96-I151 HydrophobicContact CZ-CB 4.49Å; F96-I151 HydrophobicContact CZ-CG1 4.08Å; F96-I151 HydrophobicContact CZ-CG2 4.25Å; F96-W154 HydrophobicContact CE2-CE3 4.45Å; F96-W154 HydrophobicContact CZ-CB 4.18Å; F96-W154 AromaticContact CZ-CD2 3.94Å; F96-W154 HydrophobicContact CZ-CD2 3.94Å; F96-W154 HydrophobicContact CZ-CE3 4.23Å; F96-W154 AromaticContact CZ-CG 3.87Å; F96-W154 HydrophobicContact CZ-CG 3.87Å
97	V	98	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109	178.3	-171.5	0	0	0	0	109.6	T12 V95 L121 A124 V133 H134 L136	T12-V97 HydrophobicContact CG2-CB 4.43Å; T12-V97 HydrophobicContact CG2-CG1 4.45Å; T12-V97 HydrophobicContact CG2-CG2 3.88Å; V95-V97 HydrophobicContact CG1-CG2 4.2Å; V97-L121 HydrophobicContact CB-CD1 4.02Å; V97-L121 HydrophobicContact CG1-CB 4.1Å; V97-L121 HydrophobicContact CG1-CD1 4.08Å; V97-L121 HydrophobicContact CG2-CD1 4.06Å; V97-A124 HydrophobicContact CG2-CB 3.54Å; V97-V133 HydrophobicContact CG2-CG1 3.91Å; V97-H134 PolarHBondContact N-O 3.49Å; V97-L136 PolarHBondContact O-N 2.87Å
98	L	97.7	Very high	95.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.5	175.8	-59.3	-170.2	0	0	0	111.5	I11 T12 K19 I22 L136	I11-L98 HydrophobicContact CG2-CD1 4.22Å; I11-L98 HydrophobicContact CG2-CG 4.22Å; T12-L98 PolarHBondContact O-N 2.97Å; K19-L98 HydrophobicContact CB-CD1 4.26Å; K19-L98 HydrophobicContact CG-CD1 3.89Å; K19-L98 HydrophobicContact CG-CG 4.39Å; I22-L98 HydrophobicContact CD1-CD1 3.75Å; I22-L98 HydrophobicContact CD1-CD2 3.91Å; I22-L98 HydrophobicContact CG1-CD1 4.44Å; L98-L136 CarbonylContact C-O 3.6Å; L98-L136 WeakPolarHBondContact CA-O 3.31Å; L98-L136 HydrophobicContact CD2-CB 3.8Å; L98-L136 HydrophobicContact CD2-CD1 4.1Å
99	R	95.9	Very high	94.8	Very high	83 Å²	83	51.9 Å²	51.9	31%	0.313	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.6	176.5	-63.8	-66.8	-61.2	-87.5	14.4	110.2	E135 L136 I137 N138	R99-E135 HydrophobicContact CG-CG 3.82Å; R99-E135 WeakPolarHBondContact CG-OE1 3.27Å; R99-E135 IonicContact CZ-OE1 3.98Å; R99-E135 IonicContact NH1-OE1 3.05Å; R99-E135 PolarHBondContact NH1-OE1 2.79Å; R99-L136 PolarHBondContact N-O 2.81Å; R99-I137 HydrophobicContact CB-CD1 3.99Å; R99-I137 CarbonylContact O-C 3.56Å; R99-N138 PolarHBondContact O-N 3.47Å
100	T	94.6	Very high	94.5	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.049	24%	0.241	C	C	.	.			trans	-139.3	135.7	175.7	-60	0	0	0	0	107.5	T17 V104 L105 N138 N139	T17-T100 WeakPolarHBondContact CA-OG1 3.31Å; T100-V104 HydrophobicContact CG2-CB 3.78Å; T100-V104 HydrophobicContact CG2-CG1 3.76Å; T100-L105 HydrophobicContact CG2-CB 3.9Å; T100-L105 HydrophobicContact CG2-CD1 4.43Å; T100-N138 PolarHBondContact OG1-O 2.96Å; T100-N139 VanDerWaalsContact CA-OD1 3.27Å; T100-N139 WeakPolarHBondContact CA-OD1 3.19Å; T100-N139 WeakPolarHBondContact CG2-OD1 3.35Å
101	D	93.3	Very high	94.3	Very high	85 Å²	85	45.5 Å²	45.5	46%	0.455	24%	0.24	S	C	.	.			trans	-60.6	141	177.6	-64.8	-22.2	0	0	0	110.4	T103 V104 L105 N139	D101-T103 PolarHBondContact O-N 2.74Å; D101-T103 VanDerWaalsContact O-N 3.09Å; D101-V104 CarbonylContact O-C 3.59Å; D101-V104 WeakPolarHBondContact O-CA 3.28Å; D101-V104 PolarHBondContact O-N 2.95Å; D101-L105 PolarHBondContact O-N 3.15Å; D101-N139 VanDerWaalsContact CG-ND2 3.29Å; D101-N139 PolarHBondContact N-OD1 2.74Å; D101-N139 PolarHBondContact OD2-ND2 3.5Å
102	N	90.7	Very high	93.8	Very high	95 Å²	95	52.2 Å²	52.2	51%	0.508	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-29.5	-175.7	-73.7	21.9	0	0	0	113.3	V104 L105 Y106 E117	N102-V104 PolarHBondContact O-N 3.35Å; N102-L105 PolarHBondContact O-N 2.78Å; N102-Y106 WeakPolarHBondContact O-CB 3.34Å; N102-Y106 PolarHBondContact O-N 3.42Å; N102-E117 PolarHBondContact ND2-OE2 3.44Å
103	T	93.1	Very high	93	Very high	118 Å²	118	59 Å²	59	72%	0.724	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-26.5	175.1	56.5	0	0	0	0	112.8	D101 P107	D101-T103 PolarHBondContact O-N 2.74Å; D101-T103 VanDerWaalsContact O-N 3.09Å; T103-P107 WeakPolarHBondContact O-CD 3.41Å
104	V	94	Very high	92.1	Very high	44 Å²	44	62.3 Å²	62.3	27%	0.267	31%	0.311	S	S	.	.	H	α-helix	trans	-100.1	-39.4	177.6	179.5	0	0	0	0	111.2	T100 D101 N102 P107 R108	T100-V104 HydrophobicContact CG2-CB 3.78Å; T100-V104 HydrophobicContact CG2-CG1 3.76Å; D101-V104 CarbonylContact O-C 3.59Å; D101-V104 WeakPolarHBondContact O-CA 3.28Å; D101-V104 PolarHBondContact O-N 2.95Å; N102-V104 PolarHBondContact O-N 3.35Å; V104-P107 WeakPolarHBondContact O-CD 3.35Å; V104-R108 VanDerWaalsContact CG1-NH2 3.33Å; V104-R108 WeakPolarHBondContact O-CG 3.42Å
105	L	92.8	Very high	90.8	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-69.7	-42.9	-176.6	-172.1	59.2	0	0	0	112.2	T14 P15 T17 T100 D101 N102 R108 L109	T14-L105 HydrophobicContact CG2-CD2 4.07Å; P15-L105 WeakPolarHBondContact O-CD1 2.94Å; T17-L105 HydrophobicContact CG2-CD1 4.13Å; T100-L105 HydrophobicContact CG2-CB 3.9Å; T100-L105 HydrophobicContact CG2-CD1 4.43Å; D101-L105 PolarHBondContact O-N 3.15Å; N102-L105 PolarHBondContact O-N 2.78Å; L105-R108 CarbonylContact O-C 3.58Å; L105-R108 WeakPolarHBondContact O-CA 3.46Å; L105-R108 WeakPolarHBondContact O-CB 3.45Å; L105-R108 PolarHBondContact O-N 3.35Å; L105-L109 HydrophobicContact CD1-CG 4.27Å; L105-L109 HydrophobicContact CD2-CD1 4.36Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.13Å; L105-L109 PolarHBondContact O-N 2.81Å
106	Y	91.2	Very high	89.3	Confident	147 Å²	147	75 Å²	75	58%	0.576	38%	0.375	S	S	*	.	H	α-helix	trans	-59.7	-46.4	-176.6	-178.6	-93.7	0	0	0	113	N102 R108 L109 T110	N102-Y106 WeakPolarHBondContact O-CB 3.34Å; N102-Y106 PolarHBondContact O-N 3.42Å; Y106-R108 VanDerWaalsContact C-N 3.29Å; Y106-R108 PolarHBondContact O-N 2.76Å; Y106-L109 PolarHBondContact O-N 3.12Å; Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CD2-CG2 4.39Å; Y106-T110 HydrophobicContact CE1-CG2 3.68Å; Y106-T110 HydrophobicContact CE2-CG2 4.02Å; Y106-T110 HydrophobicContact CG-CG2 4.42Å; Y106-T110 WeakPolarHBondContact O-CB 3.49Å; Y106-T110 WeakPolarHBondContact O-CG2 3.42Å; Y106-T110 PolarHBondContact O-N 3.06Å; Y106-T110 PolarHBondContact O-OG1 2.79Å
107	P	91.9	Very high	87.8	Confident	68 Å²	68	79 Å²	79	44%	0.442	39%	0.394	S	S	.	.	H	α-helix	trans	-57.4	-36.4	170.1	-26.4	34.9	0	0	0	114.2	T103 V104 T110 S111	T103-P107 WeakPolarHBondContact O-CD 3.41Å; V104-P107 WeakPolarHBondContact O-CD 3.35Å; P107-T110 VanDerWaalsContact CA-OG1 3.3Å; P107-T110 WeakPolarHBondContact CA-OG1 3.25Å; P107-T110 PolarHBondContact O-OG1 3.18Å; P107-T110 VanDerWaalsContact O-OG1 3.09Å; P107-S111 WeakPolarHBondContact O-CB 2.94Å; P107-S111 PolarHBondContact O-N 2.79Å; P107-S111 VanDerWaalsContact O-N 3.1Å; P107-S111 PolarHBondContact O-OG 2.96Å
108	R	92.7	Very high	86.6	Confident	71 Å²	71	82.6 Å²	82.6	27%	0.268	41%	0.409	S	S	.	.	H	α-helix	trans	-70.2	-37.5	177.6	-66.1	175.7	-176.7	175.5	4.9	112.2	G16 V104 L105 Y106 S111 R112 N138 N139	G16-R108 WeakPolarHBondContact O-CD 3.29Å; G16-R108 PolarHBondContact O-NH1 3.23Å; G16-R108 VanDerWaalsContact O-NH1 3.16Å; V104-R108 VanDerWaalsContact CG1-NH2 3.33Å; V104-R108 WeakPolarHBondContact O-CG 3.42Å; L105-R108 CarbonylContact O-C 3.58Å; L105-R108 WeakPolarHBondContact O-CA 3.46Å; L105-R108 WeakPolarHBondContact O-CB 3.45Å; L105-R108 PolarHBondContact O-N 3.35Å; Y106-R108 VanDerWaalsContact C-N 3.29Å; Y106-R108 PolarHBondContact O-N 2.76Å; R108-S111 PolarHBondContact O-OG 3.08Å; R108-R112 WeakPolarHBondContact O-CG 3.29Å; R108-N138 PolarHBondContact NH1-O 2.98Å; R108-N139 PolarHBondContact NH2-O 3.31Å
109	L	90.3	Very high	85.7	Confident	5 Å²	5	86.3 Å²	86.3	3%	0.026	43%	0.432	C	S	.	.	H	α-helix	trans	-71.3	-48.8	177.6	-71.8	177.7	0	0	0	111.4	P15 L105 Y106 S111 R112 N113 Y114 E117	P15-L109 HydrophobicContact CB-CD2 4.09Å; P15-L109 WeakPolarHBondContact O-CD2 3.36Å; L105-L109 HydrophobicContact CD1-CG 4.27Å; L105-L109 HydrophobicContact CD2-CD1 4.36Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.13Å; L105-L109 PolarHBondContact O-N 2.81Å; Y106-L109 PolarHBondContact O-N 3.12Å; L109-S111 VanDerWaalsContact C-N 3.35Å; L109-S111 PolarHBondContact O-N 3.17Å; L109-R112 CarbonylContact O-C 3.41Å; L109-R112 WeakPolarHBondContact O-CA 2.99Å; L109-R112 PolarHBondContact O-N 3.04Å; L109-N113 PolarHBondContact O-N 3.45Å; L109-N113 VanDerWaalsContact O-N 3.16Å; L109-Y114 HydrophobicContact CD2-CD2 3.94Å; L109-Y114 HydrophobicContact CD2-CG 4.1Å; L109-Y114 PolarHBondContact O-N 3.14Å; L109-E117 HydrophobicContact CD1-CG 3.63Å
110	T	88.4	Confident	85.3	Confident	58 Å²	58	82.5 Å²	82.5	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-40.5	178.6	48.8	0	0	0	0	112.6	Y106 P107 R112 N113	Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CD2-CG2 4.39Å; Y106-T110 HydrophobicContact CE1-CG2 3.68Å; Y106-T110 HydrophobicContact CE2-CG2 4.02Å; Y106-T110 HydrophobicContact CG-CG2 4.42Å; Y106-T110 WeakPolarHBondContact O-CB 3.49Å; Y106-T110 WeakPolarHBondContact O-CG2 3.42Å; Y106-T110 PolarHBondContact O-N 3.06Å; Y106-T110 PolarHBondContact O-OG1 2.79Å; P107-T110 VanDerWaalsContact CA-OG1 3.3Å; P107-T110 WeakPolarHBondContact CA-OG1 3.25Å; P107-T110 PolarHBondContact O-OG1 3.18Å; P107-T110 VanDerWaalsContact O-OG1 3.09Å; T110-R112 PolarHBondContact O-N 3.27Å; T110-R112 VanDerWaalsContact O-N 3.13Å; T110-N113 PolarHBondContact O-N 2.76Å; T110-N113 VanDerWaalsContact O-N 3.12Å
111	S	89.8	Confident	85	Confident	92 Å²	92	82.3 Å²	82.3	64%	0.643	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.7	174.1	58.8	0	0	0	0	114.2	P107 R108 L109	P107-S111 WeakPolarHBondContact O-CB 2.94Å; P107-S111 PolarHBondContact O-N 2.79Å; P107-S111 VanDerWaalsContact O-N 3.1Å; P107-S111 PolarHBondContact O-OG 2.96Å; R108-S111 PolarHBondContact O-OG 3.08Å; L109-S111 VanDerWaalsContact C-N 3.35Å; L109-S111 PolarHBondContact O-N 3.17Å
112	R	85.5	Confident	84.9	Confident	148 Å²	148	82.2 Å²	82.2	56%	0.558	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	7	177.3	-65	178.5	-175.2	-164.5	-0.4	113.3	R108 L109 T110 Y114	R108-R112 WeakPolarHBondContact O-CG 3.29Å; L109-R112 CarbonylContact O-C 3.41Å; L109-R112 WeakPolarHBondContact O-CA 2.99Å; L109-R112 PolarHBondContact O-N 3.04Å; T110-R112 PolarHBondContact O-N 3.27Å; T110-R112 VanDerWaalsContact O-N 3.13Å; R112-Y114 HydrophobicContact CB-CD2 3.59Å; R112-Y114 HydrophobicContact CB-CE2 3.83Å; R112-Y114 PolarHBondContact O-N 3.48Å
113	N	81.9	Confident	84.9	Confident	155 Å²	155	79 Å²	79	83%	0.829	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	27.5	-174.9	-57.9	-38.8	0	0	0	114.8	L109 T110	L109-N113 PolarHBondContact O-N 3.45Å; L109-N113 VanDerWaalsContact O-N 3.16Å; T110-N113 PolarHBondContact O-N 2.76Å; T110-N113 VanDerWaalsContact O-N 3.12Å
114	Y	77.8	Confident	84.8	Confident	125 Å²	125	73.4 Å²	73.4	49%	0.49	36%	0.364	S	S	.	.			trans	-80.4	136.3	170.9	-75.3	-65.2	0	0	0	111	P15 L109 R112	P15-Y114 HydrophobicContact CB-CD2 4.34Å; P15-Y114 HydrophobicContact CB-CE2 4.13Å; L109-Y114 HydrophobicContact CD2-CD2 3.94Å; L109-Y114 HydrophobicContact CD2-CG 4.1Å; L109-Y114 PolarHBondContact O-N 3.14Å; R112-Y114 HydrophobicContact CB-CD2 3.59Å; R112-Y114 HydrophobicContact CB-CE2 3.83Å; R112-Y114 PolarHBondContact O-N 3.48Å
115	S	69.6	Low	84.8	Confident	104 Å²	104	77.6 Å²	77.6	73%	0.727	38%	0.375	S	S	*	.			trans	-99.2	-17.8	-173.7	59.9	0	0	0	0	114.9
116	R	67.1	Low	84.8	Confident	164 Å²	164	85.4 Å²	85.4	62%	0.619	41%	0.411	S	S	*	.			trans	-139.2	146.5	-172.5	-73.4	-169.3	-104.8	-165.5	-5.6	113.6	N54	N54-R116 PolarHBondContact OD1-NH2 2.96Å
117	E	67.4	Low	84.9	Confident	84 Å²	84	80 Å²	80	39%	0.393	40%	0.395	S	S	.	.			trans	-93.3	132	165.1	-68.4	176.1	-177.5	0	0	108.8	N102 L109	N102-E117 PolarHBondContact ND2-OE2 3.44Å; L109-E117 HydrophobicContact CD1-CG 3.63Å
118	K	72.2	Confident	85	Confident	77 Å²	77	77.1 Å²	77.1	34%	0.335	38%	0.375	S	S	.	.			trans	-108.5	139.2	170.6	-176.8	172.4	173.3	-174.4	0	108.2	T14 S83 E85 V120 E123	T14-K118 PolarHBondContact OG1-O 2.98Å; S83-K118 PolarHBondContact OG-NZ 2.71Å; E85-K118 IonicContact OE1-NZ 2.75Å; E85-K118 PolarHBondContact OE1-NZ 3.32Å; E85-K118 VanDerWaalsContact OE1-NZ 3.14Å; K118-V120 HydrophobicContact CG-CG2 4.39Å; K118-V120 PolarHBondContact O-N 2.75Å; K118-E123 WeakPolarHBondContact CE-OE1 3.28Å; K118-E123 WeakPolarHBondContact CE-OE2 3.37Å; K118-E123 WeakPolarHBondContact CG-OE1 2.97Å; K118-E123 IonicContact NZ-OE1 3.53Å; K118-E123 IonicContact NZ-OE2 3.74Å; K118-E123 PolarHBondContact NZ-OE2 2.7Å
119	V	79.5	Confident	85.1	Confident	78 Å²	78	77.5 Å²	77.5	47%	0.473	38%	0.382	S	S	.	.			trans	-91.4	81.6	-177	-173.4	0	0	0	0	110	L121 D122	V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 2.85Å; V119-D122 HydrophobicContact CG1-CB 4.35Å; V119-D122 WeakPolarHBondContact CG1-OD2 3.48Å
120	V	87.2	Confident	85.2	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.012	41%	0.407	C	S	.	.	H	α-helix	trans	-72.2	-18.8	-171.6	-174.6	0	0	0	0	113.8	T12 H82 K118 A124	T12-V120 HydrophobicContact CG2-CG1 3.97Å; T12-V120 VanDerWaalsContact OG1-CG1 3.31Å; T12-V120 WeakPolarHBondContact OG1-CG1 3.37Å; H82-V120 WeakPolarHBondContact O-CG2 3.32Å; K118-V120 HydrophobicContact CG-CG2 4.39Å; K118-V120 PolarHBondContact O-N 2.75Å; V120-A124 PolarHBondContact O-N 3.24Å; V120-A124 VanDerWaalsContact O-N 3.13Å
121	L	89	Confident	85.5	Confident	5 Å²	5	83.8 Å²	83.8	3%	0.026	42%	0.423	C	S	.	.	H	α-helix	trans	-68.6	-40.1	178.7	179.4	63.5	0	0	0	112.7	V97 V119 E123 A124 R125 V133 E135	V97-L121 HydrophobicContact CB-CD1 4.02Å; V97-L121 HydrophobicContact CG1-CB 4.1Å; V97-L121 HydrophobicContact CG1-CD1 4.08Å; V97-L121 HydrophobicContact CG2-CD1 4.06Å; V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 2.85Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-A124 PolarHBondContact O-N 3.11Å; L121-R125 HydrophobicContact CD1-CG 4.45Å; L121-R125 WeakPolarHBondContact O-CG 3.37Å; L121-R125 PolarHBondContact O-N 3.36Å; L121-V133 HydrophobicContact CD1-CG1 4.38Å; L121-E135 HydrophobicContact CD1-CB 4.38Å; L121-E135 HydrophobicContact CD2-CG 4.37Å; L121-E135 WeakPolarHBondContact CD2-OE1 3.22Å
122	D	90.1	Very high	85.7	Confident	83 Å²	83	81.3 Å²	81.3	44%	0.444	40%	0.402	S	S	.	.	H	α-helix	trans	-68	-42.3	-178.5	-65	-21.9	0	0	0	109.3	V119 A124 R125 E126	V119-D122 HydrophobicContact CG1-CB 4.35Å; V119-D122 WeakPolarHBondContact CG1-OD2 3.48Å; D122-A124 VanDerWaalsContact C-N 3.34Å; D122-A124 PolarHBondContact O-N 2.86Å; D122-R125 PolarHBondContact O-N 2.94Å; D122-R125 VanDerWaalsContact O-N 3.13Å; D122-E126 WeakPolarHBondContact O-CG 3.4Å; D122-E126 PolarHBondContact O-N 3.44Å
123	E	90.8	Very high	86.3	Confident	28 Å²	28	75.1 Å²	75.1	13%	0.131	38%	0.38	C	S	.	.	H	α-helix	trans	-55	-45.6	171.9	-71.6	156.3	-142.6	0	0	112.9	K118 L121 R125 E126 S127	K118-E123 WeakPolarHBondContact CE-OE1 3.28Å; K118-E123 WeakPolarHBondContact CE-OE2 3.37Å; K118-E123 WeakPolarHBondContact CG-OE1 2.97Å; K118-E123 IonicContact NZ-OE1 3.53Å; K118-E123 IonicContact NZ-OE2 3.74Å; K118-E123 PolarHBondContact NZ-OE2 2.7Å; L121-E123 VanDerWaalsContact C-N 3.35Å; E123-R125 VanDerWaalsContact C-N 3.35Å; E123-R125 PolarHBondContact O-N 3.28Å; E123-E126 PolarHBondContact O-N 3.21Å; E123-S127 VanDerWaalsContact O-CB 3.29Å; E123-S127 WeakPolarHBondContact O-CB 3.29Å; E123-S127 PolarHBondContact O-N 3.43Å; E123-S127 PolarHBondContact O-OG 3.23Å
124	A	92.3	Very high	87.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-38.8	178.7	0	0	0	0	0	112.1	V95 V97 V120 L121 D122 E126 S127 Y128 V133	V95-A124 HydrophobicContact CG1-CB 4.3Å; V97-A124 HydrophobicContact CG2-CB 3.54Å; V120-A124 PolarHBondContact O-N 3.24Å; V120-A124 VanDerWaalsContact O-N 3.13Å; L121-A124 PolarHBondContact O-N 3.11Å; D122-A124 VanDerWaalsContact C-N 3.34Å; D122-A124 PolarHBondContact O-N 2.86Å; A124-E126 VanDerWaalsContact C-N 3.31Å; A124-S127 PolarHBondContact O-N 3.34Å; A124-Y128 VanDerWaalsContact O-CD2 3.31Å; A124-Y128 WeakPolarHBondContact O-CD2 3.22Å; A124-Y128 PolarHBondContact O-N 2.91Å; A124-V133 HydrophobicContact CB-CG1 4.1Å
125	R	93.3	Very high	88	Confident	132 Å²	132	68.2 Å²	68.2	50%	0.498	35%	0.348	S	S	.	.	H	α-helix	trans	-72.7	-25	177.9	-73.7	178.7	171.3	157.9	3.8	113.3	L121 D122 E123 V133 E135	L121-R125 HydrophobicContact CD1-CG 4.45Å; L121-R125 WeakPolarHBondContact O-CG 3.37Å; L121-R125 PolarHBondContact O-N 3.36Å; D122-R125 PolarHBondContact O-N 2.94Å; D122-R125 VanDerWaalsContact O-N 3.13Å; E123-R125 VanDerWaalsContact C-N 3.35Å; E123-R125 PolarHBondContact O-N 3.28Å; R125-V133 HydrophobicContact CG-CG1 4.33Å; R125-E135 IonicContact NH2-OE2 3.15Å
126	E	93.2	Very high	89.4	Confident	167 Å²	167	63.5 Å²	63.5	78%	0.78	31%	0.314	S	S	*	.	H	α-helix	trans	-81.2	-30.6	174.5	-72.1	176.1	-177.9	0	0	112.1	D122 E123 A124	D122-E126 WeakPolarHBondContact O-CG 3.4Å; D122-E126 PolarHBondContact O-N 3.44Å; E123-E126 PolarHBondContact O-N 3.21Å; A124-E126 VanDerWaalsContact C-N 3.31Å
127	S	93.1	Very high	90.8	Very high	34 Å²	34	59.2 Å²	59.2	24%	0.238	30%	0.303	C	S	.	.	H	α-helix	trans	-93	-21.3	-174	-52.2	0	0	0	0	114.3	E123 A124	E123-S127 VanDerWaalsContact O-CB 3.29Å; E123-S127 WeakPolarHBondContact O-CB 3.29Å; E123-S127 PolarHBondContact O-N 3.43Å; E123-S127 PolarHBondContact O-OG 3.23Å; A124-S127 PolarHBondContact O-N 3.34Å
128	Y	94.4	Very high	92.3	Very high	8 Å²	8	55.5 Å²	55.5	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	-134.2	155.3	-174.2	-56.4	-81.2	0	0	0	111.7	L10 C84 E89 F92 V95 A124 A130 I132	L10-Y128 HydrophobicContact CD2-CE2 4.27Å; C84-Y128 HydrophobicContact CB-CE2 3.87Å; C84-Y128 PolarHBondContact O-OH 3.43Å; E89-Y128 HydrophobicContact CG-CD1 3.97Å; F92-Y128 AromaticContact CD2-CE1 3.61Å; F92-Y128 HydrophobicContact CD2-CE1 3.61Å; F92-Y128 AromaticContact CD2-CZ 3.96Å; F92-Y128 HydrophobicContact CE2-CE1 4.22Å; V95-Y128 HydrophobicContact CG1-CD2 4.38Å; V95-Y128 HydrophobicContact CG2-CD1 3.94Å; V95-Y128 HydrophobicContact CG2-CD2 3.91Å; V95-Y128 HydrophobicContact CG2-CE1 4.18Å; V95-Y128 HydrophobicContact CG2-CE2 4.18Å; V95-Y128 HydrophobicContact CG2-CG 3.82Å; A124-Y128 VanDerWaalsContact O-CD2 3.31Å; A124-Y128 WeakPolarHBondContact O-CD2 3.22Å; A124-Y128 PolarHBondContact O-N 2.91Å; Y128-A130 PolarHBondContact O-N 3.39Å; Y128-I132 HydrophobicContact CD1-CD1 4.29Å
129	N	93.2	Very high	93.5	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	28%	0.275	S	S	.	.			trans	-53.8	127.4	166.5	-175.6	-9.5	0	0	0	110.7	E89 D131 I132	E89-N129 PolarHBondContact OE1-N 3.42Å; N129-D131 PolarHBondContact ND2-OD2 3.03Å; N129-D131 PolarHBondContact O-N 2.98Å; N129-D131 PolarHBondContact OD1-N 3.44Å; N129-I132 WeakPolarHBondContact O-CG1 3.17Å; N129-I132 PolarHBondContact O-N 3.15Å
130	A	92.6	Very high	94.4	Very high	65 Å²	65	52 Å²	52	54%	0.537	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-53.7	-27.1	178	0	0	0	0	0	113.8	Y128 I132 V133	Y128-A130 PolarHBondContact O-N 3.39Å; A130-I132 VanDerWaalsContact C-N 3.26Å; A130-I132 PolarHBondContact O-N 3.42Å; A130-V133 PolarHBondContact O-N 2.94Å
131	D	94.6	Very high	94.8	Very high	130 Å²	130	56.5 Å²	56.5	70%	0.695	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27.7	179	-66.8	-27.6	0	0	0	113.3	N129	N129-D131 PolarHBondContact ND2-OD2 3.03Å; N129-D131 PolarHBondContact O-N 2.98Å; N129-D131 PolarHBondContact OD1-N 3.44Å
132	I	95.8	Very high	95.3	Very high	40 Å²	40	62.7 Å²	62.7	21%	0.205	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-98.4	-3.9	178.5	70.2	160.8	0	0	0	112.6	F92 V95 Y128 N129 A130 H134	F92-I132 WeakPolarHBondContact O-CD1 3.15Å; V95-I132 HydrophobicContact CG2-CD1 4.26Å; V95-I132 PolarHBondContact N-O 3.36Å; Y128-I132 HydrophobicContact CD1-CD1 4.29Å; N129-I132 WeakPolarHBondContact O-CG1 3.17Å; N129-I132 PolarHBondContact O-N 3.15Å; A130-I132 VanDerWaalsContact C-N 3.26Å; A130-I132 PolarHBondContact O-N 3.42Å; I132-H134 PolarHBondContact O-CD2 3.26Å
133	V	97.6	Very high	95.7	Very high	17 Å²	17	60.5 Å²	60.5	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.4	-179	-179	0	0	0	0	110.3	V95 V97 L121 A124 R125 A130	V95-V133 HydrophobicContact CB-CG2 4.31Å; V95-V133 CarbonylContact O-C 3.58Å; V95-V133 WeakPolarHBondContact O-CA 3.47Å; V97-V133 HydrophobicContact CG2-CG1 3.91Å; L121-V133 HydrophobicContact CD1-CG1 4.38Å; A124-V133 HydrophobicContact CB-CG1 4.1Å; R125-V133 HydrophobicContact CG-CG1 4.33Å; A130-V133 PolarHBondContact O-N 2.94Å
134	H	97.9	Very high	96	Very high	52 Å²	52	61.2 Å²	61.2	24%	0.241	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.5	-178.4	-55.9	-64.9	0	0	0	111.1	V95 F96 V97 I132 W154	V95-H134 PolarHBondContact O-N 3.03Å; F96-H134 CarbonylContact C-O 3.55Å; F96-H134 WeakPolarHBondContact CA-O 3.44Å; F96-H134 HydrophobicContact CD1-CB 3.59Å; F96-H134 HydrophobicContact CE1-CB 3.85Å; F96-H134 AromaticContact CE1-CD2 3.56Å; F96-H134 AromaticContact CE1-CG 3.89Å; F96-H134 AromaticContact CZ-CD2 3.96Å; V97-H134 PolarHBondContact N-O 3.49Å; I132-H134 PolarHBondContact O-CD2 3.26Å; H134-W154 AromaticContact NE2-NE1 3.55Å
135	E	97.3	Very high	96.3	Very high	83 Å²	83	65.2 Å²	65.2	39%	0.388	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.7	174.1	-176.6	172.6	-163	0	0	110.8	R99 L121 R125	R99-E135 HydrophobicContact CG-CG 3.82Å; R99-E135 WeakPolarHBondContact CG-OE1 3.27Å; R99-E135 IonicContact CZ-OE1 3.98Å; R99-E135 IonicContact NH1-OE1 3.05Å; R99-E135 PolarHBondContact NH1-OE1 2.79Å; L121-E135 HydrophobicContact CD1-CB 4.38Å; L121-E135 HydrophobicContact CD2-CG 4.37Å; L121-E135 WeakPolarHBondContact CD2-OE1 3.22Å; R125-E135 IonicContact NH2-OE2 3.15Å
136	L	98.2	Very high	96.5	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122	179.6	-59.4	-178.9	0	0	0	111	F96 V97 L98 R99 N147 I151	F96-L136 HydrophobicContact CB-CD1 4.15Å; F96-L136 HydrophobicContact CD1-CD1 3.74Å; F96-L136 HydrophobicContact CD1-CG 4.3Å; F96-L136 HydrophobicContact CG-CD1 4.28Å; V97-L136 PolarHBondContact O-N 2.87Å; L98-L136 CarbonylContact C-O 3.6Å; L98-L136 WeakPolarHBondContact CA-O 3.31Å; L98-L136 HydrophobicContact CD2-CB 3.8Å; L98-L136 HydrophobicContact CD2-CD1 4.1Å; R99-L136 PolarHBondContact N-O 2.81Å; L136-N147 HydrophobicContact CD1-CB 4.22Å; L136-I151 HydrophobicContact CD1-CD1 3.9Å; L136-I151 HydrophobicContact CD1-CG1 4Å
137	I	97.9	Very high	96.8	Very high	75 Å²	75	57.4 Å²	57.4	39%	0.385	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.7	174.3	-57.3	-63.6	0	0	0	109.5	R99 N139 N147	R99-I137 HydrophobicContact CB-CD1 3.99Å; R99-I137 CarbonylContact O-C 3.56Å; I137-N139 WeakPolarHBondContact CG2-ND2 3.39Å; I137-N147 PolarHBondContact O-ND2 3.34Å
138	N	98.1	Very high	97	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.027	30%	0.296	C	S	.	.			trans	-137.6	69.8	-177.7	-159.7	48.4	0	0	0	112.2	T17 R99 T100 R108 L144 N147	T17-N138 PolarHBondContact O-ND2 3.07Å; R99-N138 PolarHBondContact O-N 3.47Å; T100-N138 PolarHBondContact OG1-O 2.96Å; R108-N138 PolarHBondContact NH1-O 2.98Å; N138-L144 WeakPolarHBondContact OD1-CA 3.45Å; N138-L144 PolarHBondContact OD1-N 3.41Å; N138-L144 VanDerWaalsContact OD1-N 3.14Å; N138-N147 PolarHBondContact OD1-ND2 3.31Å
139	N	97.4	Very high	97.2	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.123	31%	0.314	C	S	.	.	S	Bend	trans	-93.4	-41.5	-178.2	-67.2	-35	0	0	0	111.8	T100 D101 R108 I137 D143	T100-N139 VanDerWaalsContact CA-OD1 3.27Å; T100-N139 WeakPolarHBondContact CA-OD1 3.19Å; T100-N139 WeakPolarHBondContact CG2-OD1 3.35Å; D101-N139 VanDerWaalsContact CG-ND2 3.29Å; D101-N139 PolarHBondContact N-OD1 2.74Å; D101-N139 PolarHBondContact OD2-ND2 3.5Å; R108-N139 PolarHBondContact NH2-O 3.31Å; I137-N139 WeakPolarHBondContact CG2-ND2 3.39Å; N139-D143 WeakPolarHBondContact CA-OD2 3.41Å; N139-D143 WeakPolarHBondContact CB-OD2 3.18Å; N139-D143 PolarHBondContact N-OD2 3.22Å
140	T	97.4	Very high	97.5	Very high	59 Å²	59	58.6 Å²	58.6	36%	0.362	31%	0.313	S	S	.	.	S	Bend	trans	-118.1	167.4	-172	81.6	0	0	0	0	112.8	E142 D143 L144	T140-E142 WeakPolarHBondContact CB-OE2 3.17Å; T140-E142 PolarHBondContact O-N 2.79Å; T140-E142 PolarHBondContact OG1-N 3.4Å; T140-E142 PolarHBondContact OG1-OE2 2.86Å; T140-D143 PolarHBondContact N-OD2 2.7Å; T140-D143 WeakPolarHBondContact O-CB 3.36Å; T140-D143 PolarHBondContact O-N 3.16Å; T140-D143 PolarHBondContact OG1-N 3.41Å; T140-L144 PolarHBondContact O-N 3.27Å; T140-L144 VanDerWaalsContact O-N 3.11Å
141	P	96.9	Very high	97.8	Very high	97 Å²	97	55.5 Å²	55.5	63%	0.63	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-30.8	170.3	-25.2	36.5	0	0	0	113.8	L144 E145	P141-L144 WeakPolarHBondContact O-CB 3.4Å; P141-L144 PolarHBondContact O-N 3.14Å; P141-E145 PolarHBondContact O-N 3.16Å
142	E	98.2	Very high	97.9	Very high	135 Å²	135	50 Å²	50	63%	0.631	26%	0.259	S	S	*	.	H	α-helix	trans	-67.7	-41	174.9	-61.2	73.4	-160.1	0	0	111.4	T140 L144 E145 K146	T140-E142 WeakPolarHBondContact CB-OE2 3.17Å; T140-E142 PolarHBondContact O-N 2.79Å; T140-E142 PolarHBondContact OG1-N 3.4Å; T140-E142 PolarHBondContact OG1-OE2 2.86Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.3Å; E142-E145 PolarHBondContact O-N 3.43Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 PolarHBondContact O-N 3.1Å
143	D	98.5	Very high	98	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.193	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-40.1	172.8	-64	-35.6	0	0	0	111.1	N139 T140 K146 N147	N139-D143 WeakPolarHBondContact CA-OD2 3.41Å; N139-D143 WeakPolarHBondContact CB-OD2 3.18Å; N139-D143 PolarHBondContact N-OD2 3.22Å; T140-D143 PolarHBondContact N-OD2 2.7Å; T140-D143 WeakPolarHBondContact O-CB 3.36Å; T140-D143 PolarHBondContact O-N 3.16Å; T140-D143 PolarHBondContact OG1-N 3.41Å; D143-K146 PolarHBondContact O-N 2.96Å; D143-N147 VanDerWaalsContact O-CB 3.3Å; D143-N147 WeakPolarHBondContact O-CB 3.27Å; D143-N147 PolarHBondContact O-N 3.26Å; D143-N147 PolarHBondContact O-ND2 2.8Å
144	L	98	Very high	98	Very high	44 Å²	44	53.7 Å²	53.7	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-53.8	178.5	-173.8	81.7	0	0	0	111.2	T21 I22 N138 T140 P141 E142 K146 N147 I148	T21-L144 HydrophobicContact CG2-CD1 4.04Å; T21-L144 HydrophobicContact CG2-CD2 3.95Å; I22-L144 HydrophobicContact CD1-CD1 4Å; I22-L144 HydrophobicContact CG1-CD1 3.46Å; I22-L144 VanDerWaalsContact CG1-CD1 3.46Å; I22-L144 HydrophobicContact CG1-CG 4.41Å; N138-L144 WeakPolarHBondContact OD1-CA 3.45Å; N138-L144 PolarHBondContact OD1-N 3.41Å; N138-L144 VanDerWaalsContact OD1-N 3.14Å; T140-L144 PolarHBondContact O-N 3.27Å; T140-L144 VanDerWaalsContact O-N 3.11Å; P141-L144 WeakPolarHBondContact O-CB 3.4Å; P141-L144 PolarHBondContact O-N 3.14Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.3Å; L144-K146 VanDerWaalsContact C-N 3.34Å; L144-K146 PolarHBondContact O-N 2.88Å; L144-N147 PolarHBondContact O-N 2.86Å; L144-I148 HydrophobicContact CG-CD1 4.03Å; L144-I148 WeakPolarHBondContact O-CD1 3.35Å; L144-I148 VanDerWaalsContact O-CG1 3.28Å; L144-I148 WeakPolarHBondContact O-CG1 3.23Å; L144-I148 PolarHBondContact O-N 3.25Å
145	E	98.1	Very high	97.9	Very high	84 Å²	84	51.8 Å²	51.8	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-37.1	-178.9	-176	56.6	-144.7	0	0	112.1	R29 P141 E142 S149	R29-E145 IonicContact CZ-OE1 3.44Å; R29-E145 IonicContact CZ-OE2 2.96Å; R29-E145 IonicContact NH1-OE1 2.91Å; R29-E145 PolarHBondContact NH1-OE1 3.15Å; R29-E145 IonicContact NH1-OE2 3.84Å; R29-E145 IonicContact NH2-OE1 3.28Å; R29-E145 PolarHBondContact NH2-OE1 3.05Å; R29-E145 IonicContact NH2-OE2 3.61Å; R29-E145 PolarHBondContact NH2-OE2 2.76Å; P141-E145 PolarHBondContact O-N 3.16Å; E142-E145 PolarHBondContact O-N 3.43Å; E145-S149 WeakPolarHBondContact O-CB 3.28Å; E145-S149 PolarHBondContact O-N 3.47Å; E145-S149 PolarHBondContact O-OG 3.36Å
146	K	98.5	Very high	97.7	Very high	130 Å²	130	54 Å²	54	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-60.9	-48.6	173.5	179.5	-170.5	171.2	-167.3	0	111.4	E142 D143 L144 S149 Q150	E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 PolarHBondContact O-N 3.1Å; D143-K146 PolarHBondContact O-N 2.96Å; L144-K146 VanDerWaalsContact C-N 3.34Å; L144-K146 PolarHBondContact O-N 2.88Å; K146-S149 WeakPolarHBondContact O-CB 3.44Å; K146-S149 PolarHBondContact O-N 3.48Å; K146-Q150 WeakPolarHBondContact O-CB 3.3Å; K146-Q150 PolarHBondContact O-N 2.82Å
147	N	98.7	Very high	97.5	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-42.3	-178.3	-70.7	-29	0	0	0	111.5	I22 L136 I137 N138 D143 L144 S149 Q150 I151	I22-N147 HydrophobicContact CD1-CB 3.73Å; L136-N147 HydrophobicContact CD1-CB 4.22Å; I137-N147 PolarHBondContact O-ND2 3.34Å; N138-N147 PolarHBondContact OD1-ND2 3.31Å; D143-N147 VanDerWaalsContact O-CB 3.3Å; D143-N147 WeakPolarHBondContact O-CB 3.27Å; D143-N147 PolarHBondContact O-N 3.26Å; D143-N147 PolarHBondContact O-ND2 2.8Å; L144-N147 PolarHBondContact O-N 2.86Å; N147-S149 VanDerWaalsContact C-N 3.32Å; N147-S149 PolarHBondContact O-N 3.09Å; N147-Q150 PolarHBondContact O-N 2.86Å; N147-I151 VanDerWaalsContact O-CG1 3.3Å; N147-I151 WeakPolarHBondContact O-CG1 3.42Å; N147-I151 PolarHBondContact O-N 3.08Å
148	I	98.6	Very high	97.3	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-48.2	173.4	-68.6	157.1	0	0	0	110.3	I22 E25 V26 L144 Q150 I151 C152	I22-I148 HydrophobicContact CB-CG1 4.4Å; I22-I148 HydrophobicContact CG1-CG1 4.18Å; I22-I148 HydrophobicContact CG2-CG1 4.15Å; E25-I148 HydrophobicContact CB-CD1 3.88Å; E25-I148 HydrophobicContact CB-CG1 4.25Å; E25-I148 HydrophobicContact CB-CG2 4.48Å; E25-I148 HydrophobicContact CG-CD1 3.7Å; E25-I148 HydrophobicContact CG-CG1 4.3Å; E25-I148 HydrophobicContact CG-CG2 3.97Å; V26-I148 HydrophobicContact CG2-CG2 4.21Å; L144-I148 HydrophobicContact CG-CD1 4.03Å; L144-I148 WeakPolarHBondContact O-CD1 3.35Å; L144-I148 VanDerWaalsContact O-CG1 3.28Å; L144-I148 WeakPolarHBondContact O-CG1 3.23Å; L144-I148 PolarHBondContact O-N 3.25Å; I148-Q150 PolarHBondContact O-N 2.88Å; I148-I151 PolarHBondContact O-N 2.82Å; I148-C152 WeakPolarHBondContact O-CB 3.34Å; I148-C152 PolarHBondContact O-N 3.16Å; I148-C152 PolarHBondContact O-SG 2.98Å
149	S	98.2	Very high	96.7	Very high	58 Å²	58	60.6 Å²	60.6	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-42.5	179.5	-62.3	0	0	0	0	112	E145 K146 N147 C152 E153	E145-S149 WeakPolarHBondContact O-CB 3.28Å; E145-S149 PolarHBondContact O-N 3.47Å; E145-S149 PolarHBondContact O-OG 3.36Å; K146-S149 WeakPolarHBondContact O-CB 3.44Å; K146-S149 PolarHBondContact O-N 3.48Å; N147-S149 VanDerWaalsContact C-N 3.32Å; N147-S149 PolarHBondContact O-N 3.09Å; S149-C152 PolarHBondContact O-N 2.71Å; S149-E153 WeakPolarHBondContact O-CB 3.41Å; S149-E153 PolarHBondContact O-N 3.36Å
150	Q	98.4	Very high	96.2	Very high	86 Å²	86	62.9 Å²	62.9	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-45.2	178.5	-177.7	173.2	-8.8	0	0	112.2	K146 N147 I148 E153 W154	K146-Q150 WeakPolarHBondContact O-CB 3.3Å; K146-Q150 PolarHBondContact O-N 2.82Å; N147-Q150 PolarHBondContact O-N 2.86Å; I148-Q150 PolarHBondContact O-N 2.88Å; Q150-E153 PolarHBondContact O-N 2.89Å; Q150-W154 WeakPolarHBondContact O-CB 3.36Å; Q150-W154 PolarHBondContact O-N 2.76Å
151	I	98.6	Very high	95.7	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-42.6	177.9	-63.9	165.6	0	0	0	110.4	I9 I11 I22 V26 F96 L136 N147 I148 E153 W154 I155	I9-I151 HydrophobicContact CD1-CG2 3.61Å; I11-I151 HydrophobicContact CD1-CD1 4.08Å; I22-I151 HydrophobicContact CG2-CD1 3.57Å; V26-I151 HydrophobicContact CB-CG2 4.49Å; V26-I151 HydrophobicContact CG1-CG2 3.74Å; V26-I151 HydrophobicContact CG2-CB 4.02Å; V26-I151 HydrophobicContact CG2-CD1 4.34Å; V26-I151 HydrophobicContact CG2-CG2 3.93Å; F96-I151 HydrophobicContact CB-CD1 4.45Å; F96-I151 HydrophobicContact CD1-CD1 4.41Å; F96-I151 HydrophobicContact CD1-CG1 3.86Å; F96-I151 HydrophobicContact CD2-CD1 4.41Å; F96-I151 HydrophobicContact CD2-CG1 4.16Å; F96-I151 HydrophobicContact CD2-CG2 4.33Å; F96-I151 HydrophobicContact CE1-CG1 3.91Å; F96-I151 HydrophobicContact CE2-CG1 4.2Å; F96-I151 HydrophobicContact CE2-CG2 3.95Å; F96-I151 HydrophobicContact CG-CD1 4.16Å; F96-I151 HydrophobicContact CG-CG1 4Å; F96-I151 HydrophobicContact CZ-CB 4.49Å; F96-I151 HydrophobicContact CZ-CG1 4.08Å; F96-I151 HydrophobicContact CZ-CG2 4.25Å; L136-I151 HydrophobicContact CD1-CD1 3.9Å; L136-I151 HydrophobicContact CD1-CG1 4Å; N147-I151 VanDerWaalsContact O-CG1 3.3Å; N147-I151 WeakPolarHBondContact O-CG1 3.42Å; N147-I151 PolarHBondContact O-N 3.08Å; I148-I151 PolarHBondContact O-N 2.82Å; I151-E153 VanDerWaalsContact C-N 3.29Å; I151-E153 PolarHBondContact O-N 3.16Å; I151-W154 WeakPolarHBondContact O-CB 3.43Å; I151-W154 PolarHBondContact O-N 2.72Å; I151-I155 HydrophobicContact CG2-CD1 3.98Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.96Å
152	C	98	Very high	95	Very high	13 Å²	13	65.7 Å²	65.7	9%	0.088	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-37.7	176.6	-68.2	0	0	0	0	112.3	I148 S149 K156	I148-C152 WeakPolarHBondContact O-CB 3.34Å; I148-C152 PolarHBondContact O-N 3.16Å; I148-C152 PolarHBondContact O-SG 2.98Å; S149-C152 PolarHBondContact O-N 2.71Å; C152-K156 WeakPolarHBondContact O-CG 3.16Å; C152-K156 PolarHBondContact O-N 3.26Å
153	E	97.3	Very high	93.3	Very high	88 Å²	88	65.7 Å²	65.7	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-68.9	-42.1	176.1	-173.8	58	-156.5	0	0	111.5	S149 Q150 I151 I155 K156 Q157	S149-E153 WeakPolarHBondContact O-CB 3.41Å; S149-E153 PolarHBondContact O-N 3.36Å; Q150-E153 PolarHBondContact O-N 2.89Å; I151-E153 VanDerWaalsContact C-N 3.29Å; I151-E153 PolarHBondContact O-N 3.16Å; E153-I155 VanDerWaalsContact C-N 3.33Å; E153-I155 PolarHBondContact O-N 3.32Å; E153-K156 PolarHBondContact O-N 3.39Å; E153-K156 VanDerWaalsContact O-N 3.17Å; E153-Q157 WeakPolarHBondContact O-CG 3.3Å; E153-Q157 PolarHBondContact O-N 3.26Å; E153-Q157 PolarHBondContact OE1-NE2 2.96Å; E153-Q157 VanDerWaalsContact OE1-NE2 3.13Å
154	W	97.7	Very high	93	Very high	48 Å²	48	67.2 Å²	67.2	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-57	-46	174	-176.4	97	0	0	0	111.7	P7 I9 D93 A94 F96 H134 Q150 I151 K156 Q157 W158	P7-W154 HydrophobicContact CB-CH2 4.12Å; P7-W154 HydrophobicContact CB-CZ3 3.87Å; P7-W154 HydrophobicContact CG-CZ3 3.99Å; I9-W154 HydrophobicContact CG2-CE3 4.14Å; I9-W154 HydrophobicContact CG2-CH2 4.14Å; I9-W154 HydrophobicContact CG2-CZ3 3.5Å; I9-W154 VanDerWaalsContact CG2-CZ3 3.5Å; D93-W154 HydrophobicContact CB-CH2 3.75Å; D93-W154 HydrophobicContact CB-CZ2 4.49Å; A94-W154 HydrophobicContact CB-CD2 4.18Å; A94-W154 HydrophobicContact CB-CE3 4.28Å; A94-W154 HydrophobicContact CB-CH2 3.48Å; A94-W154 VanDerWaalsContact CB-CH2 3.48Å; A94-W154 HydrophobicContact CB-CZ2 3.3Å; A94-W154 HydrophobicContact CB-CZ3 3.97Å; F96-W154 HydrophobicContact CE2-CE3 4.45Å; F96-W154 HydrophobicContact CZ-CB 4.18Å; F96-W154 AromaticContact CZ-CD2 3.94Å; F96-W154 HydrophobicContact CZ-CD2 3.94Å; F96-W154 HydrophobicContact CZ-CE3 4.23Å; F96-W154 AromaticContact CZ-CG 3.87Å; F96-W154 HydrophobicContact CZ-CG 3.87Å; H134-W154 AromaticContact NE2-NE1 3.55Å; Q150-W154 WeakPolarHBondContact O-CB 3.36Å; Q150-W154 PolarHBondContact O-N 2.76Å; I151-W154 WeakPolarHBondContact O-CB 3.43Å; I151-W154 PolarHBondContact O-N 2.72Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 2.93Å; W154-Q157 PolarHBondContact O-N 3.41Å; W154-W158 HydrophobicContact CE3-CB 4.46Å; W154-W158 HydrophobicContact CH2-CB 4.1Å; W154-W158 AromaticContact CH2-CD1 3.51Å; W154-W158 AromaticContact CH2-CG 3.93Å; W154-W158 HydrophobicContact CH2-CG 3.93Å; W154-W158 HydrophobicContact CZ2-CB 4.47Å; W154-W158 AromaticContact CZ2-CD1 3.86Å; W154-W158 HydrophobicContact CZ2-CG 4.47Å; W154-W158 HydrophobicContact CZ3-CB 4.11Å; W154-W158 HydrophobicContact CZ3-CG 4.27Å; W154-W158 PolarHBondContact O-N 3.09Å
155	I	96.1	Very high	92.7	Very high	12 Å²	12	68.4 Å²	68.4	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-42.6	177.4	-70	161	0	0	0	111.2	P7 I9 V26 L32 I151 E153 H159	P7-I155 HydrophobicContact CG-CG2 4.34Å; I9-I155 HydrophobicContact CD1-CD1 4.16Å; V26-I155 HydrophobicContact CG1-CD1 3.55Å; L32-I155 HydrophobicContact CD1-CD1 4.02Å; L32-I155 HydrophobicContact CD1-CG1 4.33Å; L32-I155 HydrophobicContact CD1-CG2 3.57Å; L32-I155 HydrophobicContact CD2-CD1 4.25Å; L32-I155 HydrophobicContact CD2-CG1 4.48Å; I151-I155 HydrophobicContact CG2-CD1 3.98Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.96Å; E153-I155 VanDerWaalsContact C-N 3.33Å; E153-I155 PolarHBondContact O-N 3.32Å; I155-H159 PolarHBondContact O-N 3.33Å; I155-H159 VanDerWaalsContact O-N 3.13Å
156	K	94	Very high	92.5	Very high	130 Å²	130	67.5 Å²	67.5	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-66.5	-40.8	178.5	-70.3	170.9	-171.4	170	0	112.1	C152 E153 W154 H159 A160	C152-K156 WeakPolarHBondContact O-CG 3.16Å; C152-K156 PolarHBondContact O-N 3.26Å; E153-K156 PolarHBondContact O-N 3.39Å; E153-K156 VanDerWaalsContact O-N 3.17Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 2.93Å; K156-H159 PolarHBondContact O-N 2.98Å; K156-A160 PolarHBondContact O-N 3.33Å
157	Q	93.8	Very high	92.1	Very high	95 Å²	95	63.8 Å²	63.8	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-46.8	178.7	-72	174.6	3.2	0	0	111	E153 W154 H159 A160 E161	E153-Q157 WeakPolarHBondContact O-CG 3.3Å; E153-Q157 PolarHBondContact O-N 3.26Å; E153-Q157 PolarHBondContact OE1-NE2 2.96Å; E153-Q157 VanDerWaalsContact OE1-NE2 3.13Å; W154-Q157 PolarHBondContact O-N 3.41Å; Q157-H159 PolarHBondContact O-N 3Å; Q157-A160 PolarHBondContact O-N 2.88Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.12Å
158	W	92.9	Very high	91.7	Very high	38 Å²	38	67.6 Å²	67.6	14%	0.144	36%	0.362	C	S	.	.	H	α-helix	trans	-54.9	-42.9	174.7	-174.7	99.7	0	0	0	111.7	P7 D93 W154 E161 S162	P7-W158 HydrophobicContact CB-CD2 3.6Å; P7-W158 HydrophobicContact CB-CE3 3.82Å; P7-W158 HydrophobicContact CB-CG 4.02Å; P7-W158 HydrophobicContact CB-CH2 4.27Å; P7-W158 HydrophobicContact CB-CZ2 4.05Å; P7-W158 HydrophobicContact CB-CZ3 4.17Å; P7-W158 VanDerWaalsContact CD-CE3 3.43Å; P7-W158 HydrophobicContact CG-CD2 3.9Å; P7-W158 HydrophobicContact CG-CE3 3.74Å; P7-W158 HydrophobicContact CG-CG 4.25Å; P7-W158 HydrophobicContact CG-CZ3 4.25Å; D93-W158 PolarHBondContact OD1-NE1 3.14Å; W154-W158 HydrophobicContact CE3-CB 4.46Å; W154-W158 HydrophobicContact CH2-CB 4.1Å; W154-W158 AromaticContact CH2-CD1 3.51Å; W154-W158 AromaticContact CH2-CG 3.93Å; W154-W158 HydrophobicContact CH2-CG 3.93Å; W154-W158 HydrophobicContact CZ2-CB 4.47Å; W154-W158 AromaticContact CZ2-CD1 3.86Å; W154-W158 HydrophobicContact CZ2-CG 4.47Å; W154-W158 HydrophobicContact CZ3-CB 4.11Å; W154-W158 HydrophobicContact CZ3-CG 4.27Å; W154-W158 PolarHBondContact O-N 3.09Å; W158-E161 PolarHBondContact O-N 2.79Å; W158-S162 VanDerWaalsContact O-CB 3.26Å; W158-S162 WeakPolarHBondContact O-CB 3.36Å; W158-S162 PolarHBondContact O-N 3.16Å; W158-S162 PolarHBondContact O-OG 3.13Å
159	H	86.4	Confident	91.2	Very high	90 Å²	90	71.9 Å²	71.9	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-39.4	177.7	-174	68.1	0	0	0	112.6	T5 I155 K156 Q157 E161 S162 S163	T5-H159 PolarHBondContact O-ND1 3.03Å; I155-H159 PolarHBondContact O-N 3.33Å; I155-H159 VanDerWaalsContact O-N 3.13Å; K156-H159 PolarHBondContact O-N 2.98Å; Q157-H159 PolarHBondContact O-N 3Å; H159-E161 VanDerWaalsContact C-N 3.33Å; H159-S162 PolarHBondContact O-N 3.1Å; H159-S163 WeakPolarHBondContact O-CB 3.38Å; H159-S163 PolarHBondContact O-N 2.94Å; H159-S163 PolarHBondContact O-OG 3.02Å
160	A	87.2	Confident	90.7	Very high	70 Å²	70	72.9 Å²	72.9	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-69.4	-29.6	178	0	0	0	0	0	113.2	K156 Q157	K156-A160 PolarHBondContact O-N 3.33Å; Q157-A160 PolarHBondContact O-N 2.88Å
161	E	86.1	Confident	90.1	Very high	162 Å²	162	71.8 Å²	71.8	76%	0.757	38%	0.382	S	S	*	.	H	α-helix	trans	-85.5	-23.3	178.3	-68.4	175.6	-179.6	0	0	112.9	Q157 W158 H159	Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.12Å; W158-E161 PolarHBondContact O-N 2.79Å; H159-E161 VanDerWaalsContact C-N 3.33Å
162	S	81.2	Confident	89.4	Confident	54 Å²	54	77.8 Å²	77.8	38%	0.378	41%	0.414	S	S	.	.	H	α-helix	trans	-94.2	-6.9	-179.9	-55.9	0	0	0	0	114.3	W158 H159	W158-S162 VanDerWaalsContact O-CB 3.26Å; W158-S162 WeakPolarHBondContact O-CB 3.36Å; W158-S162 PolarHBondContact O-N 3.16Å; W158-S162 PolarHBondContact O-OG 3.13Å; H159-S162 PolarHBondContact O-N 3.1Å
163	S	62.6	Low	88.7	Confident	134 Å²	134	83.7 Å²	83.7	94%	0.937	44%	0.443	S	S	*	.			trans	-97.8	0	178.8	-60.8	0	0	0	0	112.4	H159	H159-S163 WeakPolarHBondContact O-CB 3.38Å; H159-S163 PolarHBondContact O-N 2.94Å; H159-S163 PolarHBondContact O-OG 3.02Å

Retrieved 163 of 163 residues in 68.3 ms (Link to these results)

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