A0A087WX69_HUMAN Loading...

Pyrroline-5-carboxylate reductase 2

AlphaFold DB , UniProt , Accession A0A087WX69, Species HUMAN (Homo sapiens, Human), Gene PYCR2, Length 87 aa.

						>A0A087WX69_HUMAN|A0A087WX69|PYCR2
MNLPTVSALRKMGVNLTRSNKETVKHSDVLFLAVKPHIIPFILDEIGADVQARHIVVSCAAGVTISSVEKKLMAFQPAPKVIRCMTN
					

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	M	53.3	Low	81.9	Confident	142 Å²	142	108.2 Å²	108.2	70%	0.7	58%	0.575	S	S	*	*				0	-2.6	0	-84.8	-165.9	-149.4	0	0	113	R18	M1-R18 VanDerWaalsContact CE-NH2 3.3Å
2	N	59.6	Low	83	Confident	161 Å²	161	111.4 Å²	111.4	86%	0.861	59%	0.588	S	S	*	*			trans	-103.1	39	-177.5	-61.4	-18.7	0	0	0	112.3
3	L	75.8	Confident	83.9	Confident	111 Å²	111	107.5 Å²	107.5	58%	0.581	59%	0.591	S	S	*	*			trans	-78.9	131.2	170.9	-72.4	168.6	0	0	0	107.9	T5 V6 S7	L3-T5 PolarHBondContact O-N 2.83Å; L3-T5 VanDerWaalsContact O-N 3.17Å; L3-V6 HydrophobicContact CB-CB 4.28Å; L3-V6 HydrophobicContact CB-CG2 3.95Å; L3-V6 HydrophobicContact CD1-CG2 4.35Å; L3-V6 PolarHBondContact O-N 2.94Å; L3-S7 PolarHBondContact O-N 3.03Å
4	P	76.7	Confident	84.8	Confident	106 Å²	106	104.7 Å²	104.7	69%	0.688	58%	0.578	S	S	*	*	H	α-helix	trans	-53.9	-38.5	-178.2	-26	32.9	0	0	0	112.7	S7 A8	P4-S7 WeakPolarHBondContact O-CB 3.44Å; P4-S7 PolarHBondContact O-N 2.98Å; P4-A8 PolarHBondContact O-N 2.93Å; P4-A8 VanDerWaalsContact O-N 3.15Å
5	T	83.9	Confident	85.4	Confident	104 Å²	104	108.3 Å²	108.3	64%	0.638	60%	0.596	S	S	*	*	H	α-helix	trans	-65.1	-40.4	178.5	47.5	0	0	0	0	113	L3 A8 L9	L3-T5 PolarHBondContact O-N 2.83Å; L3-T5 VanDerWaalsContact O-N 3.17Å; T5-A8 PolarHBondContact O-N 3.24Å; T5-L9 PolarHBondContact O-N 3.14Å
6	V	90.1	Very high	86	Confident	48 Å²	48	105.9 Å²	105.9	29%	0.291	58%	0.582	S	S	.	*	H	α-helix	trans	-71.5	-34	177	-180	0	0	0	0	111.1	L3 A8 L9 R10 L16	L3-V6 HydrophobicContact CB-CB 4.28Å; L3-V6 HydrophobicContact CB-CG2 3.95Å; L3-V6 HydrophobicContact CD1-CG2 4.35Å; L3-V6 PolarHBondContact O-N 2.94Å; V6-A8 VanDerWaalsContact C-N 3.35Å; V6-L9 PolarHBondContact O-N 3.14Å; V6-R10 PolarHBondContact O-N 2.87Å; V6-R10 VanDerWaalsContact O-N 3.13Å; V6-L16 HydrophobicContact CG1-CD1 3.65Å
7	S	90.5	Very high	86.6	Confident	55 Å²	55	103.1 Å²	103.1	39%	0.385	57%	0.569	S	S	.	*	H	α-helix	trans	-64	-39.1	176.3	-171.6	0	0	0	0	112.1	L3 P4 R10 K11	L3-S7 PolarHBondContact O-N 3.03Å; P4-S7 WeakPolarHBondContact O-CB 3.44Å; P4-S7 PolarHBondContact O-N 2.98Å; S7-R10 PolarHBondContact O-N 3.31Å; S7-K11 PolarHBondContact O-N 2.76Å; S7-K11 VanDerWaalsContact O-N 3.1Å
8	A	92.5	Very high	87	Confident	50 Å²	50	108.7 Å²	108.7	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-61.2	-47.3	175.3	0	0	0	0	0	112.2	P4 T5 V6 R10 K11 M12	P4-A8 PolarHBondContact O-N 2.93Å; P4-A8 VanDerWaalsContact O-N 3.15Å; T5-A8 PolarHBondContact O-N 3.24Å; V6-A8 VanDerWaalsContact C-N 3.35Å; A8-R10 VanDerWaalsContact C-N 3.29Å; A8-R10 PolarHBondContact O-N 2.91Å; A8-K11 WeakPolarHBondContact O-CB 3.39Å; A8-K11 PolarHBondContact O-N 3.12Å; A8-K11 VanDerWaalsContact O-N 3.12Å; A8-M12 WeakPolarHBondContact O-CG 3.32Å; A8-M12 PolarHBondContact O-N 3.39Å; A8-M12 VanDerWaalsContact O-N 3.08Å
9	L	93.9	Very high	87.4	Confident	76 Å²	76	105 Å²	105	40%	0.398	56%	0.563	S	S	.	*	H	α-helix	trans	-60.6	-38.7	177.4	-67.9	172.6	0	0	0	112.4	T5 V6 K11 M12 G13 V14 L16	T5-L9 PolarHBondContact O-N 3.14Å; V6-L9 PolarHBondContact O-N 3.14Å; L9-K11 VanDerWaalsContact C-N 3.35Å; L9-K11 PolarHBondContact O-N 3.25Å; L9-M12 PolarHBondContact O-N 3.06Å; L9-G13 PolarHBondContact O-N 3.28Å; L9-V14 HydrophobicContact CB-CB 4.21Å; L9-V14 HydrophobicContact CB-CG2 4.39Å; L9-V14 HydrophobicContact CD2-CG2 4.19Å; L9-V14 WeakPolarHBondContact O-CB 3.29Å; L9-V14 PolarHBondContact O-N 2.91Å; L9-V14 VanDerWaalsContact O-N 3.09Å; L9-L16 HydrophobicContact CB-CD2 4.18Å; L9-L16 HydrophobicContact CD1-CD2 4.44Å
10	R	91.3	Very high	87.9	Confident	157 Å²	157	102.9 Å²	102.9	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-61.9	-42.3	175.1	-173.6	176.6	-69.7	-121.8	-4.1	111.9	V6 S7 A8 M12 G13 L16	V6-R10 PolarHBondContact O-N 2.87Å; V6-R10 VanDerWaalsContact O-N 3.13Å; S7-R10 PolarHBondContact O-N 3.31Å; A8-R10 VanDerWaalsContact C-N 3.29Å; A8-R10 PolarHBondContact O-N 2.91Å; R10-M12 VanDerWaalsContact C-N 3.25Å; R10-M12 PolarHBondContact O-N 3.01Å; R10-G13 PolarHBondContact O-N 3.34Å; R10-G13 VanDerWaalsContact O-N 3.11Å; R10-L16 HydrophobicContact CB-CD1 3.87Å
11	K	93.7	Very high	88.3	Confident	180 Å²	180	102.2 Å²	102.2	78%	0.783	54%	0.544	S	S	*	.	H	α-helix	trans	-65.9	-28.7	176.7	-71.9	177.6	177.3	-176.8	0	112.7	S7 A8 L9 G13	S7-K11 PolarHBondContact O-N 2.76Å; S7-K11 VanDerWaalsContact O-N 3.1Å; A8-K11 WeakPolarHBondContact O-CB 3.39Å; A8-K11 PolarHBondContact O-N 3.12Å; A8-K11 VanDerWaalsContact O-N 3.12Å; L9-K11 VanDerWaalsContact C-N 3.35Å; L9-K11 PolarHBondContact O-N 3.25Å; K11-G13 PolarHBondContact O-N 3.18Å
12	M	94.8	Very high	90.4	Very high	147 Å²	147	99.9 Å²	99.9	72%	0.724	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.8	174.1	-66.7	174.8	66.5	0	0	113.6	A8 L9 R10 V14	A8-M12 WeakPolarHBondContact O-CG 3.32Å; A8-M12 PolarHBondContact O-N 3.39Å; A8-M12 VanDerWaalsContact O-N 3.08Å; L9-M12 PolarHBondContact O-N 3.06Å; R10-M12 VanDerWaalsContact C-N 3.25Å; R10-M12 PolarHBondContact O-N 3.01Å; M12-V14 HydrophobicContact CB-CG2 4.27Å
13	G	94.9	Very high	92.3	Very high	61 Å²	61	95 Å²	95	63%	0.629	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	18	-177.9	0	0	0	0	0	114.3	L9 R10 K11	L9-G13 PolarHBondContact O-N 3.28Å; R10-G13 PolarHBondContact O-N 3.34Å; R10-G13 VanDerWaalsContact O-N 3.11Å; K11-G13 PolarHBondContact O-N 3.18Å
14	V	95.8	Very high	93.3	Very high	68 Å²	68	89.7 Å²	89.7	41%	0.412	48%	0.48	S	S	.	.			trans	-73.6	135.3	176	-179.1	0	0	0	0	110.2	L9 M12 L16	L9-V14 HydrophobicContact CB-CB 4.21Å; L9-V14 HydrophobicContact CB-CG2 4.39Å; L9-V14 HydrophobicContact CD2-CG2 4.19Å; L9-V14 WeakPolarHBondContact O-CB 3.29Å; L9-V14 PolarHBondContact O-N 2.91Å; L9-V14 VanDerWaalsContact O-N 3.09Å; M12-V14 HydrophobicContact CB-CG2 4.27Å; V14-L16 HydrophobicContact CG1-CD2 4.4Å; V14-L16 PolarHBondContact O-N 2.99Å
15	N	94.9	Very high	94.2	Very high	158 Å²	158	90.5 Å²	90.5	85%	0.845	47%	0.472	S	S	*	.			trans	-69.7	124.4	172.5	-68.6	-32.2	0	0	0	110.3
16	L	95	Very high	94.8	Very high	70 Å²	70	93.1 Å²	93.1	37%	0.366	48%	0.477	S	S	.	.			trans	-115.1	129	-177.7	-61.4	174.6	0	0	0	110.1	V6 L9 R10 V14	V6-L16 HydrophobicContact CG1-CD1 3.65Å; L9-L16 HydrophobicContact CB-CD2 4.18Å; L9-L16 HydrophobicContact CD1-CD2 4.44Å; R10-L16 HydrophobicContact CB-CD1 3.87Å; V14-L16 HydrophobicContact CG1-CD2 4.4Å; V14-L16 PolarHBondContact O-N 2.99Å
17	T	94.9	Very high	95.2	Very high	59 Å²	59	92 Å²	92	36%	0.362	47%	0.472	S	S	.	.			trans	-131.1	160.7	172.7	-179.3	0	0	0	0	110.6	S19 E22 T23	T17-S19 VanDerWaalsContact CG2-O 3.3Å; T17-S19 WeakPolarHBondContact CG2-O 3.49Å; T17-S19 PolarHBondContact OG1-N 3.41Å; T17-E22 WeakPolarHBondContact CB-OE2 3.28Å; T17-E22 HydrophobicContact CG2-CB 4.04Å; T17-E22 PolarHBondContact OG1-OE2 3.19Å; T17-T23 VanDerWaalsContact CG2-OG1 3.28Å; T17-T23 WeakPolarHBondContact CG2-OG1 3.49Å
18	R	93.9	Very high	95.5	Very high	204 Å²	204	94.5 Å²	94.5	77%	0.77	48%	0.48	S	S	*	.	S	Bend	trans	-93	-9.1	169.3	-70.4	177.5	167	160.3	-8.8	112.4	M1	M1-R18 VanDerWaalsContact CE-NH2 3.3Å
19	S	96.1	Very high	95.8	Very high	38 Å²	38	95.5 Å²	95.5	27%	0.266	48%	0.481	S	S	.	.			trans	-103.1	115	-175.1	176.1	0	0	0	0	110.1	T17 K21 E22 T23	T17-S19 VanDerWaalsContact CG2-O 3.3Å; T17-S19 WeakPolarHBondContact CG2-O 3.49Å; T17-S19 PolarHBondContact OG1-N 3.41Å; S19-K21 PolarHBondContact O-N 2.84Å; S19-E22 PolarHBondContact O-N 3.24Å; S19-E22 PolarHBondContact OG-N 3.37Å; S19-T23 PolarHBondContact O-N 3.47Å; S19-T23 PolarHBondContact O-OG1 2.92Å
20	N	97	Very high	96	Very high	62 Å²	62	92.4 Å²	92.4	33%	0.332	47%	0.465	S	S	.	.	H	α-helix	trans	-60.8	-33.1	175.6	-64.9	-33.6	0	0	0	111.2	E22 T23 V24 I42 E45 I46	N20-E22 PolarHBondContact O-N 3.37Å; N20-T23 WeakPolarHBondContact O-CB 3.39Å; N20-T23 PolarHBondContact O-N 2.8Å; N20-V24 WeakPolarHBondContact O-CG2 3.03Å; N20-V24 PolarHBondContact O-N 3.15Å; N20-I42 VanDerWaalsContact ND2-CD1 3.32Å; N20-I42 WeakPolarHBondContact ND2-CD1 3.28Å; N20-E45 PolarHBondContact ND2-OE2 3.09Å; N20-I46 HydrophobicContact CB-CG2 3.66Å
21	K	96.8	Very high	96.3	Very high	89 Å²	89	91 Å²	91	39%	0.387	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-38.8	177.2	-59.2	-173.4	175.1	-171.2	0	112.8	S19 T23 V24 K25 E45 D49	S19-K21 PolarHBondContact O-N 2.84Å; K21-T23 VanDerWaalsContact C-N 3.34Å; K21-V24 PolarHBondContact O-N 3.03Å; K21-K25 WeakPolarHBondContact O-CG 3.37Å; K21-K25 PolarHBondContact O-N 3.22Å; K21-E45 VanDerWaalsContact CE-O 3.26Å; K21-E45 WeakPolarHBondContact CE-O 3.5Å; K21-D49 WeakPolarHBondContact CD-OD2 3.35Å; K21-D49 WeakPolarHBondContact CG-OD2 3.26Å
22	E	97.3	Very high	96.4	Very high	94 Å²	94	82.8 Å²	82.8	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-64.5	-41.5	173.6	-75.1	178.9	-173.6	0	0	111	T17 S19 N20 V24 K25 H26	T17-E22 WeakPolarHBondContact CB-OE2 3.28Å; T17-E22 HydrophobicContact CG2-CB 4.04Å; T17-E22 PolarHBondContact OG1-OE2 3.19Å; S19-E22 PolarHBondContact O-N 3.24Å; S19-E22 PolarHBondContact OG-N 3.37Å; N20-E22 PolarHBondContact O-N 3.37Å; E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.01Å; E22-K25 PolarHBondContact O-N 2.89Å; E22-H26 PolarHBondContact O-N 3.33Å; E22-H26 PolarHBondContact O-ND1 3.38Å
23	T	97.6	Very high	96.5	Very high	57 Å²	57	79.9 Å²	79.9	35%	0.35	43%	0.427	S	S	.	.	H	α-helix	trans	-58	-44.6	175.1	-55	0	0	0	0	111.3	T17 S19 N20 K21 H26 S27 L30	T17-T23 VanDerWaalsContact CG2-OG1 3.28Å; T17-T23 WeakPolarHBondContact CG2-OG1 3.49Å; S19-T23 PolarHBondContact O-N 3.47Å; S19-T23 PolarHBondContact O-OG1 2.92Å; N20-T23 WeakPolarHBondContact O-CB 3.39Å; N20-T23 PolarHBondContact O-N 2.8Å; K21-T23 VanDerWaalsContact C-N 3.34Å; T23-H26 PolarHBondContact O-N 3.16Å; T23-S27 WeakPolarHBondContact O-CB 3.36Å; T23-S27 PolarHBondContact O-N 2.81Å; T23-S27 PolarHBondContact O-OG 2.82Å; T23-L30 HydrophobicContact CG2-CD1 4.12Å
24	V	97.4	Very high	96.5	Very high	1 Å²	1	79.7 Å²	79.7	1%	0.006	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-49.9	176.5	179.4	0	0	0	0	110.8	N20 K21 E22 H26 S27 L30 I46 D49 V50 H54	N20-V24 WeakPolarHBondContact O-CG2 3.03Å; N20-V24 PolarHBondContact O-N 3.15Å; K21-V24 PolarHBondContact O-N 3.03Å; E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.01Å; V24-H26 PolarHBondContact O-N 2.94Å; V24-S27 PolarHBondContact O-N 2.82Å; V24-S27 VanDerWaalsContact O-N 3.12Å; V24-L30 HydrophobicContact CG2-CD1 4.27Å; V24-L30 HydrophobicContact CG2-CD2 3.77Å; V24-I46 HydrophobicContact CG2-CB 3.75Å; V24-I46 HydrophobicContact CG2-CD1 3.68Å; V24-I46 HydrophobicContact CG2-CG1 4.27Å; V24-I46 HydrophobicContact CG2-CG2 3.9Å; V24-D49 HydrophobicContact CB-CB 4.34Å; V24-D49 HydrophobicContact CG1-CB 4Å; V24-V50 HydrophobicContact CG1-CG2 4.25Å; V24-H54 PolarHBondContact O-NE2 3.11Å
25	K	96.4	Very high	96.4	Very high	123 Å²	123	83 Å²	83	54%	0.535	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-31.7	-178.2	-71.9	175	-174.9	-178.7	0	113.8	K21 E22 D49 R53	K21-K25 WeakPolarHBondContact O-CG 3.37Å; K21-K25 PolarHBondContact O-N 3.22Å; E22-K25 PolarHBondContact O-N 2.89Å; K25-D49 WeakPolarHBondContact CE-OD1 3.2Å; K25-D49 IonicContact NZ-OD1 2.75Å; K25-R53 PolarHBondContact O-NH2 2.95Å
26	H	96.6	Very high	96.4	Very high	159 Å²	159	78.2 Å²	78.2	74%	0.736	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	6	-178.9	-64.4	91.4	0	0	0	114.2	E22 T23 V24	E22-H26 PolarHBondContact O-N 3.33Å; E22-H26 PolarHBondContact O-ND1 3.38Å; T23-H26 PolarHBondContact O-N 3.16Å; V24-H26 PolarHBondContact O-N 2.94Å
27	S	97.3	Very high	96.3	Very high	25 Å²	25	80.9 Å²	80.9	18%	0.175	41%	0.41	C	S	.	.			trans	-115.1	144.5	-178.1	-58.3	0	0	0	0	111.6	T23 V24 H54	T23-S27 WeakPolarHBondContact O-CB 3.36Å; T23-S27 PolarHBondContact O-N 2.81Å; T23-S27 PolarHBondContact O-OG 2.82Å; V24-S27 PolarHBondContact O-N 2.82Å; V24-S27 VanDerWaalsContact O-N 3.12Å; S27-H54 PolarHBondContact O-CD2 2.8Å; S27-H54 PolarHBondContact O-NE2 3.37Å
28	D	97.8	Very high	96.4	Very high	106 Å²	106	80.9 Å²	80.9	57%	0.567	41%	0.407	S	S	*	.	S	Bend	trans	-98.6	-34.6	162.1	-63.3	-54.9	0	0	0	111	R53 H54 I55	D28-R53 IonicContact OD1-NE 2.8Å; D28-H54 CarbonylContact O-C 3.56Å; D28-H54 VanDerWaalsContact O-CA 3.29Å; D28-H54 WeakPolarHBondContact O-CA 3.27Å; D28-I55 PolarHBondContact O-N 2.66Å
29	V	98	Very high	96.5	Very high	72 Å²	72	71.3 Å²	71.3	44%	0.436	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.3	172	-176	0	0	0	0	108.5	F31 V57	V29-F31 HydrophobicContact CG1-CD2 4.23Å; V29-F31 HydrophobicContact CG1-CE2 3.7Å; V29-F31 HydrophobicContact CG1-CZ 4.21Å; V29-V57 HydrophobicContact CG1-CG2 3.77Å
30	L	97.8	Very high	96.4	Very high	10 Å²	10	72.2 Å²	72.2	5%	0.052	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.9	-174	-177.3	67.7	0	0	0	110.7	T23 V24 L32 I46 I55 V57	T23-L30 HydrophobicContact CG2-CD1 4.12Å; V24-L30 HydrophobicContact CG2-CD1 4.27Å; V24-L30 HydrophobicContact CG2-CD2 3.77Å; L30-L32 HydrophobicContact CD2-CD2 4.33Å; L30-L32 HydrophobicContact CG-CD2 4.39Å; L30-I46 HydrophobicContact CD2-CD1 3.59Å; L30-I55 PolarHBondContact N-O 2.79Å; L30-V57 PolarHBondContact O-N 3.43Å
31	F	97.8	Very high	96.4	Very high	128 Å²	128	76.3 Å²	76.3	56%	0.561	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.7	175.3	-72.4	-92.4	0	0	0	111.7	V29 A33 V57	V29-F31 HydrophobicContact CG1-CD2 4.23Å; V29-F31 HydrophobicContact CG1-CE2 3.7Å; V29-F31 HydrophobicContact CG1-CZ 4.21Å; F31-A33 PolarHBondContact O-N 3.44Å; F31-V57 CarbonylContact C-O 3.57Å; F31-V57 WeakPolarHBondContact CA-O 3.46Å; F31-V57 HydrophobicContact CD1-CB 3.82Å; F31-V57 HydrophobicContact CD1-CG1 3.8Å; F31-V57 HydrophobicContact CE1-CB 3.95Å; F31-V57 HydrophobicContact CE1-CG1 3.68Å; F31-V57 HydrophobicContact CE1-CG2 4.33Å; F31-V57 HydrophobicContact CG-CB 4.35Å; F31-V57 HydrophobicContact CZ-CG2 4.49Å
32	L	96.7	Very high	96.4	Very high	8 Å²	8	73.2 Å²	73.2	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	86.2	169.6	-52.1	-178.6	0	0	0	109.3	L30 I39 L43 I46 V56 V57 C59	L30-L32 HydrophobicContact CD2-CD2 4.33Å; L30-L32 HydrophobicContact CG-CD2 4.39Å; L32-I39 HydrophobicContact CB-CD1 3.68Å; L32-I39 HydrophobicContact CD1-CD1 4.1Å; L32-I39 HydrophobicContact CG-CD1 4.48Å; L32-L43 HydrophobicContact CD1-CD2 3.93Å; L32-I46 HydrophobicContact CD2-CD1 4.43Å; L32-V56 HydrophobicContact CD1-CG1 3.65Å; L32-V56 HydrophobicContact CD2-CG1 4.43Å; L32-V56 HydrophobicContact CG-CG1 3.87Å; L32-V57 PolarHBondContact N-O 3.09Å; L32-C59 PolarHBondContact O-N 2.85Å
33	A	95.8	Very high	96.4	Very high	85 Å²	85	68.9 Å²	68.9	70%	0.702	36%	0.359	S	S	*	.			trans	-101.7	38.4	-177.6	0	0	0	0	0	113	F31	F31-A33 PolarHBondContact O-N 3.44Å
34	V	95.3	Very high	96.3	Very high	57 Å²	57	69.9 Å²	69.9	35%	0.345	36%	0.362	S	S	.	.	S	Bend	trans	-106.5	168.2	177.4	-60.6	0	0	0	0	111.1	I38 I39 I42	V34-I38 HydrophobicContact CB-CB 4.3Å; V34-I38 HydrophobicContact CB-CG2 4.29Å; V34-I38 HydrophobicContact CG2-CB 4.07Å; V34-I38 HydrophobicContact CG2-CG2 4.13Å; V34-I39 HydrophobicContact CG2-CD1 3.45Å; V34-I39 VanDerWaalsContact CG2-CD1 3.45Å; V34-I39 HydrophobicContact CG2-CG1 4.03Å; V34-I42 HydrophobicContact CG2-CG1 4.36Å
35	K	94.1	Very high	96.3	Very high	139 Å²	139	73.5 Å²	73.5	60%	0.604	38%	0.379	S	S	*	.			trans	-60.8	145.9	176.3	-63.1	-176.7	-178.7	177.3	0	110.8	H37 I38	K35-H37 VanDerWaalsContact C-N 3.32Å; K35-H37 PolarHBondContact O-N 2.57Å; K35-H37 VanDerWaalsContact O-N 3.16Å; K35-I38 HydrophobicContact CB-CD1 3.91Å; K35-I38 HydrophobicContact CB-CG1 4.15Å; K35-I38 HydrophobicContact CG-CD1 4.36Å; K35-I38 WeakPolarHBondContact O-CB 3.34Å; K35-I38 PolarHBondContact O-N 3.04Å
36	P	94.7	Very high	96.3	Very high	56 Å²	56	67.9 Å²	67.9	36%	0.364	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-52.4	-42	-174.4	-31.1	36.7	0	0	0	115.5	I38 I39 A60 A61 V63	P36-I38 PolarHBondContact O-N 3.4Å; P36-I39 WeakPolarHBondContact O-CB 3.36Å; P36-I39 PolarHBondContact O-N 3.02Å; P36-A60 HydrophobicContact CG-CB 4.34Å; P36-A61 WeakPolarHBondContact CB-O 3.47Å; P36-A61 WeakPolarHBondContact CG-O 3.43Å; P36-V63 HydrophobicContact CB-CG2 3.89Å
37	H	94	Very high	96.2	Very high	126 Å²	126	60.3 Å²	60.3	58%	0.583	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.5	180	60.1	-94.4	0	0	0	114	K35 F41	K35-H37 VanDerWaalsContact C-N 3.32Å; K35-H37 PolarHBondContact O-N 2.57Å; K35-H37 VanDerWaalsContact O-N 3.16Å; H37-F41 WeakPolarHBondContact O-CD2 3.36Å; H37-F41 WeakPolarHBondContact O-CE2 3.32Å
38	I	96.1	Very high	96.1	Very high	59 Å²	59	62.9 Å²	62.9	30%	0.303	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-86.4	-23.6	179.3	-56.9	177.9	0	0	0	110.9	V34 K35 P36 F41 I42	V34-I38 HydrophobicContact CB-CB 4.3Å; V34-I38 HydrophobicContact CB-CG2 4.29Å; V34-I38 HydrophobicContact CG2-CB 4.07Å; V34-I38 HydrophobicContact CG2-CG2 4.13Å; K35-I38 HydrophobicContact CB-CD1 3.91Å; K35-I38 HydrophobicContact CB-CG1 4.15Å; K35-I38 HydrophobicContact CG-CD1 4.36Å; K35-I38 WeakPolarHBondContact O-CB 3.34Å; K35-I38 PolarHBondContact O-N 3.04Å; P36-I38 PolarHBondContact O-N 3.4Å; I38-F41 PolarHBondContact O-N 3.48Å; I38-F41 VanDerWaalsContact O-N 3.14Å; I38-I42 HydrophobicContact CG2-CD1 4.27Å; I38-I42 HydrophobicContact CG2-CG1 3.81Å; I38-I42 PolarHBondContact O-N 3.28Å
39	I	95.9	Very high	96.1	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-52.8	-47.7	-174.9	-65.7	-72.7	0	0	0	113.3	L32 V34 P36 F41 I42 L43 A60 V63 V68	L32-I39 HydrophobicContact CB-CD1 3.68Å; L32-I39 HydrophobicContact CD1-CD1 4.1Å; L32-I39 HydrophobicContact CG-CD1 4.48Å; V34-I39 HydrophobicContact CG2-CD1 3.45Å; V34-I39 VanDerWaalsContact CG2-CD1 3.45Å; V34-I39 HydrophobicContact CG2-CG1 4.03Å; P36-I39 WeakPolarHBondContact O-CB 3.36Å; P36-I39 PolarHBondContact O-N 3.02Å; I39-F41 VanDerWaalsContact C-N 3.28Å; I39-F41 PolarHBondContact O-N 3.19Å; I39-I42 PolarHBondContact O-N 3.49Å; I39-L43 HydrophobicContact CG2-CD1 3.65Å; I39-L43 HydrophobicContact CG2-CG 4.03Å; I39-L43 WeakPolarHBondContact O-CG 3.3Å; I39-L43 PolarHBondContact O-N 3.18Å; I39-A60 HydrophobicContact CD1-CB 3.93Å; I39-A60 HydrophobicContact CG1-CB 3.72Å; I39-V63 HydrophobicContact CG1-CG2 4.27Å; I39-V63 HydrophobicContact CG2-CG1 4.24Å; I39-V68 HydrophobicContact CG2-CG2 4.37Å
40	P	94.8	Very high	96	Very high	57 Å²	57	56.2 Å²	56.2	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-40.7	-178.8	-24.7	35.4	0	0	0	113	L43 D44	P40-L43 PolarHBondContact O-N 3.35Å; P40-D44 VanDerWaalsContact O-CG 3.29Å; P40-D44 PolarHBondContact O-N 3.27Å; P40-D44 VanDerWaalsContact O-N 3.08Å
41	F	96.3	Very high	95.9	Very high	149 Å²	149	61 Å²	61	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-67	-40.6	179.7	-57.8	-80.6	0	0	0	112	H37 I38 I39 D44 E45	H37-F41 WeakPolarHBondContact O-CD2 3.36Å; H37-F41 WeakPolarHBondContact O-CE2 3.32Å; I38-F41 PolarHBondContact O-N 3.48Å; I38-F41 VanDerWaalsContact O-N 3.14Å; I39-F41 VanDerWaalsContact C-N 3.28Å; I39-F41 PolarHBondContact O-N 3.19Å; F41-D44 PolarHBondContact O-N 3.25Å; F41-E45 WeakPolarHBondContact O-CB 3.41Å; F41-E45 PolarHBondContact O-N 2.94Å
42	I	96.9	Very high	95.8	Very high	23 Å²	23	57.6 Å²	57.6	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-47.4	176.7	-62.4	-64.3	0	0	0	110	N20 V34 I38 I39 D44 E45 I46	N20-I42 VanDerWaalsContact ND2-CD1 3.32Å; N20-I42 WeakPolarHBondContact ND2-CD1 3.28Å; V34-I42 HydrophobicContact CG2-CG1 4.36Å; I38-I42 HydrophobicContact CG2-CD1 4.27Å; I38-I42 HydrophobicContact CG2-CG1 3.81Å; I38-I42 PolarHBondContact O-N 3.28Å; I39-I42 PolarHBondContact O-N 3.49Å; I42-D44 VanDerWaalsContact C-N 3.26Å; I42-D44 PolarHBondContact O-N 3.44Å; I42-E45 WeakPolarHBondContact O-CA 3.35Å; I42-E45 WeakPolarHBondContact O-CB 3.25Å; I42-E45 PolarHBondContact O-N 2.89Å; I42-I46 HydrophobicContact CG2-CD1 4.11Å; I42-I46 HydrophobicContact CG2-CG1 4.17Å; I42-I46 HydrophobicContact CG2-CG2 4.37Å; I42-I46 VanDerWaalsContact O-CG1 3.25Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 3.45Å
43	L	96.3	Very high	95.8	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-37.1	180	-65.9	175.6	0	0	0	112.4	L32 I39 P40 G47 V68 K71 L72	L32-L43 HydrophobicContact CD1-CD2 3.93Å; I39-L43 HydrophobicContact CG2-CD1 3.65Å; I39-L43 HydrophobicContact CG2-CG 4.03Å; I39-L43 WeakPolarHBondContact O-CG 3.3Å; I39-L43 PolarHBondContact O-N 3.18Å; P40-L43 PolarHBondContact O-N 3.35Å; L43-G47 VanDerWaalsContact O-CA 3.27Å; L43-G47 WeakPolarHBondContact O-CA 3.19Å; L43-G47 PolarHBondContact O-N 3.24Å; L43-V68 HydrophobicContact CD1-CB 4.19Å; L43-V68 HydrophobicContact CD1-CG1 3.95Å; L43-V68 HydrophobicContact CD1-CG2 4.21Å; L43-V68 HydrophobicContact CD2-CG1 4.06Å; L43-K71 HydrophobicContact CB-CB 4.13Å; L43-K71 HydrophobicContact CD1-CB 3.94Å; L43-K71 HydrophobicContact CD1-CG 4.37Å; L43-L72 HydrophobicContact CD2-CD1 4.28Å; L43-L72 HydrophobicContact CD2-CD2 3.91Å; L43-L72 HydrophobicContact CD2-CG 4.05Å
44	D	96.3	Very high	95.9	Very high	78 Å²	78	57.8 Å²	57.8	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-34.9	173.7	-68	-23.1	0	0	0	111.9	P40 F41 I42 K71	P40-D44 VanDerWaalsContact O-CG 3.29Å; P40-D44 PolarHBondContact O-N 3.27Å; P40-D44 VanDerWaalsContact O-N 3.08Å; F41-D44 PolarHBondContact O-N 3.25Å; I42-D44 VanDerWaalsContact C-N 3.26Å; I42-D44 PolarHBondContact O-N 3.44Å; D44-K71 WeakPolarHBondContact OD1-CD 3.5Å; D44-K71 IonicContact OD1-NZ 3.65Å; D44-K71 PolarHBondContact OD1-NZ 3.48Å; D44-K71 IonicContact OD2-NZ 3.62Å; D44-K71 PolarHBondContact OD2-NZ 3.12Å
45	E	97.1	Very high	96.1	Very high	77 Å²	77	57.9 Å²	57.9	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-71.3	-46.2	178.2	-173.1	-166.4	165.9	0	0	112.9	N20 K21 F41 I42	N20-E45 PolarHBondContact ND2-OE2 3.09Å; K21-E45 VanDerWaalsContact CE-O 3.26Å; K21-E45 WeakPolarHBondContact CE-O 3.5Å; F41-E45 WeakPolarHBondContact O-CB 3.41Å; F41-E45 PolarHBondContact O-N 2.94Å; I42-E45 WeakPolarHBondContact O-CA 3.35Å; I42-E45 WeakPolarHBondContact O-CB 3.25Å; I42-E45 PolarHBondContact O-N 2.89Å
46	I	96.6	Very high	96.2	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-98.3	-11.3	-171.2	68.8	161.2	0	0	0	113.9	N20 V24 L30 L32 I42 A48 D49 V50	N20-I46 HydrophobicContact CB-CG2 3.66Å; V24-I46 HydrophobicContact CG2-CB 3.75Å; V24-I46 HydrophobicContact CG2-CD1 3.68Å; V24-I46 HydrophobicContact CG2-CG1 4.27Å; V24-I46 HydrophobicContact CG2-CG2 3.9Å; L30-I46 HydrophobicContact CD2-CD1 3.59Å; L32-I46 HydrophobicContact CD2-CD1 4.43Å; I42-I46 HydrophobicContact CG2-CD1 4.11Å; I42-I46 HydrophobicContact CG2-CG1 4.17Å; I42-I46 HydrophobicContact CG2-CG2 4.37Å; I42-I46 VanDerWaalsContact O-CG1 3.25Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 3.45Å; I46-A48 VanDerWaalsContact C-N 3.26Å; I46-A48 PolarHBondContact O-N 3.25Å; I46-A48 VanDerWaalsContact O-N 3.16Å; I46-D49 PolarHBondContact O-N 3.36Å; I46-V50 HydrophobicContact CD1-CG2 4.33Å; I46-V50 HydrophobicContact CG1-CG2 4.46Å; I46-V50 PolarHBondContact O-N 2.98Å
47	G	95.2	Very high	96.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-53.9	-40.9	-169.5	0	0	0	0	0	113.6	L43 D49 V50 F75	L43-G47 VanDerWaalsContact O-CA 3.27Å; L43-G47 WeakPolarHBondContact O-CA 3.19Å; L43-G47 PolarHBondContact O-N 3.24Å; G47-D49 VanDerWaalsContact C-N 3.27Å; G47-D49 PolarHBondContact O-N 2.87Å; G47-V50 PolarHBondContact O-N 3.03Å; G47-F75 WeakPolarHBondContact O-CB 3.11Å
48	A	95.9	Very high	96.5	Very high	79 Å²	79	43.4 Å²	43.4	65%	0.653	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67	-23.2	178	0	0	0	0	0	114.2	I46 F75	I46-A48 VanDerWaalsContact C-N 3.26Å; I46-A48 PolarHBondContact O-N 3.25Å; I46-A48 VanDerWaalsContact O-N 3.16Å; A48-F75 HydrophobicContact CB-CD1 4.01Å; A48-F75 HydrophobicContact CB-CE1 4.34Å
49	D	96.8	Very high	96.4	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.16	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-88.7	-10	177.9	-65.4	-79.2	0	0	0	112.1	K21 V24 K25 I46 G47 Q51	K21-D49 WeakPolarHBondContact CD-OD2 3.35Å; K21-D49 WeakPolarHBondContact CG-OD2 3.26Å; V24-D49 HydrophobicContact CB-CB 4.34Å; V24-D49 HydrophobicContact CG1-CB 4Å; K25-D49 WeakPolarHBondContact CE-OD1 3.2Å; K25-D49 IonicContact NZ-OD1 2.75Å; I46-D49 PolarHBondContact O-N 3.36Å; G47-D49 VanDerWaalsContact C-N 3.27Å; G47-D49 PolarHBondContact O-N 2.87Å; D49-Q51 PolarHBondContact O-N 3.31Å
50	V	96.4	Very high	96.1	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	23%	0.232	C	C	.	.			trans	-78.4	105.4	179.8	179.8	0	0	0	0	111.3	V24 I46 G47 H54 V56 L72 Q76	V24-V50 HydrophobicContact CG1-CG2 4.25Å; I46-V50 HydrophobicContact CD1-CG2 4.33Å; I46-V50 HydrophobicContact CG1-CG2 4.46Å; I46-V50 PolarHBondContact O-N 2.98Å; G47-V50 PolarHBondContact O-N 3.03Å; V50-H54 HydrophobicContact CG1-CB 4.32Å; V50-V56 HydrophobicContact CG1-CG2 4.39Å; V50-L72 HydrophobicContact CG2-CD2 4.14Å; V50-Q76 PolarHBondContact O-NE2 2.9Å; V50-Q76 VanDerWaalsContact O-NE2 3.14Å
51	Q	96.1	Very high	95.8	Very high	110 Å²	110	43.4 Å²	43.4	51%	0.514	25%	0.245	S	C	.	.			trans	-93.8	165.3	174.8	-55.6	-176.1	-0.3	0	0	113.2	D49 R53 H54	D49-Q51 PolarHBondContact O-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.43Å; Q51-H54 WeakPolarHBondContact CA-ND1 3.46Å; Q51-H54 PolarHBondContact N-CE1 3.11Å; Q51-H54 VanDerWaalsContact N-CE1 3.34Å; Q51-H54 PolarHBondContact N-ND1 2.75Å; Q51-H54 PolarHBondContact O-N 3.46Å; Q51-H54 PolarHBondContact O-ND1 3.08Å
52	A	95.3	Very high	95.4	Very high	57 Å²	57	39.4 Å²	39.4	47%	0.471	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.6	-178.6	0	0	0	0	0	115.5	H54 K80	A52-H54 VanDerWaalsContact C-N 3.34Å; A52-K80 WeakPolarHBondContact O-CE 3.45Å; A52-K80 PolarHBondContact O-NZ 3.48Å
53	R	96.6	Very high	95.3	Very high	95 Å²	95	39 Å²	39	36%	0.358	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.8	174.1	75.7	175.2	-167.6	-86.2	-2.9	112.9	K25 D28 Q51	K25-R53 PolarHBondContact O-NH2 2.95Å; D28-R53 IonicContact OD1-NE 2.8Å; Q51-R53 PolarHBondContact O-N 3.43Å
54	H	98.1	Very high	95.2	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	26%	0.264	C	S	.	.			trans	-76.3	140	-171.5	-56.4	93.8	0	0	0	111.6	V24 S27 D28 V50 Q51 A52	V24-H54 PolarHBondContact O-NE2 3.11Å; S27-H54 PolarHBondContact O-CD2 2.8Å; S27-H54 PolarHBondContact O-NE2 3.37Å; D28-H54 CarbonylContact O-C 3.56Å; D28-H54 VanDerWaalsContact O-CA 3.29Å; D28-H54 WeakPolarHBondContact O-CA 3.27Å; V50-H54 HydrophobicContact CG1-CB 4.32Å; Q51-H54 WeakPolarHBondContact CA-ND1 3.46Å; Q51-H54 PolarHBondContact N-CE1 3.11Å; Q51-H54 VanDerWaalsContact N-CE1 3.34Å; Q51-H54 PolarHBondContact N-ND1 2.75Å; Q51-H54 PolarHBondContact O-N 3.46Å; Q51-H54 PolarHBondContact O-ND1 3.08Å; A52-H54 VanDerWaalsContact C-N 3.34Å
55	I	98.1	Very high	95.2	Very high	59 Å²	59	41.7 Å²	41.7	30%	0.303	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.1	166.3	-58.6	173.9	0	0	0	107.5	D28 L30 V57 K80 I82	D28-I55 PolarHBondContact O-N 2.66Å; L30-I55 PolarHBondContact N-O 2.79Å; I55-V57 HydrophobicContact CG2-CG2 4.26Å; I55-K80 HydrophobicContact CG1-CD 4.32Å; I55-I82 HydrophobicContact CG2-CD1 3.74Å; I55-I82 HydrophobicContact CG2-CG1 4.23Å
56	V	97.6	Very high	95.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.4	179.8	-176.6	0	0	0	0	109.2	L32 V50 V68 L72 K80 V81 I82	L32-V56 HydrophobicContact CD1-CG1 3.65Å; L32-V56 HydrophobicContact CD2-CG1 4.43Å; L32-V56 HydrophobicContact CG-CG1 3.87Å; V50-V56 HydrophobicContact CG1-CG2 4.39Å; V56-V68 HydrophobicContact CG1-CG1 4.5Å; V56-L72 HydrophobicContact CB-CD1 4.48Å; V56-L72 HydrophobicContact CG1-CD1 4.48Å; V56-L72 HydrophobicContact CG2-CD1 4.01Å; V56-K80 PolarHBondContact N-O 3.23Å; V56-V81 HydrophobicContact CB-CG2 4.41Å; V56-V81 CarbonylContact O-C 3.56Å; V56-V81 WeakPolarHBondContact O-CA 3.35Å; V56-I82 PolarHBondContact O-N 3.32Å
57	V	97.8	Very high	95.1	Very high	12 Å²	12	44.1 Å²	44.1	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.4	177.6	-173.8	0	0	0	0	109.1	V29 L30 F31 L32 I55 I82 C84	V29-V57 HydrophobicContact CG1-CG2 3.77Å; L30-V57 PolarHBondContact O-N 3.43Å; F31-V57 CarbonylContact C-O 3.57Å; F31-V57 WeakPolarHBondContact CA-O 3.46Å; F31-V57 HydrophobicContact CD1-CB 3.82Å; F31-V57 HydrophobicContact CD1-CG1 3.8Å; F31-V57 HydrophobicContact CE1-CB 3.95Å; F31-V57 HydrophobicContact CE1-CG1 3.68Å; F31-V57 HydrophobicContact CE1-CG2 4.33Å; F31-V57 HydrophobicContact CG-CB 4.35Å; F31-V57 HydrophobicContact CZ-CG2 4.49Å; L32-V57 PolarHBondContact N-O 3.09Å; I55-V57 HydrophobicContact CG2-CG2 4.26Å; V57-I82 CarbonylContact C-O 3.53Å; V57-I82 WeakPolarHBondContact CA-O 3.39Å; V57-I82 HydrophobicContact CG2-CB 4.44Å; V57-C84 HydrophobicContact CG1-CB 3.82Å
58	S	96.1	Very high	95.1	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.8	177.1	-175.3	0	0	0	0	111.1	I82 C84	S58-I82 PolarHBondContact N-O 3.04Å; S58-C84 PolarHBondContact O-N 3.17Å
59	C	93.9	Very high	95.1	Very high	39 Å²	39	43.6 Å²	43.6	26%	0.264	27%	0.271	S	S	.	.			trans	-98.7	4.7	174.1	-60	0	0	0	0	112.5	L32 A61	L32-C59 PolarHBondContact O-N 2.85Å; C59-A61 PolarHBondContact O-N 2.81Å
60	A	90.1	Very high	95.1	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.033	30%	0.296	C	S	.	.			trans	-75.9	119	-175.4	0	0	0	0	0	111.6	P36 I39 G62 V63	P36-A60 HydrophobicContact CG-CB 4.34Å; I39-A60 HydrophobicContact CD1-CB 3.93Å; I39-A60 HydrophobicContact CG1-CB 3.72Å; A60-G62 PolarHBondContact O-N 3.3Å; A60-V63 HydrophobicContact CB-CB 4.03Å; A60-V63 HydrophobicContact CB-CG2 3.54Å; A60-V63 PolarHBondContact O-N 3.28Å
61	A	88.4	Confident	95	Very high	76 Å²	76	53 Å²	53	63%	0.628	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	135.2	177.2	0	0	0	0	0	111.8	P36 C59 V63	P36-A61 WeakPolarHBondContact CB-O 3.47Å; P36-A61 WeakPolarHBondContact CG-O 3.43Å; C59-A61 PolarHBondContact O-N 2.81Å; A61-V63 PolarHBondContact O-N 3.37Å
62	G	88.9	Confident	95	Very high	66 Å²	66	47.8 Å²	47.8	68%	0.68	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-2.5	178.9	0	0	0	0	0	115.6	A60	A60-G62 PolarHBondContact O-N 3.3Å
63	V	93.7	Very high	95	Very high	14 Å²	14	50 Å²	50	9%	0.085	29%	0.287	C	S	.	.			trans	-85.8	122.4	175.2	-177	0	0	0	0	109.3	P36 I39 A60 A61 V68 R83	P36-V63 HydrophobicContact CB-CG2 3.89Å; I39-V63 HydrophobicContact CG1-CG2 4.27Å; I39-V63 HydrophobicContact CG2-CG1 4.24Å; A60-V63 HydrophobicContact CB-CB 4.03Å; A60-V63 HydrophobicContact CB-CG2 3.54Å; A60-V63 PolarHBondContact O-N 3.28Å; A61-V63 PolarHBondContact O-N 3.37Å; V63-V68 HydrophobicContact CG1-CG2 3.63Å; V63-R83 WeakPolarHBondContact O-CD 3.47Å; V63-R83 PolarHBondContact O-NE 3.05Å
64	T	95.3	Very high	94.9	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	30%	0.301	S	S	.	.			trans	-80	153	179.5	64.1	0	0	0	0	110.9	S66 S67	T64-S66 VanDerWaalsContact C-N 3.27Å; T64-S66 PolarHBondContact O-N 3.28Å; T64-S67 PolarHBondContact O-N 3.41Å; T64-S67 PolarHBondContact O-OG 3.19Å; T64-S67 PolarHBondContact OG1-N 2.98Å; T64-S67 PolarHBondContact OG1-OG 3.28Å
65	I	96.4	Very high	94.7	Very high	67 Å²	67	53.6 Å²	53.6	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-45.6	173.2	-65.6	172.5	0	0	0	109.7	S67 V68 E69 V81 R83	I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.81Å; I65-V68 PolarHBondContact O-N 3.14Å; I65-V68 VanDerWaalsContact O-N 3.09Å; I65-E69 VanDerWaalsContact CG2-CD 3.48Å; I65-E69 HydrophobicContact CG2-CG 3.93Å; I65-E69 WeakPolarHBondContact CG2-OE1 3.4Å; I65-E69 PolarHBondContact O-N 3.08Å; I65-V81 HydrophobicContact CG2-CB 4.24Å; I65-V81 HydrophobicContact CG2-CG1 4.12Å; I65-R83 HydrophobicContact CD1-CB 3.82Å; I65-R83 HydrophobicContact CG1-CB 3.49Å; I65-R83 VanDerWaalsContact CG1-CB 3.49Å
66	S	96.1	Very high	94.4	Very high	81 Å²	81	52.5 Å²	52.5	57%	0.566	31%	0.314	S	S	*	.	H	α-helix	trans	-57	-37.8	-179.5	178.3	0	0	0	0	113.6	T64 K70	T64-S66 VanDerWaalsContact C-N 3.27Å; T64-S66 PolarHBondContact O-N 3.28Å; S66-K70 WeakPolarHBondContact O-CB 3.4Å; S66-K70 PolarHBondContact O-N 3.1Å
67	S	94.9	Very high	94.1	Very high	52 Å²	52	57.8 Å²	57.8	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-69.1	-36.5	178.9	69.4	0	0	0	0	112.3	T64 I65 K71	T64-S67 PolarHBondContact O-N 3.41Å; T64-S67 PolarHBondContact O-OG 3.19Å; T64-S67 PolarHBondContact OG1-N 2.98Å; T64-S67 PolarHBondContact OG1-OG 3.28Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.81Å; S67-K71 PolarHBondContact O-N 3.2Å
68	V	95.6	Very high	93.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-70.3	-49.6	176.4	178.1	0	0	0	0	110.6	I39 L43 V56 V63 I65 K70 K71 L72 V81	I39-V68 HydrophobicContact CG2-CG2 4.37Å; L43-V68 HydrophobicContact CD1-CB 4.19Å; L43-V68 HydrophobicContact CD1-CG1 3.95Å; L43-V68 HydrophobicContact CD1-CG2 4.21Å; L43-V68 HydrophobicContact CD2-CG1 4.06Å; V56-V68 HydrophobicContact CG1-CG1 4.5Å; V63-V68 HydrophobicContact CG1-CG2 3.63Å; I65-V68 PolarHBondContact O-N 3.14Å; I65-V68 VanDerWaalsContact O-N 3.09Å; V68-K70 PolarHBondContact O-N 3.41Å; V68-K71 PolarHBondContact O-N 3.2Å; V68-L72 HydrophobicContact CG1-CD1 3.88Å; V68-L72 HydrophobicContact CG1-CG 4.47Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.35Å; V68-V81 HydrophobicContact CB-CG1 4.17Å; V68-V81 HydrophobicContact CG1-CG1 3.88Å; V68-V81 HydrophobicContact CG1-CG2 4.09Å
69	E	95.9	Very high	93.9	Very high	67 Å²	67	61.4 Å²	61.4	31%	0.313	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-46	178.3	-73.7	179.2	157.4	0	0	111.5	I65 K71 L72 M73 P79 V81	I65-E69 VanDerWaalsContact CG2-CD 3.48Å; I65-E69 HydrophobicContact CG2-CG 3.93Å; I65-E69 WeakPolarHBondContact CG2-OE1 3.4Å; I65-E69 PolarHBondContact O-N 3.08Å; E69-K71 PolarHBondContact O-N 3.43Å; E69-L72 PolarHBondContact O-N 3.13Å; E69-L72 VanDerWaalsContact O-N 3.11Å; E69-M73 WeakPolarHBondContact O-CB 3.32Å; E69-M73 VanDerWaalsContact O-CG 3.28Å; E69-M73 WeakPolarHBondContact O-CG 3.45Å; E69-M73 PolarHBondContact O-N 3.42Å; E69-P79 HydrophobicContact CB-CG 4.42Å; E69-P79 HydrophobicContact CG-CG 4.38Å; E69-V81 HydrophobicContact CG-CB 3.92Å; E69-V81 HydrophobicContact CG-CG2 3.63Å
70	K	95.9	Very high	94.1	Very high	158 Å²	158	64.9 Å²	64.9	69%	0.687	39%	0.388	S	S	*	.	H	α-helix	trans	-56.3	-39	179.5	-174.6	176.1	-178.6	178.4	0	112.6	S66 V68 M73	S66-K70 WeakPolarHBondContact O-CB 3.4Å; S66-K70 PolarHBondContact O-N 3.1Å; V68-K70 PolarHBondContact O-N 3.41Å; K70-M73 HydrophobicContact CB-CE 4.42Å
71	K	95.2	Very high	94.5	Very high	77 Å²	77	65.6 Å²	65.6	34%	0.335	39%	0.392	S	S	.	.	H	α-helix	trans	-71.1	-45.6	176.3	-79.7	-70.7	-159.7	159.6	0	111.8	L43 D44 S67 V68 E69 M73 A74	L43-K71 HydrophobicContact CB-CB 4.13Å; L43-K71 HydrophobicContact CD1-CB 3.94Å; L43-K71 HydrophobicContact CD1-CG 4.37Å; D44-K71 WeakPolarHBondContact OD1-CD 3.5Å; D44-K71 IonicContact OD1-NZ 3.65Å; D44-K71 PolarHBondContact OD1-NZ 3.48Å; D44-K71 IonicContact OD2-NZ 3.62Å; D44-K71 PolarHBondContact OD2-NZ 3.12Å; S67-K71 PolarHBondContact O-N 3.2Å; V68-K71 PolarHBondContact O-N 3.2Å; E69-K71 PolarHBondContact O-N 3.43Å; K71-M73 VanDerWaalsContact C-N 3.34Å; K71-M73 PolarHBondContact O-N 3.21Å; K71-A74 WeakPolarHBondContact O-CB 3.49Å; K71-A74 PolarHBondContact O-N 3.24Å
72	L	95.3	Very high	94.9	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-70.2	-29	-178.8	-69.6	176.7	0	0	0	113.4	L43 V50 V56 V68 E69 A74 F75 Q76 P79 V81	L43-L72 HydrophobicContact CD2-CD1 4.28Å; L43-L72 HydrophobicContact CD2-CD2 3.91Å; L43-L72 HydrophobicContact CD2-CG 4.05Å; V50-L72 HydrophobicContact CG2-CD2 4.14Å; V56-L72 HydrophobicContact CB-CD1 4.48Å; V56-L72 HydrophobicContact CG1-CD1 4.48Å; V56-L72 HydrophobicContact CG2-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CD1 3.88Å; V68-L72 HydrophobicContact CG1-CG 4.47Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.35Å; E69-L72 PolarHBondContact O-N 3.13Å; E69-L72 VanDerWaalsContact O-N 3.11Å; L72-A74 PolarHBondContact O-N 3.35Å; L72-A74 VanDerWaalsContact O-N 3.15Å; L72-F75 PolarHBondContact O-N 3.44Å; L72-Q76 PolarHBondContact O-N 3.45Å; L72-P79 HydrophobicContact CB-CB 3.72Å; L72-P79 HydrophobicContact CB-CG 3.94Å; L72-P79 HydrophobicContact CD1-CB 4.05Å; L72-V81 HydrophobicContact CD1-CG2 4.05Å
73	M	95.7	Very high	95.2	Very high	104 Å²	104	69.1 Å²	69.1	51%	0.512	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.2	176.6	-79.4	-171.5	-62.5	0	0	113.8	E69 K70 K71 F75 Q76 P79	E69-M73 WeakPolarHBondContact O-CB 3.32Å; E69-M73 VanDerWaalsContact O-CG 3.28Å; E69-M73 WeakPolarHBondContact O-CG 3.45Å; E69-M73 PolarHBondContact O-N 3.42Å; K70-M73 HydrophobicContact CB-CE 4.42Å; K71-M73 VanDerWaalsContact C-N 3.34Å; K71-M73 PolarHBondContact O-N 3.21Å; M73-F75 PolarHBondContact O-N 3.37Å; M73-Q76 WeakPolarHBondContact CA-O 3.43Å; M73-P79 HydrophobicContact CG-CG 3.97Å
74	A	94.2	Very high	95.3	Very high	80 Å²	80	70.8 Å²	70.8	66%	0.661	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.9	171.5	0	0	0	0	0	113.2	K71 L72	K71-A74 WeakPolarHBondContact O-CB 3.49Å; K71-A74 PolarHBondContact O-N 3.24Å; L72-A74 PolarHBondContact O-N 3.35Å; L72-A74 VanDerWaalsContact O-N 3.15Å
75	F	93.4	Very high	95.2	Very high	94 Å²	94	75.1 Å²	75.1	41%	0.412	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-31.8	-175.5	-53.5	-81.8	0	0	0	113.1	G47 A48 L72 M73	G47-F75 WeakPolarHBondContact O-CB 3.11Å; A48-F75 HydrophobicContact CB-CD1 4.01Å; A48-F75 HydrophobicContact CB-CE1 4.34Å; L72-F75 PolarHBondContact O-N 3.44Å; M73-F75 PolarHBondContact O-N 3.37Å
76	Q	91.7	Very high	94.8	Very high	36 Å²	36	76.7 Å²	76.7	17%	0.168	42%	0.416	C	S	.	.			trans	-134.7	116.7	-176.7	-179.8	62.3	-104.1	0	0	109.5	V50 L72 M73 A78 P79	V50-Q76 PolarHBondContact O-NE2 2.9Å; V50-Q76 VanDerWaalsContact O-NE2 3.14Å; L72-Q76 PolarHBondContact O-N 3.45Å; M73-Q76 WeakPolarHBondContact CA-O 3.43Å; Q76-A78 VanDerWaalsContact C-N 3.25Å; Q76-A78 PolarHBondContact O-N 3.16Å; Q76-A78 VanDerWaalsContact O-N 3.14Å; Q76-P79 WeakPolarHBondContact O-CD 3.36Å
77	P	91.2	Very high	94.2	Very high	112 Å²	112	83.4 Å²	83.4	73%	0.727	45%	0.446	S	S	*	.	S	Bend	trans	-59.2	-28.6	-174.5	19.6	-35.1	0	0	0	115.4
78	A	94.5	Very high	94.2	Very high	73 Å²	73	85 Å²	85	60%	0.603	45%	0.45	S	S	*	.	S	Bend	trans	-135.4	75.9	-179.2	0	0	0	0	0	111	Q76	Q76-A78 VanDerWaalsContact C-N 3.25Å; Q76-A78 PolarHBondContact O-N 3.16Å; Q76-A78 VanDerWaalsContact O-N 3.14Å
79	P	96.3	Very high	94.1	Very high	17 Å²	17	89.4 Å²	89.4	11%	0.11	47%	0.474	C	S	.	.			trans	-73	133.9	-179.3	30.6	-31.2	0	0	0	110.6	E69 L72 M73 Q76 V81	E69-P79 HydrophobicContact CB-CG 4.42Å; E69-P79 HydrophobicContact CG-CG 4.38Å; L72-P79 HydrophobicContact CB-CB 3.72Å; L72-P79 HydrophobicContact CB-CG 3.94Å; L72-P79 HydrophobicContact CD1-CB 4.05Å; M73-P79 HydrophobicContact CG-CG 3.97Å; Q76-P79 WeakPolarHBondContact O-CD 3.36Å; P79-V81 HydrophobicContact CB-CG2 4.22Å; P79-V81 PolarHBondContact O-N 3.15Å
80	K	97.6	Very high	94	Very high	112 Å²	112	90.7 Å²	90.7	49%	0.487	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.9	175.7	-64.5	170.2	-177	164.5	0	109.1	A52 I55 V56	A52-K80 WeakPolarHBondContact O-CE 3.45Å; A52-K80 PolarHBondContact O-NZ 3.48Å; I55-K80 HydrophobicContact CG1-CD 4.32Å; V56-K80 PolarHBondContact N-O 3.23Å
81	V	97.6	Very high	93.9	Very high	19 Å²	19	86.7 Å²	86.7	12%	0.115	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.6	-176.9	-174.6	0	0	0	0	110.9	V56 I65 V68 E69 L72 P79	V56-V81 HydrophobicContact CB-CG2 4.41Å; V56-V81 CarbonylContact O-C 3.56Å; V56-V81 WeakPolarHBondContact O-CA 3.35Å; I65-V81 HydrophobicContact CG2-CB 4.24Å; I65-V81 HydrophobicContact CG2-CG1 4.12Å; V68-V81 HydrophobicContact CB-CG1 4.17Å; V68-V81 HydrophobicContact CG1-CG1 3.88Å; V68-V81 HydrophobicContact CG1-CG2 4.09Å; E69-V81 HydrophobicContact CG-CB 3.92Å; E69-V81 HydrophobicContact CG-CG2 3.63Å; L72-V81 HydrophobicContact CD1-CG2 4.05Å; P79-V81 HydrophobicContact CB-CG2 4.22Å; P79-V81 PolarHBondContact O-N 3.15Å
82	I	97.4	Very high	93.8	Very high	90 Å²	90	87.3 Å²	87.3	46%	0.462	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	172	-62.6	175.1	0	0	0	107.7	I55 V56 V57 S58	I55-I82 HydrophobicContact CG2-CD1 3.74Å; I55-I82 HydrophobicContact CG2-CG1 4.23Å; V56-I82 PolarHBondContact O-N 3.32Å; V57-I82 CarbonylContact C-O 3.53Å; V57-I82 WeakPolarHBondContact CA-O 3.39Å; V57-I82 HydrophobicContact CG2-CB 4.44Å; S58-I82 PolarHBondContact N-O 3.04Å
83	R	96.4	Very high	93.7	Very high	127 Å²	127	93.1 Å²	93.1	48%	0.479	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.2	168.7	178.7	178.6	175.2	-168.4	-1.3	109.6	V63 I65	V63-R83 WeakPolarHBondContact O-CD 3.47Å; V63-R83 PolarHBondContact O-NE 3.05Å; I65-R83 HydrophobicContact CD1-CB 3.82Å; I65-R83 HydrophobicContact CG1-CB 3.49Å; I65-R83 VanDerWaalsContact CG1-CB 3.49Å
84	C	94.2	Very high	93.6	Very high	48 Å²	48	92.3 Å²	92.3	32%	0.324	51%	0.511	S	S	.	.			trans	-120.3	150.8	176.9	-175.7	0	0	0	0	109.9	V57 S58	V57-C84 HydrophobicContact CG1-CB 3.82Å; S58-C84 PolarHBondContact O-N 3.17Å
85	M	93.5	Very high	93.5	Very high	163 Å²	163	93.2 Å²	93.2	80%	0.803	50%	0.499	S	S	*	.			trans	-132.5	122.2	167.4	-166.2	-73	-69.2	0	0	106.3
86	T	88.9	Confident	93.5	Very high	99 Å²	99	93.2 Å²	93.2	61%	0.607	51%	0.506	S	S	*	.			trans	-122.6	166.7	-177.6	-168	0	0	0	0	109.7
87	N	83.3	Confident	93.7	Very high	222 Å²	222	98.4 Å²	98.4	100%	1.187	54%	0.537	S	S	*	.			trans	-99.7	0	-171.1	61.5	-23	0	0	0	114.2

Retrieved 87 of 87 residues in 166.5 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).