A0A087WUE0_HUMAN Loading...

Dehydrogenase/reductase 12

AlphaFold DB , UniProt , Accession A0A087WUE0, Species HUMAN (Homo sapiens, Human), Gene DHRS12, Length 100 aa.

						>A0A087WUE0_HUMAN|A0A087WUE0|DHRS12
RELTEDGLEKNFAANTLGVYILTTGLIPVLEKEHDPRVITVSSGGMLVQKLNTNDLQSERTPFDGTMVYAQNKGAHIVCKAASTLRLPCRCCVPSEGGPV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	54.2	Low	60.6	Low	119 Å²	119	88 Å²	88	45%	0.449	44%	0.442	S	S	.	.				0	111.6	0	-171.7	175.1	-177.6	-166.8	-6.1	107.4	L3 E9 F63	R1-L3 HydrophobicContact CG-CD2 4.03Å; R1-L3 HydrophobicContact CG-CG 4.36Å; R1-E9 HydrophobicContact CG-CG 4.46Å; R1-F63 HydrophobicContact CB-CD2 3.92Å; R1-F63 HydrophobicContact CB-CE2 3.67Å; R1-F63 HydrophobicContact CB-CZ 4.22Å; R1-F63 HydrophobicContact CG-CD2 4.27Å; R1-F63 HydrophobicContact CG-CE2 3.94Å
2	E	55.2	Low	60.8	Low	124 Å²	124	83.2 Å²	83.2	58%	0.579	42%	0.416	S	S	*	.			trans	-95.1	124.8	172	-69.6	-170.5	-172.3	0	0	108.8	K10	E2-K10 HydrophobicContact CB-CD 3.76Å; E2-K10 HydrophobicContact CB-CG 4.18Å; E2-K10 PolarHBondContact O-N 2.72Å; E2-K10 VanDerWaalsContact O-N 3.08Å; E2-K10 WeakPolarHBondContact OE2-CD 3.27Å; E2-K10 WeakPolarHBondContact OE2-CE 3.49Å; E2-K10 IonicContact OE2-NZ 2.71Å; E2-K10 PolarHBondContact OE2-NZ 3.12Å
3	L	59.2	Low	61.1	Low	84 Å²	84	78.4 Å²	78.4	44%	0.44	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-105.2	148.5	179.1	-62.1	173.3	0	0	0	109.4	R1 L8 E9	R1-L3 HydrophobicContact CG-CD2 4.03Å; R1-L3 HydrophobicContact CG-CG 4.36Å; L3-L8 CarbonylContact C-O 3.49Å; L3-L8 VanDerWaalsContact CA-O 3.29Å; L3-L8 WeakPolarHBondContact CA-O 3.13Å; L3-E9 HydrophobicContact CD2-CB 4.44Å
4	T	60.1	Low	61.5	Low	38 Å²	38	77.5 Å²	77.5	23%	0.233	41%	0.408	C	S	.	.			trans	-77.3	167.5	165.1	61.2	0	0	0	0	110	D6 G7 L8 K10 A13	T4-D6 PolarHBondContact O-N 2.9Å; T4-D6 VanDerWaalsContact O-N 3.12Å; T4-G7 PolarHBondContact O-N 2.86Å; T4-L8 PolarHBondContact N-O 3.36Å; T4-L8 PolarHBondContact OG1-N 3.1Å; T4-L8 PolarHBondContact OG1-O 3.31Å; T4-K10 HydrophobicContact CG2-CG 3.83Å; T4-A13 HydrophobicContact CG2-CB 4.03Å
5	E	67.1	Low	61.6	Low	208 Å²	208	76.6 Å²	76.6	97%	0.972	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.3	175.9	-67.4	-179.9	146.4	0	0	112.5	G7	E5-G7 VanDerWaalsContact C-N 3.25Å; E5-G7 PolarHBondContact O-N 3.01Å
6	D	57.5	Low	61.8	Low	135 Å²	135	72.6 Å²	72.6	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	6.3	175.6	-52.1	-60.3	0	0	0	114.3	T4 L8	T4-D6 PolarHBondContact O-N 2.9Å; T4-D6 VanDerWaalsContact O-N 3.12Å; D6-L8 HydrophobicContact CB-CD1 4.47Å; D6-L8 HydrophobicContact CB-CG 4.26Å; D6-L8 PolarHBondContact O-N 3.25Å
7	G	63.2	Low	62.1	Low	37 Å²	37	72.1 Å²	72.1	38%	0.381	38%	0.38	S	S	.	.	S	Bend	trans	71.6	12.9	-178.5	0	0	0	0	0	114.3	T4 E5	T4-G7 PolarHBondContact O-N 2.86Å; E5-G7 VanDerWaalsContact C-N 3.25Å; E5-G7 PolarHBondContact O-N 3.01Å
8	L	58.8	Low	62.5	Low	37 Å²	37	69.9 Å²	69.9	19%	0.194	38%	0.379	C	S	.	.			trans	-89.7	144.2	176.9	-56.7	178.4	0	0	0	110.2	L3 T4 D6 K10 A13 L17	L3-L8 CarbonylContact C-O 3.49Å; L3-L8 VanDerWaalsContact CA-O 3.29Å; L3-L8 WeakPolarHBondContact CA-O 3.13Å; T4-L8 PolarHBondContact N-O 3.36Å; T4-L8 PolarHBondContact OG1-N 3.1Å; T4-L8 PolarHBondContact OG1-O 3.31Å; D6-L8 HydrophobicContact CB-CD1 4.47Å; D6-L8 HydrophobicContact CB-CG 4.26Å; D6-L8 PolarHBondContact O-N 3.25Å; L8-K10 PolarHBondContact O-N 3.47Å; L8-A13 HydrophobicContact CB-CB 4.04Å; L8-A13 HydrophobicContact CD1-CB 4.3Å; L8-L17 HydrophobicContact CD1-CD2 3.81Å
9	E	66.9	Low	63	Low	11 Å²	11	68.5 Å²	68.5	5%	0.051	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-64	132	171.2	-167.3	-75.9	135.5	0	0	109.5	R1 L3 N11 F12 A13	R1-E9 HydrophobicContact CG-CG 4.46Å; L3-E9 HydrophobicContact CD2-CB 4.44Å; E9-N11 VanDerWaalsContact C-N 3.28Å; E9-N11 PolarHBondContact O-N 3.1Å; E9-N11 WeakPolarHBondContact OE1-CB 3.3Å; E9-N11 PolarHBondContact OE1-N 2.99Å; E9-N11 PolarHBondContact OE1-ND2 2.62Å; E9-N11 VanDerWaalsContact OE2-CA 3.28Å; E9-N11 WeakPolarHBondContact OE2-CA 3.18Å; E9-N11 WeakPolarHBondContact OE2-CB 3.29Å; E9-N11 PolarHBondContact OE2-N 3.21Å; E9-F12 HydrophobicContact CB-CB 4.23Å; E9-F12 WeakPolarHBondContact O-CA 3.32Å; E9-F12 WeakPolarHBondContact O-CB 3.47Å; E9-F12 PolarHBondContact O-N 3.21Å; E9-F12 PolarHBondContact OE2-N 3.33Å; E9-A13 PolarHBondContact O-N 3.35Å
10	K	64.6	Low	63.3	Low	95 Å²	95	70.3 Å²	70.3	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-56.9	-39.3	-171.6	-80.9	-172.1	-175	173.4	0	113.1	E2 T4 L8 A14	E2-K10 HydrophobicContact CB-CD 3.76Å; E2-K10 HydrophobicContact CB-CG 4.18Å; E2-K10 PolarHBondContact O-N 2.72Å; E2-K10 VanDerWaalsContact O-N 3.08Å; E2-K10 WeakPolarHBondContact OE2-CD 3.27Å; E2-K10 WeakPolarHBondContact OE2-CE 3.49Å; E2-K10 IonicContact OE2-NZ 2.71Å; E2-K10 PolarHBondContact OE2-NZ 3.12Å; T4-K10 HydrophobicContact CG2-CG 3.83Å; L8-K10 PolarHBondContact O-N 3.47Å; K10-A14 VanDerWaalsContact O-CB 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.45Å; K10-A14 PolarHBondContact O-N 3.3Å
11	N	60.3	Low	64	Low	80 Å²	80	71.8 Å²	71.8	43%	0.428	38%	0.381	S	S	.	.	H	α-helix	trans	-69.7	-36.5	177.5	-65	-86.8	0	0	0	111.7	E9 N15 N72	E9-N11 VanDerWaalsContact C-N 3.28Å; E9-N11 PolarHBondContact O-N 3.1Å; E9-N11 WeakPolarHBondContact OE1-CB 3.3Å; E9-N11 PolarHBondContact OE1-N 2.99Å; E9-N11 PolarHBondContact OE1-ND2 2.62Å; E9-N11 VanDerWaalsContact OE2-CA 3.28Å; E9-N11 WeakPolarHBondContact OE2-CA 3.18Å; E9-N11 WeakPolarHBondContact OE2-CB 3.29Å; E9-N11 PolarHBondContact OE2-N 3.21Å; N11-N15 WeakPolarHBondContact O-CB 3.46Å; N11-N15 PolarHBondContact O-N 3.16Å; N11-N15 PolarHBondContact O-ND2 3.48Å; N11-N15 VanDerWaalsContact O-ND2 3.07Å; N11-N72 WeakPolarHBondContact CB-ND2 3.5Å; N11-N72 PolarHBondContact O-ND2 2.94Å
12	F	63.2	Low	65.1	Low	30 Å²	30	71.4 Å²	71.4	13%	0.132	39%	0.387	C	S	.	.	I	π-helix	trans	-65.3	-47.4	174.3	179.9	-100	0	0	0	112	E9 T16 L17 L56 N72	E9-F12 HydrophobicContact CB-CB 4.23Å; E9-F12 WeakPolarHBondContact O-CA 3.32Å; E9-F12 WeakPolarHBondContact O-CB 3.47Å; E9-F12 PolarHBondContact O-N 3.21Å; E9-F12 PolarHBondContact OE2-N 3.33Å; F12-T16 HydrophobicContact CD2-CG2 4.31Å; F12-T16 HydrophobicContact CE2-CG2 3.85Å; F12-T16 HydrophobicContact CZ-CG2 4.43Å; F12-T16 WeakPolarHBondContact O-CA 3.45Å; F12-T16 WeakPolarHBondContact O-CB 3.4Å; F12-T16 PolarHBondContact O-N 2.89Å; F12-L17 PolarHBondContact O-N 3.11Å; F12-L17 VanDerWaalsContact O-N 3.08Å; F12-L56 HydrophobicContact CE2-CD2 3.71Å; F12-L56 HydrophobicContact CE2-CG 4.3Å; F12-L56 HydrophobicContact CZ-CD2 3.75Å; F12-N72 WeakPolarHBondContact CA-OD1 3.47Å
13	A	64.6	Low	66	Low	21 Å²	21	66.1 Å²	66.1	17%	0.174	36%	0.364	C	S	.	.	I	π-helix	trans	-62	-48.6	178.7	0	0	0	0	0	111.8	T4 L8 E9 L17 G18	T4-A13 HydrophobicContact CG2-CB 4.03Å; L8-A13 HydrophobicContact CB-CB 4.04Å; L8-A13 HydrophobicContact CD1-CB 4.3Å; E9-A13 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CB 3.45Å; A13-G18 PolarHBondContact O-N 3.44Å
14	A	65.7	Low	66.8	Low	66 Å²	66	64.4 Å²	64.4	55%	0.545	36%	0.357	S	S	.	.	I	π-helix	trans	-74.6	-49.3	-177.1	0	0	0	0	0	112.6	K10	K10-A14 VanDerWaalsContact O-CB 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.45Å; K10-A14 PolarHBondContact O-N 3.3Å
15	N	64.1	Low	67.8	Low	64 Å²	64	65.1 Å²	65.1	34%	0.342	37%	0.371	S	S	.	.	I	π-helix	trans	-84.9	-36.5	-170.2	-59.5	-54.7	0	0	0	112.4	N11 V19 N72 H76	N11-N15 WeakPolarHBondContact O-CB 3.46Å; N11-N15 PolarHBondContact O-N 3.16Å; N11-N15 PolarHBondContact O-ND2 3.48Å; N11-N15 VanDerWaalsContact O-ND2 3.07Å; N15-V19 WeakPolarHBondContact O-CG2 3.38Å; N15-N72 PolarHBondContact ND2-ND2 3.48Å; N15-H76 VanDerWaalsContact C-NE2 3.25Å; N15-H76 WeakPolarHBondContact CB-NE2 3.29Å; N15-H76 PolarHBondContact O-CD2 3.2Å; N15-H76 PolarHBondContact O-NE2 3.08Å
16	T	64.5	Low	68.4	Low	13 Å²	13	59.1 Å²	59.1	8%	0.08	35%	0.345	C	S	.	.	I	π-helix	trans	-97.6	-56.8	-174.6	-64.3	0	0	0	0	111.3	F12 Y20 N72 A75	F12-T16 HydrophobicContact CD2-CG2 4.31Å; F12-T16 HydrophobicContact CE2-CG2 3.85Å; F12-T16 HydrophobicContact CZ-CG2 4.43Å; F12-T16 WeakPolarHBondContact O-CA 3.45Å; F12-T16 WeakPolarHBondContact O-CB 3.4Å; F12-T16 PolarHBondContact O-N 2.89Å; T16-Y20 PolarHBondContact O-N 3.42Å; T16-Y20 VanDerWaalsContact O-N 3.07Å; T16-N72 PolarHBondContact OG1-OD1 3.38Å; T16-A75 HydrophobicContact CG2-CB 3.68Å
17	L	67.1	Low	69.4	Low	63 Å²	63	53.3 Å²	53.3	33%	0.33	31%	0.314	S	S	.	.	I	π-helix	trans	-69.6	-42.5	-175.8	-173.8	65.5	0	0	0	111.8	L8 F12 A13 V19 Y20 I21	L8-L17 HydrophobicContact CD1-CD2 3.81Å; F12-L17 PolarHBondContact O-N 3.11Å; F12-L17 VanDerWaalsContact O-N 3.08Å; A13-L17 WeakPolarHBondContact O-CB 3.45Å; L17-V19 PolarHBondContact O-N 3.49Å; L17-Y20 PolarHBondContact O-N 3.28Å; L17-I21 HydrophobicContact CD1-CD1 4.15Å; L17-I21 HydrophobicContact CD1-CG1 4.4Å; L17-I21 HydrophobicContact CD2-CD1 4.5Å; L17-I21 HydrophobicContact CG-CD1 3.89Å; L17-I21 HydrophobicContact CG-CG1 4.49Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 2.95Å
18	G	68.4	Low	70.1	Confident	34 Å²	34	54.8 Å²	54.8	35%	0.351	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-45.2	176.2	0	0	0	0	0	112.8	A13 I21 L22	A13-G18 PolarHBondContact O-N 3.44Å; G18-I21 PolarHBondContact O-N 3.49Å; G18-L22 VanDerWaalsContact O-CB 3.23Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.36Å
19	V	71.8	Confident	71.1	Confident	42 Å²	42	57.4 Å²	57.4	26%	0.255	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-38.9	177.5	176.3	0	0	0	0	111.5	N15 L17 T23 T40	N15-V19 WeakPolarHBondContact O-CG2 3.38Å; L17-V19 PolarHBondContact O-N 3.49Å; V19-T23 VanDerWaalsContact O-CB 3.25Å; V19-T23 WeakPolarHBondContact O-CB 3.13Å; V19-T23 PolarHBondContact O-N 2.8Å; V19-T23 PolarHBondContact O-OG1 3.3Å; V19-T40 HydrophobicContact CG1-CG2 4.29Å
20	Y	70	Confident	71.5	Confident	105 Å²	105	58.6 Å²	58.6	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-48.3	176.6	-179.3	-103.6	0	0	0	112.1	T16 L17 T23 T24 C79	T16-Y20 PolarHBondContact O-N 3.42Å; T16-Y20 VanDerWaalsContact O-N 3.07Å; L17-Y20 PolarHBondContact O-N 3.28Å; Y20-T23 PolarHBondContact O-N 3.26Å; Y20-T24 HydrophobicContact CD1-CG2 4.47Å; Y20-T24 HydrophobicContact CD2-CG2 4.29Å; Y20-T24 HydrophobicContact CE1-CG2 4.11Å; Y20-T24 HydrophobicContact CE2-CG2 3.92Å; Y20-T24 WeakPolarHBondContact O-CB 3.4Å; Y20-T24 WeakPolarHBondContact O-CG2 3.25Å; Y20-T24 PolarHBondContact O-N 3.45Å; Y20-T24 PolarHBondContact O-OG1 2.99Å; Y20-C79 VanDerWaalsContact CB-SG 3.59Å
21	I	77.9	Confident	72	Confident	101 Å²	101	59.6 Å²	59.6	52%	0.518	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-45.4	179.3	-66.7	171.9	0	0	0	110.5	L17 G18 T23 T24 G25	L17-I21 HydrophobicContact CD1-CD1 4.15Å; L17-I21 HydrophobicContact CD1-CG1 4.4Å; L17-I21 HydrophobicContact CD2-CD1 4.5Å; L17-I21 HydrophobicContact CG-CD1 3.89Å; L17-I21 HydrophobicContact CG-CG1 4.49Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 2.95Å; G18-I21 PolarHBondContact O-N 3.49Å; I21-T23 VanDerWaalsContact C-N 3.34Å; I21-T23 PolarHBondContact O-N 2.89Å; I21-T24 WeakPolarHBondContact CA-OG1 3.47Å; I21-T24 PolarHBondContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 3.36Å; I21-G25 PolarHBondContact O-N 3.12Å
22	L	77.7	Confident	73	Confident	112 Å²	112	64.1 Å²	64.1	59%	0.586	36%	0.363	S	S	*	.	H	α-helix	trans	-60.5	-45.6	177.9	-175.7	68.2	0	0	0	111.4	G18 G25 L26	G18-L22 VanDerWaalsContact O-CB 3.23Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.36Å; L22-G25 PolarHBondContact O-N 2.82Å; L22-L26 HydrophobicContact CD1-CD1 4.11Å; L22-L26 HydrophobicContact CG-CD1 3.98Å; L22-L26 WeakPolarHBondContact O-CB 3.29Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.45Å; L22-L26 PolarHBondContact O-N 3.32Å; L22-L26 VanDerWaalsContact O-N 3.09Å
23	T	73.5	Confident	73.8	Confident	13 Å²	13	69 Å²	69	8%	0.08	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-47.8	179.9	-55	0	0	0	0	110.4	V19 Y20 I21 G25 L26 I27 V38	V19-T23 VanDerWaalsContact O-CB 3.25Å; V19-T23 WeakPolarHBondContact O-CB 3.13Å; V19-T23 PolarHBondContact O-N 2.8Å; V19-T23 PolarHBondContact O-OG1 3.3Å; Y20-T23 PolarHBondContact O-N 3.26Å; I21-T23 VanDerWaalsContact C-N 3.34Å; I21-T23 PolarHBondContact O-N 2.89Å; T23-G25 VanDerWaalsContact C-N 3.34Å; T23-G25 PolarHBondContact O-N 3.44Å; T23-L26 PolarHBondContact O-N 3.18Å; T23-L26 VanDerWaalsContact O-N 3.12Å; T23-I27 WeakPolarHBondContact O-CG1 3.24Å; T23-I27 PolarHBondContact O-N 2.81Å; T23-I27 VanDerWaalsContact O-N 3.09Å; T23-V38 HydrophobicContact CG2-CG1 4.15Å
24	T	76.6	Confident	74.2	Confident	48 Å²	48	77 Å²	77	29%	0.294	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-35.5	-179.8	50.6	0	0	0	0	113.2	Y20 I21 L26 I27	Y20-T24 HydrophobicContact CD1-CG2 4.47Å; Y20-T24 HydrophobicContact CD2-CG2 4.29Å; Y20-T24 HydrophobicContact CE1-CG2 4.11Å; Y20-T24 HydrophobicContact CE2-CG2 3.92Å; Y20-T24 WeakPolarHBondContact O-CB 3.4Å; Y20-T24 WeakPolarHBondContact O-CG2 3.25Å; Y20-T24 PolarHBondContact O-N 3.45Å; Y20-T24 PolarHBondContact O-OG1 2.99Å; I21-T24 WeakPolarHBondContact CA-OG1 3.47Å; I21-T24 PolarHBondContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 3.36Å; T24-L26 VanDerWaalsContact C-N 3.32Å; T24-I27 HydrophobicContact CG2-CD1 4.29Å
25	G	80.7	Confident	74.6	Confident	52 Å²	52	78.4 Å²	78.4	54%	0.536	42%	0.418	S	S	.	.	H	α-helix	trans	-68.5	-28.4	173.3	0	0	0	0	0	113.8	I21 L22 T23 P28	I21-G25 PolarHBondContact O-N 3.12Å; L22-G25 PolarHBondContact O-N 2.82Å; T23-G25 VanDerWaalsContact C-N 3.34Å; T23-G25 PolarHBondContact O-N 3.44Å; G25-P28 WeakPolarHBondContact O-CD 3.49Å; G25-P28 WeakPolarHBondContact O-CG 3.41Å
26	L	78.6	Confident	74.9	Confident	82 Å²	82	76.4 Å²	76.4	43%	0.429	41%	0.409	S	S	.	.	H	α-helix	trans	-86.8	-17.2	178.7	-72	168.6	0	0	0	113.8	L22 T23 T24 V29 L30	L22-L26 HydrophobicContact CD1-CD1 4.11Å; L22-L26 HydrophobicContact CG-CD1 3.98Å; L22-L26 WeakPolarHBondContact O-CB 3.29Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.45Å; L22-L26 PolarHBondContact O-N 3.32Å; L22-L26 VanDerWaalsContact O-N 3.09Å; T23-L26 PolarHBondContact O-N 3.18Å; T23-L26 VanDerWaalsContact O-N 3.12Å; T24-L26 VanDerWaalsContact C-N 3.32Å; L26-V29 PolarHBondContact O-N 2.96Å; L26-V29 VanDerWaalsContact O-N 3.11Å; L26-L30 HydrophobicContact CB-CD1 4.11Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.37Å; L26-L30 PolarHBondContact O-N 3.09Å
27	I	79	Confident	75.3	Confident	13 Å²	13	84 Å²	84	7%	0.067	44%	0.436	C	S	.	.	H	α-helix	trans	-46.2	-53	175	-69.4	172.4	0	0	0	113.1	T23 T24 V29 L30 E31 L87	T23-I27 WeakPolarHBondContact O-CG1 3.24Å; T23-I27 PolarHBondContact O-N 2.81Å; T23-I27 VanDerWaalsContact O-N 3.09Å; T24-I27 HydrophobicContact CG2-CD1 4.29Å; I27-V29 PolarHBondContact O-N 2.68Å; I27-V29 VanDerWaalsContact O-N 3.15Å; I27-L30 PolarHBondContact O-N 3.42Å; I27-L30 VanDerWaalsContact O-N 3.13Å; I27-E31 HydrophobicContact CG2-CG 4.11Å; I27-E31 WeakPolarHBondContact CG2-OE1 3.39Å; I27-E31 WeakPolarHBondContact O-CG 3.44Å; I27-E31 PolarHBondContact O-N 3.12Å; I27-L87 HydrophobicContact CG1-CD1 4.36Å
28	P	78.8	Confident	75.4	Confident	69 Å²	69	82.5 Å²	82.5	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-16.3	-175.2	26.8	-37.1	0	0	0	114.4	G25 K32	G25-P28 WeakPolarHBondContact O-CD 3.49Å; G25-P28 WeakPolarHBondContact O-CG 3.41Å; P28-K32 WeakPolarHBondContact O-CE 3.43Å
29	V	79.1	Confident	75.5	Confident	91 Å²	91	86.5 Å²	86.5	55%	0.552	44%	0.441	S	S	*	.	H	α-helix	trans	-88.7	-40.8	173.6	-178.9	0	0	0	0	109.8	L26 I27 K32	L26-V29 PolarHBondContact O-N 2.96Å; L26-V29 VanDerWaalsContact O-N 3.11Å; I27-V29 PolarHBondContact O-N 2.68Å; I27-V29 VanDerWaalsContact O-N 3.15Å; V29-K32 WeakPolarHBondContact O-CB 3.35Å; V29-K32 PolarHBondContact O-N 2.87Å
30	L	75.3	Confident	75.1	Confident	36 Å²	36	86 Å²	86	19%	0.188	44%	0.439	C	S	.	.	H	α-helix	trans	-65.6	-35.6	177.2	-71.4	171.9	0	0	0	112.4	L26 I27 K32 E33 P36 V38 L87	L26-L30 HydrophobicContact CB-CD1 4.11Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.37Å; L26-L30 PolarHBondContact O-N 3.09Å; I27-L30 PolarHBondContact O-N 3.42Å; I27-L30 VanDerWaalsContact O-N 3.13Å; L30-K32 PolarHBondContact O-N 3.13Å; L30-K32 VanDerWaalsContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 3.15Å; L30-E33 VanDerWaalsContact O-N 3.12Å; L30-P36 HydrophobicContact CB-CB 3.68Å; L30-P36 HydrophobicContact CD2-CB 3.85Å; L30-P36 HydrophobicContact CG-CB 4.31Å; L30-P36 VanDerWaalsContact O-CB 3.27Å; L30-P36 WeakPolarHBondContact O-CB 3.37Å; L30-P36 VanDerWaalsContact O-CG 3.29Å; L30-P36 WeakPolarHBondContact O-CG 3.46Å; L30-V38 HydrophobicContact CD1-CG2 3.53Å; L30-L87 HydrophobicContact CB-CD1 4.31Å; L30-L87 HydrophobicContact CD1-CD1 4.4Å
31	E	76.2	Confident	74.7	Confident	116 Å²	116	86 Å²	86	54%	0.542	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.8	174.8	-76.1	178	168.7	0	0	113.9	I27 L87	I27-E31 HydrophobicContact CG2-CG 4.11Å; I27-E31 WeakPolarHBondContact CG2-OE1 3.39Å; I27-E31 WeakPolarHBondContact O-CG 3.44Å; I27-E31 PolarHBondContact O-N 3.12Å; E31-L87 HydrophobicContact CG-CD2 4.21Å
32	K	79.6	Confident	73.6	Confident	175 Å²	175	82.3 Å²	82.3	76%	0.761	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-12.4	177	-62.5	177.9	-177.4	178.1	0	113.2	P28 V29 L30	P28-K32 WeakPolarHBondContact O-CE 3.43Å; V29-K32 WeakPolarHBondContact O-CB 3.35Å; V29-K32 PolarHBondContact O-N 2.87Å; L30-K32 PolarHBondContact O-N 3.13Å; L30-K32 VanDerWaalsContact O-N 3.16Å
33	E	81.1	Confident	72.3	Confident	133 Å²	133	78.4 Å²	78.4	62%	0.621	41%	0.414	S	S	*	.	S	Bend	trans	-94.2	154.5	180	-74.8	-63.6	157.9	0	0	111.7	L30 P36	L30-E33 PolarHBondContact O-N 3.15Å; L30-E33 VanDerWaalsContact O-N 3.12Å; E33-P36 WeakPolarHBondContact O-CD 3.49Å
34	H	73	Confident	70.7	Confident	190 Å²	190	80.4 Å²	80.4	88%	0.88	44%	0.438	S	S	*	.	S	Bend	trans	-77.5	-22.9	-175.6	-172.2	-75.6	0	0	0	113.6
35	D	72.9	Confident	69.1	Low	95 Å²	95	79.1 Å²	79.1	51%	0.508	43%	0.434	S	S	.	.	S	Bend	trans	-147.3	68.7	176.8	-174.2	36.8	0	0	0	111.6	R37	D35-R37 PolarHBondContact O-N 2.95Å; D35-R37 IonicContact OD2-CZ 3.23Å; D35-R37 VanDerWaalsContact OD2-CZ 3.23Å; D35-R37 IonicContact OD2-NE 2.9Å; D35-R37 PolarHBondContact OD2-NE 3.11Å; D35-R37 IonicContact OD2-NH2 2.72Å; D35-R37 PolarHBondContact OD2-NH2 3.21Å
36	P	70.3	Confident	67.2	Low	22 Å²	22	80.7 Å²	80.7	14%	0.143	43%	0.428	C	S	.	.			trans	-68.4	130.7	179.9	26.9	-33.7	0	0	0	111.8	L30 E33 L87	L30-P36 HydrophobicContact CB-CB 3.68Å; L30-P36 HydrophobicContact CD2-CB 3.85Å; L30-P36 HydrophobicContact CG-CB 4.31Å; L30-P36 VanDerWaalsContact O-CB 3.27Å; L30-P36 WeakPolarHBondContact O-CB 3.37Å; L30-P36 VanDerWaalsContact O-CG 3.29Å; L30-P36 WeakPolarHBondContact O-CG 3.46Å; E33-P36 WeakPolarHBondContact O-CD 3.49Å; P36-L87 HydrophobicContact CG-CD2 4.21Å
37	R	74.2	Confident	65.3	Low	172 Å²	172	84.3 Å²	84.3	65%	0.649	45%	0.447	S	S	*	.			trans	-124.2	128.2	178.4	-60	-177.9	-173.5	-171.9	3.8	110.9	D35	D35-R37 PolarHBondContact O-N 2.95Å; D35-R37 IonicContact OD2-CZ 3.23Å; D35-R37 VanDerWaalsContact OD2-CZ 3.23Å; D35-R37 IonicContact OD2-NE 2.9Å; D35-R37 PolarHBondContact OD2-NE 3.11Å; D35-R37 IonicContact OD2-NH2 2.72Å; D35-R37 PolarHBondContact OD2-NH2 3.21Å
38	V	68.1	Low	63.3	Low	32 Å²	32	88.8 Å²	88.8	19%	0.194	48%	0.475	C	S	.	.			trans	-114.1	117.1	171.4	-178.7	0	0	0	0	108.2	T23 L30	T23-V38 HydrophobicContact CG2-CG1 4.15Å; L30-V38 HydrophobicContact CD1-CG2 3.53Å
39	I	71.4	Confident	61.4	Low	117 Å²	117	89.4 Å²	89.4	60%	0.6	47%	0.472	S	S	*	.			trans	-105.4	104	177.7	-56.8	174.3	0	0	0	108	V41	I39-V41 HydrophobicContact CG2-CG2 4.48Å
40	T	64.2	Low	59.6	Low	33 Å²	33	94.5 Å²	94.5	20%	0.202	49%	0.486	C	S	.	.			trans	-93.2	116.2	170.7	-46.5	0	0	0	0	108.8	V19	V19-T40 HydrophobicContact CG1-CG2 4.29Å
41	V	60.4	Low	58.1	Low	103 Å²	103	95.4 Å²	95.4	62%	0.624	49%	0.491	S	S	*	.			trans	-83.2	121.5	175.9	-177.5	0	0	0	0	108.9	I39	I39-V41 HydrophobicContact CG2-CG2 4.48Å
42	S	54.7	Low	56.6	Low	25 Å²	25	94.3 Å²	94.3	18%	0.175	49%	0.489	C	S	.	.			trans	-124.1	159.9	171.1	-177.8	0	0	0	0	109
43	S	50.7	Low	55.2	Low	30 Å²	30	91.1 Å²	91.1	21%	0.21	48%	0.484	C	S	.	.	B	Isolated β-bridge	trans	-120	161	174	96.5	0	0	0	0	112.9	G45 K73 S95	S43-G45 PolarHBondContact O-N 3.05Å; S43-K73 WeakPolarHBondContact OG-CE 3.49Å; S43-K73 PolarHBondContact OG-NZ 3.44Å; S43-S95 WeakPolarHBondContact CB-OG 3.34Å
44	G	40	Very low	53.5	Low	55 Å²	55	91.9 Å²	91.9	57%	0.567	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-64.3	10.3	-168	0	0	0	0	0	118.3	M46	G44-M46 PolarHBondContact O-N 3.34Å; G44-M46 VanDerWaalsContact O-N 3.1Å
45	G	42.7	Very low	52.3	Low	21 Å²	21	84.7 Å²	84.7	22%	0.216	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-65.5	-5.4	169.5	0	0	0	0	0	114.1	S43 L47 A70	S43-G45 PolarHBondContact O-N 3.05Å; G45-L47 PolarHBondContact O-N 3.04Å; G45-A70 WeakPolarHBondContact O-CB 3.49Å
46	M	40.8	Very low	51.3	Low	84 Å²	84	83.7 Å²	83.7	41%	0.414	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-68.1	-24	-179.2	-169.7	-128.1	-36.7	0	0	115.1	G44 V48 I77	G44-M46 PolarHBondContact O-N 3.34Å; G44-M46 VanDerWaalsContact O-N 3.1Å; M46-V48 VanDerWaalsContact C-N 3.27Å; M46-V48 PolarHBondContact O-N 2.9Å; M46-I77 HydrophobicContact CB-CD1 4.29Å; M46-I77 HydrophobicContact CE-CD1 3.33Å; M46-I77 HydrophobicContact CG-CD1 3.33Å; M46-I77 HydrophobicContact CG-CG1 4.48Å; M46-I77 HydrophobicContact SD-CD1 3.13Å; M46-I77 WeakPolarHBondContact SD-CD1 3.1Å
47	L	38.7	Very low	50.1	Low	158 Å²	158	85.1 Å²	85.1	83%	0.827	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-79.2	-5.3	-173.1	-80.8	161.7	0	0	0	114.3	G45	G45-L47 PolarHBondContact O-N 3.04Å
48	V	37.1	Very low	49	Very low	108 Å²	108	77.7 Å²	77.7	66%	0.655	43%	0.434	S	S	*	.	S	Bend	trans	-98.9	-21	-167.6	-168.5	0	0	0	0	113.3	M46	M46-V48 VanDerWaalsContact C-N 3.27Å; M46-V48 PolarHBondContact O-N 2.9Å
49	Q	38.2	Very low	48.1	Very low	81 Å²	81	82.9 Å²	82.9	38%	0.379	46%	0.456	S	S	.	.			trans	-143.6	127.8	-175.4	-91.2	-106.8	-63.9	0	0	113.6	L51 M67	Q49-L51 PolarHBondContact O-N 3.45Å; Q49-M67 HydrophobicContact CG-CE 3.53Å; Q49-M67 HydrophobicContact CG-SD 4.31Å
50	K	41.4	Very low	46.9	Very low	198 Å²	198	88.3 Å²	88.3	86%	0.861	47%	0.469	S	S	*	.			trans	-62	122.9	166.4	-87	-179.2	175	175.4	0	109	N52	K50-N52 PolarHBondContact O-N 3.38Å
51	L	43.6	Very low	46.1	Very low	55 Å²	55	90.7 Å²	90.7	29%	0.288	48%	0.484	S	S	.	.			trans	-61.2	118.3	175.2	-165.7	82.9	0	0	0	109.7	Q49 A75 V78	Q49-L51 PolarHBondContact O-N 3.45Å; L51-A75 HydrophobicContact CD1-CB 4.42Å; L51-V78 HydrophobicContact CD2-CB 4.04Å; L51-V78 HydrophobicContact CD2-CG2 3.3Å
52	N	46.5	Very low	45.5	Very low	93 Å²	93	91.7 Å²	91.7	50%	0.497	49%	0.493	S	S	.	.			trans	-93.4	106	174.1	-166.7	-8.7	0	0	0	108.7	K50 N54 D55	K50-N52 PolarHBondContact O-N 3.38Å; N52-N54 PolarHBondContact O-N 3.49Å; N52-N54 VanDerWaalsContact O-N 3.12Å; N52-N54 PolarHBondContact OD1-N 3.32Å; N52-D55 CarbonylContact O-C 3.54Å; N52-D55 PolarHBondContact O-N 3.16Å
53	T	49.6	Very low	45.1	Very low	108 Å²	108	96.2 Å²	96.2	66%	0.663	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.3	-179.5	51.6	0	0	0	0	113.5
54	N	44.1	Very low	45.2	Very low	150 Å²	150	98.8 Å²	98.8	80%	0.802	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.4	178.8	-76.5	-12.4	0	0	0	114.2	N52	N52-N54 PolarHBondContact O-N 3.49Å; N52-N54 VanDerWaalsContact O-N 3.12Å; N52-N54 PolarHBondContact OD1-N 3.32Å
55	D	48.3	Very low	45.8	Very low	38 Å²	38	98.4 Å²	98.4	20%	0.203	52%	0.517	C	S	.	.			trans	-145.3	67.1	178	-167.7	1.7	0	0	0	109.8	N52 Q57 S58 E59 R60	N52-D55 CarbonylContact O-C 3.54Å; N52-D55 PolarHBondContact O-N 3.16Å; D55-Q57 PolarHBondContact O-N 3.08Å; D55-S58 WeakPolarHBondContact OD1-CA 3.42Å; D55-S58 PolarHBondContact OD1-N 3.37Å; D55-S58 VanDerWaalsContact OD1-N 3.16Å; D55-E59 PolarHBondContact OD1-N 3.03Å; D55-R60 PolarHBondContact OD2-N 2.98Å
56	L	51.5	Low	46.4	Very low	75 Å²	75	102.7 Å²	102.7	39%	0.393	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.3	-178	-118.3	74.7	0	0	0	113.3	F12	F12-L56 HydrophobicContact CE2-CD2 3.71Å; F12-L56 HydrophobicContact CE2-CG 4.3Å; F12-L56 HydrophobicContact CZ-CD2 3.75Å
57	Q	46.8	Very low	47	Very low	51 Å²	51	101.8 Å²	101.8	24%	0.238	54%	0.535	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	2.8	-174.7	-68.1	-162.9	1.1	0	0	114	D55 E59	D55-Q57 PolarHBondContact O-N 3.08Å; Q57-E59 PolarHBondContact O-N 3.47Å
58	S	50.5	Low	47.7	Very low	16 Å²	16	95.3 Å²	95.3	11%	0.112	50%	0.502	C	S	.	.			trans	49.9	47.4	-171.7	-84.1	0	0	0	0	111.3	D55 R60 Q71	D55-S58 WeakPolarHBondContact OD1-CA 3.42Å; D55-S58 PolarHBondContact OD1-N 3.37Å; D55-S58 VanDerWaalsContact OD1-N 3.16Å; S58-R60 PolarHBondContact O-N 3.28Å; S58-Q71 VanDerWaalsContact OG-CD 3.24Å; S58-Q71 PolarHBondContact OG-NE2 2.9Å; S58-Q71 PolarHBondContact OG-OE1 3.4Å
59	E	48.1	Very low	48.6	Very low	141 Å²	141	96.2 Å²	96.2	66%	0.659	49%	0.494	S	S	*	.			trans	-74.1	-20.6	-176.5	-142.6	-179.6	-164.1	0	0	111.8	D55 Q57	D55-E59 PolarHBondContact OD1-N 3.03Å; Q57-E59 PolarHBondContact O-N 3.47Å
60	R	46.1	Very low	49.2	Very low	231 Å²	231	92.9 Å²	92.9	87%	0.872	48%	0.48	S	S	*	.	S	Bend	trans	-106.7	-2.4	-175.4	-71.9	-175.9	168.7	-166.9	-2.6	116	D55 S58	D55-R60 PolarHBondContact OD2-N 2.98Å; S58-R60 PolarHBondContact O-N 3.28Å
61	T	48.8	Very low	49.7	Very low	84 Å²	84	85 Å²	85	52%	0.515	45%	0.447	S	S	.	.	S	Bend	trans	-116.4	148.4	-175.6	13.1	0	0	0	0	113	F63	T61-F63 PolarHBondContact O-N 2.96Å
62	P	46.8	Very low	50.2	Low	123 Å²	123	83 Å²	83	80%	0.799	44%	0.436	S	S	*	.			trans	-54.8	132.5	175.2	-19.6	30.1	0	0	0	110.8	D64	P62-D64 PolarHBondContact O-N 3.35Å; P62-D64 VanDerWaalsContact O-N 3.08Å
63	F	46.9	Very low	50.6	Low	121 Å²	121	80 Å²	80	53%	0.531	42%	0.418	S	S	.	.			trans	-67.8	104.7	-173.5	-174.2	-95	0	0	0	111.1	R1 T61 V68	R1-F63 HydrophobicContact CB-CD2 3.92Å; R1-F63 HydrophobicContact CB-CE2 3.67Å; R1-F63 HydrophobicContact CB-CZ 4.22Å; R1-F63 HydrophobicContact CG-CD2 4.27Å; R1-F63 HydrophobicContact CG-CE2 3.94Å; T61-F63 PolarHBondContact O-N 2.96Å; F63-V68 HydrophobicContact CD2-CG2 4.14Å; F63-V68 HydrophobicContact CE2-CG2 4.04Å
64	D	53.1	Low	50.7	Low	83 Å²	83	75.4 Å²	75.4	44%	0.444	39%	0.393	S	S	.	.			trans	-113.1	118.8	170.7	-169.8	-36.6	0	0	0	109	P62 T66 M67 V68	P62-D64 PolarHBondContact O-N 3.35Å; P62-D64 VanDerWaalsContact O-N 3.08Å; D64-T66 PolarHBondContact O-N 3.24Å; D64-T66 PolarHBondContact OD1-N 3.22Å; D64-T66 VanDerWaalsContact OD1-N 3.07Å; D64-T66 PolarHBondContact OD1-OG1 2.85Å; D64-M67 HydrophobicContact CB-CB 4.07Å; D64-M67 HydrophobicContact CB-CG 3.91Å; D64-M67 PolarHBondContact O-N 3.34Å; D64-V68 PolarHBondContact O-N 3.07Å
65	G	52.2	Low	51.1	Low	48 Å²	48	68.6 Å²	68.6	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-30	-174.5	0	0	0	0	0	113.2	Y69	G65-Y69 WeakPolarHBondContact O-CB 3.33Å; G65-Y69 PolarHBondContact O-N 3.44Å
66	T	55.3	Low	51.3	Low	110 Å²	110	67.9 Å²	67.9	68%	0.675	35%	0.353	S	S	*	.	H	α-helix	trans	-71.5	-38.2	177.2	-45	0	0	0	0	111.2	D64 A70	D64-T66 PolarHBondContact O-N 3.24Å; D64-T66 PolarHBondContact OD1-N 3.22Å; D64-T66 VanDerWaalsContact OD1-N 3.07Å; D64-T66 PolarHBondContact OD1-OG1 2.85Å; T66-A70 WeakPolarHBondContact O-CB 3.42Å; T66-A70 PolarHBondContact O-N 2.72Å
67	M	53.6	Low	51.4	Low	65 Å²	65	67.1 Å²	67.1	32%	0.32	35%	0.349	S	S	.	.	H	α-helix	trans	-74.6	-41.5	-177.9	-67.9	-68.8	-72	0	0	112.2	Q49 D64 Y69 A70 Q71	Q49-M67 HydrophobicContact CG-CE 3.53Å; Q49-M67 HydrophobicContact CG-SD 4.31Å; D64-M67 HydrophobicContact CB-CB 4.07Å; D64-M67 HydrophobicContact CB-CG 3.91Å; D64-M67 PolarHBondContact O-N 3.34Å; M67-Y69 VanDerWaalsContact C-N 3.32Å; M67-Y69 PolarHBondContact O-N 2.84Å; M67-A70 PolarHBondContact O-N 2.95Å; M67-Q71 WeakPolarHBondContact O-CB 3.23Å; M67-Q71 WeakPolarHBondContact O-CG 3.37Å; M67-Q71 PolarHBondContact O-N 2.89Å
68	V	54	Low	51.7	Low	23 Å²	23	68.5 Å²	68.5	14%	0.139	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-40.1	175.9	175.3	0	0	0	0	110.6	F63 D64 Q71 N72	F63-V68 HydrophobicContact CD2-CG2 4.14Å; F63-V68 HydrophobicContact CE2-CG2 4.04Å; D64-V68 PolarHBondContact O-N 3.07Å; V68-Q71 PolarHBondContact O-N 2.81Å; V68-N72 WeakPolarHBondContact O-CB 3.15Å; V68-N72 PolarHBondContact O-N 3.41Å
69	Y	55.3	Low	51.7	Low	127 Å²	127	68.3 Å²	68.3	50%	0.498	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-44.1	175	-171.4	-100.6	0	0	0	112.1	G65 M67 N72 K73	G65-Y69 WeakPolarHBondContact O-CB 3.33Å; G65-Y69 PolarHBondContact O-N 3.44Å; M67-Y69 VanDerWaalsContact C-N 3.32Å; M67-Y69 PolarHBondContact O-N 2.84Å; Y69-N72 PolarHBondContact O-N 3.07Å; Y69-K73 HydrophobicContact CE1-CD 4.38Å; Y69-K73 VanDerWaalsContact CE1-CE 3.43Å; Y69-K73 HydrophobicContact CE1-CG 4.43Å; Y69-K73 VanDerWaalsContact O-CG 3.24Å; Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 3.02Å; Y69-K73 WeakPolarHBondContact OH-CE 3.17Å; Y69-K73 PolarHBondContact OH-NZ 3.09Å
70	A	51.6	Low	51.8	Low	10 Å²	10	63.5 Å²	63.5	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-42.5	176	0	0	0	0	0	112.6	G45 T66 M67 K73 G74	G45-A70 WeakPolarHBondContact O-CB 3.49Å; T66-A70 WeakPolarHBondContact O-CB 3.42Å; T66-A70 PolarHBondContact O-N 2.72Å; M67-A70 PolarHBondContact O-N 2.95Å; A70-K73 PolarHBondContact O-N 3.5Å; A70-G74 PolarHBondContact O-N 3.21Å; A70-G74 VanDerWaalsContact O-N 3.16Å
71	Q	51.8	Low	52	Low	34 Å²	34	55.5 Å²	55.5	16%	0.159	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-42.2	177.1	-77.4	-173.4	3.5	0	0	112.7	S58 M67 V68 K73 G74 A75	S58-Q71 VanDerWaalsContact OG-CD 3.24Å; S58-Q71 PolarHBondContact OG-NE2 2.9Å; S58-Q71 PolarHBondContact OG-OE1 3.4Å; M67-Q71 WeakPolarHBondContact O-CB 3.23Å; M67-Q71 WeakPolarHBondContact O-CG 3.37Å; M67-Q71 PolarHBondContact O-N 2.89Å; V68-Q71 PolarHBondContact O-N 2.81Å; Q71-K73 PolarHBondContact O-N 3.04Å; Q71-G74 WeakPolarHBondContact O-CA 3.28Å; Q71-G74 PolarHBondContact O-N 3.31Å; Q71-A75 PolarHBondContact O-N 3.18Å; Q71-A75 VanDerWaalsContact O-N 3.08Å
72	N	53	Low	52	Low	11 Å²	11	54.2 Å²	54.2	6%	0.059	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-31.7	178.9	-159.9	30.3	0	0	0	111.8	N11 F12 N15 T16 V68 Y69 A75 H76	N11-N72 WeakPolarHBondContact CB-ND2 3.5Å; N11-N72 PolarHBondContact O-ND2 2.94Å; F12-N72 WeakPolarHBondContact CA-OD1 3.47Å; N15-N72 PolarHBondContact ND2-ND2 3.48Å; T16-N72 PolarHBondContact OG1-OD1 3.38Å; V68-N72 WeakPolarHBondContact O-CB 3.15Å; V68-N72 PolarHBondContact O-N 3.41Å; Y69-N72 PolarHBondContact O-N 3.07Å; N72-A75 PolarHBondContact O-N 3.41Å; N72-H76 PolarHBondContact O-N 3.07Å
73	K	56.1	Low	51.9	Low	30 Å²	30	49.1 Å²	49.1	13%	0.13	29%	0.285	C	S	.	.	H	α-helix	trans	-73.1	-30.4	173.1	-63.6	-115.1	177.1	179.9	0	113.2	S43 Y69 A70 Q71 A75 H76	S43-K73 WeakPolarHBondContact OG-CE 3.49Å; S43-K73 PolarHBondContact OG-NZ 3.44Å; Y69-K73 HydrophobicContact CE1-CD 4.38Å; Y69-K73 VanDerWaalsContact CE1-CE 3.43Å; Y69-K73 HydrophobicContact CE1-CG 4.43Å; Y69-K73 VanDerWaalsContact O-CG 3.24Å; Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 3.02Å; Y69-K73 WeakPolarHBondContact OH-CE 3.17Å; Y69-K73 PolarHBondContact OH-NZ 3.09Å; A70-K73 PolarHBondContact O-N 3.5Å; Q71-K73 PolarHBondContact O-N 3.04Å; K73-A75 VanDerWaalsContact C-N 3.33Å; K73-H76 WeakPolarHBondContact O-CB 3.42Å; K73-H76 PolarHBondContact O-N 2.9Å
74	G	51.3	Low	52	Low	13 Å²	13	46.2 Å²	46.2	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-39	169.7	0	0	0	0	0	112.1	A70 Q71 H76 I77 V78	A70-G74 PolarHBondContact O-N 3.21Å; A70-G74 VanDerWaalsContact O-N 3.16Å; Q71-G74 WeakPolarHBondContact O-CA 3.28Å; Q71-G74 PolarHBondContact O-N 3.31Å; G74-H76 VanDerWaalsContact C-N 3.32Å; G74-H76 PolarHBondContact O-N 3.21Å; G74-I77 PolarHBondContact O-N 3.29Å; G74-I77 VanDerWaalsContact O-N 3.11Å; G74-V78 PolarHBondContact O-N 3.12Å
75	A	53	Low	51.7	Low	7 Å²	7	50.1 Å²	50.1	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-31.4	178.4	0	0	0	0	0	113.1	T16 L51 Q71 N72 K73 I77 V78 C79	T16-A75 HydrophobicContact CG2-CB 3.68Å; L51-A75 HydrophobicContact CD1-CB 4.42Å; Q71-A75 PolarHBondContact O-N 3.18Å; Q71-A75 VanDerWaalsContact O-N 3.08Å; N72-A75 PolarHBondContact O-N 3.41Å; K73-A75 VanDerWaalsContact C-N 3.33Å; A75-I77 PolarHBondContact O-N 2.63Å; A75-V78 PolarHBondContact O-N 2.8Å; A75-C79 WeakPolarHBondContact O-CB 3.48Å; A75-C79 PolarHBondContact O-N 3.02Å
76	H	52.3	Low	51.6	Low	22 Å²	22	56.4 Å²	56.4	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-56.9	-33	170.1	-74.9	179.3	0	0	0	113.6	N15 N72 K73 G74 K80	N15-H76 VanDerWaalsContact C-NE2 3.25Å; N15-H76 WeakPolarHBondContact CB-NE2 3.29Å; N15-H76 PolarHBondContact O-CD2 3.2Å; N15-H76 PolarHBondContact O-NE2 3.08Å; N72-H76 PolarHBondContact O-N 3.07Å; K73-H76 WeakPolarHBondContact O-CB 3.42Å; K73-H76 PolarHBondContact O-N 2.9Å; G74-H76 VanDerWaalsContact C-N 3.32Å; G74-H76 PolarHBondContact O-N 3.21Å; H76-K80 WeakPolarHBondContact O-CB 3.4Å; H76-K80 PolarHBondContact O-N 3.04Å
77	I	53	Low	51.2	Low	60 Å²	60	52.1 Å²	52.1	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-84	-32.8	-176.9	-61.2	-175.7	0	0	0	111.8	M46 G74 A75 C79 K80 A81	M46-I77 HydrophobicContact CB-CD1 4.29Å; M46-I77 HydrophobicContact CE-CD1 3.33Å; M46-I77 HydrophobicContact CG-CD1 3.33Å; M46-I77 HydrophobicContact CG-CG1 4.48Å; M46-I77 HydrophobicContact SD-CD1 3.13Å; M46-I77 WeakPolarHBondContact SD-CD1 3.1Å; G74-I77 PolarHBondContact O-N 3.29Å; G74-I77 VanDerWaalsContact O-N 3.11Å; A75-I77 PolarHBondContact O-N 2.63Å; I77-C79 VanDerWaalsContact C-N 3.34Å; I77-K80 CarbonylContact O-C 3.57Å; I77-K80 WeakPolarHBondContact O-CB 3.48Å; I77-K80 PolarHBondContact O-N 2.8Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.03Å
78	V	53.5	Low	50.7	Low	79 Å²	79	54.4 Å²	54.4	48%	0.479	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-39	170.1	170.3	0	0	0	0	110.9	L51 G74 A75 K80 A81 A82	L51-V78 HydrophobicContact CD2-CB 4.04Å; L51-V78 HydrophobicContact CD2-CG2 3.3Å; G74-V78 PolarHBondContact O-N 3.12Å; A75-V78 PolarHBondContact O-N 2.8Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.88Å; V78-A81 PolarHBondContact O-N 2.98Å; V78-A82 WeakPolarHBondContact O-CB 3.29Å; V78-A82 PolarHBondContact O-N 2.87Å
79	C	49.3	Very low	50.1	Low	13 Å²	13	55 Å²	55	9%	0.088	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-46.3	169.5	-172.2	0	0	0	0	110.7	Y20 A75 I77 A81 A82 S83	Y20-C79 VanDerWaalsContact CB-SG 3.59Å; A75-C79 WeakPolarHBondContact O-CB 3.48Å; A75-C79 PolarHBondContact O-N 3.02Å; I77-C79 VanDerWaalsContact C-N 3.34Å; C79-A81 PolarHBondContact O-N 2.96Å; C79-A82 PolarHBondContact O-N 3.16Å; C79-S83 PolarHBondContact O-N 2.98Å; C79-S83 PolarHBondContact O-OG 3.08Å; C79-S83 VanDerWaalsContact O-OG 3.09Å
80	K	50.5	Low	49.4	Very low	40 Å²	40	59 Å²	59	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-45.7	172.8	-176.3	172.3	-177.7	163.4	0	112.7	H76 I77 V78 A82 S83 T84 C92	H76-K80 WeakPolarHBondContact O-CB 3.4Å; H76-K80 PolarHBondContact O-N 3.04Å; I77-K80 CarbonylContact O-C 3.57Å; I77-K80 WeakPolarHBondContact O-CB 3.48Å; I77-K80 PolarHBondContact O-N 2.8Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.88Å; K80-A82 VanDerWaalsContact C-N 3.35Å; K80-A82 PolarHBondContact O-N 3.37Å; K80-S83 PolarHBondContact O-N 3.42Å; K80-T84 VanDerWaalsContact O-CB 3.3Å; K80-T84 WeakPolarHBondContact O-CB 3.43Å; K80-T84 PolarHBondContact O-N 2.91Å; K80-T84 PolarHBondContact O-OG1 2.8Å; K80-C92 PolarHBondContact NZ-SG 3.38Å
81	A	50.4	Low	48.4	Very low	63 Å²	63	62.4 Å²	62.4	52%	0.521	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-40.6	179.9	0	0	0	0	0	111.8	I77 V78 C79 T84 L85	I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.03Å; V78-A81 PolarHBondContact O-N 2.98Å; C79-A81 PolarHBondContact O-N 2.96Å; A81-T84 PolarHBondContact O-N 3.45Å; A81-L85 PolarHBondContact O-N 3.43Å
82	A	49.6	Very low	47.6	Very low	57 Å²	57	65.3 Å²	65.3	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-39.1	175.5	0	0	0	0	0	112.3	V78 C79 K80	V78-A82 WeakPolarHBondContact O-CB 3.29Å; V78-A82 PolarHBondContact O-N 2.87Å; C79-A82 PolarHBondContact O-N 3.16Å; K80-A82 VanDerWaalsContact C-N 3.35Å; K80-A82 PolarHBondContact O-N 3.37Å
83	S	45.2	Very low	46.7	Very low	16 Å²	16	70.1 Å²	70.1	11%	0.112	39%	0.392	C	S	.	.	H	α-helix	trans	-77	-31.2	176.6	-52.9	0	0	0	0	113.5	C79 K80 L85 R86 L87	C79-S83 PolarHBondContact O-N 2.98Å; C79-S83 PolarHBondContact O-OG 3.08Å; C79-S83 VanDerWaalsContact O-OG 3.09Å; K80-S83 PolarHBondContact O-N 3.42Å; S83-L85 PolarHBondContact O-N 3.4Å; S83-R86 PolarHBondContact O-N 3.33Å; S83-R86 VanDerWaalsContact O-N 3.12Å; S83-L87 PolarHBondContact O-N 3.28Å
84	T	48.1	Very low	45.6	Very low	60 Å²	60	73.5 Å²	73.5	37%	0.368	42%	0.417	S	S	.	.	H	α-helix	trans	-67.3	-25.6	178.5	-55.7	0	0	0	0	111.9	K80 A81 R86 C89	K80-T84 VanDerWaalsContact O-CB 3.3Å; K80-T84 WeakPolarHBondContact O-CB 3.43Å; K80-T84 PolarHBondContact O-N 2.91Å; K80-T84 PolarHBondContact O-OG1 2.8Å; A81-T84 PolarHBondContact O-N 3.45Å; T84-R86 PolarHBondContact O-N 3.24Å; T84-C89 HydrophobicContact CG2-CB 4.43Å
85	L	46.5	Very low	44.9	Very low	165 Å²	165	75.6 Å²	75.6	86%	0.864	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.8	174.5	-158.2	75.5	0	0	0	112.7	A81 S83	A81-L85 PolarHBondContact O-N 3.43Å; S83-L85 PolarHBondContact O-N 3.4Å
86	R	50	Low	44	Very low	180 Å²	180	84.1 Å²	84.1	68%	0.679	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-25.9	179.7	-104.2	179.6	175.6	161.2	-2.3	115	S83 T84	S83-R86 PolarHBondContact O-N 3.33Å; S83-R86 VanDerWaalsContact O-N 3.12Å; T84-R86 PolarHBondContact O-N 3.24Å
87	L	47.6	Very low	43.1	Very low	20 Å²	20	86.7 Å²	86.7	11%	0.105	50%	0.501	C	S	.	.	S	Bend	trans	-139.6	139.8	-178.4	-68.8	169.9	0	0	0	111.1	I27 L30 E31 P36 S83 C89	I27-L87 HydrophobicContact CG1-CD1 4.36Å; L30-L87 HydrophobicContact CB-CD1 4.31Å; L30-L87 HydrophobicContact CD1-CD1 4.4Å; E31-L87 HydrophobicContact CG-CD2 4.21Å; P36-L87 HydrophobicContact CG-CD2 4.21Å; S83-L87 PolarHBondContact O-N 3.28Å; L87-C89 PolarHBondContact O-N 3.08Å
88	P	42.8	Very low	41.8	Very low	112 Å²	112	87 Å²	87	73%	0.727	52%	0.518	S	S	*	.			trans	-67.7	91.3	176.7	28.1	-33.1	0	0	0	111	R90	P88-R90 PolarHBondContact O-N 2.71Å
89	C	40.8	Very low	41	Very low	35 Å²	35	89.4 Å²	89.4	24%	0.236	54%	0.535	C	S	.	.			trans	-80.6	108.5	177.1	-72.9	0	0	0	0	111.3	T84 L87	T84-C89 HydrophobicContact CG2-CB 4.43Å; L87-C89 PolarHBondContact O-N 3.08Å
90	R	41.5	Very low	40.2	Very low	212 Å²	212	99.4 Å²	99.4	80%	0.8	60%	0.596	S	S	*	*			trans	-92.5	130.2	166	-105.3	177.1	170.4	-156	-2.8	110.3	P88	P88-R90 PolarHBondContact O-N 2.71Å
91	C	31.3	Very low	39.7	Very low	82 Å²	82	102.4 Å²	102.4	55%	0.554	62%	0.617	S	S	*	*			trans	93.2	106.9	164.8	-53.9	0	0	0	0	117.8
92	C	33.4	Very low	39.1	Very low	95 Å²	95	104.5 Å²	104.5	64%	0.642	62%	0.622	S	S	*	*			trans	-84	125.8	143.3	-76.5	0	0	0	0	107.2	K80	K80-C92 PolarHBondContact NZ-SG 3.38Å
93	V	34.9	Very low	38.5	Very low	112 Å²	112	107.1 Å²	107.1	68%	0.679	63%	0.63	S	S	*	*			trans	-99.1	111.9	156.1	-175.4	0	0	0	0	105.4	S95	V93-S95 PolarHBondContact O-N 3.29Å
94	P	32.1	Very low	38.1	Very low	100 Å²	100	112.5 Å²	112.5	65%	0.649	66%	0.661	S	S	*	*			trans	-63.2	122.6	172.5	24.2	-28.6	0	0	0	108.1	E96	P94-E96 PolarHBondContact O-N 2.93Å
95	S	37.2	Very low	37.5	Very low	58 Å²	58	115.8 Å²	115.8	41%	0.406	68%	0.679	S	S	.	*	B	Isolated β-bridge	trans	-69.3	99.6	168.3	67.1	0	0	0	0	107.4	S43 V93 G97	S43-S95 WeakPolarHBondContact CB-OG 3.34Å; V93-S95 PolarHBondContact O-N 3.29Å; S95-G97 PolarHBondContact O-N 3.36Å; S95-G97 VanDerWaalsContact O-N 3.1Å
96	E	33.9	Very low	36.9	Very low	186 Å²	186	112.5 Å²	112.5	87%	0.869	67%	0.667	S	S	*	*			trans	-61.7	109.9	166.5	-65.9	-162.7	148	0	0	107.9	P94 G98	P94-E96 PolarHBondContact O-N 2.93Å; E96-G98 PolarHBondContact O-N 3.12Å
97	G	33.8	Very low	36	Very low	76 Å²	76	107.6 Å²	107.6	78%	0.784	67%	0.666	S	S	*	*			trans	-74.2	108.7	169.4	0	0	0	0	0	108.5	S95	S95-G97 PolarHBondContact O-N 3.36Å; S95-G97 VanDerWaalsContact O-N 3.1Å
98	G	26.4	Very low	35.1	Very low	65 Å²	65	114.4 Å²	114.4	67%	0.67	71%	0.709	S	S	*	*			trans	-67.7	151.9	163	0	0	0	0	0	110.9	E96	E96-G98 PolarHBondContact O-N 3.12Å
99	P	35.6	Very low	34.4	Very low	130 Å²	130	114.6 Å²	114.6	84%	0.844	71%	0.708	S	S	*	*			trans	-81.4	134.2	-175.7	32.8	-31.2	0	0	0	111.3
100	V	32.3	Very low	33.9	Very low	224 Å²	224	121.8 Å²	121.8	100%	1.358	75%	0.75	S	S	*	*			trans	-152.4	0	142.5	-84.6	0	0	0	0	109.3

Retrieved 100 of 100 residues in 61.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).