A0A087WSZ6_HUMAN Loading...

Dehydrogenase/reductase 4 like 2

AlphaFold DB , UniProt , Accession A0A087WSZ6, Species HUMAN (Homo sapiens, Human), Gene DHRS4L2, Length 131 aa.

						>A0A087WSZ6_HUMAN|A0A087WSZ6|DHRS4L2
MAVKLHGGIDILVSNAAVNPFFGSLMDVTEEVWDKTLDINVKAPALMTKAVVPEMEKRGGGSVVIVSSIAAFSPSPGFSPYNVSKTALLGLNNTLAIELAPRNIRVNCLHLDLSRLASAGCSGWTRKKRKA
					

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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	68.9	Low	88.1	Confident	192 Å²	192	94.6 Å²	94.6	95%	0.946	52%	0.519	S	S	*	.				0	-54	0	-164.4	171.7	175.9	0	0	111.8	V3 K4 L5	M1-V3 PolarHBondContact O-N 3.09Å; M1-K4 PolarHBondContact O-N 3.4Å; M1-L5 HydrophobicContact CE-CD1 4.16Å; M1-L5 HydrophobicContact CG-CD1 3.83Å; M1-L5 HydrophobicContact CG-CG 4.49Å; M1-L5 WeakPolarHBondContact O-CG 3.38Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.09Å
2	A	81.4	Confident	88.8	Confident	53 Å²	53	88.3 Å²	88.3	44%	0.438	48%	0.484	S	S	.	.	H	α-helix	trans	-56.4	-50.9	179.7	0	0	0	0	0	114.5	K4 L5 H6	A2-K4 VanDerWaalsContact C-N 3.29Å; A2-K4 PolarHBondContact O-N 3.09Å; A2-L5 PolarHBondContact O-N 2.97Å; A2-L5 VanDerWaalsContact O-N 3.09Å; A2-H6 PolarHBondContact O-CD2 2.83Å; A2-H6 PolarHBondContact O-N 3.48Å
3	V	86.6	Confident	89.5	Confident	53 Å²	53	88.2 Å²	88.2	32%	0.321	49%	0.487	S	S	.	.	H	α-helix	trans	-57.5	-41.9	177.3	179.2	0	0	0	0	111.8	M1 L5 G7 I9 E54	M1-V3 PolarHBondContact O-N 3.09Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 3.23Å; V3-G7 VanDerWaalsContact O-CA 3.3Å; V3-G7 WeakPolarHBondContact O-CA 3.3Å; V3-G7 PolarHBondContact O-N 3.45Å; V3-I9 HydrophobicContact CG2-CD1 3.89Å; V3-I9 HydrophobicContact CG2-CG1 4.01Å; V3-E54 HydrophobicContact CG2-CG 3.84Å
4	K	86.7	Confident	89.8	Confident	195 Å²	195	82.9 Å²	82.9	85%	0.848	46%	0.459	S	S	*	.	H	α-helix	trans	-65.3	-33.4	178.7	-172.2	178.3	178.9	-178.8	0	112.6	M1 A2	M1-K4 PolarHBondContact O-N 3.4Å; A2-K4 VanDerWaalsContact C-N 3.29Å; A2-K4 PolarHBondContact O-N 3.09Å
5	L	89.9	Confident	90	Very high	112 Å²	112	84 Å²	84	59%	0.586	46%	0.464	S	S	*	.	H	α-helix	trans	-85	-29.9	-177.9	-68.9	171.4	0	0	0	113.2	M1 A2 V3	M1-L5 HydrophobicContact CE-CD1 4.16Å; M1-L5 HydrophobicContact CG-CD1 3.83Å; M1-L5 HydrophobicContact CG-CG 4.49Å; M1-L5 WeakPolarHBondContact O-CG 3.38Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.09Å; A2-L5 PolarHBondContact O-N 2.97Å; A2-L5 VanDerWaalsContact O-N 3.09Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 3.23Å
6	H	89.1	Confident	90	Very high	144 Å²	144	82.9 Å²	82.9	67%	0.667	47%	0.469	S	S	*	.	H	α-helix	trans	-122.8	0.9	-170.1	-58.2	-61.9	0	0	0	114.4	A2 G8	A2-H6 PolarHBondContact O-CD2 2.83Å; A2-H6 PolarHBondContact O-N 3.48Å; H6-G8 PolarHBondContact O-N 2.94Å
7	G	88.5	Confident	89.9	Confident	68 Å²	68	80.5 Å²	80.5	70%	0.701	46%	0.462	S	S	*	.	S	Bend	trans	75.4	1.5	177.1	0	0	0	0	0	115.3	V3	V3-G7 VanDerWaalsContact O-CA 3.3Å; V3-G7 WeakPolarHBondContact O-CA 3.3Å; V3-G7 PolarHBondContact O-N 3.45Å
8	G	91.6	Very high	90.1	Very high	7 Å²	7	78.4 Å²	78.4	7%	0.072	45%	0.451	C	S	.	.	S	Bend	trans	160.8	-170.3	178	0	0	0	0	0	112.9	H6	H6-G8 PolarHBondContact O-N 2.94Å
9	I	94.8	Very high	90.2	Very high	33 Å²	33	76 Å²	76	17%	0.169	44%	0.436	C	S	.	.			trans	-135.5	123.1	179.4	-59.5	175.6	0	0	0	109.1	V3 V51 E54 M55	V3-I9 HydrophobicContact CG2-CD1 3.89Å; V3-I9 HydrophobicContact CG2-CG1 4.01Å; I9-V51 HydrophobicContact CD1-CB 4.23Å; I9-V51 HydrophobicContact CD1-CG1 3.7Å; I9-V51 HydrophobicContact CG2-CB 4.25Å; I9-V51 HydrophobicContact CG2-CG1 4.28Å; I9-E54 HydrophobicContact CB-CB 4.28Å; I9-E54 HydrophobicContact CG1-CB 4.48Å; I9-M55 HydrophobicContact CG2-CE 4.07Å; I9-M55 WeakPolarHBondContact O-CG 3.31Å
10	D	95.1	Very high	90.1	Very high	73 Å²	73	75.3 Å²	75.3	39%	0.39	43%	0.434	S	S	.	.	S	Bend	trans	-94.8	-37.9	173.7	-62.5	-67.3	0	0	0	112.5	R58 G61 S62	D10-R58 IonicContact OD1-CZ 2.97Å; D10-R58 IonicContact OD1-NE 3.98Å; D10-R58 PolarHBondContact OD1-NE 2.96Å; D10-R58 VanDerWaalsContact OD1-NE 3.08Å; D10-R58 IonicContact OD1-NH1 2.65Å; D10-R58 PolarHBondContact OD1-NH1 2.89Å; D10-R58 IonicContact OD1-NH2 2.82Å; D10-R58 PolarHBondContact OD1-NH2 3.39Å; D10-R58 IonicContact OD2-CZ 2.71Å; D10-R58 IonicContact OD2-NE 3.2Å; D10-R58 IonicContact OD2-NH1 2.77Å; D10-R58 PolarHBondContact OD2-NH1 3.06Å; D10-R58 IonicContact OD2-NH2 2.85Å; D10-R58 PolarHBondContact OD2-NH2 3.14Å; D10-G61 VanDerWaalsContact O-CA 3.31Å; D10-G61 WeakPolarHBondContact O-CA 3.35Å; D10-S62 PolarHBondContact O-N 2.84Å
11	I	96.4	Very high	90.1	Very high	111 Å²	111	73.8 Å²	73.8	57%	0.569	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	131	-167.2	-56	175.2	0	0	0	109.5	V13 S62	I11-V13 HydrophobicContact CG2-CG2 4.14Å; I11-S62 CarbonylContact C-O 3.54Å; I11-S62 VanDerWaalsContact CA-O 3.24Å; I11-S62 WeakPolarHBondContact CA-O 3.29Å
12	L	97.1	Very high	91.1	Very high	18 Å²	18	71.4 Å²	71.4	9%	0.094	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	167	171.9	63.7	0	0	0	109.2	M47 V51 M55 S62 V63 V64	L12-M47 HydrophobicContact CD1-CE 4.22Å; L12-M47 HydrophobicContact CD2-CB 4.06Å; L12-V51 HydrophobicContact CB-CG2 4.04Å; L12-V51 HydrophobicContact CD2-CG1 4.38Å; L12-V51 HydrophobicContact CD2-CG2 3.73Å; L12-V51 HydrophobicContact CG-CG2 4.46Å; L12-M55 HydrophobicContact CB-CE 3.92Å; L12-S62 PolarHBondContact N-O 3.32Å; L12-V63 HydrophobicContact CB-CG1 4.48Å; L12-V63 HydrophobicContact CB-CG2 4.36Å; L12-V63 HydrophobicContact CD2-CG1 4.15Å; L12-V63 HydrophobicContact CG-CG1 4.41Å; L12-V63 CarbonylContact O-C 3.57Å; L12-V63 WeakPolarHBondContact O-CA 3.43Å; L12-V64 PolarHBondContact O-N 3.02Å
13	V	96.9	Very high	91.5	Very high	88 Å²	88	70 Å²	70	53%	0.533	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	105.7	168.5	-174.7	0	0	0	0	108.4	I11 V64 V66	I11-V13 HydrophobicContact CG2-CG2 4.14Å; V13-V64 CarbonylContact C-O 3.5Å; V13-V64 WeakPolarHBondContact CA-O 3.48Å; V13-V64 HydrophobicContact CG1-CB 4.44Å; V13-V64 HydrophobicContact CG2-CB 4.33Å; V13-V66 HydrophobicContact CG1-CG2 4.21Å
14	S	94.9	Very high	91.6	Very high	13 Å²	13	70.4 Å²	70.4	9%	0.091	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	102	178.3	-168.9	0	0	0	0	110.4	P44 V64 V66	S14-P44 WeakPolarHBondContact OG-CA 3.49Å; S14-P44 WeakPolarHBondContact OG-CB 3.45Å; S14-P44 WeakPolarHBondContact OG-CG 3.24Å; S14-V64 PolarHBondContact N-O 2.85Å; S14-V66 PolarHBondContact O-N 2.82Å
15	N	92.7	Very high	91.7	Very high	100 Å²	100	64.6 Å²	64.6	54%	0.535	38%	0.381	S	S	.	.			trans	-116.5	-16.7	-175.9	179.1	73.6	0	0	0	114.5	A17 V66	N15-A17 PolarHBondContact O-N 3.26Å; N15-V66 HydrophobicContact CB-CB 4.22Å; N15-V66 HydrophobicContact CB-CG2 3.86Å; N15-V66 WeakPolarHBondContact OD1-CB 3.31Å; N15-V66 WeakPolarHBondContact OD1-CG1 3.38Å
16	A	88.7	Confident	91.9	Very high	66 Å²	66	66.8 Å²	66.8	55%	0.545	39%	0.391	S	S	.	.			trans	-58.3	125.6	-174.8	0	0	0	0	0	110.9
17	A	89.8	Confident	92.1	Very high	43 Å²	43	65.4 Å²	65.4	36%	0.355	39%	0.388	S	S	.	.			trans	-149.3	148.9	177.5	0	0	0	0	0	111.1	N15 N40 Y81	N15-A17 PolarHBondContact O-N 3.26Å; A17-N40 WeakPolarHBondContact CA-OD1 3.21Å; A17-Y81 HydrophobicContact CB-CE2 4.4Å
18	V	92.5	Very high	92.4	Very high	42 Å²	42	63 Å²	63	26%	0.255	36%	0.36	S	S	.	.			trans	-130.9	151.3	174.1	-64	0	0	0	0	110.8	K35 I39 N40	V18-K35 HydrophobicContact CG2-CG 4.46Å; V18-I39 HydrophobicContact CB-CD1 4.5Å; V18-I39 HydrophobicContact CG1-CD1 3.89Å; V18-I39 HydrophobicContact CG1-CG2 4.17Å; V18-I39 HydrophobicContact CG2-CB 3.99Å; V18-I39 HydrophobicContact CG2-CD1 3.79Å; V18-I39 HydrophobicContact CG2-CG1 4.44Å; V18-I39 HydrophobicContact CG2-CG2 4.16Å; V18-N40 PolarHBondContact N-OD1 3.49Å; V18-N40 PolarHBondContact O-ND2 2.71Å
19	N	91.9	Very high	92.6	Very high	33 Å²	33	66 Å²	66	18%	0.176	38%	0.376	C	S	.	.			trans	-138.4	85.8	166.1	-177.6	44.6	0	0	0	108.5	F21 F78 Y81	N19-F21 VanDerWaalsContact C-N 3.26Å; N19-F21 PolarHBondContact ND2-O 2.91Å; N19-F21 VanDerWaalsContact ND2-O 3.16Å; N19-F21 PolarHBondContact O-N 2.65Å; N19-F21 PolarHBondContact OD1-O 2.9Å; N19-F78 WeakPolarHBondContact ND2-CD1 3.16Å; N19-Y81 HydrophobicContact CB-CD2 3.93Å; N19-Y81 HydrophobicContact CB-CG 4.12Å; N19-Y81 WeakPolarHBondContact OD1-CB 3.29Å
20	P	88.9	Confident	92.6	Very high	61 Å²	61	71.1 Å²	71.1	40%	0.396	40%	0.4	S	S	.	.			trans	-80.7	-3.8	-173.1	31.5	-32.6	0	0	0	113.7	V32	P20-V32 HydrophobicContact CG-CG1 4.1Å
21	F	89.5	Confident	92.7	Very high	45 Å²	45	73.9 Å²	73.9	20%	0.197	41%	0.411	C	S	.	.			trans	-131.7	142	-176.3	178.9	-93	0	0	0	112	N19 G23 S24 D27 V28 V32	N19-F21 VanDerWaalsContact C-N 3.26Å; N19-F21 PolarHBondContact ND2-O 2.91Å; N19-F21 VanDerWaalsContact ND2-O 3.16Å; N19-F21 PolarHBondContact O-N 2.65Å; N19-F21 PolarHBondContact OD1-O 2.9Å; F21-G23 VanDerWaalsContact CE1-CA 3.47Å; F21-S24 WeakPolarHBondContact CE1-O 3.33Å; F21-D27 HydrophobicContact CZ-CB 4.16Å; F21-V28 HydrophobicContact CD1-CG2 3.6Å; F21-V28 HydrophobicContact CE1-CG2 3.45Å; F21-V28 VanDerWaalsContact CE1-CG2 3.45Å; F21-V28 HydrophobicContact CG-CG2 4.37Å; F21-V28 HydrophobicContact CZ-CG2 4.15Å; F21-V32 HydrophobicContact CB-CG1 3.6Å; F21-V32 HydrophobicContact CB-CG2 4.31Å; F21-V32 HydrophobicContact CG-CG1 4.4Å
22	F	90.4	Very high	92.7	Very high	142 Å²	142	69.8 Å²	69.8	62%	0.623	39%	0.391	S	S	*	.			trans	-126.6	117	172.3	-64.8	-91.2	0	0	0	109.3	G77 F78	F22-G77 VanDerWaalsContact CA-O 3.27Å; F22-G77 WeakPolarHBondContact CA-O 3.47Å; F22-F78 HydrophobicContact CD1-CD1 4.49Å; F22-F78 HydrophobicContact CD1-CE1 4.12Å; F22-F78 HydrophobicContact CD1-CZ 4.34Å; F22-F78 HydrophobicContact CE1-CD1 4.11Å; F22-F78 AromaticContact CE1-CE1 3.48Å; F22-F78 HydrophobicContact CE1-CE1 3.48Å; F22-F78 VanDerWaalsContact CE1-CE1 3.48Å; F22-F78 AromaticContact CE1-CZ 3.91Å; F22-F78 HydrophobicContact CE1-CZ 3.91Å; F22-F78 HydrophobicContact CZ-CE1 4.45Å
23	G	88.7	Confident	92.6	Very high	24 Å²	24	72 Å²	72	25%	0.247	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	157	-168.9	-178.8	0	0	0	0	0	114.6	F21 G77 S79	F21-G23 VanDerWaalsContact CE1-CA 3.47Å; G23-G77 PolarHBondContact N-O 3.2Å; G23-G77 VanDerWaalsContact N-O 3.15Å; G23-G77 WeakPolarHBondContact O-CA 3.11Å; G23-S79 PolarHBondContact O-OG 3.08Å; G23-S79 VanDerWaalsContact O-OG 3.09Å
24	S	89.3	Confident	92.6	Very high	60 Å²	60	71.9 Å²	71.9	42%	0.42	39%	0.394	S	S	.	.			trans	-61.4	143.1	176.1	-176.4	0	0	0	0	110.7	F21 M26 D27	F21-S24 WeakPolarHBondContact CE1-O 3.33Å; S24-M26 PolarHBondContact O-N 3.13Å; S24-M26 PolarHBondContact OG-N 2.93Å; S24-D27 VanDerWaalsContact CB-OD2 3.25Å; S24-D27 WeakPolarHBondContact CB-OD2 3.48Å; S24-D27 PolarHBondContact O-N 2.98Å
25	L	88.8	Confident	92.7	Very high	73 Å²	73	76.6 Å²	76.6	38%	0.382	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-59.6	-31.4	173.8	-175.1	54.6	0	0	0	112.6	D27 V28 W33 S79	L25-D27 PolarHBondContact O-N 3.24Å; L25-V28 HydrophobicContact CD1-CG2 4.19Å; L25-V28 WeakPolarHBondContact O-CG2 3.5Å; L25-V28 PolarHBondContact O-N 3.11Å; L25-W33 HydrophobicContact CD1-CH2 3.93Å; L25-W33 HydrophobicContact CD1-CZ2 3.2Å; L25-W33 HydrophobicContact CG-CZ2 4.31Å; L25-S79 PolarHBondContact N-OG 2.97Å
26	M	93.4	Very high	92.9	Very high	159 Å²	159	71.9 Å²	71.9	78%	0.783	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-71.3	-17.3	-177.1	-58.1	-52.5	-62.3	0	0	113.3	S24	S24-M26 PolarHBondContact O-N 3.13Å; S24-M26 PolarHBondContact OG-N 2.93Å
27	D	93.9	Very high	93.3	Very high	114 Å²	114	71.8 Å²	71.8	61%	0.61	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-102.1	2.4	-177.4	-54.7	-36.3	0	0	0	112	F21 S24 L25	F21-D27 HydrophobicContact CZ-CB 4.16Å; S24-D27 VanDerWaalsContact CB-OD2 3.25Å; S24-D27 WeakPolarHBondContact CB-OD2 3.48Å; S24-D27 PolarHBondContact O-N 2.98Å; L25-D27 PolarHBondContact O-N 3.24Å
28	V	94.3	Very high	93.6	Very high	18 Å²	18	73.2 Å²	73.2	11%	0.109	38%	0.379	C	S	.	.			trans	-75.9	129.5	-178.5	-178.4	0	0	0	0	109.9	F21 L25 V32 W33 P80	F21-V28 HydrophobicContact CD1-CG2 3.6Å; F21-V28 HydrophobicContact CE1-CG2 3.45Å; F21-V28 VanDerWaalsContact CE1-CG2 3.45Å; F21-V28 HydrophobicContact CG-CG2 4.37Å; F21-V28 HydrophobicContact CZ-CG2 4.15Å; L25-V28 HydrophobicContact CD1-CG2 4.19Å; L25-V28 WeakPolarHBondContact O-CG2 3.5Å; L25-V28 PolarHBondContact O-N 3.11Å; V28-V32 HydrophobicContact CG1-CB 3.83Å; V28-V32 HydrophobicContact CG1-CG1 3.52Å; V28-W33 VanDerWaalsContact CG1-CD1 3.42Å; V28-W33 HydrophobicContact CG1-CG 4.12Å; V28-P80 HydrophobicContact CB-CG 4.3Å; V28-P80 HydrophobicContact CG1-CG 3.57Å; V28-P80 HydrophobicContact CG2-CG 3.78Å
29	T	96	Very high	93.8	Very high	69 Å²	69	73.7 Å²	73.7	42%	0.423	38%	0.38	S	S	.	.			trans	-77	157.2	173.6	81.2	0	0	0	0	112.1	E31 V32 W33	T29-E31 VanDerWaalsContact C-N 3.28Å; T29-E31 WeakPolarHBondContact CB-OE2 3.21Å; T29-E31 PolarHBondContact O-N 3.42Å; T29-E31 PolarHBondContact OG1-OE2 2.88Å; T29-V32 PolarHBondContact O-N 2.97Å; T29-W33 PolarHBondContact O-N 2.99Å
30	E	96.3	Very high	94.1	Very high	142 Å²	142	72.2 Å²	72.2	66%	0.664	37%	0.372	S	S	*	.	H	α-helix	trans	-60.4	-37.1	178.7	-169.7	170.8	-179.2	0	0	112.1	V32 W33 D34	E30-V32 VanDerWaalsContact C-N 3.28Å; E30-V32 PolarHBondContact O-N 3.22Å; E30-W33 WeakPolarHBondContact O-CA 3.4Å; E30-W33 VanDerWaalsContact O-CB 3.29Å; E30-W33 WeakPolarHBondContact O-CB 3.35Å; E30-W33 PolarHBondContact O-N 3.47Å; E30-D34 PolarHBondContact O-N 2.96Å
31	E	96.7	Very high	94.5	Very high	131 Å²	131	70.7 Å²	70.7	61%	0.612	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-33.2	-179.9	-53.7	78.5	-174.6	0	0	112.4	T29 K35	T29-E31 VanDerWaalsContact C-N 3.28Å; T29-E31 WeakPolarHBondContact CB-OE2 3.21Å; T29-E31 PolarHBondContact O-N 3.42Å; T29-E31 PolarHBondContact OG1-OE2 2.88Å; E31-K35 VanDerWaalsContact O-CB 3.27Å; E31-K35 WeakPolarHBondContact O-CB 3.32Å; E31-K35 PolarHBondContact O-N 3.28Å
32	V	95.8	Very high	94.8	Very high	25 Å²	25	73.9 Å²	73.9	15%	0.152	38%	0.375	C	S	.	.	H	α-helix	trans	-67.9	-41.7	173.7	163.1	0	0	0	0	110.5	P20 F21 V28 T29 E30 T36 P80	P20-V32 HydrophobicContact CG-CG1 4.1Å; F21-V32 HydrophobicContact CB-CG1 3.6Å; F21-V32 HydrophobicContact CB-CG2 4.31Å; F21-V32 HydrophobicContact CG-CG1 4.4Å; V28-V32 HydrophobicContact CG1-CB 3.83Å; V28-V32 HydrophobicContact CG1-CG1 3.52Å; T29-V32 PolarHBondContact O-N 2.97Å; E30-V32 VanDerWaalsContact C-N 3.28Å; E30-V32 PolarHBondContact O-N 3.22Å; V32-T36 VanDerWaalsContact O-CB 3.3Å; V32-T36 WeakPolarHBondContact O-CB 3.37Å; V32-T36 PolarHBondContact O-N 3.16Å; V32-T36 PolarHBondContact O-OG1 3.38Å; V32-P80 HydrophobicContact CG1-CG 4.14Å
33	W	95.4	Very high	95.2	Very high	65 Å²	65	68.8 Å²	68.8	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-53.1	174.9	-88.2	111.9	0	0	0	111.3	L25 V28 T29 E30 K35 T36 L37 P80 V83	L25-W33 HydrophobicContact CD1-CH2 3.93Å; L25-W33 HydrophobicContact CD1-CZ2 3.2Å; L25-W33 HydrophobicContact CG-CZ2 4.31Å; V28-W33 VanDerWaalsContact CG1-CD1 3.42Å; V28-W33 HydrophobicContact CG1-CG 4.12Å; T29-W33 PolarHBondContact O-N 2.99Å; E30-W33 WeakPolarHBondContact O-CA 3.4Å; E30-W33 VanDerWaalsContact O-CB 3.29Å; E30-W33 WeakPolarHBondContact O-CB 3.35Å; E30-W33 PolarHBondContact O-N 3.47Å; W33-K35 PolarHBondContact O-N 2.79Å; W33-T36 PolarHBondContact O-N 3Å; W33-T36 VanDerWaalsContact O-N 3.14Å; W33-L37 HydrophobicContact CE3-CD1 4.07Å; W33-L37 HydrophobicContact CE3-CG 4.26Å; W33-L37 WeakPolarHBondContact O-CG 3.12Å; W33-L37 PolarHBondContact O-N 2.92Å; W33-P80 HydrophobicContact CD2-CB 4.04Å; W33-P80 HydrophobicContact CD2-CG 4.28Å; W33-P80 HydrophobicContact CE3-CB 3.79Å; W33-P80 HydrophobicContact CE3-CG 4.49Å; W33-P80 HydrophobicContact CH2-CB 4.37Å; W33-P80 HydrophobicContact CZ3-CB 3.94Å; W33-V83 HydrophobicContact CH2-CB 4.05Å; W33-V83 HydrophobicContact CH2-CG1 4.16Å; W33-V83 HydrophobicContact CH2-CG2 3.96Å; W33-V83 HydrophobicContact CZ3-CB 4.04Å; W33-V83 HydrophobicContact CZ3-CG1 4.01Å; W33-V83 HydrophobicContact CZ3-CG2 4.46Å
34	D	96.8	Very high	95.6	Very high	84 Å²	84	67.9 Å²	67.9	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-56.7	-52.3	-179.3	-74.8	-16.9	0	0	0	110.9	E30 T36 L37 D38	E30-D34 PolarHBondContact O-N 2.96Å; D34-T36 VanDerWaalsContact C-N 3.27Å; D34-T36 PolarHBondContact O-N 3.32Å; D34-L37 PolarHBondContact O-N 2.99Å; D34-D38 WeakPolarHBondContact O-CB 3.4Å; D34-D38 PolarHBondContact O-N 3.1Å
35	K	96.6	Very high	96	Very high	113 Å²	113	66.4 Å²	66.4	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-40.4	178.6	-176.4	170.9	-177.7	173.6	0	112.3	V18 E31 W33 I39	V18-K35 HydrophobicContact CG2-CG 4.46Å; E31-K35 VanDerWaalsContact O-CB 3.27Å; E31-K35 WeakPolarHBondContact O-CB 3.32Å; E31-K35 PolarHBondContact O-N 3.28Å; W33-K35 PolarHBondContact O-N 2.79Å; K35-I39 HydrophobicContact CG-CD1 3.96Å; K35-I39 WeakPolarHBondContact O-CB 3.49Å; K35-I39 WeakPolarHBondContact O-CG1 3.34Å; K35-I39 PolarHBondContact O-N 3.06Å
36	T	96.6	Very high	96.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.4	-46.2	-179.6	-57	0	0	0	0	111	V32 W33 D34 N40 P80	V32-T36 VanDerWaalsContact O-CB 3.3Å; V32-T36 WeakPolarHBondContact O-CB 3.37Å; V32-T36 PolarHBondContact O-N 3.16Å; V32-T36 PolarHBondContact O-OG1 3.38Å; W33-T36 PolarHBondContact O-N 3Å; W33-T36 VanDerWaalsContact O-N 3.14Å; D34-T36 VanDerWaalsContact C-N 3.27Å; D34-T36 PolarHBondContact O-N 3.32Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.32Å; T36-N40 WeakPolarHBondContact O-CA 3.41Å; T36-N40 WeakPolarHBondContact O-CB 3.39Å; T36-N40 PolarHBondContact O-N 3.01Å; T36-N40 PolarHBondContact O-OD1 2.75Å; T36-P80 HydrophobicContact CG2-CB 4.09Å
37	L	97.2	Very high	96.6	Very high	64 Å²	64	64.4 Å²	64.4	34%	0.335	33%	0.331	S	S	.	.	H	α-helix	trans	-73.6	-38.3	-178.7	-65.6	178.3	0	0	0	112.4	W33 D34 I39 V41 K42	W33-L37 HydrophobicContact CE3-CD1 4.07Å; W33-L37 HydrophobicContact CE3-CG 4.26Å; W33-L37 WeakPolarHBondContact O-CG 3.12Å; W33-L37 PolarHBondContact O-N 2.92Å; D34-L37 PolarHBondContact O-N 2.99Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 3.22Å; L37-V41 HydrophobicContact CD2-CG2 4.02Å; L37-V41 WeakPolarHBondContact O-CB 3.43Å; L37-V41 PolarHBondContact O-N 3.35Å; L37-K42 PolarHBondContact O-N 2.97Å
38	D	97.7	Very high	96.8	Very high	73 Å²	73	59 Å²	59	39%	0.39	30%	0.302	S	S	.	.	I	π-helix	trans	-58.7	-45.5	176.1	-90	-21.4	0	0	0	111	D34 K42 A43	D34-D38 WeakPolarHBondContact O-CB 3.4Å; D34-D38 PolarHBondContact O-N 3.1Å; D38-K42 WeakPolarHBondContact O-CB 3.37Å; D38-K42 WeakPolarHBondContact OD1-CD 3.39Å; D38-K42 IonicContact OD1-NZ 2.84Å; D38-K42 PolarHBondContact OD1-NZ 3.13Å; D38-A43 WeakPolarHBondContact O-CB 3.42Å; D38-A43 PolarHBondContact O-N 2.78Å
39	I	96.8	Very high	96.9	Very high	53 Å²	53	65.8 Å²	65.8	27%	0.272	33%	0.33	S	S	.	.	I	π-helix	trans	-81.8	-49	-178.1	-65.2	170.8	0	0	0	111.2	V18 K35 L37 A43 P44	V18-I39 HydrophobicContact CB-CD1 4.5Å; V18-I39 HydrophobicContact CG1-CD1 3.89Å; V18-I39 HydrophobicContact CG1-CG2 4.17Å; V18-I39 HydrophobicContact CG2-CB 3.99Å; V18-I39 HydrophobicContact CG2-CD1 3.79Å; V18-I39 HydrophobicContact CG2-CG1 4.44Å; V18-I39 HydrophobicContact CG2-CG2 4.16Å; K35-I39 HydrophobicContact CG-CD1 3.96Å; K35-I39 WeakPolarHBondContact O-CB 3.49Å; K35-I39 WeakPolarHBondContact O-CG1 3.34Å; K35-I39 PolarHBondContact O-N 3.06Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 3.22Å; I39-A43 WeakPolarHBondContact O-CB 3.48Å; I39-P44 WeakPolarHBondContact O-CD 3.36Å
40	N	96.6	Very high	96.9	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	34%	0.336	C	S	.	.	I	π-helix	trans	-81.5	-22.7	-168.1	-60.7	4.6	0	0	0	113	A17 V18 T36 P44 S84 L88	A17-N40 WeakPolarHBondContact CA-OD1 3.21Å; V18-N40 PolarHBondContact N-OD1 3.49Å; V18-N40 PolarHBondContact O-ND2 2.71Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.32Å; T36-N40 WeakPolarHBondContact O-CA 3.41Å; T36-N40 WeakPolarHBondContact O-CB 3.39Å; T36-N40 PolarHBondContact O-N 3.01Å; T36-N40 PolarHBondContact O-OD1 2.75Å; N40-P44 WeakPolarHBondContact O-CG 3.27Å; N40-S84 PolarHBondContact ND2-OG 2.75Å; N40-L88 WeakPolarHBondContact O-CD2 3.49Å
41	V	96.9	Very high	96.9	Very high	30 Å²	30	59.1 Å²	59.1	18%	0.182	31%	0.306	C	S	.	.	I	π-helix	trans	-121.5	-56.5	-173.2	-174.3	0	0	0	0	111.4	L37 P44 A45 A87	L37-V41 HydrophobicContact CD2-CG2 4.02Å; L37-V41 WeakPolarHBondContact O-CB 3.43Å; L37-V41 PolarHBondContact O-N 3.35Å; V41-P44 VanDerWaalsContact O-CD 3.27Å; V41-P44 WeakPolarHBondContact O-CD 3.38Å; V41-A45 PolarHBondContact O-N 2.79Å; V41-A87 HydrophobicContact CG1-CB 4.26Å; V41-A87 HydrophobicContact CG2-CB 3.92Å
42	K	97.8	Very high	96.9	Very high	112 Å²	112	53.3 Å²	53.3	49%	0.487	28%	0.28	S	S	.	.	I	π-helix	trans	-68.2	-42.6	-175.1	-179.2	-173.9	176.1	179.3	0	112	L37 D38 A45 L46	L37-K42 PolarHBondContact O-N 2.97Å; D38-K42 WeakPolarHBondContact O-CB 3.37Å; D38-K42 WeakPolarHBondContact OD1-CD 3.39Å; D38-K42 IonicContact OD1-NZ 2.84Å; D38-K42 PolarHBondContact OD1-NZ 3.13Å; K42-A45 WeakPolarHBondContact O-CB 3.4Å; K42-A45 PolarHBondContact O-N 2.8Å; K42-A45 VanDerWaalsContact O-N 3.17Å; K42-L46 HydrophobicContact CD-CD1 4.45Å; K42-L46 HydrophobicContact CG-CD1 3.81Å; K42-L46 HydrophobicContact CG-CG 4.17Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 2.78Å
43	A	97.8	Very high	97	Very high	35 Å²	35	54.9 Å²	54.9	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-47.4	178	0	0	0	0	0	112.9	D38 I39 A45 L46 M47	D38-A43 WeakPolarHBondContact O-CB 3.42Å; D38-A43 PolarHBondContact O-N 2.78Å; I39-A43 WeakPolarHBondContact O-CB 3.48Å; A43-A45 VanDerWaalsContact C-N 3.31Å; A43-A45 PolarHBondContact O-N 3.35Å; A43-L46 PolarHBondContact O-N 3.2Å; A43-M47 VanDerWaalsContact O-CB 3.29Å; A43-M47 WeakPolarHBondContact O-CB 3.23Å; A43-M47 WeakPolarHBondContact O-CG 3.18Å; A43-M47 PolarHBondContact O-N 2.89Å
44	P	96.9	Very high	97	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-52.5	-43.5	171.2	-25.4	25.8	0	0	0	114.5	S14 I39 N40 V41 T48 L88 L91	S14-P44 WeakPolarHBondContact OG-CA 3.49Å; S14-P44 WeakPolarHBondContact OG-CB 3.45Å; S14-P44 WeakPolarHBondContact OG-CG 3.24Å; I39-P44 WeakPolarHBondContact O-CD 3.36Å; N40-P44 WeakPolarHBondContact O-CG 3.27Å; V41-P44 VanDerWaalsContact O-CD 3.27Å; V41-P44 WeakPolarHBondContact O-CD 3.38Å; P44-T48 WeakPolarHBondContact O-CB 3.35Å; P44-T48 PolarHBondContact O-N 2.77Å; P44-T48 PolarHBondContact O-OG1 3.28Å; P44-L88 HydrophobicContact CB-CD2 4.41Å; P44-L88 HydrophobicContact CG-CD2 4.08Å; P44-L91 HydrophobicContact CB-CD2 4.04Å
45	A	97.6	Very high	97	Very high	30 Å²	30	49.5 Å²	49.5	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-47.4	178.9	0	0	0	0	0	111.7	V41 K42 A43 T48 K49 L91	V41-A45 PolarHBondContact O-N 2.79Å; K42-A45 WeakPolarHBondContact O-CB 3.4Å; K42-A45 PolarHBondContact O-N 2.8Å; K42-A45 VanDerWaalsContact O-N 3.17Å; A43-A45 VanDerWaalsContact C-N 3.31Å; A43-A45 PolarHBondContact O-N 3.35Å; A45-T48 PolarHBondContact O-N 2.95Å; A45-K49 PolarHBondContact O-N 3.04Å; A45-L91 HydrophobicContact CB-CD1 3.87Å; A45-L91 HydrophobicContact CB-CD2 4.06Å
46	L	98	Very high	96.9	Very high	95 Å²	95	47.9 Å²	47.9	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-38.4	179.5	-67.1	179.4	0	0	0	112.4	K42 A43 T48 K49 A50	K42-L46 HydrophobicContact CD-CD1 4.45Å; K42-L46 HydrophobicContact CG-CD1 3.81Å; K42-L46 HydrophobicContact CG-CG 4.17Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 2.78Å; A43-L46 PolarHBondContact O-N 3.2Å; L46-T48 VanDerWaalsContact C-N 3.35Å; L46-K49 WeakPolarHBondContact O-CB 3.41Å; L46-K49 PolarHBondContact O-N 2.94Å; L46-A50 WeakPolarHBondContact O-CB 3.39Å; L46-A50 PolarHBondContact O-N 2.82Å
47	M	96.8	Very high	96.9	Very high	95 Å²	95	55.1 Å²	55.1	47%	0.468	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-42.9	173.5	-74.3	-65.2	-60.4	0	0	110.9	L12 A43 A50 V51	L12-M47 HydrophobicContact CD1-CE 4.22Å; L12-M47 HydrophobicContact CD2-CB 4.06Å; A43-M47 VanDerWaalsContact O-CB 3.29Å; A43-M47 WeakPolarHBondContact O-CB 3.23Å; A43-M47 WeakPolarHBondContact O-CG 3.18Å; A43-M47 PolarHBondContact O-N 2.89Å; M47-A50 PolarHBondContact O-N 3.29Å; M47-A50 VanDerWaalsContact O-N 3.16Å; M47-V51 WeakPolarHBondContact O-CG1 3.26Å; M47-V51 PolarHBondContact O-N 3.33Å
48	T	97.5	Very high	96.7	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-49.5	175.2	-58.6	0	0	0	0	110.5	P44 A45 L46 A50 V51 V52 V63 L95 L99	P44-T48 WeakPolarHBondContact O-CB 3.35Å; P44-T48 PolarHBondContact O-N 2.77Å; P44-T48 PolarHBondContact O-OG1 3.28Å; A45-T48 PolarHBondContact O-N 2.95Å; L46-T48 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.18Å; T48-V51 WeakPolarHBondContact O-CG2 3.44Å; T48-V51 PolarHBondContact O-N 3.01Å; T48-V51 VanDerWaalsContact O-N 3.13Å; T48-V52 HydrophobicContact CG2-CG2 4.04Å; T48-V52 WeakPolarHBondContact O-CG2 3.18Å; T48-V52 PolarHBondContact O-N 3.29Å; T48-V63 HydrophobicContact CG2-CG2 4.11Å; T48-L95 HydrophobicContact CG2-CD1 4.12Å; T48-L95 HydrophobicContact CG2-CD2 4.16Å; T48-L99 HydrophobicContact CG2-CD1 3.69Å
49	K	97.3	Very high	96.6	Very high	159 Å²	159	56.7 Å²	56.7	69%	0.691	30%	0.302	S	S	*	.	H	α-helix	trans	-53.7	-40.3	174.8	179.6	-179.8	177.9	178.9	0	112.5	A45 L46 P53	A45-K49 PolarHBondContact O-N 3.04Å; L46-K49 WeakPolarHBondContact O-CB 3.41Å; L46-K49 PolarHBondContact O-N 2.94Å; K49-P53 WeakPolarHBondContact O-CD 3.36Å
50	A	96.4	Very high	96.6	Very high	65 Å²	65	54.7 Å²	54.7	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-71.5	-32.4	-179	0	0	0	0	0	113.6	L46 M47 T48	L46-A50 WeakPolarHBondContact O-CB 3.39Å; L46-A50 PolarHBondContact O-N 2.82Å; M47-A50 PolarHBondContact O-N 3.29Å; M47-A50 VanDerWaalsContact O-N 3.16Å; T48-A50 PolarHBondContact O-N 3.18Å
51	V	96.4	Very high	96.6	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-89.9	-23.4	-178.1	-57.1	0	0	0	0	113.8	I9 L12 M47 T48 E54 M55	I9-V51 HydrophobicContact CD1-CB 4.23Å; I9-V51 HydrophobicContact CD1-CG1 3.7Å; I9-V51 HydrophobicContact CG2-CB 4.25Å; I9-V51 HydrophobicContact CG2-CG1 4.28Å; L12-V51 HydrophobicContact CB-CG2 4.04Å; L12-V51 HydrophobicContact CD2-CG1 4.38Å; L12-V51 HydrophobicContact CD2-CG2 3.73Å; L12-V51 HydrophobicContact CG-CG2 4.46Å; M47-V51 WeakPolarHBondContact O-CG1 3.26Å; M47-V51 PolarHBondContact O-N 3.33Å; T48-V51 WeakPolarHBondContact O-CG2 3.44Å; T48-V51 PolarHBondContact O-N 3.01Å; T48-V51 VanDerWaalsContact O-N 3.13Å; V51-E54 WeakPolarHBondContact O-CB 3.5Å; V51-E54 PolarHBondContact O-N 3.09Å; V51-M55 HydrophobicContact CB-CE 4.23Å; V51-M55 HydrophobicContact CG2-CE 3.69Å; V51-M55 HydrophobicContact CG2-SD 4.05Å; V51-M55 PolarHBondContact O-N 3.39Å
52	V	97.1	Very high	96.7	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-47.4	-177.7	161.7	0	0	0	0	112.7	T48 E54 M55 E56 L99 I104	T48-V52 HydrophobicContact CG2-CG2 4.04Å; T48-V52 WeakPolarHBondContact O-CG2 3.18Å; T48-V52 PolarHBondContact O-N 3.29Å; V52-E54 PolarHBondContact O-N 2.92Å; V52-M55 PolarHBondContact O-N 2.92Å; V52-M55 VanDerWaalsContact O-N 3.13Å; V52-E56 HydrophobicContact CG1-CG 4.29Å; V52-E56 WeakPolarHBondContact O-CG 3.09Å; V52-E56 PolarHBondContact O-N 3.42Å; V52-L99 HydrophobicContact CG1-CD2 4.21Å; V52-L99 HydrophobicContact CG2-CD1 3.8Å; V52-L99 HydrophobicContact CG2-CD2 3.76Å; V52-L99 HydrophobicContact CG2-CG 4.46Å; V52-I104 HydrophobicContact CB-CD1 4.38Å; V52-I104 HydrophobicContact CG1-CD1 4.05Å; V52-I104 HydrophobicContact CG2-CD1 4.13Å
53	P	96.1	Very high	96.7	Very high	57 Å²	57	49.2 Å²	49.2	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-32.3	178.1	-24.9	35	0	0	0	113.5	K49 K57	K49-P53 WeakPolarHBondContact O-CD 3.36Å; P53-K57 VanDerWaalsContact O-CG 3.31Å; P53-K57 WeakPolarHBondContact O-CG 3.28Å; P53-K57 PolarHBondContact O-N 2.93Å
54	E	95.8	Very high	96.7	Very high	37 Å²	37	48.8 Å²	48.8	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-76.9	-33.8	178.1	-60.4	-57.6	135.4	0	0	111.9	V3 I9 V51 V52 K57 R58	V3-E54 HydrophobicContact CG2-CG 3.84Å; I9-E54 HydrophobicContact CB-CB 4.28Å; I9-E54 HydrophobicContact CG1-CB 4.48Å; V51-E54 WeakPolarHBondContact O-CB 3.5Å; V51-E54 PolarHBondContact O-N 3.09Å; V52-E54 PolarHBondContact O-N 2.92Å; E54-K57 IonicContact OE1-NZ 3.49Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 IonicContact OE2-NZ 3.08Å; E54-K57 PolarHBondContact OE2-NZ 3.17Å; E54-R58 WeakPolarHBondContact O-CG 3.17Å
55	M	96.9	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-40.9	172.4	-69.3	176.3	175.7	0	0	111.4	I9 L12 V51 V52 K57 R58 G59 G60 V63 I104	I9-M55 HydrophobicContact CG2-CE 4.07Å; I9-M55 WeakPolarHBondContact O-CG 3.31Å; L12-M55 HydrophobicContact CB-CE 3.92Å; V51-M55 HydrophobicContact CB-CE 4.23Å; V51-M55 HydrophobicContact CG2-CE 3.69Å; V51-M55 HydrophobicContact CG2-SD 4.05Å; V51-M55 PolarHBondContact O-N 3.39Å; V52-M55 PolarHBondContact O-N 2.92Å; V52-M55 VanDerWaalsContact O-N 3.13Å; M55-K57 VanDerWaalsContact C-N 3.35Å; M55-K57 PolarHBondContact O-N 3.03Å; M55-R58 CarbonylContact O-C 3.56Å; M55-R58 WeakPolarHBondContact O-CA 3.37Å; M55-R58 PolarHBondContact O-N 2.96Å; M55-G59 PolarHBondContact O-N 3.03Å; M55-G60 CarbonylContact O-C 3.52Å; M55-G60 PolarHBondContact O-N 2.94Å; M55-V63 HydrophobicContact CE-CG2 4.16Å; M55-V63 HydrophobicContact SD-CG2 4.26Å; M55-I104 HydrophobicContact CB-CD1 3.75Å; M55-I104 HydrophobicContact CB-CG1 4.03Å; M55-I104 HydrophobicContact SD-CD1 4.33Å; M55-I104 HydrophobicContact SD-CG1 4.39Å; M55-I104 HydrophobicContact SD-CG2 4.05Å
56	E	95.6	Very high	96.6	Very high	79 Å²	79	47.9 Å²	47.9	37%	0.369	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-43.1	176.6	-75.1	176	150.3	0	0	112	V52 R58 G59 R102 I104	V52-E56 HydrophobicContact CG1-CG 4.29Å; V52-E56 WeakPolarHBondContact O-CG 3.09Å; V52-E56 PolarHBondContact O-N 3.42Å; E56-R58 PolarHBondContact O-N 2.8Å; E56-R58 VanDerWaalsContact O-N 3.11Å; E56-G59 PolarHBondContact O-N 3.27Å; E56-R102 HydrophobicContact CG-CB 4.29Å; E56-R102 WeakPolarHBondContact OE1-CD 3.42Å; E56-R102 WeakPolarHBondContact OE1-CG 3.49Å; E56-R102 IonicContact OE1-CZ 3.53Å; E56-R102 IonicContact OE1-NE 3.62Å; E56-R102 IonicContact OE1-NH1 2.75Å; E56-R102 PolarHBondContact OE1-NH1 2.94Å; E56-R102 IonicContact OE2-NH1 3.85Å; E56-I104 HydrophobicContact CG-CD1 4.3Å
57	K	95.3	Very high	96.3	Very high	152 Å²	152	43.5 Å²	43.5	66%	0.661	24%	0.236	S	C	*	.	H	α-helix	trans	-58.1	-25.1	174.3	-71.8	169.5	-170	171.4	0	113.1	P53 E54 M55	P53-K57 VanDerWaalsContact O-CG 3.31Å; P53-K57 WeakPolarHBondContact O-CG 3.28Å; P53-K57 PolarHBondContact O-N 2.93Å; E54-K57 IonicContact OE1-NZ 3.49Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 IonicContact OE2-NZ 3.08Å; E54-K57 PolarHBondContact OE2-NZ 3.17Å; M55-K57 VanDerWaalsContact C-N 3.35Å; M55-K57 PolarHBondContact O-N 3.03Å
58	R	93.6	Very high	95.9	Very high	120 Å²	120	39.4 Å²	39.4	45%	0.453	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.7	178.6	-60.8	-170.6	74.6	173.1	-10.3	113.1	D10 E54 M55 E56	D10-R58 IonicContact OD1-CZ 2.97Å; D10-R58 IonicContact OD1-NE 3.98Å; D10-R58 PolarHBondContact OD1-NE 2.96Å; D10-R58 VanDerWaalsContact OD1-NE 3.08Å; D10-R58 IonicContact OD1-NH1 2.65Å; D10-R58 PolarHBondContact OD1-NH1 2.89Å; D10-R58 IonicContact OD1-NH2 2.82Å; D10-R58 PolarHBondContact OD1-NH2 3.39Å; D10-R58 IonicContact OD2-CZ 2.71Å; D10-R58 IonicContact OD2-NE 3.2Å; D10-R58 IonicContact OD2-NH1 2.77Å; D10-R58 PolarHBondContact OD2-NH1 3.06Å; D10-R58 IonicContact OD2-NH2 2.85Å; D10-R58 PolarHBondContact OD2-NH2 3.14Å; E54-R58 WeakPolarHBondContact O-CG 3.17Å; M55-R58 CarbonylContact O-C 3.56Å; M55-R58 WeakPolarHBondContact O-CA 3.37Å; M55-R58 PolarHBondContact O-N 2.96Å; E56-R58 PolarHBondContact O-N 2.8Å; E56-R58 VanDerWaalsContact O-N 3.11Å
59	G	95.4	Very high	95.4	Very high	49 Å²	49	42.7 Å²	42.7	51%	0.505	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	11.4	-179.6	0	0	0	0	0	114.2	M55 E56 N103	M55-G59 PolarHBondContact O-N 3.03Å; E56-G59 PolarHBondContact O-N 3.27Å; G59-N103 PolarHBondContact O-ND2 3.33Å
60	G	96.8	Very high	94.9	Very high	11 Å²	11	35.5 Å²	35.5	11%	0.113	20%	0.204	C	C	.	.			trans	147.2	-179	178.5	0	0	0	0	0	113.5	M55 N103	M55-G60 CarbonylContact O-C 3.52Å; M55-G60 PolarHBondContact O-N 2.94Å; G60-N103 WeakPolarHBondContact CA-O 3.17Å
61	G	97.3	Very high	94.4	Very high	15 Å²	15	32.8 Å²	32.8	16%	0.155	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-175.2	-177.9	0	0	0	0	0	114.9	D10 N103 I104 R105	D10-G61 VanDerWaalsContact O-CA 3.31Å; D10-G61 WeakPolarHBondContact O-CA 3.35Å; G61-N103 PolarHBondContact N-O 3.22Å; G61-N103 VanDerWaalsContact N-O 3.1Å; G61-I104 WeakPolarHBondContact O-CA 3.26Å; G61-R105 PolarHBondContact O-N 3.44Å
62	S	98.1	Very high	94.1	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.4	178.5	-164.7	0	0	0	0	111.3	D10 I11 L12 R105	D10-S62 PolarHBondContact O-N 2.84Å; I11-S62 CarbonylContact C-O 3.54Å; I11-S62 VanDerWaalsContact CA-O 3.24Å; I11-S62 WeakPolarHBondContact CA-O 3.29Å; L12-S62 PolarHBondContact N-O 3.32Å; S62-R105 CarbonylContact C-O 3.57Å; S62-R105 WeakPolarHBondContact CA-O 3.27Å; S62-R105 PolarHBondContact OG-NH2 3.12Å
63	V	98.1	Very high	93.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.8	171.9	-178.2	0	0	0	0	108.7	L12 T48 M55 I65 I104 R105 V106 N107	L12-V63 HydrophobicContact CB-CG1 4.48Å; L12-V63 HydrophobicContact CB-CG2 4.36Å; L12-V63 HydrophobicContact CD2-CG1 4.15Å; L12-V63 HydrophobicContact CG-CG1 4.41Å; L12-V63 CarbonylContact O-C 3.57Å; L12-V63 WeakPolarHBondContact O-CA 3.43Å; T48-V63 HydrophobicContact CG2-CG2 4.11Å; M55-V63 HydrophobicContact CE-CG2 4.16Å; M55-V63 HydrophobicContact SD-CG2 4.26Å; V63-I65 HydrophobicContact CG1-CG1 4.26Å; V63-I104 HydrophobicContact CG2-CG2 4.2Å; V63-R105 PolarHBondContact N-O 3.22Å; V63-V106 HydrophobicContact CB-CB 4.43Å; V63-V106 HydrophobicContact CB-CG1 4.08Å; V63-V106 HydrophobicContact CB-CG2 4.13Å; V63-V106 HydrophobicContact CG1-CG1 4.17Å; V63-V106 HydrophobicContact CG2-CG2 4.47Å; V63-V106 WeakPolarHBondContact O-CA 3.27Å; V63-N107 PolarHBondContact O-N 3.43Å
64	V	97.8	Very high	93.1	Very high	26 Å²	26	42.9 Å²	42.9	16%	0.158	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.9	175	-179.3	0	0	0	0	108.2	L12 V13 S14 N107 L109	L12-V64 PolarHBondContact O-N 3.02Å; V13-V64 CarbonylContact C-O 3.5Å; V13-V64 WeakPolarHBondContact CA-O 3.48Å; V13-V64 HydrophobicContact CG1-CB 4.44Å; V13-V64 HydrophobicContact CG2-CB 4.33Å; S14-V64 PolarHBondContact N-O 2.85Å; V64-N107 CarbonylContact C-O 3.58Å; V64-N107 WeakPolarHBondContact CA-O 3.18Å; V64-L109 HydrophobicContact CG1-CD1 3.51Å; V64-L109 HydrophobicContact CG1-CG 3.7Å
65	I	97.3	Very high	92.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.3	175.8	-63.9	174.3	0	0	0	108.2	V63 L88 L91 N92 L95 V106 N107 C108 L109	V63-I65 HydrophobicContact CG1-CG1 4.26Å; I65-L88 HydrophobicContact CG2-CB 4.15Å; I65-L88 HydrophobicContact CG2-CD1 3.93Å; I65-L88 HydrophobicContact CG2-CD2 3.73Å; I65-L88 HydrophobicContact CG2-CG 4.15Å; I65-L91 HydrophobicContact CD1-CD2 4.36Å; I65-L91 HydrophobicContact CD1-CG 4.43Å; I65-N92 HydrophobicContact CD1-CB 4.44Å; I65-L95 HydrophobicContact CD1-CD1 4.22Å; I65-V106 HydrophobicContact CD1-CG1 4.27Å; I65-N107 PolarHBondContact N-O 2.92Å; I65-C108 CarbonylContact O-C 3.5Å; I65-C108 WeakPolarHBondContact O-CA 3.47Å; I65-L109 PolarHBondContact O-N 2.94Å
66	V	94.8	Very high	92	Very high	15 Å²	15	50 Å²	50	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	105.8	178.8	-170.9	0	0	0	0	110.2	V13 S14 N15 K85 L111	V13-V66 HydrophobicContact CG1-CG2 4.21Å; S14-V66 PolarHBondContact O-N 2.82Å; N15-V66 HydrophobicContact CB-CB 4.22Å; N15-V66 HydrophobicContact CB-CG2 3.86Å; N15-V66 WeakPolarHBondContact OD1-CB 3.31Å; N15-V66 WeakPolarHBondContact OD1-CG1 3.38Å; V66-K85 PolarHBondContact O-NZ 3.16Å; V66-L111 HydrophobicContact CG1-CD1 3.55Å
67	S	91.6	Very high	91.4	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-165.9	170.9	-165.3	0	0	0	0	111.3	K85 C108 L109 L111	S67-K85 PolarHBondContact OG-O 3.16Å; S67-C108 WeakPolarHBondContact CB-SG 3.06Å; S67-L109 CarbonylContact C-O 3.58Å; S67-L109 WeakPolarHBondContact CA-O 3.43Å; S67-L109 PolarHBondContact N-O 3.15Å; S67-L111 PolarHBondContact O-N 3.46Å
68	S	88.9	Confident	90.9	Very high	8 Å²	8	43.6 Å²	43.6	6%	0.056	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.7	-175.1	177.8	0	0	0	0	109.8	A70 A71	S68-A70 PolarHBondContact O-N 3.39Å; S68-A70 VanDerWaalsContact O-N 3.12Å; S68-A70 WeakPolarHBondContact OG-CB 3.4Å; S68-A70 PolarHBondContact OG-N 3.47Å; S68-A70 VanDerWaalsContact OG-N 3.15Å; S68-A71 WeakPolarHBondContact O-CB 3.41Å; S68-A71 PolarHBondContact O-N 3.47Å
69	I	87.9	Confident	90.5	Very high	70 Å²	70	38.7 Å²	38.7	36%	0.359	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-54.4	-25.9	165.8	-166	63.5	0	0	0	112.1	A71 F72 S73 L111 D112	I69-A71 PolarHBondContact O-N 2.95Å; I69-F72 PolarHBondContact O-N 2.86Å; I69-S73 PolarHBondContact O-N 3.43Å; I69-L111 PolarHBondContact N-O 3.45Å; I69-D112 HydrophobicContact CB-CB 4.45Å
70	A	86.3	Confident	90.3	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.9	-20.3	172.3	0	0	0	0	0	114	S68 F72 Y81 N82	S68-A70 PolarHBondContact O-N 3.39Å; S68-A70 VanDerWaalsContact O-N 3.12Å; S68-A70 WeakPolarHBondContact OG-CB 3.4Å; S68-A70 PolarHBondContact OG-N 3.47Å; S68-A70 VanDerWaalsContact OG-N 3.15Å; A70-F72 VanDerWaalsContact C-N 3.27Å; A70-F72 PolarHBondContact O-N 3.17Å; A70-Y81 HydrophobicContact CB-CD1 4.4Å; A70-Y81 HydrophobicContact CB-CE1 4.03Å; A70-N82 WeakPolarHBondContact CB-OD1 3.45Å
71	A	86.4	Confident	90.1	Very high	8 Å²	8	38 Å²	38	7%	0.066	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-67.3	-27.3	173.6	0	0	0	0	0	113.2	S68 I69 K85 T86 L89	S68-A71 WeakPolarHBondContact O-CB 3.41Å; S68-A71 PolarHBondContact O-N 3.47Å; I69-A71 PolarHBondContact O-N 2.95Å; A71-K85 VanDerWaalsContact CB-C 3.49Å; A71-K85 HydrophobicContact CB-CB 4.03Å; A71-K85 VanDerWaalsContact CB-O 3.3Å; A71-K85 WeakPolarHBondContact CB-O 3.36Å; A71-T86 PolarHBondContact O-OG1 3.43Å; A71-L89 HydrophobicContact CB-CD1 3.97Å; A71-L89 HydrophobicContact CB-CD2 4.24Å; A71-L89 HydrophobicContact CB-CG 4.14Å
72	F	88.5	Confident	89.9	Confident	124 Å²	124	38 Å²	38	54%	0.544	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-35.1	-178.5	-56	-76	0	0	0	112.6	I69 A70 L89 H110	I69-F72 PolarHBondContact O-N 2.86Å; A70-F72 VanDerWaalsContact C-N 3.27Å; A70-F72 PolarHBondContact O-N 3.17Å; F72-L89 HydrophobicContact CD1-CD1 4.14Å; F72-L89 HydrophobicContact CE1-CD1 3.52Å; F72-L89 HydrophobicContact CE2-CD1 4.48Å; F72-L89 HydrophobicContact CZ-CD1 3.72Å; F72-L89 HydrophobicContact CZ-CD2 4.03Å; F72-H110 HydrophobicContact CE2-CB 4.32Å; F72-H110 AromaticContact CE2-CD2 3.37Å; F72-H110 WeakPolarHBondContact CE2-CD2 3.41Å; F72-H110 AromaticContact CE2-CE1 3.98Å; F72-H110 AromaticContact CE2-CG 3.63Å; F72-H110 AromaticContact CE2-ND1 4Å; F72-H110 AromaticContact CE2-NE2 3.63Å; F72-H110 AromaticContact CZ-CD2 3.95Å; F72-H110 AromaticContact CZ-CE1 3.96Å; F72-H110 AromaticContact CZ-NE2 3.69Å
73	S	87.8	Confident	89.7	Confident	75 Å²	75	40.6 Å²	40.6	52%	0.524	24%	0.239	S	C	.	.	S	Bend	trans	-125.2	82.3	-179.4	-167.6	0	0	0	0	109.2	I69 S75	I69-S73 PolarHBondContact O-N 3.43Å; S73-S75 PolarHBondContact O-N 3.45Å
74	P	85.2	Confident	89.6	Confident	86 Å²	86	40.6 Å²	40.6	56%	0.558	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-66.8	134.2	-177.9	27.1	-34	0	0	0	110.5	N82	P74-N82 HydrophobicContact CB-CB 3.91Å; P74-N82 WeakPolarHBondContact CB-ND2 3.35Å
75	S	84.5	Confident	89.5	Confident	60 Å²	60	39.6 Å²	39.6	42%	0.42	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-99	138.9	175.2	-65	0	0	0	0	110.7	S73 F78 N82	S73-S75 PolarHBondContact O-N 3.45Å; S75-F78 PolarHBondContact O-N 3.02Å; S75-N82 PolarHBondContact N-ND2 3.24Å; S75-N82 PolarHBondContact O-ND2 2.89Å
76	P	84.4	Confident	89.4	Confident	126 Å²	126	42.8 Å²	42.8	82%	0.818	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	143.4	172.5	-24.9	33.9	0	0	0	111.5
77	G	83.8	Confident	89.4	Confident	20 Å²	20	44 Å²	44	21%	0.206	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-13.4	178.9	0	0	0	0	0	115.3	F22 G23	F22-G77 VanDerWaalsContact CA-O 3.27Å; F22-G77 WeakPolarHBondContact CA-O 3.47Å; G23-G77 PolarHBondContact N-O 3.2Å; G23-G77 VanDerWaalsContact N-O 3.15Å; G23-G77 WeakPolarHBondContact O-CA 3.11Å
78	F	83.4	Confident	89.7	Confident	78 Å²	78	44 Å²	44	34%	0.342	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-106	34.6	179.2	-66.1	-91.1	0	0	0	112.5	N19 F22 S75 Y81 N82	N19-F78 WeakPolarHBondContact ND2-CD1 3.16Å; F22-F78 HydrophobicContact CD1-CD1 4.49Å; F22-F78 HydrophobicContact CD1-CE1 4.12Å; F22-F78 HydrophobicContact CD1-CZ 4.34Å; F22-F78 HydrophobicContact CE1-CD1 4.11Å; F22-F78 AromaticContact CE1-CE1 3.48Å; F22-F78 HydrophobicContact CE1-CE1 3.48Å; F22-F78 VanDerWaalsContact CE1-CE1 3.48Å; F22-F78 AromaticContact CE1-CZ 3.91Å; F22-F78 HydrophobicContact CE1-CZ 3.91Å; F22-F78 HydrophobicContact CZ-CE1 4.45Å; S75-F78 PolarHBondContact O-N 3.02Å; F78-Y81 HydrophobicContact CB-CD1 4.3Å; F78-Y81 CarbonylContact O-C 3.59Å; F78-Y81 WeakPolarHBondContact O-CA 3.38Å; F78-Y81 WeakPolarHBondContact O-CB 3.37Å; F78-Y81 PolarHBondContact O-N 3.44Å; F78-Y81 VanDerWaalsContact O-N 3.14Å; F78-N82 WeakPolarHBondContact CB-OD1 3.43Å; F78-N82 PolarHBondContact O-N 3.27Å; F78-N82 PolarHBondContact O-ND2 2.78Å; F78-N82 PolarHBondContact O-OD1 2.84Å
79	S	85.8	Confident	90	Very high	17 Å²	17	45.1 Å²	45.1	12%	0.119	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-56.7	-152.1	-48.7	0	0	0	0	115.1	G23 L25 Y81 N82 V83	G23-S79 PolarHBondContact O-OG 3.08Å; G23-S79 VanDerWaalsContact O-OG 3.09Å; L25-S79 PolarHBondContact N-OG 2.97Å; S79-Y81 VanDerWaalsContact C-N 3.26Å; S79-Y81 PolarHBondContact O-N 2.98Å; S79-N82 PolarHBondContact O-N 3.15Å; S79-V83 PolarHBondContact O-N 3.36Å
80	P	91.8	Very high	90.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-32.1	177.6	-21.1	36.4	0	0	0	112.4	V28 V32 W33 T36 V83 S84	V28-P80 HydrophobicContact CB-CG 4.3Å; V28-P80 HydrophobicContact CG1-CG 3.57Å; V28-P80 HydrophobicContact CG2-CG 3.78Å; V32-P80 HydrophobicContact CG1-CG 4.14Å; W33-P80 HydrophobicContact CD2-CB 4.04Å; W33-P80 HydrophobicContact CD2-CG 4.28Å; W33-P80 HydrophobicContact CE3-CB 3.79Å; W33-P80 HydrophobicContact CE3-CG 4.49Å; W33-P80 HydrophobicContact CH2-CB 4.37Å; W33-P80 HydrophobicContact CZ3-CB 3.94Å; T36-P80 HydrophobicContact CG2-CB 4.09Å; P80-V83 PolarHBondContact O-N 3.46Å; P80-S84 WeakPolarHBondContact O-CB 3.42Å; P80-S84 PolarHBondContact O-N 3.15Å
81	Y	93.4	Very high	90.9	Very high	46 Å²	46	44.8 Å²	44.8	18%	0.18	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-46.6	177	175.3	-93.7	0	0	0	111.6	A17 N19 A70 F78 S79 V83 S84 K85	A17-Y81 HydrophobicContact CB-CE2 4.4Å; N19-Y81 HydrophobicContact CB-CD2 3.93Å; N19-Y81 HydrophobicContact CB-CG 4.12Å; N19-Y81 WeakPolarHBondContact OD1-CB 3.29Å; A70-Y81 HydrophobicContact CB-CD1 4.4Å; A70-Y81 HydrophobicContact CB-CE1 4.03Å; F78-Y81 HydrophobicContact CB-CD1 4.3Å; F78-Y81 CarbonylContact O-C 3.59Å; F78-Y81 WeakPolarHBondContact O-CA 3.38Å; F78-Y81 WeakPolarHBondContact O-CB 3.37Å; F78-Y81 PolarHBondContact O-N 3.44Å; F78-Y81 VanDerWaalsContact O-N 3.14Å; S79-Y81 VanDerWaalsContact C-N 3.26Å; S79-Y81 PolarHBondContact O-N 2.98Å; Y81-V83 VanDerWaalsContact C-N 3.33Å; Y81-V83 PolarHBondContact O-N 3.38Å; Y81-S84 PolarHBondContact O-N 3.21Å; Y81-S84 VanDerWaalsContact O-N 3.15Å; Y81-S84 PolarHBondContact O-OG 3.46Å; Y81-K85 HydrophobicContact CD1-CG 4.21Å; Y81-K85 HydrophobicContact CD2-CG 4.45Å; Y81-K85 HydrophobicContact CE1-CG 3.8Å; Y81-K85 HydrophobicContact CE2-CD 4.29Å; Y81-K85 VanDerWaalsContact CE2-CE 3.4Å; Y81-K85 HydrophobicContact CE2-CG 4.06Å; Y81-K85 WeakPolarHBondContact O-CG 3.5Å; Y81-K85 PolarHBondContact O-N 3.21Å; Y81-K85 WeakPolarHBondContact OH-CE 3.42Å
82	N	92.7	Very high	91.4	Very high	14 Å²	14	45.1 Å²	45.1	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-54.6	-50.9	176.7	-67.9	-21.9	0	0	0	110.6	A70 P74 S75 F78 S79 S84 K85 T86	A70-N82 WeakPolarHBondContact CB-OD1 3.45Å; P74-N82 HydrophobicContact CB-CB 3.91Å; P74-N82 WeakPolarHBondContact CB-ND2 3.35Å; S75-N82 PolarHBondContact N-ND2 3.24Å; S75-N82 PolarHBondContact O-ND2 2.89Å; F78-N82 WeakPolarHBondContact CB-OD1 3.43Å; F78-N82 PolarHBondContact O-N 3.27Å; F78-N82 PolarHBondContact O-ND2 2.78Å; F78-N82 PolarHBondContact O-OD1 2.84Å; S79-N82 PolarHBondContact O-N 3.15Å; N82-S84 VanDerWaalsContact C-N 3.33Å; N82-S84 PolarHBondContact O-N 3.07Å; N82-K85 PolarHBondContact O-N 3.03Å; N82-K85 VanDerWaalsContact O-N 3.14Å; N82-T86 PolarHBondContact O-N 3.13Å; N82-T86 PolarHBondContact O-OG1 3.41Å
83	V	94.3	Very high	91.8	Very high	67 Å²	67	43.8 Å²	43.8	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-45.1	178.1	176	0	0	0	0	111	W33 S79 P80 Y81 K85 T86 A87	W33-V83 HydrophobicContact CH2-CB 4.05Å; W33-V83 HydrophobicContact CH2-CG1 4.16Å; W33-V83 HydrophobicContact CH2-CG2 3.96Å; W33-V83 HydrophobicContact CZ3-CB 4.04Å; W33-V83 HydrophobicContact CZ3-CG1 4.01Å; W33-V83 HydrophobicContact CZ3-CG2 4.46Å; S79-V83 PolarHBondContact O-N 3.36Å; P80-V83 PolarHBondContact O-N 3.46Å; Y81-V83 VanDerWaalsContact C-N 3.33Å; Y81-V83 PolarHBondContact O-N 3.38Å; V83-K85 VanDerWaalsContact C-N 3.29Å; V83-K85 PolarHBondContact O-N 3.41Å; V83-T86 PolarHBondContact O-N 3.4Å; V83-A87 WeakPolarHBondContact O-CB 3.42Å; V83-A87 PolarHBondContact O-N 2.68Å
84	S	95.7	Very high	92.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-36.9	178.1	79.2	0	0	0	0	112.9	N40 P80 Y81 N82 A87 L88	N40-S84 PolarHBondContact ND2-OG 2.75Å; P80-S84 WeakPolarHBondContact O-CB 3.42Å; P80-S84 PolarHBondContact O-N 3.15Å; Y81-S84 PolarHBondContact O-N 3.21Å; Y81-S84 VanDerWaalsContact O-N 3.15Å; Y81-S84 PolarHBondContact O-OG 3.46Å; N82-S84 VanDerWaalsContact C-N 3.33Å; N82-S84 PolarHBondContact O-N 3.07Å; S84-A87 WeakPolarHBondContact O-CB 2.99Å; S84-A87 PolarHBondContact O-N 3.15Å; S84-L88 PolarHBondContact O-N 2.95Å; S84-L88 VanDerWaalsContact O-N 3.14Å
85	K	94.4	Very high	92.9	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-74.3	-33	179.5	-68.3	-56.1	-167.5	-177	0	112.3	V66 S67 A71 Y81 N82 V83 L88	V66-K85 PolarHBondContact O-NZ 3.16Å; S67-K85 PolarHBondContact OG-O 3.16Å; A71-K85 VanDerWaalsContact CB-C 3.49Å; A71-K85 HydrophobicContact CB-CB 4.03Å; A71-K85 VanDerWaalsContact CB-O 3.3Å; A71-K85 WeakPolarHBondContact CB-O 3.36Å; Y81-K85 HydrophobicContact CD1-CG 4.21Å; Y81-K85 HydrophobicContact CD2-CG 4.45Å; Y81-K85 HydrophobicContact CE1-CG 3.8Å; Y81-K85 HydrophobicContact CE2-CD 4.29Å; Y81-K85 VanDerWaalsContact CE2-CE 3.4Å; Y81-K85 HydrophobicContact CE2-CG 4.06Å; Y81-K85 WeakPolarHBondContact O-CG 3.5Å; Y81-K85 PolarHBondContact O-N 3.21Å; Y81-K85 WeakPolarHBondContact OH-CE 3.42Å; N82-K85 PolarHBondContact O-N 3.03Å; N82-K85 VanDerWaalsContact O-N 3.14Å; V83-K85 VanDerWaalsContact C-N 3.29Å; V83-K85 PolarHBondContact O-N 3.41Å; K85-L88 HydrophobicContact CD-CD1 3.85Å
86	T	95.1	Very high	93.5	Very high	68 Å²	68	38.9 Å²	38.9	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-41.1	168.1	-54.3	0	0	0	0	111.3	A71 N82 V83 L88 L89	A71-T86 PolarHBondContact O-OG1 3.43Å; N82-T86 PolarHBondContact O-N 3.13Å; N82-T86 PolarHBondContact O-OG1 3.41Å; V83-T86 PolarHBondContact O-N 3.4Å; T86-L88 PolarHBondContact O-N 2.96Å; T86-L89 VanDerWaalsContact O-CB 3.26Å; T86-L89 WeakPolarHBondContact O-CB 3.3Å; T86-L89 WeakPolarHBondContact O-CG 3.3Å; T86-L89 PolarHBondContact O-N 3.38Å
87	A	96.4	Very high	94.2	Very high	40 Å²	40	39.1 Å²	39.1	33%	0.331	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-33.7	177.5	0	0	0	0	0	112.6	V41 V83 S84 L89 G90 L91	V41-A87 HydrophobicContact CG1-CB 4.26Å; V41-A87 HydrophobicContact CG2-CB 3.92Å; V83-A87 WeakPolarHBondContact O-CB 3.42Å; V83-A87 PolarHBondContact O-N 2.68Å; S84-A87 WeakPolarHBondContact O-CB 2.99Å; S84-A87 PolarHBondContact O-N 3.15Å; A87-L89 PolarHBondContact O-N 2.69Å; A87-G90 PolarHBondContact O-N 2.93Å; A87-L91 PolarHBondContact O-N 3.26Å
88	L	96.3	Very high	94.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-28	173.6	-73.3	-179.6	0	0	0	113.7	N40 P44 I65 S84 K85 T86 L91 N92	N40-L88 WeakPolarHBondContact O-CD2 3.49Å; P44-L88 HydrophobicContact CB-CD2 4.41Å; P44-L88 HydrophobicContact CG-CD2 4.08Å; I65-L88 HydrophobicContact CG2-CB 4.15Å; I65-L88 HydrophobicContact CG2-CD1 3.93Å; I65-L88 HydrophobicContact CG2-CD2 3.73Å; I65-L88 HydrophobicContact CG2-CG 4.15Å; S84-L88 PolarHBondContact O-N 2.95Å; S84-L88 VanDerWaalsContact O-N 3.14Å; K85-L88 HydrophobicContact CD-CD1 3.85Å; T86-L88 PolarHBondContact O-N 2.96Å; L88-L91 HydrophobicContact CD2-CD2 4.03Å; L88-N92 VanDerWaalsContact O-CB 3.28Å; L88-N92 WeakPolarHBondContact O-CB 3.49Å; L88-N92 PolarHBondContact O-N 3.42Å
89	L	95.5	Very high	95.6	Very high	33 Å²	33	40.6 Å²	40.6	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-45.7	175.4	-52.2	-175.2	0	0	0	110.9	A71 F72 T86 A87 N92 N93 H110	A71-L89 HydrophobicContact CB-CD1 3.97Å; A71-L89 HydrophobicContact CB-CD2 4.24Å; A71-L89 HydrophobicContact CB-CG 4.14Å; F72-L89 HydrophobicContact CD1-CD1 4.14Å; F72-L89 HydrophobicContact CE1-CD1 3.52Å; F72-L89 HydrophobicContact CE2-CD1 4.48Å; F72-L89 HydrophobicContact CZ-CD1 3.72Å; F72-L89 HydrophobicContact CZ-CD2 4.03Å; T86-L89 VanDerWaalsContact O-CB 3.26Å; T86-L89 WeakPolarHBondContact O-CB 3.3Å; T86-L89 WeakPolarHBondContact O-CG 3.3Å; T86-L89 PolarHBondContact O-N 3.38Å; A87-L89 PolarHBondContact O-N 2.69Å; L89-N92 PolarHBondContact O-N 2.89Å; L89-N93 VanDerWaalsContact O-CG 3.29Å; L89-N93 PolarHBondContact O-N 2.99Å; L89-N93 VanDerWaalsContact O-N 3.1Å; L89-H110 WeakPolarHBondContact CD2-NE2 3.37Å
90	G	96.8	Very high	96.1	Very high	40 Å²	40	42.6 Å²	42.6	41%	0.412	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-49	174.6	0	0	0	0	0	111.2	A87 N92 N93 T94	A87-G90 PolarHBondContact O-N 2.93Å; G90-N92 VanDerWaalsContact C-N 3.33Å; G90-N92 PolarHBondContact O-N 3.37Å; G90-N93 PolarHBondContact O-N 3.19Å; G90-T94 PolarHBondContact O-N 3.46Å; G90-T94 PolarHBondContact O-OG1 3.14Å
91	L	97.1	Very high	96.4	Very high	30 Å²	30	48.2 Å²	48.2	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-45.3	177.5	-179.9	63.1	0	0	0	112	P44 A45 I65 A87 L88 N93 T94 L95	P44-L91 HydrophobicContact CB-CD2 4.04Å; A45-L91 HydrophobicContact CB-CD1 3.87Å; A45-L91 HydrophobicContact CB-CD2 4.06Å; I65-L91 HydrophobicContact CD1-CD2 4.36Å; I65-L91 HydrophobicContact CD1-CG 4.43Å; A87-L91 PolarHBondContact O-N 3.26Å; L88-L91 HydrophobicContact CD2-CD2 4.03Å; L91-N93 PolarHBondContact O-N 3.34Å; L91-T94 PolarHBondContact O-N 2.89Å; L91-L95 HydrophobicContact CD1-CD1 3.74Å; L91-L95 HydrophobicContact CD1-CG 3.94Å; L91-L95 HydrophobicContact CD2-CD1 4.43Å; L91-L95 HydrophobicContact CG-CD1 3.77Å; L91-L95 HydrophobicContact CG-CG 4.34Å; L91-L95 WeakPolarHBondContact O-CB 3.43Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 3.34Å
92	N	97.1	Very high	96.6	Very high	16 Å²	16	51.7 Å²	51.7	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-48.8	176.7	174	85	0	0	0	111.7	I65 L88 L89 G90 L95 A96 N107 C108	I65-N92 HydrophobicContact CD1-CB 4.44Å; L88-N92 VanDerWaalsContact O-CB 3.28Å; L88-N92 WeakPolarHBondContact O-CB 3.49Å; L88-N92 PolarHBondContact O-N 3.42Å; L89-N92 PolarHBondContact O-N 2.89Å; G90-N92 VanDerWaalsContact C-N 3.33Å; G90-N92 PolarHBondContact O-N 3.37Å; N92-L95 PolarHBondContact O-N 2.96Å; N92-A96 VanDerWaalsContact O-CB 3.26Å; N92-A96 WeakPolarHBondContact O-CB 3.09Å; N92-A96 PolarHBondContact O-N 2.97Å; N92-N107 VanDerWaalsContact OD1-CA 3.26Å; N92-N107 WeakPolarHBondContact OD1-CA 3.44Å; N92-N107 PolarHBondContact OD1-N 2.87Å; N92-C108 HydrophobicContact CB-CB 3.96Å; N92-C108 PolarHBondContact OD1-N 3.05Å
93	N	97.1	Very high	96.9	Very high	96 Å²	96	56.4 Å²	56.4	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-43.4	-176.8	-68.4	-11.4	0	0	0	111.5	L89 G90 L91 A96 I97	L89-N93 VanDerWaalsContact O-CG 3.29Å; L89-N93 PolarHBondContact O-N 2.99Å; L89-N93 VanDerWaalsContact O-N 3.1Å; G90-N93 PolarHBondContact O-N 3.19Å; L91-N93 PolarHBondContact O-N 3.34Å; N93-A96 PolarHBondContact O-N 3.18Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å; N93-I97 PolarHBondContact O-N 3.3Å
94	T	97.8	Very high	97	Very high	70 Å²	70	53.3 Å²	53.3	43%	0.429	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-51.6	175.4	-60.8	0	0	0	0	111	G90 L91 A96 I97 E98	G90-T94 PolarHBondContact O-N 3.46Å; G90-T94 PolarHBondContact O-OG1 3.14Å; L91-T94 PolarHBondContact O-N 2.89Å; T94-A96 VanDerWaalsContact C-N 3.33Å; T94-A96 PolarHBondContact O-N 3.23Å; T94-I97 PolarHBondContact O-N 2.7Å; T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 WeakPolarHBondContact CG2-OE1 3.36Å; T94-E98 WeakPolarHBondContact O-CG 3.44Å; T94-E98 PolarHBondContact O-N 3.1Å
95	L	97.8	Very high	97.2	Very high	18 Å²	18	60.6 Å²	60.6	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-37.1	-179.5	-70.5	173.7	0	0	0	112.4	T48 I65 L91 N92 I97 E98 L99 V106	T48-L95 HydrophobicContact CG2-CD1 4.12Å; T48-L95 HydrophobicContact CG2-CD2 4.16Å; I65-L95 HydrophobicContact CD1-CD1 4.22Å; L91-L95 HydrophobicContact CD1-CD1 3.74Å; L91-L95 HydrophobicContact CD1-CG 3.94Å; L91-L95 HydrophobicContact CD2-CD1 4.43Å; L91-L95 HydrophobicContact CG-CD1 3.77Å; L91-L95 HydrophobicContact CG-CG 4.34Å; L91-L95 WeakPolarHBondContact O-CB 3.43Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 3.34Å; N92-L95 PolarHBondContact O-N 2.96Å; L95-I97 VanDerWaalsContact C-N 3.32Å; L95-I97 PolarHBondContact O-N 3.34Å; L95-E98 PolarHBondContact O-N 3.27Å; L95-L99 HydrophobicContact CB-CD1 4.39Å; L95-L99 HydrophobicContact CD2-CD1 4.36Å; L95-L99 WeakPolarHBondContact O-CB 3.29Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 3.25Å; L95-V106 HydrophobicContact CB-CB 4.43Å; L95-V106 HydrophobicContact CB-CG1 4.1Å; L95-V106 HydrophobicContact CB-CG2 4.04Å
96	A	97.8	Very high	97.3	Very high	29 Å²	29	60.7 Å²	60.7	24%	0.24	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-42.4	177.1	0	0	0	0	0	111.6	N92 N93 T94 A100 V106	N92-A96 VanDerWaalsContact O-CB 3.26Å; N92-A96 WeakPolarHBondContact O-CB 3.09Å; N92-A96 PolarHBondContact O-N 2.97Å; N93-A96 PolarHBondContact O-N 3.18Å; T94-A96 VanDerWaalsContact C-N 3.33Å; T94-A96 PolarHBondContact O-N 3.23Å; A96-A100 VanDerWaalsContact O-CB 3.29Å; A96-A100 WeakPolarHBondContact O-CB 3.4Å; A96-A100 PolarHBondContact O-N 3.06Å; A96-V106 HydrophobicContact CB-CB 4.09Å
97	I	98	Very high	97.4	Very high	132 Å²	132	61.2 Å²	61.2	68%	0.677	34%	0.338	S	S	*	.	H	α-helix	trans	-69.1	-48.4	178.2	-66.4	166.3	0	0	0	110.5	N93 T94 L95 L99	N93-I97 WeakPolarHBondContact O-CG1 3.28Å; N93-I97 PolarHBondContact O-N 3.3Å; T94-I97 PolarHBondContact O-N 2.7Å; L95-I97 VanDerWaalsContact C-N 3.32Å; L95-I97 PolarHBondContact O-N 3.34Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 2.86Å
98	E	98	Very high	97.3	Very high	118 Å²	118	60.3 Å²	60.3	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-68.2	-31.4	-175.5	-71.7	-178.9	177.7	0	0	113.6	T94 L95	T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 WeakPolarHBondContact CG2-OE1 3.36Å; T94-E98 WeakPolarHBondContact O-CG 3.44Å; T94-E98 PolarHBondContact O-N 3.1Å; L95-E98 PolarHBondContact O-N 3.27Å
99	L	97.9	Very high	97.1	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.052	35%	0.352	C	S	.	.	H	α-helix	trans	-98	-10.9	-175.1	-58.8	-178.6	0	0	0	113.7	T48 V52 L95 I97 R102 I104 V106	T48-L99 HydrophobicContact CG2-CD1 3.69Å; V52-L99 HydrophobicContact CG1-CD2 4.21Å; V52-L99 HydrophobicContact CG2-CD1 3.8Å; V52-L99 HydrophobicContact CG2-CD2 3.76Å; V52-L99 HydrophobicContact CG2-CG 4.46Å; L95-L99 HydrophobicContact CB-CD1 4.39Å; L95-L99 HydrophobicContact CD2-CD1 4.36Å; L95-L99 WeakPolarHBondContact O-CB 3.29Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 3.25Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 2.86Å; L99-R102 WeakPolarHBondContact O-CB 3.47Å; L99-R102 PolarHBondContact O-N 2.88Å; L99-I104 CarbonylContact C-O 3.54Å; L99-I104 HydrophobicContact CB-CB 4.01Å; L99-I104 HydrophobicContact CB-CG2 4.17Å; L99-I104 HydrophobicContact CD1-CG2 4.11Å; L99-I104 PolarHBondContact O-N 2.57Å; L99-V106 HydrophobicContact CB-CG2 4.47Å; L99-V106 HydrophobicContact CD1-CG2 3.95Å
100	A	97.9	Very high	96.8	Very high	60 Å²	60	66.8 Å²	66.8	50%	0.496	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-55.2	-44.7	176.7	0	0	0	0	0	113.7	A96 R102 N103	A96-A100 VanDerWaalsContact O-CB 3.29Å; A96-A100 WeakPolarHBondContact O-CB 3.4Å; A96-A100 PolarHBondContact O-N 3.06Å; A100-R102 PolarHBondContact O-N 3.19Å; A100-R102 VanDerWaalsContact O-N 3.09Å; A100-N103 PolarHBondContact O-N 2.92Å
101	P	98	Very high	96	Very high	117 Å²	117	68.4 Å²	68.4	76%	0.76	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62	-19.7	177.3	-23.5	35.1	0	0	0	114	N103	P101-N103 VanDerWaalsContact C-N 3.3Å
102	R	97.4	Very high	95.1	Very high	120 Å²	120	70.1 Å²	70.1	45%	0.453	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-92	9.8	179.8	-55.7	165.2	-174.2	-123	8.4	112.4	E56 L99 A100 I104	E56-R102 HydrophobicContact CG-CB 4.29Å; E56-R102 WeakPolarHBondContact OE1-CD 3.42Å; E56-R102 WeakPolarHBondContact OE1-CG 3.49Å; E56-R102 IonicContact OE1-CZ 3.53Å; E56-R102 IonicContact OE1-NE 3.62Å; E56-R102 IonicContact OE1-NH1 2.75Å; E56-R102 PolarHBondContact OE1-NH1 2.94Å; E56-R102 IonicContact OE2-NH1 3.85Å; L99-R102 WeakPolarHBondContact O-CB 3.47Å; L99-R102 PolarHBondContact O-N 2.88Å; A100-R102 PolarHBondContact O-N 3.19Å; A100-R102 VanDerWaalsContact O-N 3.09Å; R102-I104 HydrophobicContact CB-CD1 4.11Å; R102-I104 HydrophobicContact CB-CG1 4.41Å; R102-I104 PolarHBondContact O-N 2.97Å
103	N	97.7	Very high	93.4	Very high	113 Å²	113	75 Å²	75	60%	0.604	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	33.9	-174.1	-164	35.1	0	0	0	113.4	G59 G60 G61 A100 P101	G59-N103 PolarHBondContact O-ND2 3.33Å; G60-N103 WeakPolarHBondContact CA-O 3.17Å; G61-N103 PolarHBondContact N-O 3.22Å; G61-N103 VanDerWaalsContact N-O 3.1Å; A100-N103 PolarHBondContact O-N 2.92Å; P101-N103 VanDerWaalsContact C-N 3.3Å
104	I	98.4	Very high	91.4	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122	177.4	-63.9	164.4	0	0	0	108.9	V52 M55 E56 G61 V63 L99 R102	V52-I104 HydrophobicContact CB-CD1 4.38Å; V52-I104 HydrophobicContact CG1-CD1 4.05Å; V52-I104 HydrophobicContact CG2-CD1 4.13Å; M55-I104 HydrophobicContact CB-CD1 3.75Å; M55-I104 HydrophobicContact CB-CG1 4.03Å; M55-I104 HydrophobicContact SD-CD1 4.33Å; M55-I104 HydrophobicContact SD-CG1 4.39Å; M55-I104 HydrophobicContact SD-CG2 4.05Å; E56-I104 HydrophobicContact CG-CD1 4.3Å; G61-I104 WeakPolarHBondContact O-CA 3.26Å; V63-I104 HydrophobicContact CG2-CG2 4.2Å; L99-I104 CarbonylContact C-O 3.54Å; L99-I104 HydrophobicContact CB-CB 4.01Å; L99-I104 HydrophobicContact CB-CG2 4.17Å; L99-I104 HydrophobicContact CD1-CG2 4.11Å; L99-I104 PolarHBondContact O-N 2.57Å; R102-I104 HydrophobicContact CB-CD1 4.11Å; R102-I104 HydrophobicContact CB-CG1 4.41Å; R102-I104 PolarHBondContact O-N 2.97Å
105	R	98.2	Very high	89.2	Confident	152 Å²	152	79.9 Å²	79.9	57%	0.574	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.7	178.7	-61.2	177.1	-62.5	107.7	7.8	110	G61 S62 V63	G61-R105 PolarHBondContact O-N 3.44Å; S62-R105 CarbonylContact C-O 3.57Å; S62-R105 WeakPolarHBondContact CA-O 3.27Å; S62-R105 PolarHBondContact OG-NH2 3.12Å; V63-R105 PolarHBondContact N-O 3.22Å
106	V	98.1	Very high	87	Confident	8 Å²	8	83.4 Å²	83.4	5%	0.048	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.3	175.8	-169.5	0	0	0	0	108.8	V63 I65 L95 A96 L99	V63-V106 HydrophobicContact CB-CB 4.43Å; V63-V106 HydrophobicContact CB-CG1 4.08Å; V63-V106 HydrophobicContact CB-CG2 4.13Å; V63-V106 HydrophobicContact CG1-CG1 4.17Å; V63-V106 HydrophobicContact CG2-CG2 4.47Å; V63-V106 WeakPolarHBondContact O-CA 3.27Å; I65-V106 HydrophobicContact CD1-CG1 4.27Å; L95-V106 HydrophobicContact CB-CB 4.43Å; L95-V106 HydrophobicContact CB-CG1 4.1Å; L95-V106 HydrophobicContact CB-CG2 4.04Å; A96-V106 HydrophobicContact CB-CB 4.09Å; L99-V106 HydrophobicContact CB-CG2 4.47Å; L99-V106 HydrophobicContact CD1-CG2 3.95Å
107	N	96.8	Very high	84.6	Confident	80 Å²	80	86.5 Å²	86.5	43%	0.428	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.5	179	-67.9	-89.1	0	0	0	111.1	V63 V64 I65 N92	V63-N107 PolarHBondContact O-N 3.43Å; V64-N107 CarbonylContact C-O 3.58Å; V64-N107 WeakPolarHBondContact CA-O 3.18Å; I65-N107 PolarHBondContact N-O 2.92Å; N92-N107 VanDerWaalsContact OD1-CA 3.26Å; N92-N107 WeakPolarHBondContact OD1-CA 3.44Å; N92-N107 PolarHBondContact OD1-N 2.87Å
108	C	94.1	Very high	82	Confident	21 Å²	21	84.7 Å²	84.7	14%	0.142	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.6	177.1	-167.9	0	0	0	0	110.2	I65 S67 N92 H110	I65-C108 CarbonylContact O-C 3.5Å; I65-C108 WeakPolarHBondContact O-CA 3.47Å; S67-C108 WeakPolarHBondContact CB-SG 3.06Å; N92-C108 HydrophobicContact CB-CB 3.96Å; N92-C108 PolarHBondContact OD1-N 3.05Å; C108-H110 PolarHBondContact SG-NE2 3.14Å; C108-H110 VanDerWaalsContact SG-NE2 3.38Å
109	L	92.4	Very high	79.5	Confident	93 Å²	93	81.9 Å²	81.9	49%	0.487	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.3	172.7	-63.3	-179.4	0	0	0	109.7	V64 I65 S67 L111	V64-L109 HydrophobicContact CG1-CD1 3.51Å; V64-L109 HydrophobicContact CG1-CG 3.7Å; I65-L109 PolarHBondContact O-N 2.94Å; S67-L109 CarbonylContact C-O 3.58Å; S67-L109 WeakPolarHBondContact CA-O 3.43Å; S67-L109 PolarHBondContact N-O 3.15Å; L109-L111 HydrophobicContact CB-CD1 4.49Å
110	H	88	Confident	76.7	Confident	78 Å²	78	84 Å²	84	36%	0.361	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.1	179	-51.1	96.2	0	0	0	108.6	F72 L89 C108	F72-H110 HydrophobicContact CE2-CB 4.32Å; F72-H110 AromaticContact CE2-CD2 3.37Å; F72-H110 WeakPolarHBondContact CE2-CD2 3.41Å; F72-H110 AromaticContact CE2-CE1 3.98Å; F72-H110 AromaticContact CE2-CG 3.63Å; F72-H110 AromaticContact CE2-ND1 4Å; F72-H110 AromaticContact CE2-NE2 3.63Å; F72-H110 AromaticContact CZ-CD2 3.95Å; F72-H110 AromaticContact CZ-CE1 3.96Å; F72-H110 AromaticContact CZ-NE2 3.69Å; L89-H110 WeakPolarHBondContact CD2-NE2 3.37Å; C108-H110 PolarHBondContact SG-NE2 3.14Å; C108-H110 VanDerWaalsContact SG-NE2 3.38Å
111	L	80.4	Confident	73.7	Confident	74 Å²	74	87.1 Å²	87.1	39%	0.387	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.3	175.1	-84.4	71.7	0	0	0	110.1	V66 S67 I69 L109 L116	V66-L111 HydrophobicContact CG1-CD1 3.55Å; S67-L111 PolarHBondContact O-N 3.46Å; I69-L111 PolarHBondContact N-O 3.45Å; L109-L111 HydrophobicContact CB-CD1 4.49Å; L111-L116 HydrophobicContact CD2-CD1 4.12Å
112	D	78	Confident	70.9	Confident	65 Å²	65	86.9 Å²	86.9	35%	0.348	49%	0.491	S	S	.	.			trans	-100	122	166.7	-179.7	6.5	0	0	0	109.2	I69 S114 R115	I69-D112 HydrophobicContact CB-CB 4.45Å; D112-S114 PolarHBondContact O-N 3.41Å; D112-S114 WeakPolarHBondContact OD1-CB 3.26Å; D112-S114 PolarHBondContact OD1-N 2.85Å; D112-S114 PolarHBondContact OD1-OG 3.4Å; D112-S114 PolarHBondContact OD2-OG 3.29Å; D112-R115 PolarHBondContact O-N 3.04Å
113	L	61.3	Low	68	Low	120 Å²	120	84.2 Å²	84.2	63%	0.628	50%	0.5	S	S	*	.	H	α-helix	trans	-65.4	-23.5	178	-77.3	166.7	0	0	0	112.5	R115 L116 A117	L113-R115 PolarHBondContact O-N 2.81Å; L113-R115 VanDerWaalsContact O-N 3.13Å; L113-L116 HydrophobicContact CD2-CD1 4.09Å; L113-L116 PolarHBondContact O-N 3.14Å; L113-A117 PolarHBondContact O-N 3.33Å; L113-A117 VanDerWaalsContact O-N 3.07Å
114	S	55.7	Low	64.7	Low	71 Å²	71	90.5 Å²	90.5	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-57.2	-31.1	179	80.7	0	0	0	0	112.4	D112 S118	D112-S114 PolarHBondContact O-N 3.41Å; D112-S114 WeakPolarHBondContact OD1-CB 3.26Å; D112-S114 PolarHBondContact OD1-N 2.85Å; D112-S114 PolarHBondContact OD1-OG 3.4Å; D112-S114 PolarHBondContact OD2-OG 3.29Å; S114-S118 PolarHBondContact O-OG 2.89Å
115	R	51.9	Low	61.9	Low	196 Å²	196	96.2 Å²	96.2	74%	0.74	55%	0.551	S	S	*	*	H	α-helix	trans	-91	-18.5	178.8	-69.1	-174.8	178.8	-119.4	1.7	113.9	D112 L113 S118 A119	D112-R115 PolarHBondContact O-N 3.04Å; L113-R115 PolarHBondContact O-N 2.81Å; L113-R115 VanDerWaalsContact O-N 3.13Å; R115-S118 WeakPolarHBondContact CA-OG 3.38Å; R115-S118 PolarHBondContact O-OG 3.36Å; R115-A119 WeakPolarHBondContact O-CB 3.25Å; R115-A119 PolarHBondContact O-N 3.34Å
116	L	51.3	Low	59	Low	93 Å²	93	100.5 Å²	100.5	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-82.1	-34	175.1	-73.5	174	0	0	0	112.1	L111 L113 S118 A119	L111-L116 HydrophobicContact CD2-CD1 4.12Å; L113-L116 HydrophobicContact CD2-CD1 4.09Å; L113-L116 PolarHBondContact O-N 3.14Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 3.48Å; L116-A119 PolarHBondContact O-N 3.27Å
117	A	47.6	Very low	56.1	Low	93 Å²	93	109.7 Å²	109.7	77%	0.769	61%	0.607	S	S	*	*	H	α-helix	trans	-67.4	-30.4	174.8	0	0	0	0	0	112.6	L113	L113-A117 PolarHBondContact O-N 3.33Å; L113-A117 VanDerWaalsContact O-N 3.07Å
118	S	42.6	Very low	53.4	Low	95 Å²	95	115.1 Å²	115.1	66%	0.664	63%	0.626	S	S	*	*	H	α-helix	trans	-85	-23.7	175.9	47.9	0	0	0	0	113.3	S114 R115 L116 G120	S114-S118 PolarHBondContact O-OG 2.89Å; R115-S118 WeakPolarHBondContact CA-OG 3.38Å; R115-S118 PolarHBondContact O-OG 3.36Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 3.48Å; S118-G120 PolarHBondContact O-N 3.39Å
119	A	46.8	Very low	50.8	Low	59 Å²	59	125.8 Å²	125.8	49%	0.488	66%	0.664	S	S	.	*	S	Bend	trans	-81.1	73.1	168.7	0	0	0	0	0	109.7	R115 L116 C121	R115-A119 WeakPolarHBondContact O-CB 3.25Å; R115-A119 PolarHBondContact O-N 3.34Å; L116-A119 PolarHBondContact O-N 3.27Å; A119-C121 PolarHBondContact O-N 3.49Å
120	G	37.4	Very low	48.2	Very low	55 Å²	55	130.9 Å²	130.9	57%	0.567	68%	0.682	S	S	*	*			trans	-45.5	113.9	165.9	0	0	0	0	0	109.2	S118 S122	S118-G120 PolarHBondContact O-N 3.39Å; G120-S122 PolarHBondContact O-N 3.43Å
121	C	35.2	Very low	46.2	Very low	125 Å²	125	135.5 Å²	135.5	85%	0.845	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	44.7	-177	-149.8	0	0	0	0	110.7	A119	A119-C121 PolarHBondContact O-N 3.49Å
122	S	40.3	Very low	44.5	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-10.3	176.3	56.4	0	0	0	0	112.5	G120	G120-S122 PolarHBondContact O-N 3.43Å
123	G	35.4	Very low	42.7	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	77%	0.772	S	S	*	*	S	Bend	trans	-96.1	-6.1	-174.7	0	0	0	0	0	116.5	T125	G123-T125 VanDerWaalsContact C-N 3.35Å; G123-T125 PolarHBondContact O-N 3.09Å
124	W	29.2	Very low	41.7	Very low	246 Å²	246	143.7 Å²	143.7	93%	0.932	78%	0.78	S	S	*	*			trans	-93.9	33.6	-173	-111.3	62.5	0	0	0	114.1	R126	W124-R126 PolarHBondContact O-N 3.34Å
125	T	39.3	Very low	40.9	Very low	122 Å²	122	148 Å²	148	75%	0.748	80%	0.797	S	S	*	*	S	Bend	trans	-84.4	110.7	160.8	51.7	0	0	0	0	109	G123 K127	G123-T125 VanDerWaalsContact C-N 3.35Å; G123-T125 PolarHBondContact O-N 3.09Å; T125-K127 PolarHBondContact O-N 3.24Å
126	R	37.6	Very low	40.2	Very low	241 Å²	241	145 Å²	145	91%	0.909	80%	0.8	S	S	*	*			trans	-43.2	101.3	171.3	-160.2	178.2	-168.1	-173.5	3.3	109.8	W124 K128	W124-R126 PolarHBondContact O-N 3.34Å; R126-K128 PolarHBondContact O-N 3.27Å
127	K	37.3	Very low	39.5	Very low	202 Å²	202	148.5 Å²	148.5	88%	0.878	82%	0.821	S	S	*	*			trans	-58.1	107.5	165.6	-88.7	-177	178.5	176.9	0	106.2	T125 R129	T125-K127 PolarHBondContact O-N 3.24Å; K127-R129 PolarHBondContact O-N 3.4Å
128	K	39.3	Very low	38.9	Very low	193 Å²	193	152.4 Å²	152.4	84%	0.839	83%	0.825	S	S	*	*			trans	-55	110.1	168.4	-73.9	-173.9	177.5	-178.6	0	106.5	R126 K130	R126-K128 PolarHBondContact O-N 3.27Å; K128-K130 PolarHBondContact O-N 3.33Å; K128-K130 VanDerWaalsContact O-N 3.07Å
129	R	40.7	Very low	38.6	Very low	246 Å²	246	156.8 Å²	156.8	93%	0.928	84%	0.837	S	S	*	*			trans	-59	110.5	161.1	-87.8	179.9	167.5	173.8	-4.5	105.7	K127	K127-R129 PolarHBondContact O-N 3.4Å
130	K	37.4	Very low	37.9	Very low	200 Å²	200	165 Å²	165	87%	0.87	87%	0.867	S	S	*	*			trans	-70.8	133.4	165.2	-77.1	-174.7	173.8	-176.2	0	107.1	K128	K128-K130 PolarHBondContact O-N 3.33Å; K128-K130 VanDerWaalsContact O-N 3.07Å
131	A	45.7	Very low	38	Very low	175 Å²	175	175 Å²	175	100%	1.446	89%	0.894	S	S	*	*			trans	-64.7	0	163.4	0	0	0	0	0	110

Retrieved 131 of 131 residues in 67.1 ms (Link to these results)

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