A0A087X0R1_HUMAN Loading...

Dehydrogenase/reductase 11

AlphaFold DB , UniProt , Accession A0A087X0R1, Species HUMAN (Homo sapiens, Human), Gene DHRS11, Length 109 aa.

						>A0A087X0R1_HUMAN|A0A087X0R1|DHRS11
NVLALSICTREAYQSMKERNVDDGHIININSMSGHRVLPLSVTHFYSATKYAVTALTEGLRQELREAQTHIRATCLKPEDVAEAVIYVLSTPAHIQIGDIQMRPTEQVT
					

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	N	88.6	Confident	95.8	Very high	103 Å²	103	74.8 Å²	74.8	55%	0.551	41%	0.411	S	S	*	.				0	-52	0	-60	6.3	0	0	0	112.5	L5 T49	N1-L5 VanDerWaalsContact O-CB 3.28Å; N1-L5 WeakPolarHBondContact O-CB 3.44Å; N1-T49 HydrophobicContact CB-CG2 4.36Å; N1-T49 PolarHBondContact ND2-OG1 3.46Å
2	V	96.1	Very high	95.6	Very high	47 Å²	47	71.5 Å²	71.5	29%	0.285	40%	0.401	S	S	.	.			trans	-93.6	-65.2	-175.9	-176.7	0	0	0	0	112.1	A4 L5 S6 T49 A52 L56	V2-A4 PolarHBondContact O-N 3.03Å; V2-L5 WeakPolarHBondContact O-CB 3.49Å; V2-L5 PolarHBondContact O-N 3.14Å; V2-L5 VanDerWaalsContact O-N 3.11Å; V2-S6 PolarHBondContact O-N 2.9Å; V2-S6 PolarHBondContact O-OG 3.25Å; V2-T49 HydrophobicContact CG2-CG2 4.36Å; V2-A52 HydrophobicContact CG1-CB 4.5Å; V2-A52 HydrophobicContact CG2-CB 3.75Å; V2-L56 HydrophobicContact CG1-CD1 3.7Å
3	L	97.5	Very high	95.6	Very high	130 Å²	130	69.6 Å²	69.6	68%	0.681	38%	0.384	S	S	*	.	H	α-helix	trans	-57.6	-51.7	-170	-175	65.4	0	0	0	114.1	L5 S6 I7	L3-L5 VanDerWaalsContact C-N 3.28Å; L3-L5 PolarHBondContact O-N 3.23Å; L3-S6 PolarHBondContact O-N 3.36Å; L3-I7 HydrophobicContact CD1-CD1 4.19Å; L3-I7 HydrophobicContact CG-CD1 3.94Å; L3-I7 WeakPolarHBondContact O-CG1 3.13Å; L3-I7 PolarHBondContact O-N 2.91Å
4	A	96.6	Very high	95.7	Very high	64 Å²	64	70 Å²	70	53%	0.529	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-39.4	179	0	0	0	0	0	112.1	V2 I7 C8	V2-A4 PolarHBondContact O-N 3.03Å; A4-I7 PolarHBondContact O-N 3.18Å; A4-C8 WeakPolarHBondContact O-CB 3.44Å; A4-C8 PolarHBondContact O-N 3.28Å; A4-C8 PolarHBondContact O-SG 2.85Å
5	L	94.1	Very high	95.8	Very high	32 Å²	32	68.3 Å²	68.3	17%	0.168	38%	0.377	C	S	.	.	H	α-helix	trans	-62.7	-45.1	176.1	176.8	152	0	0	0	110.9	N1 V2 L3 C8 T9 N28 V53	N1-L5 VanDerWaalsContact O-CB 3.28Å; N1-L5 WeakPolarHBondContact O-CB 3.44Å; V2-L5 WeakPolarHBondContact O-CB 3.49Å; V2-L5 PolarHBondContact O-N 3.14Å; V2-L5 VanDerWaalsContact O-N 3.11Å; L3-L5 VanDerWaalsContact C-N 3.28Å; L3-L5 PolarHBondContact O-N 3.23Å; L5-C8 PolarHBondContact O-N 2.87Å; L5-T9 VanDerWaalsContact O-CB 3.25Å; L5-T9 WeakPolarHBondContact O-CB 3.18Å; L5-T9 PolarHBondContact O-N 2.74Å; L5-T9 PolarHBondContact O-OG1 3.23Å; L5-N28 HydrophobicContact CD1-CB 4.07Å; L5-N28 WeakPolarHBondContact CG-OD1 3.49Å; L5-V53 HydrophobicContact CD1-CG1 3.97Å; L5-V53 HydrophobicContact CD1-CG2 3.93Å
6	S	96.4	Very high	95.7	Very high	44 Å²	44	65.6 Å²	65.6	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-41.3	177.3	-57.1	0	0	0	0	112.4	V2 L3 T9 R10	V2-S6 PolarHBondContact O-N 2.9Å; V2-S6 PolarHBondContact O-OG 3.25Å; L3-S6 PolarHBondContact O-N 3.36Å; S6-T9 PolarHBondContact O-N 2.89Å; S6-R10 WeakPolarHBondContact O-CB 3.3Å; S6-R10 PolarHBondContact O-N 3.15Å
7	I	98.1	Very high	95.7	Very high	68 Å²	68	69 Å²	69	35%	0.349	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-51.7	176.7	-66.8	167.6	0	0	0	110	L3 A4 T9 R10 E11	L3-I7 HydrophobicContact CD1-CD1 4.19Å; L3-I7 HydrophobicContact CG-CD1 3.94Å; L3-I7 WeakPolarHBondContact O-CG1 3.13Å; L3-I7 PolarHBondContact O-N 2.91Å; A4-I7 PolarHBondContact O-N 3.18Å; I7-T9 VanDerWaalsContact C-N 3.28Å; I7-T9 PolarHBondContact O-N 2.94Å; I7-R10 WeakPolarHBondContact O-CB 3.28Å; I7-R10 PolarHBondContact O-N 2.86Å; I7-R10 VanDerWaalsContact O-N 3.13Å; I7-E11 HydrophobicContact CG2-CG 4.29Å; I7-E11 WeakPolarHBondContact O-CG 3.46Å; I7-E11 PolarHBondContact O-N 3.39Å
8	C	96.5	Very high	95.8	Very high	86 Å²	86	73.6 Å²	73.6	58%	0.581	39%	0.39	S	S	*	.	H	α-helix	trans	-59.6	-40	178.8	-69.4	0	0	0	0	112.1	A4 L5 A12	A4-C8 WeakPolarHBondContact O-CB 3.44Å; A4-C8 PolarHBondContact O-N 3.28Å; A4-C8 PolarHBondContact O-SG 2.85Å; L5-C8 PolarHBondContact O-N 2.87Å; C8-A12 WeakPolarHBondContact O-CB 3.42Å; C8-A12 PolarHBondContact O-N 3.4Å
9	T	95.3	Very high	95.8	Very high	18 Å²	18	77.7 Å²	77.7	11%	0.11	40%	0.4	C	S	.	.	H	α-helix	trans	-58.9	-48.6	174.8	-65.2	0	0	0	0	111.1	L5 S6 I7 A12 Y13 I26 L60	L5-T9 VanDerWaalsContact O-CB 3.25Å; L5-T9 WeakPolarHBondContact O-CB 3.18Å; L5-T9 PolarHBondContact O-N 2.74Å; L5-T9 PolarHBondContact O-OG1 3.23Å; S6-T9 PolarHBondContact O-N 2.89Å; I7-T9 VanDerWaalsContact C-N 3.28Å; I7-T9 PolarHBondContact O-N 2.94Å; T9-A12 PolarHBondContact O-N 2.96Å; T9-Y13 WeakPolarHBondContact O-CB 3.17Å; T9-Y13 PolarHBondContact O-N 2.9Å; T9-I26 HydrophobicContact CG2-CD1 4.15Å; T9-I26 HydrophobicContact CG2-CG2 4.39Å; T9-L60 HydrophobicContact CG2-CD1 3.84Å; T9-L60 HydrophobicContact CG2-CD2 3.38Å; T9-L60 HydrophobicContact CG2-CG 4.21Å
10	R	96.6	Very high	95.7	Very high	135 Å²	135	81.1 Å²	81.1	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-61	-51.6	179.4	-178.2	-172.6	68.4	-158.6	-0.7	111.4	S6 I7 A12 Y13 Q14	S6-R10 WeakPolarHBondContact O-CB 3.3Å; S6-R10 PolarHBondContact O-N 3.15Å; I7-R10 WeakPolarHBondContact O-CB 3.28Å; I7-R10 PolarHBondContact O-N 2.86Å; I7-R10 VanDerWaalsContact O-N 3.13Å; R10-A12 VanDerWaalsContact C-N 3.33Å; R10-A12 PolarHBondContact O-N 3.45Å; R10-Y13 PolarHBondContact O-N 3.41Å; R10-Q14 WeakPolarHBondContact O-CG 3.31Å; R10-Q14 PolarHBondContact O-N 3.17Å
11	E	98.1	Very high	95.5	Very high	96 Å²	96	79.1 Å²	79.1	45%	0.449	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-37.6	-178.3	-59.8	-47	132.4	0	0	111.8	I7 Q14 S15	I7-E11 HydrophobicContact CG2-CG 4.29Å; I7-E11 WeakPolarHBondContact O-CG 3.46Å; I7-E11 PolarHBondContact O-N 3.39Å; E11-Q14 PolarHBondContact O-N 2.91Å; E11-S15 VanDerWaalsContact O-CB 3.31Å; E11-S15 WeakPolarHBondContact O-CB 3.32Å; E11-S15 PolarHBondContact O-N 2.92Å
12	A	93.2	Very high	95.4	Very high	35 Å²	35	77.5 Å²	77.5	29%	0.289	40%	0.401	S	S	.	.	H	α-helix	trans	-62.2	-45.3	174.8	0	0	0	0	0	111.4	C8 T9 R10 S15 M16 I26	C8-A12 WeakPolarHBondContact O-CB 3.42Å; C8-A12 PolarHBondContact O-N 3.4Å; T9-A12 PolarHBondContact O-N 2.96Å; R10-A12 VanDerWaalsContact C-N 3.33Å; R10-A12 PolarHBondContact O-N 3.45Å; A12-S15 PolarHBondContact O-N 2.87Å; A12-M16 VanDerWaalsContact O-CG 3.28Å; A12-M16 WeakPolarHBondContact O-CG 3.41Å; A12-M16 PolarHBondContact O-N 3.21Å; A12-I26 HydrophobicContact CB-CD1 4.42Å
13	Y	95.4	Very high	94.8	Very high	47 Å²	47	81 Å²	81	18%	0.184	42%	0.419	C	S	.	.	H	α-helix	trans	-63.8	-45.8	176.3	173.2	-112.2	0	0	0	112.3	T9 R10 S15 M16 K17 L64 I71	T9-Y13 WeakPolarHBondContact O-CB 3.17Å; T9-Y13 PolarHBondContact O-N 2.9Å; R10-Y13 PolarHBondContact O-N 3.41Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.73Å; Y13-M16 PolarHBondContact O-N 3.41Å; Y13-M16 VanDerWaalsContact O-N 3.17Å; Y13-K17 WeakPolarHBondContact O-CB 3.48Å; Y13-K17 PolarHBondContact O-N 2.78Å; Y13-L64 HydrophobicContact CD2-CD2 3.56Å; Y13-L64 HydrophobicContact CE2-CD2 3.48Å; Y13-L64 VanDerWaalsContact CE2-CD2 3.48Å; Y13-L64 HydrophobicContact CG-CD2 4.46Å; Y13-I71 HydrophobicContact CD2-CD1 4Å; Y13-I71 HydrophobicContact CE2-CD1 4Å
14	Q	97	Very high	94	Very high	75 Å²	75	75.3 Å²	75.3	35%	0.35	39%	0.391	S	S	.	.	H	α-helix	trans	-59.5	-43.7	176	-67.4	-61.3	-12.2	0	0	111.3	R10 E11 M16 K17 E18	R10-Q14 WeakPolarHBondContact O-CG 3.31Å; R10-Q14 PolarHBondContact O-N 3.17Å; E11-Q14 PolarHBondContact O-N 2.91Å; Q14-M16 VanDerWaalsContact C-N 3.35Å; Q14-M16 PolarHBondContact O-N 2.98Å; Q14-K17 WeakPolarHBondContact O-CB 3.46Å; Q14-K17 PolarHBondContact O-N 3.43Å; Q14-E18 WeakPolarHBondContact O-CB 3.4Å; Q14-E18 WeakPolarHBondContact O-CG 3.32Å; Q14-E18 PolarHBondContact O-N 3.08Å
15	S	97.8	Very high	93.4	Very high	44 Å²	44	74.5 Å²	74.5	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-61.2	-39.4	175.5	178.9	0	0	0	0	113.1	E11 A12 Y13 R19	E11-S15 VanDerWaalsContact O-CB 3.31Å; E11-S15 WeakPolarHBondContact O-CB 3.32Å; E11-S15 PolarHBondContact O-N 2.92Å; A12-S15 PolarHBondContact O-N 2.87Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.73Å; S15-R19 WeakPolarHBondContact O-CG 3.46Å; S15-R19 PolarHBondContact O-N 2.84Å; S15-R19 PolarHBondContact O-NE 3.49Å; S15-R19 PolarHBondContact OG-NE 2.89Å; S15-R19 PolarHBondContact OG-NH2 3.34Å
16	M	94.5	Very high	92.9	Very high	26 Å²	26	73.7 Å²	73.7	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-45.4	175.1	-70.8	171.3	-167.2	0	0	110.5	A12 Y13 Q14 R19 N20 V21 I26 I71	A12-M16 VanDerWaalsContact O-CG 3.28Å; A12-M16 WeakPolarHBondContact O-CG 3.41Å; A12-M16 PolarHBondContact O-N 3.21Å; Y13-M16 PolarHBondContact O-N 3.41Å; Y13-M16 VanDerWaalsContact O-N 3.17Å; Q14-M16 VanDerWaalsContact C-N 3.35Å; Q14-M16 PolarHBondContact O-N 2.98Å; M16-R19 CarbonylContact O-C 2.87Å; M16-R19 PolarHBondContact O-N 3.43Å; M16-N20 PolarHBondContact O-N 3.07Å; M16-V21 HydrophobicContact CB-CB 4.08Å; M16-V21 HydrophobicContact CB-CG1 4.44Å; M16-V21 HydrophobicContact CG-CB 4.43Å; M16-V21 HydrophobicContact CG-CG1 4.37Å; M16-V21 PolarHBondContact O-N 3.12Å; M16-I26 HydrophobicContact CE-CG1 4.07Å; M16-I71 HydrophobicContact CB-CD1 4.04Å; M16-I71 HydrophobicContact SD-CD1 4.14Å; M16-I71 HydrophobicContact SD-CG2 3.96Å
17	K	94.5	Very high	92.3	Very high	123 Å²	123	75.3 Å²	75.3	54%	0.535	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-46.5	178.8	-174.1	179.8	178.9	-179.5	0	112.5	Y13 Q14 R19 N20	Y13-K17 WeakPolarHBondContact O-CB 3.48Å; Y13-K17 PolarHBondContact O-N 2.78Å; Q14-K17 WeakPolarHBondContact O-CB 3.46Å; Q14-K17 PolarHBondContact O-N 3.43Å; K17-R19 PolarHBondContact O-N 2.83Å; K17-N20 PolarHBondContact O-N 3Å; K17-N20 VanDerWaalsContact O-N 3.14Å
18	E	97.4	Very high	91.7	Very high	152 Å²	152	72.6 Å²	72.6	71%	0.71	36%	0.362	S	S	*	.	H	α-helix	trans	-62.6	-26.9	178.4	-74.2	172.1	-174.8	0	0	113.4	Q14	Q14-E18 WeakPolarHBondContact O-CB 3.4Å; Q14-E18 WeakPolarHBondContact O-CG 3.32Å; Q14-E18 PolarHBondContact O-N 3.08Å
19	R	96.6	Very high	91.1	Very high	152 Å²	152	73.5 Å²	73.5	57%	0.574	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	6.5	179	-68.1	179.3	-69.4	130.1	-5.7	113.3	S15 M16 K17 V21	S15-R19 WeakPolarHBondContact O-CG 3.46Å; S15-R19 PolarHBondContact O-N 2.84Å; S15-R19 PolarHBondContact O-NE 3.49Å; S15-R19 PolarHBondContact OG-NE 2.89Å; S15-R19 PolarHBondContact OG-NH2 3.34Å; M16-R19 CarbonylContact O-C 2.87Å; M16-R19 PolarHBondContact O-N 3.43Å; K17-R19 PolarHBondContact O-N 2.83Å; R19-V21 HydrophobicContact CB-CG2 4.01Å; R19-V21 PolarHBondContact O-N 3.23Å
20	N	94.6	Very high	90.6	Very high	144 Å²	144	72.7 Å²	72.7	77%	0.77	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	35	-176.3	-58.2	34.4	0	0	0	112.8	M16 K17	M16-N20 PolarHBondContact O-N 3.07Å; K17-N20 PolarHBondContact O-N 3Å; K17-N20 VanDerWaalsContact O-N 3.14Å
21	V	89.8	Confident	89.8	Confident	40 Å²	40	66.9 Å²	66.9	24%	0.242	34%	0.335	C	S	.	.			trans	-82	120.9	173.6	174.8	0	0	0	0	108.4	M16 R19	M16-V21 HydrophobicContact CB-CB 4.08Å; M16-V21 HydrophobicContact CB-CG1 4.44Å; M16-V21 HydrophobicContact CG-CB 4.43Å; M16-V21 HydrophobicContact CG-CG1 4.37Å; M16-V21 PolarHBondContact O-N 3.12Å; R19-V21 HydrophobicContact CB-CG2 4.01Å; R19-V21 PolarHBondContact O-N 3.23Å
22	D	86.4	Confident	88.8	Confident	69 Å²	69	64.3 Å²	64.3	37%	0.369	32%	0.324	S	S	.	.			trans	-109	-12.3	-178.6	-166.9	31.6	0	0	0	113.2	T69 H70 I71	D22-T69 WeakPolarHBondContact OD1-CA 3.22Å; D22-T69 WeakPolarHBondContact OD1-CB 3.38Å; D22-H70 CarbonylContact O-C 3.52Å; D22-H70 WeakPolarHBondContact O-CA 3.48Å; D22-H70 WeakPolarHBondContact O-CB 3.43Å; D22-H70 PolarHBondContact O-N 3.41Å; D22-H70 VanDerWaalsContact O-N 3.15Å; D22-H70 PolarHBondContact OD1-N 2.89Å; D22-H70 IonicContact OD1-ND1 3.72Å; D22-H70 IonicContact OD2-CE1 3.61Å; D22-H70 IonicContact OD2-CG 3.7Å; D22-H70 IonicContact OD2-ND1 2.74Å; D22-H70 PolarHBondContact OD2-ND1 3.37Å; D22-I71 PolarHBondContact O-N 3.06Å
23	D	84.6	Confident	88.1	Confident	121 Å²	121	63.2 Å²	63.2	65%	0.647	31%	0.314	S	S	*	.	S	Bend	trans	-110.7	16.7	-175.1	66.8	-25.3	0	0	0	113.7
24	G	80.4	Confident	87.5	Confident	10 Å²	10	61 Å²	61	10%	0.103	31%	0.306	C	S	.	.			trans	-60.7	164.4	-178.4	0	0	0	0	0	114	I71 R72	G24-I71 CarbonylContact O-C 3.56Å; G24-I71 VanDerWaalsContact O-CA 3.3Å; G24-I71 WeakPolarHBondContact O-CA 3.42Å; G24-R72 PolarHBondContact O-N 3.17Å
25	H	84.3	Confident	86.8	Confident	48 Å²	48	61.2 Å²	61.2	22%	0.222	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	121.5	179.3	-169.3	-164.3	0	0	0	111.8	I27 R72 T74 Q107	H25-I27 VanDerWaalsContact CE1-CG1 3.41Å; H25-I27 WeakPolarHBondContact CE1-CG1 3.15Å; H25-R72 WeakPolarHBondContact CA-O 3.43Å; H25-R72 PolarHBondContact CD2-O 3.2Å; H25-T74 PolarHBondContact CE1-OG1 2.92Å; H25-T74 PolarHBondContact NE2-OG1 3.29Å; H25-Q107 PolarHBondContact CE1-NE2 3.46Å; H25-Q107 PolarHBondContact CE1-OE1 2.77Å; H25-Q107 PolarHBondContact ND1-NE2 3.22Å; H25-Q107 PolarHBondContact ND1-OE1 3.49Å; H25-Q107 PolarHBondContact NE2-OE1 3.37Å
26	I	84	Confident	85.9	Confident	14 Å²	14	65.3 Å²	65.3	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.2	174	-61	175	0	0	0	108.5	T9 A12 M16 L60 R72 A73 T74	T9-I26 HydrophobicContact CG2-CD1 4.15Å; T9-I26 HydrophobicContact CG2-CG2 4.39Å; A12-I26 HydrophobicContact CB-CD1 4.42Å; M16-I26 HydrophobicContact CE-CG1 4.07Å; I26-L60 HydrophobicContact CB-CD2 4.29Å; I26-L60 HydrophobicContact CD1-CD2 4.19Å; I26-L60 HydrophobicContact CG2-CD2 4.09Å; I26-R72 PolarHBondContact N-O 2.87Å; I26-A73 WeakPolarHBondContact O-CA 3.37Å; I26-T74 PolarHBondContact O-N 3.46Å
27	I	82.8	Confident	85.5	Confident	78 Å²	78	68.1 Å²	68.1	40%	0.4	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.5	-179.6	-56.4	175.8	0	0	0	109.2	H25 I29 T74 L76	H25-I27 VanDerWaalsContact CE1-CG1 3.41Å; H25-I27 WeakPolarHBondContact CE1-CG1 3.15Å; I27-I29 HydrophobicContact CG2-CD1 4.38Å; I27-T74 WeakPolarHBondContact CA-O 3.45Å; I27-L76 HydrophobicContact CG2-CD1 4.03Å; I27-L76 HydrophobicContact CG2-CG 4.32Å
28	N	85.4	Confident	84.6	Confident	11 Å²	11	65.7 Å²	65.7	6%	0.059	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.2	174.5	-72.7	-32.3	0	0	0	110.4	L5 N30 V53 T57 T74 C75 L76	L5-N28 HydrophobicContact CD1-CB 4.07Å; L5-N28 WeakPolarHBondContact CG-OD1 3.49Å; N28-N30 PolarHBondContact O-N 2.91Å; N28-V53 HydrophobicContact CB-CG1 4.04Å; N28-T57 PolarHBondContact ND2-OG1 3.11Å; N28-T74 PolarHBondContact N-O 3.11Å; N28-C75 WeakPolarHBondContact O-CA 3.41Å; N28-L76 PolarHBondContact O-N 3.19Å
29	I	84.1	Confident	84.1	Confident	106 Å²	106	64.9 Å²	64.9	54%	0.544	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.8	176.4	-52.4	-57.2	0	0	0	109.8	I27 K50	I27-I29 HydrophobicContact CG2-CD1 4.38Å; I29-K50 PolarHBondContact O-NZ 3.26Å
30	N	85	Confident	83.5	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.33	C	S	.	.			trans	-98.4	-147.6	-177.3	-154.5	-17.7	0	0	0	112.1	N28 K50 V53 T54 C75 L76 P78	N28-N30 PolarHBondContact O-N 2.91Å; N30-K50 PolarHBondContact O-NZ 3.29Å; N30-K50 WeakPolarHBondContact OD1-CD 3.31Å; N30-K50 PolarHBondContact OD1-O 3.47Å; N30-V53 HydrophobicContact CB-CG1 4.32Å; N30-T54 PolarHBondContact ND2-OG1 2.97Å; N30-C75 HydrophobicContact CB-CB 4.24Å; N30-L76 PolarHBondContact N-O 2.89Å; N30-P78 WeakPolarHBondContact O-CD 3.42Å; N30-P78 WeakPolarHBondContact O-CG 3.06Å
31	S	80.1	Confident	83.1	Confident	12 Å²	12	59.6 Å²	59.6	8%	0.084	32%	0.324	C	S	.	.			trans	-168.1	154.9	179.7	175.6	0	0	0	0	108.6	S33 G34	S31-S33 PolarHBondContact O-N 2.94Å; S31-S33 PolarHBondContact OG-N 2.98Å; S31-S33 VanDerWaalsContact OG-N 3.09Å; S31-G34 WeakPolarHBondContact O-CA 3.33Å; S31-G34 PolarHBondContact O-N 3.13Å
32	M	76.4	Confident	83.2	Confident	42 Å²	42	63.6 Å²	63.6	21%	0.207	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-57.3	-26.3	165	-76.7	-64.2	-68	0	0	113.3	G34 H35 R36 K77 E79	M32-G34 PolarHBondContact O-N 3.49Å; M32-G34 VanDerWaalsContact O-N 3.11Å; M32-H35 PolarHBondContact O-N 3.46Å; M32-R36 WeakPolarHBondContact O-CG 3.4Å; M32-R36 PolarHBondContact O-N 2.89Å; M32-K77 HydrophobicContact SD-CD 3.93Å; M32-E79 WeakPolarHBondContact CB-OE1 3.32Å; M32-E79 HydrophobicContact CG-CG 3.93Å; M32-E79 WeakPolarHBondContact CG-OE1 3.45Å; M32-E79 WeakPolarHBondContact CG-OE2 3.5Å
33	S	79.9	Confident	82.9	Confident	13 Å²	13	61.7 Å²	61.7	9%	0.091	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-62.3	-12.8	171	-64.1	0	0	0	0	113.9	S31 H35 R36 S47 Y51	S31-S33 PolarHBondContact O-N 2.94Å; S31-S33 PolarHBondContact OG-N 2.98Å; S31-S33 VanDerWaalsContact OG-N 3.09Å; S33-H35 VanDerWaalsContact C-N 3.34Å; S33-R36 CarbonylContact C-O 3.58Å; S33-R36 VanDerWaalsContact CA-O 3.29Å; S33-R36 WeakPolarHBondContact CA-O 3.49Å; S33-S47 WeakPolarHBondContact O-CA 3.47Å; S33-S47 WeakPolarHBondContact O-CB 3.33Å; S33-Y51 WeakPolarHBondContact O-CD2 3.46Å; S33-Y51 VanDerWaalsContact O-CE2 3.26Å; S33-Y51 WeakPolarHBondContact O-CE2 3.44Å
34	G	82.3	Confident	83.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-87.1	0.6	171.5	0	0	0	0	0	114.8	S31 M32 K50 T54	S31-G34 WeakPolarHBondContact O-CA 3.33Å; S31-G34 PolarHBondContact O-N 3.13Å; M32-G34 PolarHBondContact O-N 3.49Å; M32-G34 VanDerWaalsContact O-N 3.11Å; G34-K50 VanDerWaalsContact CA-C 3.42Å; G34-T54 PolarHBondContact O-OG1 3.38Å
35	H	81.9	Confident	84	Confident	80 Å²	80	68.1 Å²	68.1	37%	0.37	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-12.5	179.2	-58.2	-73	0	0	0	113.5	M32 S33 Y51 K77	M32-H35 PolarHBondContact O-N 3.46Å; S33-H35 VanDerWaalsContact C-N 3.34Å; H35-Y51 PolarHBondContact O-OH 3.33Å; H35-K77 WeakPolarHBondContact NE2-CE 3.27Å
36	R	79.4	Confident	84.3	Confident	130 Å²	130	70.2 Å²	70.2	49%	0.491	37%	0.366	S	S	.	.			trans	-151.6	149.3	172.1	57.3	179.4	-179	-170.8	-1.2	110.5	M32 S33 Y51	M32-R36 WeakPolarHBondContact O-CG 3.4Å; M32-R36 PolarHBondContact O-N 2.89Å; S33-R36 CarbonylContact C-O 3.58Å; S33-R36 VanDerWaalsContact CA-O 3.29Å; S33-R36 WeakPolarHBondContact CA-O 3.49Å; R36-Y51 VanDerWaalsContact CA-OH 3.29Å; R36-Y51 WeakPolarHBondContact CA-OH 3.03Å; R36-Y51 PolarHBondContact N-OH 3.22Å; R36-Y51 VanDerWaalsContact N-OH 3.14Å
37	V	84.8	Confident	84.4	Confident	84 Å²	84	69.6 Å²	69.6	51%	0.509	36%	0.363	S	S	.	.			trans	-99.8	119.4	172.3	-175.6	0	0	0	0	108.4	Y51	V37-Y51 HydrophobicContact CG2-CE2 4.05Å
38	L	76.3	Confident	84.9	Confident	73 Å²	73	68.8 Å²	68.8	38%	0.382	37%	0.368	S	S	.	.			trans	-77.9	147.8	174.9	-63.5	177.5	0	0	0	109.8	L40 H44	L38-L40 PolarHBondContact O-N 3.39Å; L38-H44 PolarHBondContact O-NE2 2.88Å
39	P	86.9	Confident	85.4	Confident	135 Å²	135	70.2 Å²	70.2	88%	0.877	38%	0.377	S	S	*	.	S	Bend	trans	-75.9	51.8	177.2	34.1	-36.8	0	0	0	111.4
40	L	85.1	Confident	85.6	Confident	93 Å²	93	66.2 Å²	66.2	49%	0.487	36%	0.356	S	S	.	.			trans	-127.9	96.9	-178.9	-178	62.7	0	0	0	107.8	L38 V42 T43	L38-L40 PolarHBondContact O-N 3.39Å; L40-V42 HydrophobicContact CD1-CG2 4.15Å; L40-V42 HydrophobicContact CD2-CG2 4.24Å; L40-V42 HydrophobicContact CG-CG2 3.83Å; L40-V42 PolarHBondContact O-N 3.31Å; L40-V42 VanDerWaalsContact O-N 3.09Å; L40-T43 HydrophobicContact CD2-CG2 3.75Å; L40-T43 HydrophobicContact CG-CG2 4.08Å; L40-T43 PolarHBondContact O-N 2.8Å; L40-T43 PolarHBondContact O-OG1 3.26Å
41	S	86.4	Confident	85.9	Confident	91 Å²	91	70.9 Å²	70.9	64%	0.636	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-52.6	-36.8	-167.8	54.9	0	0	0	0	114.4	T43 H44	S41-T43 PolarHBondContact O-N 3.33Å; S41-T43 VanDerWaalsContact O-N 3.09Å; S41-H44 PolarHBondContact O-N 3.06Å
42	V	90.3	Very high	86.6	Confident	124 Å²	124	71.9 Å²	71.9	75%	0.752	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-63.1	-14.9	177.8	-60.2	0	0	0	0	113.7	L40	L40-V42 HydrophobicContact CD1-CG2 4.15Å; L40-V42 HydrophobicContact CD2-CG2 4.24Å; L40-V42 HydrophobicContact CG-CG2 3.83Å; L40-V42 PolarHBondContact O-N 3.31Å; L40-V42 VanDerWaalsContact O-N 3.09Å
43	T	81.4	Confident	87.3	Confident	29 Å²	29	70 Å²	70	18%	0.178	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-108	-2.9	-177.8	68.8	0	0	0	0	114.4	L40 S41 F45 Y46 S47	L40-T43 HydrophobicContact CD2-CG2 3.75Å; L40-T43 HydrophobicContact CG-CG2 4.08Å; L40-T43 PolarHBondContact O-N 2.8Å; L40-T43 PolarHBondContact O-OG1 3.26Å; S41-T43 PolarHBondContact O-N 3.33Å; S41-T43 VanDerWaalsContact O-N 3.09Å; T43-F45 PolarHBondContact O-N 3.17Å; T43-Y46 WeakPolarHBondContact O-CB 3.45Å; T43-Y46 PolarHBondContact O-N 2.87Å; T43-S47 WeakPolarHBondContact O-CB 3.45Å; T43-S47 PolarHBondContact O-N 3.37Å; T43-S47 PolarHBondContact O-OG 3.37Å
44	H	91.9	Very high	87.6	Confident	83 Å²	83	71.1 Å²	71.1	38%	0.384	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-47.6	-174.2	-70.2	173.9	0	0	0	112.7	L38 S41 Y46 S47 A48	L38-H44 PolarHBondContact O-NE2 2.88Å; S41-H44 PolarHBondContact O-N 3.06Å; H44-Y46 PolarHBondContact O-N 3.3Å; H44-S47 WeakPolarHBondContact O-CB 3.46Å; H44-S47 PolarHBondContact O-N 2.89Å; H44-A48 PolarHBondContact O-N 3.12Å
45	F	94.7	Very high	88	Confident	184 Å²	184	74.4 Å²	74.4	81%	0.807	41%	0.407	S	S	*	.	H	α-helix	trans	-65.5	-39.1	176.8	-78.5	-86.6	0	0	0	112.1	T43 S47 A48 T49	T43-F45 PolarHBondContact O-N 3.17Å; F45-S47 VanDerWaalsContact C-N 3.33Å; F45-S47 PolarHBondContact O-N 3.3Å; F45-A48 PolarHBondContact O-N 3.1Å; F45-T49 WeakPolarHBondContact O-CG2 3.33Å; F45-T49 PolarHBondContact O-N 3.31Å; F45-T49 VanDerWaalsContact O-N 3.1Å
46	Y	90.6	Very high	88.6	Confident	92 Å²	92	73.9 Å²	73.9	36%	0.361	41%	0.407	S	S	.	.	H	α-helix	trans	-58.6	-45.8	172.5	171.9	-92.6	0	0	0	111.4	T43 H44 A48 T49 K50	T43-Y46 WeakPolarHBondContact O-CB 3.45Å; T43-Y46 PolarHBondContact O-N 2.87Å; H44-Y46 PolarHBondContact O-N 3.3Å; Y46-A48 VanDerWaalsContact C-N 3.34Å; Y46-A48 PolarHBondContact O-N 3.04Å; Y46-T49 PolarHBondContact O-N 3.42Å; Y46-T49 PolarHBondContact O-OG1 3.41Å; Y46-K50 HydrophobicContact CD1-CG 4.3Å; Y46-K50 HydrophobicContact CE1-CG 3.78Å; Y46-K50 HydrophobicContact CE2-CG 4.25Å; Y46-K50 PolarHBondContact O-N 2.81Å; Y46-K50 VanDerWaalsContact OH-CE 3.28Å; Y46-K50 WeakPolarHBondContact OH-CE 3.47Å
47	S	87	Confident	89	Confident	0 Å²	0	68 Å²	68	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-45.8	178.2	-55.2	0	0	0	0	111	S33 T43 H44 F45 T49 K50 Y51	S33-S47 WeakPolarHBondContact O-CA 3.47Å; S33-S47 WeakPolarHBondContact O-CB 3.33Å; T43-S47 WeakPolarHBondContact O-CB 3.45Å; T43-S47 PolarHBondContact O-N 3.37Å; T43-S47 PolarHBondContact O-OG 3.37Å; H44-S47 WeakPolarHBondContact O-CB 3.46Å; H44-S47 PolarHBondContact O-N 2.89Å; F45-S47 VanDerWaalsContact C-N 3.33Å; F45-S47 PolarHBondContact O-N 3.3Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.43Å; S47-K50 PolarHBondContact O-N 3.3Å; S47-Y51 WeakPolarHBondContact O-CD2 3.25Å; S47-Y51 PolarHBondContact O-N 3.28Å
48	A	94.3	Very high	89.3	Confident	62 Å²	62	67.6 Å²	67.6	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-55.7	-43	173.8	0	0	0	0	0	112.3	H44 F45 Y46 K50 Y51 A52	H44-A48 PolarHBondContact O-N 3.12Å; F45-A48 PolarHBondContact O-N 3.1Å; Y46-A48 VanDerWaalsContact C-N 3.34Å; Y46-A48 PolarHBondContact O-N 3.04Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 3.32Å; A48-Y51 PolarHBondContact O-N 3.06Å; A48-A52 PolarHBondContact O-N 3.24Å
49	T	95.8	Very high	90	Very high	40 Å²	40	65.2 Å²	65.2	25%	0.245	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-31.1	176.2	69.4	0	0	0	0	113.5	N1 V2 F45 Y46 S47 A52 V53	N1-T49 HydrophobicContact CB-CG2 4.36Å; N1-T49 PolarHBondContact ND2-OG1 3.46Å; V2-T49 HydrophobicContact CG2-CG2 4.36Å; F45-T49 WeakPolarHBondContact O-CG2 3.33Å; F45-T49 PolarHBondContact O-N 3.31Å; F45-T49 VanDerWaalsContact O-N 3.1Å; Y46-T49 PolarHBondContact O-N 3.42Å; Y46-T49 PolarHBondContact O-OG1 3.41Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.43Å; T49-A52 WeakPolarHBondContact O-CB 3.45Å; T49-A52 PolarHBondContact O-N 2.98Å; T49-V53 WeakPolarHBondContact O-CG2 3.43Å; T49-V53 PolarHBondContact O-N 3.23Å
50	K	87.3	Confident	90.2	Very high	23 Å²	23	59.6 Å²	59.6	10%	0.1	33%	0.334	C	S	.	.	H	α-helix	trans	-79.3	-32.4	178.4	-72.6	-72.5	179.5	165.3	0	112.2	I29 N30 G34 Y46 S47 A48 A52 V53 T54	I29-K50 PolarHBondContact O-NZ 3.26Å; N30-K50 PolarHBondContact O-NZ 3.29Å; N30-K50 WeakPolarHBondContact OD1-CD 3.31Å; N30-K50 PolarHBondContact OD1-O 3.47Å; G34-K50 VanDerWaalsContact CA-C 3.42Å; Y46-K50 HydrophobicContact CD1-CG 4.3Å; Y46-K50 HydrophobicContact CE1-CG 3.78Å; Y46-K50 HydrophobicContact CE2-CG 4.25Å; Y46-K50 PolarHBondContact O-N 2.81Å; Y46-K50 VanDerWaalsContact OH-CE 3.28Å; Y46-K50 WeakPolarHBondContact OH-CE 3.47Å; S47-K50 PolarHBondContact O-N 3.3Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 3.32Å; K50-A52 VanDerWaalsContact C-N 3.28Å; K50-A52 PolarHBondContact O-N 3.4Å; K50-V53 WeakPolarHBondContact O-CB 3.28Å; K50-V53 PolarHBondContact O-N 3.01Å; K50-V53 VanDerWaalsContact O-N 3.12Å; K50-T54 PolarHBondContact O-N 2.91Å; K50-T54 PolarHBondContact O-OG1 3.08Å
51	Y	91.3	Very high	90.3	Very high	99 Å²	99	59 Å²	59	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-40.3	166.8	-92.6	-96.8	0	0	0	111.4	S33 H35 R36 V37 S47 A48 V53 T54 A55	S33-Y51 WeakPolarHBondContact O-CD2 3.46Å; S33-Y51 VanDerWaalsContact O-CE2 3.26Å; S33-Y51 WeakPolarHBondContact O-CE2 3.44Å; H35-Y51 PolarHBondContact O-OH 3.33Å; R36-Y51 VanDerWaalsContact CA-OH 3.29Å; R36-Y51 WeakPolarHBondContact CA-OH 3.03Å; R36-Y51 PolarHBondContact N-OH 3.22Å; R36-Y51 VanDerWaalsContact N-OH 3.14Å; V37-Y51 HydrophobicContact CG2-CE2 4.05Å; S47-Y51 WeakPolarHBondContact O-CD2 3.25Å; S47-Y51 PolarHBondContact O-N 3.28Å; A48-Y51 PolarHBondContact O-N 3.06Å; Y51-V53 VanDerWaalsContact C-N 3.31Å; Y51-V53 PolarHBondContact O-N 3.37Å; Y51-T54 WeakPolarHBondContact O-CB 3.37Å; Y51-T54 PolarHBondContact O-N 3.33Å; Y51-A55 PolarHBondContact O-N 3.09Å
52	A	95.4	Very high	90.5	Very high	33 Å²	33	59 Å²	59	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-39.9	173	0	0	0	0	0	111.8	V2 A48 T49 K50 T54 A55 L56	V2-A52 HydrophobicContact CG1-CB 4.5Å; V2-A52 HydrophobicContact CG2-CB 3.75Å; A48-A52 PolarHBondContact O-N 3.24Å; T49-A52 WeakPolarHBondContact O-CB 3.45Å; T49-A52 PolarHBondContact O-N 2.98Å; K50-A52 VanDerWaalsContact C-N 3.28Å; K50-A52 PolarHBondContact O-N 3.4Å; A52-T54 VanDerWaalsContact C-N 3.35Å; A52-T54 PolarHBondContact O-N 3.15Å; A52-A55 PolarHBondContact O-N 3.34Å; A52-L56 VanDerWaalsContact O-CB 3.27Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 2.92Å
53	V	90.8	Very high	90.7	Very high	1 Å²	1	59 Å²	59	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-39.7	174.9	175.2	0	0	0	0	112	L5 N28 N30 T49 K50 Y51 T57	L5-V53 HydrophobicContact CD1-CG1 3.97Å; L5-V53 HydrophobicContact CD1-CG2 3.93Å; N28-V53 HydrophobicContact CB-CG1 4.04Å; N30-V53 HydrophobicContact CB-CG1 4.32Å; T49-V53 WeakPolarHBondContact O-CG2 3.43Å; T49-V53 PolarHBondContact O-N 3.23Å; K50-V53 WeakPolarHBondContact O-CB 3.28Å; K50-V53 PolarHBondContact O-N 3.01Å; K50-V53 VanDerWaalsContact O-N 3.12Å; Y51-V53 VanDerWaalsContact C-N 3.31Å; Y51-V53 PolarHBondContact O-N 3.37Å; V53-T57 WeakPolarHBondContact O-CB 3.26Å; V53-T57 PolarHBondContact O-N 2.94Å; V53-T57 PolarHBondContact O-OG1 3.37Å
54	T	86.1	Confident	91.1	Very high	38 Å²	38	57.9 Å²	57.9	23%	0.233	30%	0.299	C	S	.	.	H	α-helix	trans	-57.9	-53.4	173.8	-51.3	0	0	0	0	110.6	N30 G34 K50 Y51 A52 L56 T57 E58	N30-T54 PolarHBondContact ND2-OG1 2.97Å; G34-T54 PolarHBondContact O-OG1 3.38Å; K50-T54 PolarHBondContact O-N 2.91Å; K50-T54 PolarHBondContact O-OG1 3.08Å; Y51-T54 WeakPolarHBondContact O-CB 3.37Å; Y51-T54 PolarHBondContact O-N 3.33Å; A52-T54 VanDerWaalsContact C-N 3.35Å; A52-T54 PolarHBondContact O-N 3.15Å; T54-L56 PolarHBondContact O-N 3.24Å; T54-T57 PolarHBondContact O-N 3.46Å; T54-E58 PolarHBondContact O-N 3.39Å
55	A	91.6	Very high	90.8	Very high	68 Å²	68	63 Å²	63	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-63.8	-42.5	-178.9	0	0	0	0	0	112.4	Y51 A52 T57 E58 G59	Y51-A55 PolarHBondContact O-N 3.09Å; A52-A55 PolarHBondContact O-N 3.34Å; A55-T57 VanDerWaalsContact C-N 3.33Å; A55-T57 PolarHBondContact O-N 3.19Å; A55-E58 PolarHBondContact O-N 2.93Å; A55-G59 PolarHBondContact O-N 2.87Å
56	L	94.2	Very high	90.8	Very high	69 Å²	69	61.6 Å²	61.6	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-36.8	179.1	-76.2	170.1	0	0	0	112.7	V2 A52 T54 G59 L60	V2-L56 HydrophobicContact CG1-CD1 3.7Å; A52-L56 VanDerWaalsContact O-CB 3.27Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 2.92Å; T54-L56 PolarHBondContact O-N 3.24Å; L56-G59 PolarHBondContact O-N 3.26Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 PolarHBondContact O-N 2.94Å
57	T	88.1	Confident	90.8	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-38.6	179.4	-53.5	0	0	0	0	111.4	N28 V53 T54 A55 L60 R61 A73 C75	N28-T57 PolarHBondContact ND2-OG1 3.11Å; V53-T57 WeakPolarHBondContact O-CB 3.26Å; V53-T57 PolarHBondContact O-N 2.94Å; V53-T57 PolarHBondContact O-OG1 3.37Å; T54-T57 PolarHBondContact O-N 3.46Å; A55-T57 VanDerWaalsContact C-N 3.33Å; A55-T57 PolarHBondContact O-N 3.19Å; T57-L60 PolarHBondContact O-N 2.75Å; T57-R61 PolarHBondContact O-N 2.87Å; T57-A73 HydrophobicContact CG2-CB 4.47Å; T57-C75 VanDerWaalsContact CB-SG 3.51Å; T57-C75 HydrophobicContact CG2-CB 4.47Å; T57-C75 PolarHBondContact OG1-SG 3.09Å
58	E	89	Confident	91	Very high	75 Å²	75	67.9 Å²	67.9	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-41.8	173.8	175.4	51.9	-156.4	0	0	111.8	T54 A55 L60 R61 Q62	T54-E58 PolarHBondContact O-N 3.39Å; A55-E58 PolarHBondContact O-N 2.93Å; E58-L60 PolarHBondContact O-N 2.78Å; E58-R61 WeakPolarHBondContact O-CB 3.41Å; E58-R61 PolarHBondContact O-N 2.82Å; E58-R61 IonicContact OE1-CZ 3.49Å; E58-R61 IonicContact OE1-NE 3.46Å; E58-R61 PolarHBondContact OE1-NE 2.7Å; E58-R61 IonicContact OE1-NH2 2.7Å; E58-R61 PolarHBondContact OE1-NH2 2.92Å; E58-R61 IonicContact OE2-CZ 3.64Å; E58-R61 IonicContact OE2-NE 2.82Å; E58-R61 PolarHBondContact OE2-NE 3Å; E58-R61 IonicContact OE2-NH2 3.59Å; E58-Q62 WeakPolarHBondContact O-CG 3.31Å; E58-Q62 PolarHBondContact O-N 3.09Å; E58-Q62 VanDerWaalsContact O-N 3.08Å; E58-Q62 PolarHBondContact OE1-NE2 3.19Å
59	G	92.4	Very high	90.7	Very high	23 Å²	23	66.4 Å²	66.4	24%	0.237	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-47.4	173.1	0	0	0	0	0	112	A55 L56 R61 Q62 E63	A55-G59 PolarHBondContact O-N 2.87Å; L56-G59 PolarHBondContact O-N 3.26Å; G59-R61 VanDerWaalsContact C-N 3.33Å; G59-R61 PolarHBondContact O-N 3.46Å; G59-Q62 WeakPolarHBondContact O-CB 3.27Å; G59-Q62 PolarHBondContact O-N 2.82Å; G59-Q62 VanDerWaalsContact O-N 3.09Å; G59-E63 WeakPolarHBondContact O-CG 3.43Å; G59-E63 PolarHBondContact O-N 2.79Å
60	L	90.3	Very high	90.1	Very high	16 Å²	16	70.7 Å²	70.7	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-43.1	175.9	179.4	65.2	0	0	0	112.1	T9 I26 L56 T57 E58 Q62 E63 L64 A73	T9-L60 HydrophobicContact CG2-CD1 3.84Å; T9-L60 HydrophobicContact CG2-CD2 3.38Å; T9-L60 HydrophobicContact CG2-CG 4.21Å; I26-L60 HydrophobicContact CB-CD2 4.29Å; I26-L60 HydrophobicContact CD1-CD2 4.19Å; I26-L60 HydrophobicContact CG2-CD2 4.09Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 PolarHBondContact O-N 2.94Å; T57-L60 PolarHBondContact O-N 2.75Å; E58-L60 PolarHBondContact O-N 2.78Å; L60-Q62 VanDerWaalsContact C-N 3.25Å; L60-Q62 PolarHBondContact O-N 3.23Å; L60-E63 PolarHBondContact O-N 3.05Å; L60-L64 HydrophobicContact CD1-CD1 4.19Å; L60-L64 HydrophobicContact CD1-CD2 4.46Å; L60-L64 HydrophobicContact CD1-CG 4.1Å; L60-L64 HydrophobicContact CG-CD1 3.93Å; L60-L64 HydrophobicContact CG-CG 4.27Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 VanDerWaalsContact O-CG 3.22Å; L60-L64 WeakPolarHBondContact O-CG 3.38Å; L60-L64 PolarHBondContact O-N 3.2Å; L60-A73 HydrophobicContact CB-CB 4.19Å; L60-A73 HydrophobicContact CD2-CB 3.57Å; L60-A73 HydrophobicContact CG-CB 3.72Å
61	R	87.1	Confident	89.9	Confident	82 Å²	82	70 Å²	70	31%	0.309	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-38.4	176.9	-168.9	-162.6	65.3	72.4	3.5	111.6	T57 E58 G59 R65 A73	T57-R61 PolarHBondContact O-N 2.87Å; E58-R61 WeakPolarHBondContact O-CB 3.41Å; E58-R61 PolarHBondContact O-N 2.82Å; E58-R61 IonicContact OE1-CZ 3.49Å; E58-R61 IonicContact OE1-NE 3.46Å; E58-R61 PolarHBondContact OE1-NE 2.7Å; E58-R61 IonicContact OE1-NH2 2.7Å; E58-R61 PolarHBondContact OE1-NH2 2.92Å; E58-R61 IonicContact OE2-CZ 3.64Å; E58-R61 IonicContact OE2-NE 2.82Å; E58-R61 PolarHBondContact OE2-NE 3Å; E58-R61 IonicContact OE2-NH2 3.59Å; G59-R61 VanDerWaalsContact C-N 3.33Å; G59-R61 PolarHBondContact O-N 3.46Å; R61-R65 PolarHBondContact O-N 3.37Å; R61-A73 HydrophobicContact CB-CB 4.29Å
62	Q	90.3	Very high	89.4	Confident	90 Å²	90	68.4 Å²	68.4	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-68.3	-47.1	175.6	-65.8	173.7	22.4	0	0	111.4	E58 G59 L60 L64 R65 E66	E58-Q62 WeakPolarHBondContact O-CG 3.31Å; E58-Q62 PolarHBondContact O-N 3.09Å; E58-Q62 VanDerWaalsContact O-N 3.08Å; E58-Q62 PolarHBondContact OE1-NE2 3.19Å; G59-Q62 WeakPolarHBondContact O-CB 3.27Å; G59-Q62 PolarHBondContact O-N 2.82Å; G59-Q62 VanDerWaalsContact O-N 3.09Å; L60-Q62 VanDerWaalsContact C-N 3.25Å; L60-Q62 PolarHBondContact O-N 3.23Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.37Å; Q62-R65 WeakPolarHBondContact O-CB 3.45Å; Q62-R65 PolarHBondContact O-N 3.49Å; Q62-R65 VanDerWaalsContact O-N 3.15Å; Q62-E66 WeakPolarHBondContact O-CG 3.49Å; Q62-E66 PolarHBondContact O-N 3.48Å
63	E	95.1	Very high	88.7	Confident	125 Å²	125	67.2 Å²	67.2	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-58.2	-42.8	177.4	-70.6	175.9	-158.6	0	0	112.3	G59 L60 R65 E66 A67	G59-E63 WeakPolarHBondContact O-CG 3.43Å; G59-E63 PolarHBondContact O-N 2.79Å; L60-E63 PolarHBondContact O-N 3.05Å; E63-R65 VanDerWaalsContact C-N 3.32Å; E63-R65 PolarHBondContact O-N 2.8Å; E63-E66 PolarHBondContact O-N 3.49Å; E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 2.81Å
64	L	89.1	Confident	88.3	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-34.9	178.2	-67.7	173.5	0	0	0	112.5	Y13 L60 Q62 Q68 T69 I71 A73	Y13-L64 HydrophobicContact CD2-CD2 3.56Å; Y13-L64 HydrophobicContact CE2-CD2 3.48Å; Y13-L64 VanDerWaalsContact CE2-CD2 3.48Å; Y13-L64 HydrophobicContact CG-CD2 4.46Å; L60-L64 HydrophobicContact CD1-CD1 4.19Å; L60-L64 HydrophobicContact CD1-CD2 4.46Å; L60-L64 HydrophobicContact CD1-CG 4.1Å; L60-L64 HydrophobicContact CG-CD1 3.93Å; L60-L64 HydrophobicContact CG-CG 4.27Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 VanDerWaalsContact O-CG 3.22Å; L60-L64 WeakPolarHBondContact O-CG 3.38Å; L60-L64 PolarHBondContact O-N 3.2Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.37Å; L64-Q68 PolarHBondContact O-N 2.94Å; L64-T69 PolarHBondContact O-N 2.9Å; L64-T69 VanDerWaalsContact O-N 3.12Å; L64-T69 PolarHBondContact O-OG1 2.84Å; L64-I71 HydrophobicContact CD1-CB 4.3Å; L64-I71 HydrophobicContact CD1-CG2 3.9Å; L64-I71 WeakPolarHBondContact CD1-O 3.28Å; L64-I71 HydrophobicContact CD2-CB 4.12Å; L64-I71 HydrophobicContact CD2-CG2 4.08Å; L64-A73 HydrophobicContact CD1-CB 3.83Å
65	R	86.6	Confident	87.8	Confident	190 Å²	190	67.5 Å²	67.5	72%	0.717	34%	0.337	S	S	*	.	H	α-helix	trans	-70	-41.9	174.5	-174.8	-176.5	-177.6	-168.9	3	111.6	R61 Q62 E63 A67 Q68	R61-R65 PolarHBondContact O-N 3.37Å; Q62-R65 WeakPolarHBondContact O-CB 3.45Å; Q62-R65 PolarHBondContact O-N 3.49Å; Q62-R65 VanDerWaalsContact O-N 3.15Å; E63-R65 VanDerWaalsContact C-N 3.32Å; E63-R65 PolarHBondContact O-N 2.8Å; R65-A67 VanDerWaalsContact C-N 3.3Å; R65-Q68 PolarHBondContact O-N 3Å
66	E	94	Very high	86.9	Confident	156 Å²	156	65.4 Å²	65.4	73%	0.729	32%	0.317	S	S	*	.	H	α-helix	trans	-63.5	-37.5	175.1	-73.5	178.5	-175.6	0	0	111.8	Q62 E63 Q68	Q62-E66 WeakPolarHBondContact O-CG 3.49Å; Q62-E66 PolarHBondContact O-N 3.48Å; E63-E66 PolarHBondContact O-N 3.49Å; E66-Q68 PolarHBondContact O-N 3.44Å
67	A	91.9	Very high	85.8	Confident	48 Å²	48	65.3 Å²	65.3	40%	0.397	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.8	172.9	0	0	0	0	0	113.9	E63 R65 T69	E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 2.81Å; R65-A67 VanDerWaalsContact C-N 3.3Å; A67-T69 HydrophobicContact CB-CG2 3.98Å; A67-T69 PolarHBondContact O-N 3.49Å
68	Q	91.1	Very high	85.1	Confident	175 Å²	175	67.3 Å²	67.3	82%	0.818	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.6	-178.4	-54.5	-174.2	-61.7	0	0	113.6	L64 R65 E66	L64-Q68 PolarHBondContact O-N 2.94Å; R65-Q68 PolarHBondContact O-N 3Å; E66-Q68 PolarHBondContact O-N 3.44Å
69	T	88.3	Confident	84.3	Confident	32 Å²	32	67.1 Å²	67.1	20%	0.196	33%	0.326	C	S	.	.			trans	-92.8	154.3	175.4	69.4	0	0	0	0	110.8	D22 L64 A67 I71	D22-T69 WeakPolarHBondContact OD1-CA 3.22Å; D22-T69 WeakPolarHBondContact OD1-CB 3.38Å; L64-T69 PolarHBondContact O-N 2.9Å; L64-T69 VanDerWaalsContact O-N 3.12Å; L64-T69 PolarHBondContact O-OG1 2.84Å; A67-T69 HydrophobicContact CB-CG2 3.98Å; A67-T69 PolarHBondContact O-N 3.49Å; T69-I71 HydrophobicContact CG2-CD1 4.42Å
70	H	83.3	Confident	83.7	Confident	129 Å²	129	69.3 Å²	69.3	60%	0.597	33%	0.332	S	S	*	.			trans	-90.3	11.7	168.8	-56.1	75.2	0	0	0	111.8	D22	D22-H70 CarbonylContact O-C 3.52Å; D22-H70 WeakPolarHBondContact O-CA 3.48Å; D22-H70 WeakPolarHBondContact O-CB 3.43Å; D22-H70 PolarHBondContact O-N 3.41Å; D22-H70 VanDerWaalsContact O-N 3.15Å; D22-H70 PolarHBondContact OD1-N 2.89Å; D22-H70 IonicContact OD1-ND1 3.72Å; D22-H70 IonicContact OD2-CE1 3.61Å; D22-H70 IonicContact OD2-CG 3.7Å; D22-H70 IonicContact OD2-ND1 2.74Å; D22-H70 PolarHBondContact OD2-ND1 3.37Å
71	I	81.6	Confident	83.2	Confident	10 Å²	10	72 Å²	72	5%	0.051	35%	0.349	C	S	.	.			trans	-69.7	132.6	175.8	-59.1	172.7	0	0	0	107.9	Y13 M16 D22 G24 L64 T69	Y13-I71 HydrophobicContact CD2-CD1 4Å; Y13-I71 HydrophobicContact CE2-CD1 4Å; M16-I71 HydrophobicContact CB-CD1 4.04Å; M16-I71 HydrophobicContact SD-CD1 4.14Å; M16-I71 HydrophobicContact SD-CG2 3.96Å; D22-I71 PolarHBondContact O-N 3.06Å; G24-I71 CarbonylContact O-C 3.56Å; G24-I71 VanDerWaalsContact O-CA 3.3Å; G24-I71 WeakPolarHBondContact O-CA 3.42Å; L64-I71 HydrophobicContact CD1-CB 4.3Å; L64-I71 HydrophobicContact CD1-CG2 3.9Å; L64-I71 WeakPolarHBondContact CD1-O 3.28Å; L64-I71 HydrophobicContact CD2-CB 4.12Å; L64-I71 HydrophobicContact CD2-CG2 4.08Å; T69-I71 HydrophobicContact CG2-CD1 4.42Å
72	R	81.4	Confident	83	Confident	65 Å²	65	70.6 Å²	70.6	25%	0.245	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.8	-174.1	-65.6	156.8	-44.5	170.4	-5.6	110.1	G24 H25 I26 Q107	G24-R72 PolarHBondContact O-N 3.17Å; H25-R72 WeakPolarHBondContact CA-O 3.43Å; H25-R72 PolarHBondContact CD2-O 3.2Å; I26-R72 PolarHBondContact N-O 2.87Å; R72-Q107 HydrophobicContact CB-CG 4.13Å; R72-Q107 HydrophobicContact CG-CG 4.13Å; R72-Q107 VanDerWaalsContact CZ-CG 3.49Å; R72-Q107 VanDerWaalsContact NH1-CG 3.25Å
73	A	80.9	Confident	82.6	Confident	7 Å²	7	72.5 Å²	72.5	6%	0.058	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.4	174.9	0	0	0	0	0	108.9	I26 T57 L60 R61 L64	I26-A73 WeakPolarHBondContact O-CA 3.37Å; T57-A73 HydrophobicContact CG2-CB 4.47Å; L60-A73 HydrophobicContact CB-CB 4.19Å; L60-A73 HydrophobicContact CD2-CB 3.57Å; L60-A73 HydrophobicContact CG-CB 3.72Å; R61-A73 HydrophobicContact CB-CB 4.29Å; L64-A73 HydrophobicContact CD1-CB 3.83Å
74	T	81.6	Confident	81.9	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.5	-176.3	63.1	0	0	0	0	112.8	H25 I26 I27 N28 P104	H25-T74 PolarHBondContact CE1-OG1 2.92Å; H25-T74 PolarHBondContact NE2-OG1 3.29Å; I26-T74 PolarHBondContact O-N 3.46Å; I27-T74 WeakPolarHBondContact CA-O 3.45Å; N28-T74 PolarHBondContact N-O 3.11Å; T74-P104 HydrophobicContact CG2-CB 3.79Å; T74-P104 HydrophobicContact CG2-CG 3.91Å
75	C	76.4	Confident	81.5	Confident	36 Å²	36	71 Å²	71	24%	0.243	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.2	168.2	-87.1	0	0	0	0	110.2	N28 N30 T57	N28-C75 WeakPolarHBondContact O-CA 3.41Å; N30-C75 HydrophobicContact CB-CB 4.24Å; T57-C75 VanDerWaalsContact CB-SG 3.51Å; T57-C75 HydrophobicContact CG2-CB 4.47Å; T57-C75 PolarHBondContact OG1-SG 3.09Å
76	L	71.8	Confident	81.5	Confident	24 Å²	24	66.7 Å²	66.7	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.2	161.6	-78	171.6	0	0	0	109.3	I27 N28 N30 P104	I27-L76 HydrophobicContact CG2-CD1 4.03Å; I27-L76 HydrophobicContact CG2-CG 4.32Å; N28-L76 PolarHBondContact O-N 3.19Å; N30-L76 PolarHBondContact N-O 2.89Å; L76-P104 HydrophobicContact CD2-CG 3.81Å; L76-P104 HydrophobicContact CG-CG 4.1Å
77	K	72.2	Confident	81.1	Confident	67 Å²	67	65.9 Å²	65.9	29%	0.291	35%	0.346	S	S	.	.			trans	-87.6	145.7	174.1	-56.7	175.2	-176.1	172.5	0	109.2	M32 H35 E79 D80	M32-K77 HydrophobicContact SD-CD 3.93Å; H35-K77 WeakPolarHBondContact NE2-CE 3.27Å; K77-E79 WeakPolarHBondContact CB-OE2 3.46Å; K77-E79 PolarHBondContact O-N 3.15Å; K77-D80 WeakPolarHBondContact CA-OD2 3.37Å; K77-D80 VanDerWaalsContact CB-OD2 3.27Å; K77-D80 WeakPolarHBondContact CB-OD2 3.45Å; K77-D80 PolarHBondContact N-OD2 3.43Å; K77-D80 WeakPolarHBondContact O-CB 3.37Å; K77-D80 PolarHBondContact O-N 3.27Å
78	P	72.3	Confident	80.4	Confident	51 Å²	51	66 Å²	66	33%	0.331	34%	0.342	S	S	.	.	H	α-helix	trans	-55.6	-31.1	172.3	-24.4	34.1	0	0	0	112.9	N30 D80 V81 A82	N30-P78 WeakPolarHBondContact O-CD 3.42Å; N30-P78 WeakPolarHBondContact O-CG 3.06Å; P78-D80 VanDerWaalsContact C-N 3.34Å; P78-V81 WeakPolarHBondContact O-CB 3.18Å; P78-V81 PolarHBondContact O-N 2.66Å; P78-A82 WeakPolarHBondContact O-CB 3.46Å; P78-A82 PolarHBondContact O-N 3.03Å
79	E	73.4	Confident	79.9	Confident	71 Å²	71	64 Å²	64	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-35.7	176.4	-64.2	75.6	-174.6	0	0	111.8	M32 K77 V81 A82 E83	M32-E79 WeakPolarHBondContact CB-OE1 3.32Å; M32-E79 HydrophobicContact CG-CG 3.93Å; M32-E79 WeakPolarHBondContact CG-OE1 3.45Å; M32-E79 WeakPolarHBondContact CG-OE2 3.5Å; K77-E79 WeakPolarHBondContact CB-OE2 3.46Å; K77-E79 PolarHBondContact O-N 3.15Å; E79-V81 PolarHBondContact O-N 3.06Å; E79-A82 PolarHBondContact O-N 3Å; E79-E83 VanDerWaalsContact O-CB 3.31Å; E79-E83 WeakPolarHBondContact O-CB 3.37Å; E79-E83 VanDerWaalsContact O-CG 3.26Å; E79-E83 WeakPolarHBondContact O-CG 3.29Å; E79-E83 PolarHBondContact O-N 3.48Å
80	D	78.8	Confident	79.9	Confident	69 Å²	69	66.5 Å²	66.5	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-35.5	176.4	-52.3	-37.7	0	0	0	110.7	K77 P78 A84	K77-D80 WeakPolarHBondContact CA-OD2 3.37Å; K77-D80 VanDerWaalsContact CB-OD2 3.27Å; K77-D80 WeakPolarHBondContact CB-OD2 3.45Å; K77-D80 PolarHBondContact N-OD2 3.43Å; K77-D80 WeakPolarHBondContact O-CB 3.37Å; K77-D80 PolarHBondContact O-N 3.27Å; P78-D80 VanDerWaalsContact C-N 3.34Å; D80-A84 PolarHBondContact O-N 3.12Å
81	V	80.4	Confident	80	Confident	73 Å²	73	61.9 Å²	61.9	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-73.6	-43.4	174.3	-176.4	0	0	0	0	111	P78 E79 A84 V85 M102	P78-V81 WeakPolarHBondContact O-CB 3.18Å; P78-V81 PolarHBondContact O-N 2.66Å; E79-V81 PolarHBondContact O-N 3.06Å; V81-A84 PolarHBondContact O-N 3.17Å; V81-V85 WeakPolarHBondContact O-CG2 3.4Å; V81-V85 PolarHBondContact O-N 3.46Å; V81-V85 VanDerWaalsContact O-N 3.12Å; V81-M102 HydrophobicContact CG2-SD 4.19Å
82	A	81.4	Confident	80.4	Confident	52 Å²	52	64.7 Å²	64.7	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-41.7	178.8	0	0	0	0	0	112	P78 E79 A84 V85 I86	P78-A82 WeakPolarHBondContact O-CB 3.46Å; P78-A82 PolarHBondContact O-N 3.03Å; E79-A82 PolarHBondContact O-N 3Å; A82-A84 VanDerWaalsContact C-N 3.32Å; A82-A84 PolarHBondContact O-N 3.43Å; A82-V85 WeakPolarHBondContact O-CB 3.29Å; A82-V85 PolarHBondContact O-N 3.47Å; A82-V85 VanDerWaalsContact O-N 3.1Å; A82-I86 WeakPolarHBondContact O-CG1 3.4Å; A82-I86 PolarHBondContact O-N 3.05Å
83	E	82.2	Confident	80.6	Confident	130 Å²	130	67.1 Å²	67.1	61%	0.607	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-39.7	175.2	-75.6	-64.1	158.3	0	0	111.5	E79 V85 I86 Y87	E79-E83 VanDerWaalsContact O-CB 3.31Å; E79-E83 WeakPolarHBondContact O-CB 3.37Å; E79-E83 VanDerWaalsContact O-CG 3.26Å; E79-E83 WeakPolarHBondContact O-CG 3.29Å; E79-E83 PolarHBondContact O-N 3.48Å; E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 3.21Å; E83-I86 PolarHBondContact O-N 3.39Å; E83-Y87 WeakPolarHBondContact O-CB 3.26Å; E83-Y87 PolarHBondContact O-N 2.89Å
84	A	81.3	Confident	80.9	Confident	16 Å²	16	74.8 Å²	74.8	13%	0.132	42%	0.423	C	S	.	.	H	α-helix	trans	-63.4	-37.5	173.2	0	0	0	0	0	112.5	D80 V81 A82 Y87 V88 I100 M102	D80-A84 PolarHBondContact O-N 3.12Å; V81-A84 PolarHBondContact O-N 3.17Å; A82-A84 VanDerWaalsContact C-N 3.32Å; A82-A84 PolarHBondContact O-N 3.43Å; A84-Y87 WeakPolarHBondContact O-CB 3.18Å; A84-Y87 PolarHBondContact O-N 3.38Å; A84-V88 VanDerWaalsContact O-CG2 3.32Å; A84-V88 WeakPolarHBondContact O-CG2 3.41Å; A84-V88 PolarHBondContact O-N 3.01Å; A84-I100 HydrophobicContact CB-CD1 4.14Å; A84-I100 HydrophobicContact CB-CG2 4.21Å; A84-M102 HydrophobicContact CB-CE 3.18Å
85	V	80.2	Confident	80.3	Confident	80 Å²	80	78.2 Å²	78.2	49%	0.485	44%	0.44	S	S	.	.	H	α-helix	trans	-66	-44.9	174.2	175.4	0	0	0	0	111.1	V81 A82 E83 Y87 V88 L89	V81-V85 WeakPolarHBondContact O-CG2 3.4Å; V81-V85 PolarHBondContact O-N 3.46Å; V81-V85 VanDerWaalsContact O-N 3.12Å; A82-V85 WeakPolarHBondContact O-CB 3.29Å; A82-V85 PolarHBondContact O-N 3.47Å; A82-V85 VanDerWaalsContact O-N 3.1Å; E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 3.21Å; V85-Y87 VanDerWaalsContact C-N 3.29Å; V85-Y87 PolarHBondContact O-N 2.99Å; V85-V88 PolarHBondContact O-N 2.95Å; V85-L89 HydrophobicContact CG1-CD1 4.01Å; V85-L89 HydrophobicContact CG1-CG 4.49Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.1Å
86	I	87.1	Confident	79.9	Confident	100 Å²	100	85.2 Å²	85.2	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-42	175.4	-65.8	-62.4	0	0	0	110.7	A82 E83 L89 S90	A82-I86 WeakPolarHBondContact O-CG1 3.4Å; A82-I86 PolarHBondContact O-N 3.05Å; E83-I86 PolarHBondContact O-N 3.39Å; I86-L89 PolarHBondContact O-N 2.99Å; I86-S90 VanDerWaalsContact O-CB 3.31Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 2.99Å; I86-S90 PolarHBondContact O-OG 3.29Å
87	Y	85.1	Confident	80	Confident	140 Å²	140	86.3 Å²	86.3	55%	0.549	47%	0.474	S	S	.	.	H	α-helix	trans	-57.2	-51.3	176.2	173.5	-110.8	0	0	0	111.5	E83 A84 V85 L89 S90 T91 I97 I100	E83-Y87 WeakPolarHBondContact O-CB 3.26Å; E83-Y87 PolarHBondContact O-N 2.89Å; A84-Y87 WeakPolarHBondContact O-CB 3.18Å; A84-Y87 PolarHBondContact O-N 3.38Å; V85-Y87 VanDerWaalsContact C-N 3.29Å; V85-Y87 PolarHBondContact O-N 2.99Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.35Å; Y87-S90 PolarHBondContact O-N 2.95Å; Y87-S90 VanDerWaalsContact O-N 3.17Å; Y87-S90 PolarHBondContact O-OG 2.74Å; Y87-T91 PolarHBondContact O-N 3.26Å; Y87-I97 HydrophobicContact CD1-CD1 3.71Å; Y87-I97 HydrophobicContact CE1-CD1 3.27Å; Y87-I100 HydrophobicContact CD1-CD1 3.95Å
88	V	78.2	Confident	79.2	Confident	50 Å²	50	86.7 Å²	86.7	30%	0.303	50%	0.497	S	S	.	.	H	α-helix	trans	-53.7	-50.1	175.9	174.6	0	0	0	0	110.9	A84 V85 S90 T91 I97 I100	A84-V88 VanDerWaalsContact O-CG2 3.32Å; A84-V88 WeakPolarHBondContact O-CG2 3.41Å; A84-V88 PolarHBondContact O-N 3.01Å; V85-V88 PolarHBondContact O-N 2.95Å; V88-S90 VanDerWaalsContact C-N 3.29Å; V88-S90 PolarHBondContact O-N 3.14Å; V88-T91 PolarHBondContact O-N 3.46Å; V88-T91 PolarHBondContact O-OG1 2.83Å; V88-I97 HydrophobicContact CG1-CB 4.47Å; V88-I97 HydrophobicContact CG2-CB 4.23Å; V88-I97 HydrophobicContact CG2-CD1 4.17Å; V88-I97 HydrophobicContact CG2-CG2 4.21Å; V88-I100 HydrophobicContact CG2-CD1 3.31Å; V88-I100 HydrophobicContact CG2-CG1 4.24Å
89	L	80.6	Confident	78.4	Confident	134 Å²	134	90.6 Å²	90.6	70%	0.702	52%	0.515	S	S	*	.	H	α-helix	trans	-68.8	-26.5	-176.8	-65.4	174.6	0	0	0	113.5	V85 I86 Y87 T91	V85-L89 HydrophobicContact CG1-CD1 4.01Å; V85-L89 HydrophobicContact CG1-CG 4.49Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.1Å; I86-L89 PolarHBondContact O-N 2.99Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.35Å; L89-T91 VanDerWaalsContact C-N 3.3Å
90	S	87.4	Confident	77.8	Confident	83 Å²	83	90 Å²	90	58%	0.58	51%	0.514	S	S	*	.	H	α-helix	trans	-80.7	-8.7	179.3	73.8	0	0	0	0	114	I86 Y87 V88	I86-S90 VanDerWaalsContact O-CB 3.31Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 2.99Å; I86-S90 PolarHBondContact O-OG 3.29Å; Y87-S90 PolarHBondContact O-N 2.95Å; Y87-S90 VanDerWaalsContact O-N 3.17Å; Y87-S90 PolarHBondContact O-OG 2.74Å; V88-S90 VanDerWaalsContact C-N 3.29Å; V88-S90 PolarHBondContact O-N 3.14Å
91	T	85.6	Confident	77.1	Confident	32 Å²	32	93.3 Å²	93.3	20%	0.196	53%	0.527	C	S	.	.	S	Bend	trans	-67	143.1	179.6	58.1	0	0	0	0	112	Y87 V88 L89 I95 I97	Y87-T91 PolarHBondContact O-N 3.26Å; V88-T91 PolarHBondContact O-N 3.46Å; V88-T91 PolarHBondContact O-OG1 2.83Å; L89-T91 VanDerWaalsContact C-N 3.3Å; T91-I95 HydrophobicContact CG2-CG2 4.28Å; T91-I97 HydrophobicContact CG2-CD1 3.81Å; T91-I97 HydrophobicContact CG2-CG1 4.18Å
92	P	91	Very high	76.7	Confident	69 Å²	69	93 Å²	93	45%	0.448	52%	0.522	S	S	.	.			trans	-54.6	149.4	174	-25.7	33.2	0	0	0	112.5	H94 I95	P92-H94 PolarHBondContact O-N 2.82Å; P92-I95 HydrophobicContact CB-CG1 4.49Å; P92-I95 HydrophobicContact CG-CD1 4.28Å; P92-I95 PolarHBondContact O-N 2.87Å
93	A	84.9	Confident	75.8	Confident	117 Å²	117	97.2 Å²	97.2	97%	0.967	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-13.1	-173	0	0	0	0	0	116.4
94	H	87	Confident	75	Confident	167 Å²	167	92.3 Å²	92.3	77%	0.773	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	0.7	176	65.4	-91.6	0	0	0	113.4	P92	P92-H94 PolarHBondContact O-N 2.82Å
95	I	69.6	Low	74.1	Confident	81 Å²	81	98.4 Å²	98.4	42%	0.415	54%	0.542	S	S	.	.			trans	-106.6	131.7	178.3	-58.2	-167.9	0	0	0	108.7	T91 P92	T91-I95 HydrophobicContact CG2-CG2 4.28Å; P92-I95 HydrophobicContact CB-CG1 4.49Å; P92-I95 HydrophobicContact CG-CD1 4.28Å; P92-I95 PolarHBondContact O-N 2.87Å
96	Q	67.7	Low	73	Confident	184 Å²	184	102 Å²	102	86%	0.86	55%	0.554	S	S	*	*			trans	-121.1	119.1	174.9	-177.8	178.9	-25.3	0	0	109.4
97	I	72.9	Confident	71	Confident	46 Å²	46	98.1 Å²	98.1	24%	0.236	53%	0.533	C	S	.	.			trans	-89.6	112.8	171.3	-57.1	-164.2	0	0	0	108.5	Y87 V88 T91 I100	Y87-I97 HydrophobicContact CD1-CD1 3.71Å; Y87-I97 HydrophobicContact CE1-CD1 3.27Å; V88-I97 HydrophobicContact CG1-CB 4.47Å; V88-I97 HydrophobicContact CG2-CB 4.23Å; V88-I97 HydrophobicContact CG2-CD1 4.17Å; V88-I97 HydrophobicContact CG2-CG2 4.21Å; T91-I97 HydrophobicContact CG2-CD1 3.81Å; T91-I97 HydrophobicContact CG2-CG1 4.18Å; I97-I100 HydrophobicContact CD1-CD1 4.49Å; I97-I100 HydrophobicContact CG2-CD1 4.06Å; I97-I100 HydrophobicContact CG2-CG1 3.59Å
98	G	55.2	Low	68.8	Low	75 Å²	75	97 Å²	97	77%	0.773	54%	0.54	S	S	*	.			trans	-82.7	-30.9	179.5	0	0	0	0	0	114.1
99	D	55.5	Low	67	Low	133 Å²	133	103.5 Å²	103.5	71%	0.711	58%	0.581	S	S	*	*			trans	-155.1	148.1	179.5	-167.7	14.6	0	0	0	110.8
100	I	61.2	Low	66.3	Low	60 Å²	60	102 Å²	102	31%	0.308	58%	0.575	S	S	.	*			trans	-126.8	108.8	170.2	-63.6	-174	0	0	0	108.3	A84 Y87 V88 I97 M102	A84-I100 HydrophobicContact CB-CD1 4.14Å; A84-I100 HydrophobicContact CB-CG2 4.21Å; Y87-I100 HydrophobicContact CD1-CD1 3.95Å; V88-I100 HydrophobicContact CG2-CD1 3.31Å; V88-I100 HydrophobicContact CG2-CG1 4.24Å; I97-I100 HydrophobicContact CD1-CD1 4.49Å; I97-I100 HydrophobicContact CG2-CD1 4.06Å; I97-I100 HydrophobicContact CG2-CG1 3.59Å; I100-M102 HydrophobicContact CG2-CE 4.03Å
101	Q	65	Low	65.2	Low	138 Å²	138	103 Å²	103	65%	0.645	58%	0.575	S	S	*	*			trans	-95.6	111.8	172.2	-168.9	171.1	70.6	0	0	109.8	R103	Q101-R103 VanDerWaalsContact CD-CZ 3.44Å
102	M	71.3	Confident	64.1	Low	66 Å²	66	106.9 Å²	106.9	33%	0.325	60%	0.596	S	S	.	*			trans	-111.6	136.6	176.4	57.6	178.9	64.4	0	0	110.8	V81 A84 I100	V81-M102 HydrophobicContact CG2-SD 4.19Å; A84-M102 HydrophobicContact CB-CE 3.18Å; I100-M102 HydrophobicContact CG2-CE 4.03Å
103	R	63.3	Low	62.5	Low	140 Å²	140	109.2 Å²	109.2	53%	0.528	60%	0.604	S	S	.	*			trans	-138.1	142.3	175.4	-68.3	-171.1	-178.7	86.7	3.7	109.3	Q101	Q101-R103 VanDerWaalsContact CD-CZ 3.44Å
104	P	64.1	Low	61.1	Low	27 Å²	27	108.7 Å²	108.7	18%	0.175	58%	0.582	C	S	.	*			trans	-61.2	137.4	173.8	-29.3	42.8	0	0	0	111.2	T74 L76 E106 Q107	T74-P104 HydrophobicContact CG2-CB 3.79Å; T74-P104 HydrophobicContact CG2-CG 3.91Å; L76-P104 HydrophobicContact CD2-CG 3.81Å; L76-P104 HydrophobicContact CG-CG 4.1Å; P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 PolarHBondContact O-N 3.09Å; P104-Q107 WeakPolarHBondContact O-CB 3.44Å; P104-Q107 PolarHBondContact O-N 3.01Å
105	T	64.1	Low	59.4	Low	145 Å²	145	104.8 Å²	104.8	89%	0.89	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-23.6	-171.9	22.7	0	0	0	0	114.6	Q107	T105-Q107 PolarHBondContact O-N 3.33Å
106	E	56.3	Low	58.6	Low	156 Å²	156	106.5 Å²	106.5	73%	0.729	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-6.5	176.2	-63.4	174.8	178.5	0	0	113	P104 V108	P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 PolarHBondContact O-N 3.09Å; E106-V108 PolarHBondContact O-N 3.09Å
107	Q	45.1	Very low	57.9	Low	17 Å²	17	100.5 Å²	100.5	8%	0.079	56%	0.558	C	S	.	*			trans	-80.3	69.8	175.7	-162.9	-178.7	-15.9	0	0	109.8	H25 R72 P104 T105 T109	H25-Q107 PolarHBondContact CE1-NE2 3.46Å; H25-Q107 PolarHBondContact CE1-OE1 2.77Å; H25-Q107 PolarHBondContact ND1-NE2 3.22Å; H25-Q107 PolarHBondContact ND1-OE1 3.49Å; H25-Q107 PolarHBondContact NE2-OE1 3.37Å; R72-Q107 HydrophobicContact CB-CG 4.13Å; R72-Q107 HydrophobicContact CG-CG 4.13Å; R72-Q107 VanDerWaalsContact CZ-CG 3.49Å; R72-Q107 VanDerWaalsContact NH1-CG 3.25Å; P104-Q107 WeakPolarHBondContact O-CB 3.44Å; P104-Q107 PolarHBondContact O-N 3.01Å; T105-Q107 PolarHBondContact O-N 3.33Å; Q107-T109 PolarHBondContact O-N 3.29Å
108	V	39.8	Very low	56.7	Low	116 Å²	116	105.1 Å²	105.1	70%	0.703	59%	0.585	S	S	*	*			trans	-62.9	130.6	175	-169.2	0	0	0	0	108.8	E106	E106-V108 PolarHBondContact O-N 3.09Å
109	T	39.5	Very low	56.8	Low	188 Å²	188	107.8 Å²	107.8	100%	1.153	57%	0.568	S	S	*	*			trans	-65.1	0	174.2	38.9	0	0	0	0	112.7	Q107	Q107-T109 PolarHBondContact O-N 3.29Å

Retrieved 109 of 109 residues in 200.8 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).