A0A059PXT9_HUMAN Loading...

O-6-methylguanine-DNA methyltransferase

AlphaFold DB , UniProt , Accession A0A059PXT9, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 113 aa.

						>A0A059PXT9_HUMAN|A0A059PXT9
MDKDCEMKRTTLDSPLGKLELSGCEQGLHEIKLLGKGTSAADAVEVPAPAAVLGGPEPLMQCTAWLNAYFHQPEAIEEFPVPAFHHPVFQQESFTRQVLWKLLKVVKFGEVIS
					

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	38	Very low	81.2	Confident	243 Å²	243	111.8 Å²	111.8	100%	1.197	55%	0.546	S	S	*	.				0	101.7	0	-79.1	151.7	135.2	0	0	105.3	K3	M1-K3 PolarHBondContact O-N 2.94Å
2	D	55.1	Low	82	Confident	139 Å²	139	102.8 Å²	102.8	74%	0.743	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-55.8	122.6	165.3	-96	-52.5	0	0	0	106.2	D4	D2-D4 PolarHBondContact O-N 2.61Å
3	K	62.1	Low	82.5	Confident	168 Å²	168	99.4 Å²	99.4	73%	0.73	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-59.2	131.9	163.5	-80.5	-178	171.3	179.2	0	105.5	M1 C5	M1-K3 PolarHBondContact O-N 2.94Å; K3-C5 PolarHBondContact O-N 3Å; K3-C5 VanDerWaalsContact O-N 3.13Å
4	D	79.2	Confident	83	Confident	157 Å²	157	92.4 Å²	92.4	84%	0.84	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-51.5	125.6	177.6	-69.6	-53.9	0	0	0	109.2	D2 E6	D2-D4 PolarHBondContact O-N 2.61Å; D4-E6 PolarHBondContact O-N 3.42Å
5	C	92.3	Very high	83.5	Confident	59 Å²	59	89.4 Å²	89.4	40%	0.399	44%	0.444	S	S	.	.			trans	-70.7	79.5	-178.9	177.3	0	0	0	0	109.6	K3 M7 C24 H29	K3-C5 PolarHBondContact O-N 3Å; K3-C5 VanDerWaalsContact O-N 3.13Å; C5-M7 PolarHBondContact O-N 3.16Å; C5-M7 VanDerWaalsContact O-N 3.17Å; C5-C24 VanDerWaalsContact SG-SG 3.67Å; C5-H29 PolarHBondContact SG-CE1 3.14Å; C5-H29 PolarHBondContact SG-NE2 3.35Å; C5-H29 VanDerWaalsContact SG-NE2 3.42Å
6	E	94.3	Very high	83.7	Confident	126 Å²	126	89.9 Å²	89.9	59%	0.589	45%	0.448	S	S	*	.			trans	-75.5	104.1	-179.4	-165.7	-173.9	161.8	0	0	110.6	D4 K8 C24	D4-E6 PolarHBondContact O-N 3.42Å; E6-K8 PolarHBondContact O-N 2.96Å; E6-K8 WeakPolarHBondContact OE1-CE 3.28Å; E6-K8 IonicContact OE1-NZ 3.52Å; E6-K8 PolarHBondContact OE1-NZ 3.38Å; E6-C24 VanDerWaalsContact O-CB 3.22Å; E6-C24 WeakPolarHBondContact O-CB 3.16Å
7	M	95.3	Very high	84	Confident	60 Å²	60	85 Å²	85	30%	0.296	43%	0.426	S	S	.	.			trans	-73.5	125.3	-176.5	-170.6	63.8	62.2	0	0	112.2	C5 G23 H29	C5-M7 PolarHBondContact O-N 3.16Å; C5-M7 VanDerWaalsContact O-N 3.17Å; M7-G23 PolarHBondContact SD-N 3.42Å; M7-H29 HydrophobicContact CE-CB 3.94Å; M7-H29 HydrophobicContact SD-CB 4.24Å
8	K	95.4	Very high	84.4	Confident	84 Å²	84	85.6 Å²	85.6	37%	0.365	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	154.9	169	-57.9	-63.1	178.9	-174.6	0	110	E6 S22 G23 P56 L59	E6-K8 PolarHBondContact O-N 2.96Å; E6-K8 WeakPolarHBondContact OE1-CE 3.28Å; E6-K8 IonicContact OE1-NZ 3.52Å; E6-K8 PolarHBondContact OE1-NZ 3.38Å; K8-S22 VanDerWaalsContact O-CA 3.3Å; K8-S22 WeakPolarHBondContact O-CA 3.2Å; K8-G23 PolarHBondContact N-O 3.09Å; K8-G23 PolarHBondContact O-N 3.49Å; K8-P56 HydrophobicContact CB-CG 4.14Å; K8-P56 HydrophobicContact CG-CG 4.21Å; K8-L59 HydrophobicContact CB-CD1 3.89Å
9	R	95.3	Very high	84.9	Confident	146 Å²	146	81.3 Å²	81.3	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.8	179.9	-65.8	-179.3	-178.3	75.2	2.1	110.4	L21	R9-L21 CarbonylContact C-O 3.56Å; R9-L21 VanDerWaalsContact CA-O 3.26Å; R9-L21 WeakPolarHBondContact CA-O 3.33Å
10	T	93.6	Very high	85.4	Confident	11 Å²	11	79.7 Å²	79.7	7%	0.067	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.7	168.4	-170	0	0	0	0	109.3	L21 V52	T10-L21 HydrophobicContact CG2-CB 3.93Å; T10-L21 HydrophobicContact CG2-CD1 4.16Å; T10-L21 HydrophobicContact CG2-CG 4.36Å; T10-L21 PolarHBondContact N-O 3.07Å; T10-L21 PolarHBondContact O-N 3.34Å; T10-V52 PolarHBondContact OG1-N 3.32Å
11	T	92.6	Very high	86	Confident	37 Å²	37	75.9 Å²	75.9	23%	0.227	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.6	175.7	58.4	0	0	0	0	110.3	K18 L19 A51	T11-K18 HydrophobicContact CG2-CD 4.31Å; T11-L19 CarbonylContact C-O 3.55Å; T11-L19 VanDerWaalsContact CA-O 3.25Å; T11-L19 WeakPolarHBondContact CA-O 3.25Å; T11-A51 PolarHBondContact O-N 3.37Å; T11-A51 VanDerWaalsContact OG1-CB 3.26Å; T11-A51 WeakPolarHBondContact OG1-CB 3.5Å
12	L	90.6	Very high	88.8	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.5	178.2	177.1	64.3	0	0	0	108.7	L19 L21 A48 T63 L66	L12-L19 PolarHBondContact N-O 3.21Å; L12-L19 PolarHBondContact O-N 2.88Å; L12-L21 HydrophobicContact CB-CD1 4.44Å; L12-A48 WeakPolarHBondContact CD1-O 3.41Å; L12-T63 HydrophobicContact CD1-CG2 4.26Å; L12-T63 HydrophobicContact CD2-CG2 4.45Å; L12-L66 HydrophobicContact CD2-CB 3.74Å; L12-L66 HydrophobicContact CD2-CD1 4.08Å
13	D	88.9	Confident	90.8	Very high	58 Å²	58	58 Å²	58	31%	0.31	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.3	169.3	-62.7	-52.9	0	0	0	109.4	K18 V44 A48	D13-K18 WeakPolarHBondContact OD1-CE 3.38Å; D13-V44 HydrophobicContact CB-CG2 4.44Å; D13-A48 HydrophobicContact CB-CB 3.82Å
14	S	89.6	Confident	92.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	168.8	-176.6	77.9	0	0	0	0	110.9	L16 G17	S14-L16 PolarHBondContact O-N 3.09Å; S14-L16 PolarHBondContact OG-N 3.06Å; S14-L16 VanDerWaalsContact OG-N 3.13Å; S14-G17 PolarHBondContact N-O 3.29Å; S14-G17 VanDerWaalsContact N-O 3.09Å; S14-G17 WeakPolarHBondContact O-CA 3.4Å; S14-G17 PolarHBondContact O-N 3.43Å; S14-G17 PolarHBondContact OG-O 3.04Å
15	P	89.7	Confident	93.1	Very high	48 Å²	48	49.2 Å²	49.2	31%	0.312	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-19	170.2	-27.1	36.6	0	0	0	114.2	G17 F70	P15-G17 VanDerWaalsContact C-N 3.33Å; P15-F70 HydrophobicContact CB-CD1 4.38Å; P15-F70 HydrophobicContact CG-CB 4.06Å; P15-F70 HydrophobicContact CG-CD1 3.88Å; P15-F70 HydrophobicContact CG-CG 4.04Å
16	L	87.9	Confident	93.3	Very high	97 Å²	97	49.9 Å²	49.9	51%	0.508	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.3	175	-57.4	-179	0	0	0	113.2	S14 L33 F70	S14-L16 PolarHBondContact O-N 3.09Å; S14-L16 PolarHBondContact OG-N 3.06Å; S14-L16 VanDerWaalsContact OG-N 3.13Å; L16-L33 HydrophobicContact CB-CD2 4.49Å; L16-L33 HydrophobicContact CD1-CD2 4.41Å; L16-F70 HydrophobicContact CD1-CE1 4.05Å; L16-F70 HydrophobicContact CD1-CZ 3.84Å; L16-F70 HydrophobicContact CG-CE1 3.99Å; L16-F70 HydrophobicContact CG-CZ 4.04Å
17	G	88.8	Confident	93.4	Very high	7 Å²	7	43.9 Å²	43.9	7%	0.072	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.6	-164.4	-169.7	0	0	0	0	0	112.5	S14 P15 L19	S14-G17 PolarHBondContact N-O 3.29Å; S14-G17 VanDerWaalsContact N-O 3.09Å; S14-G17 WeakPolarHBondContact O-CA 3.4Å; S14-G17 PolarHBondContact O-N 3.43Å; S14-G17 PolarHBondContact OG-O 3.04Å; P15-G17 VanDerWaalsContact C-N 3.33Å; G17-L19 PolarHBondContact O-N 2.97Å
18	K	91.1	Very high	93.6	Very high	95 Å²	95	41.3 Å²	41.3	41%	0.413	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127	-175.7	-169	169.4	-72.9	-178.1	0	111.9	T11 D13 L34	T11-K18 HydrophobicContact CG2-CD 4.31Å; D13-K18 WeakPolarHBondContact OD1-CE 3.38Å; K18-L34 HydrophobicContact CD-CD1 4.38Å; K18-L34 HydrophobicContact CG-CD1 4.25Å; K18-L34 WeakPolarHBondContact O-CB 3.43Å; K18-L34 PolarHBondContact O-N 2.9Å
19	L	93.6	Very high	93.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133	173.4	-52.6	177.9	0	0	0	109.4	T11 L12 G17 L21 K32 L33 L66 F70	T11-L19 CarbonylContact C-O 3.55Å; T11-L19 VanDerWaalsContact CA-O 3.25Å; T11-L19 WeakPolarHBondContact CA-O 3.25Å; L12-L19 PolarHBondContact N-O 3.21Å; L12-L19 PolarHBondContact O-N 2.88Å; G17-L19 PolarHBondContact O-N 2.97Å; L19-L21 HydrophobicContact CB-CD2 4.39Å; L19-K32 CarbonylContact C-O 3.55Å; L19-K32 WeakPolarHBondContact CA-O 3.47Å; L19-L33 HydrophobicContact CD2-CB 4.36Å; L19-L33 HydrophobicContact CD2-CD1 3.89Å; L19-L33 HydrophobicContact CD2-CG 3.61Å; L19-L66 HydrophobicContact CD1-CD1 4.11Å; L19-F70 HydrophobicContact CD1-CE2 4.15Å
20	E	95.6	Very high	93.8	Very high	49 Å²	49	36.2 Å²	36.2	23%	0.229	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.5	165.8	179.6	177.9	74.1	0	0	108.9	K32 L34	E20-K32 HydrophobicContact CB-CB 4.33Å; E20-K32 PolarHBondContact N-O 3.01Å; E20-K32 PolarHBondContact O-N 3.08Å; E20-L34 HydrophobicContact CB-CD1 3.98Å; E20-L34 HydrophobicContact CB-CD2 3.96Å; E20-L34 HydrophobicContact CB-CG 3.97Å
21	L	96.5	Very high	94	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.2	175.7	-47.9	-179.5	0	0	0	108	R9 T10 L12 L19 I31 L59 L66	R9-L21 CarbonylContact C-O 3.56Å; R9-L21 VanDerWaalsContact CA-O 3.26Å; R9-L21 WeakPolarHBondContact CA-O 3.33Å; T10-L21 HydrophobicContact CG2-CB 3.93Å; T10-L21 HydrophobicContact CG2-CD1 4.16Å; T10-L21 HydrophobicContact CG2-CG 4.36Å; T10-L21 PolarHBondContact N-O 3.07Å; T10-L21 PolarHBondContact O-N 3.34Å; L12-L21 HydrophobicContact CB-CD1 4.44Å; L19-L21 HydrophobicContact CB-CD2 4.39Å; L21-I31 HydrophobicContact CD2-CB 4.18Å; L21-I31 HydrophobicContact CD2-CG1 3.96Å; L21-I31 HydrophobicContact CD2-CG2 3.75Å; L21-L59 HydrophobicContact CB-CD2 3.77Å; L21-L66 HydrophobicContact CD1-CD1 4.05Å; L21-L66 HydrophobicContact CD2-CD1 3.55Å; L21-L66 HydrophobicContact CG-CD1 4.45Å
22	S	96.7	Very high	94.2	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.2	176.9	73.6	0	0	0	0	111.9	K8 L28 H29 E30	K8-S22 VanDerWaalsContact O-CA 3.3Å; K8-S22 WeakPolarHBondContact O-CA 3.2Å; S22-L28 WeakPolarHBondContact O-CD1 3.36Å; S22-H29 WeakPolarHBondContact O-CA 3.29Å; S22-H29 WeakPolarHBondContact O-CB 3.35Å; S22-H29 PolarHBondContact O-N 3.36Å; S22-E30 PolarHBondContact N-O 3.35Å; S22-E30 PolarHBondContact O-N 3.49Å; S22-E30 VanDerWaalsContact O-N 3.13Å; S22-E30 WeakPolarHBondContact OG-CB 3.43Å
23	G	96.8	Very high	94.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	167.2	-174.7	0	0	0	0	0	113	M7 K8 G27	M7-G23 PolarHBondContact SD-N 3.42Å; K8-G23 PolarHBondContact N-O 3.09Å; K8-G23 PolarHBondContact O-N 3.49Å; G23-G27 WeakPolarHBondContact CA-O 3.31Å
24	C	95.7	Very high	94.4	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	-176.5	172.6	73.9	0	0	0	0	110	C5 E6 Q26 G27 H29 H85	C5-C24 VanDerWaalsContact SG-SG 3.67Å; E6-C24 VanDerWaalsContact O-CB 3.22Å; E6-C24 WeakPolarHBondContact O-CB 3.16Å; C24-Q26 PolarHBondContact O-N 2.9Å; C24-Q26 VanDerWaalsContact O-N 3.13Å; C24-Q26 PolarHBondContact SG-N 3.15Å; C24-Q26 VanDerWaalsContact SG-N 3.41Å; C24-G27 PolarHBondContact N-O 3.39Å; C24-G27 PolarHBondContact O-N 3.19Å; C24-G27 VanDerWaalsContact O-N 3.13Å; C24-H29 PolarHBondContact SG-NE2 3.05Å; C24-H29 VanDerWaalsContact SG-NE2 3.37Å; C24-H85 PolarHBondContact SG-ND1 3.05Å
25	E	95.4	Very high	93.4	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	178.1	-60.4	-58.1	149.8	0	0	113.7
26	Q	96.1	Very high	91.5	Very high	72 Å²	72	56.8 Å²	56.8	34%	0.336	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.1	-179.6	-63.6	173.9	-87.8	0	0	113.2	C24 H85	C24-Q26 PolarHBondContact O-N 2.9Å; C24-Q26 VanDerWaalsContact O-N 3.13Å; C24-Q26 PolarHBondContact SG-N 3.15Å; C24-Q26 VanDerWaalsContact SG-N 3.41Å; Q26-H85 HydrophobicContact CB-CB 4.1Å; Q26-H85 VanDerWaalsContact CB-CD2 3.47Å; Q26-H85 WeakPolarHBondContact CB-CD2 3.38Å; Q26-H85 VanDerWaalsContact CD-CE1 3.46Å; Q26-H85 VanDerWaalsContact CD-NE2 3.27Å; Q26-H85 PolarHBondContact NE2-NE2 2.96Å; Q26-H85 PolarHBondContact OE1-CE1 3.14Å; Q26-H85 PolarHBondContact OE1-NE2 3.14Å
27	G	97	Very high	89.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	172.7	-179	0	0	0	0	0	114.9	G23 C24 H29 A83	G23-G27 WeakPolarHBondContact CA-O 3.31Å; C24-G27 PolarHBondContact N-O 3.39Å; C24-G27 PolarHBondContact O-N 3.19Å; C24-G27 VanDerWaalsContact O-N 3.13Å; G27-H29 PolarHBondContact O-CD2 3.19Å; G27-A83 CarbonylContact C-O 3.46Å; G27-A83 WeakPolarHBondContact CA-O 3.28Å
28	L	98.1	Very high	87.6	Confident	6 Å²	6	59 Å²	59	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.6	169.4	-174.9	71.5	0	0	0	110.3	S22 I31 L59 C62 P82 A83 F84 H85	S22-L28 WeakPolarHBondContact O-CD1 3.36Å; L28-I31 HydrophobicContact CD2-CD1 3.96Å; L28-I31 HydrophobicContact CD2-CG1 3.9Å; L28-L59 HydrophobicContact CD1-CD2 3.76Å; L28-C62 HydrophobicContact CD1-CB 3.96Å; L28-C62 HydrophobicContact CD2-CB 4.1Å; L28-C62 VanDerWaalsContact CD2-SG 3.54Å; L28-P82 HydrophobicContact CB-CB 4.48Å; L28-P82 HydrophobicContact CB-CG 4.32Å; L28-P82 HydrophobicContact CD2-CG 4.05Å; L28-A83 PolarHBondContact N-O 2.92Å; L28-F84 HydrophobicContact CB-CD1 4.35Å; L28-F84 HydrophobicContact CD2-CD1 4.41Å; L28-F84 HydrophobicContact CD2-CE1 4.09Å; L28-H85 PolarHBondContact O-N 2.63Å
29	H	98	Very high	85.5	Confident	27 Å²	27	58.6 Å²	58.6	13%	0.125	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-47.3	178.6	-80	-110.7	0	0	0	112.5	C5 M7 S22 C24 G27 H85 H86	C5-H29 PolarHBondContact SG-CE1 3.14Å; C5-H29 PolarHBondContact SG-NE2 3.35Å; C5-H29 VanDerWaalsContact SG-NE2 3.42Å; M7-H29 HydrophobicContact CE-CB 3.94Å; M7-H29 HydrophobicContact SD-CB 4.24Å; S22-H29 WeakPolarHBondContact O-CA 3.29Å; S22-H29 WeakPolarHBondContact O-CB 3.35Å; S22-H29 PolarHBondContact O-N 3.36Å; C24-H29 PolarHBondContact SG-NE2 3.05Å; C24-H29 VanDerWaalsContact SG-NE2 3.37Å; G27-H29 PolarHBondContact O-CD2 3.19Å; H29-H85 AromaticContact CE1-ND1 3.37Å; H29-H85 PolarHBondContact CE1-ND1 3.14Å; H29-H85 PolarHBondContact CE1-O 3.16Å; H29-H85 VanDerWaalsContact CE1-O 3.3Å; H29-H85 AromaticContact NE2-CG 3.66Å; H29-H85 AromaticContact NE2-ND1 3.01Å; H29-H85 PolarHBondContact NE2-ND1 3.25Å; H29-H86 WeakPolarHBondContact O-CB 3.26Å; H29-H86 PolarHBondContact O-CD2 3.42Å; H29-H86 VanDerWaalsContact O-CD2 3.29Å
30	E	98	Very high	83.5	Confident	96 Å²	96	62.9 Å²	62.9	45%	0.449	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	142.4	-173.7	-164.1	179.7	175.2	0	0	111.4	S22 K32	S22-E30 PolarHBondContact N-O 3.35Å; S22-E30 PolarHBondContact O-N 3.49Å; S22-E30 VanDerWaalsContact O-N 3.13Å; S22-E30 WeakPolarHBondContact OG-CB 3.43Å; E30-K32 HydrophobicContact CG-CB 4.41Å
31	I	97.6	Very high	81.3	Confident	72 Å²	72	64.7 Å²	64.7	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.1	164.8	-57	175.9	0	0	0	106.2	L21 L28 L66	L21-I31 HydrophobicContact CD2-CB 4.18Å; L21-I31 HydrophobicContact CD2-CG1 3.96Å; L21-I31 HydrophobicContact CD2-CG2 3.75Å; L28-I31 HydrophobicContact CD2-CD1 3.96Å; L28-I31 HydrophobicContact CD2-CG1 3.9Å; I31-L66 HydrophobicContact CD1-CD1 4.34Å; I31-L66 HydrophobicContact CG2-CD1 4.36Å
32	K	96.6	Very high	79.1	Confident	93 Å²	93	69.4 Å²	69.4	40%	0.404	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.8	-172.8	-174.9	177.8	-179.7	179.7	0	111.2	L19 E20 E30 L34	L19-K32 CarbonylContact C-O 3.55Å; L19-K32 WeakPolarHBondContact CA-O 3.47Å; E20-K32 HydrophobicContact CB-CB 4.33Å; E20-K32 PolarHBondContact N-O 3.01Å; E20-K32 PolarHBondContact O-N 3.08Å; E30-K32 HydrophobicContact CG-CB 4.41Å; K32-L34 HydrophobicContact CD-CD2 4.15Å; K32-L34 HydrophobicContact CG-CD2 4.19Å; K32-L34 PolarHBondContact O-N 3.44Å
33	L	94	Very high	77.2	Confident	105 Å²	105	71 Å²	71	55%	0.55	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	115.4	172.1	-76.4	70.1	0	0	0	108.7	L16 L19	L16-L33 HydrophobicContact CB-CD2 4.49Å; L16-L33 HydrophobicContact CD1-CD2 4.41Å; L19-L33 HydrophobicContact CD2-CB 4.36Å; L19-L33 HydrophobicContact CD2-CD1 3.89Å; L19-L33 HydrophobicContact CD2-CG 3.61Å
34	L	88.8	Confident	75.4	Confident	81 Å²	81	73.8 Å²	73.8	42%	0.424	43%	0.433	S	S	.	.			trans	-85	-21.9	178	-59.2	-175.2	0	0	0	112.4	K18 E20 K32 K36	K18-L34 HydrophobicContact CD-CD1 4.38Å; K18-L34 HydrophobicContact CG-CD1 4.25Å; K18-L34 WeakPolarHBondContact O-CB 3.43Å; K18-L34 PolarHBondContact O-N 2.9Å; E20-L34 HydrophobicContact CB-CD1 3.98Å; E20-L34 HydrophobicContact CB-CD2 3.96Å; E20-L34 HydrophobicContact CB-CG 3.97Å; K32-L34 HydrophobicContact CD-CD2 4.15Å; K32-L34 HydrophobicContact CG-CD2 4.19Å; K32-L34 PolarHBondContact O-N 3.44Å; L34-K36 PolarHBondContact O-N 2.98Å
35	G	68.4	Low	73.7	Confident	22 Å²	22	81.9 Å²	81.9	23%	0.227	47%	0.47	C	S	.	.			trans	-97.2	64.7	-175.3	0	0	0	0	0	114.2	G37	G35-G37 PolarHBondContact O-N 3.23Å; G35-G37 VanDerWaalsContact O-N 3.12Å
36	K	51.8	Low	72.4	Confident	219 Å²	219	80.1 Å²	80.1	95%	0.952	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	88.1	165.6	-162.9	-176.7	-176.3	-169	0	109.1	L34	L34-K36 PolarHBondContact O-N 2.98Å
37	G	51.3	Low	71.1	Confident	78 Å²	78	80.2 Å²	80.2	80%	0.804	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.3	13.3	169.3	0	0	0	0	0	117.7	G35	G35-G37 PolarHBondContact O-N 3.23Å; G35-G37 VanDerWaalsContact O-N 3.12Å
38	T	42.1	Very low	69.6	Low	72 Å²	72	81 Å²	81	44%	0.442	48%	0.483	S	S	.	.			trans	-79	126.7	174.6	43.1	0	0	0	0	110.5	D42	T38-D42 HydrophobicContact CG2-CB 4.43Å
39	S	48	Very low	68.1	Low	87 Å²	87	85.7 Å²	85.7	61%	0.608	51%	0.513	S	S	*	.			trans	-48.8	154.1	171.6	173.5	0	0	0	0	110.7	A41 D42	S39-A41 PolarHBondContact O-N 2.88Å; S39-D42 PolarHBondContact O-N 3.37Å
40	A	51	Low	66.5	Low	93 Å²	93	85 Å²	85	77%	0.769	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-50.3	-14.2	175.1	0	0	0	0	0	114.4	D42	A40-D42 VanDerWaalsContact C-N 3.32Å; A40-D42 PolarHBondContact O-N 3.3Å
41	A	48.6	Very low	64.8	Low	87 Å²	87	84 Å²	84	72%	0.719	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.2	174.3	0	0	0	0	0	115.3	S39	S39-A41 PolarHBondContact O-N 2.88Å
42	D	51.2	Low	63.1	Low	100 Å²	100	84.2 Å²	84.2	54%	0.535	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-103.9	0.5	-178.9	-62.2	-47.2	0	0	0	113.4	T38 S39 A40 V44	T38-D42 HydrophobicContact CG2-CB 4.43Å; S39-D42 PolarHBondContact O-N 3.37Å; A40-D42 VanDerWaalsContact C-N 3.32Å; A40-D42 PolarHBondContact O-N 3.3Å; D42-V44 PolarHBondContact O-N 3.42Å
43	A	56.5	Low	61.4	Low	40 Å²	40	87.2 Å²	87.2	33%	0.331	55%	0.545	S	S	.	.			trans	-76.7	114.2	174.8	0	0	0	0	0	109.2	E45	A43-E45 PolarHBondContact O-N 3.01Å
44	V	60.1	Low	60.3	Low	58 Å²	58	84.6 Å²	84.6	35%	0.352	54%	0.543	S	S	.	.			trans	-85	108	176.5	-172.1	0	0	0	0	107.7	D13 D42 V46	D13-V44 HydrophobicContact CB-CG2 4.44Å; D42-V44 PolarHBondContact O-N 3.42Å; V44-V46 HydrophobicContact CG1-CB 4.08Å; V44-V46 VanDerWaalsContact CG1-O 3.31Å; V44-V46 WeakPolarHBondContact CG1-O 3.17Å; V44-V46 PolarHBondContact O-N 3.3Å
45	E	60	Low	59.9	Low	172 Å²	172	82.6 Å²	82.6	80%	0.804	54%	0.542	S	S	*	.			trans	-74.1	-14.3	172.9	-67.3	-168.7	153.3	0	0	112.8	A43	A43-E45 PolarHBondContact O-N 3.01Å
46	V	66.7	Low	61	Low	103 Å²	103	81.8 Å²	81.8	62%	0.624	53%	0.532	S	S	*	.	S	Bend	trans	-87.5	134.3	-179.6	-176	0	0	0	0	109.7	V44 A48	V44-V46 HydrophobicContact CG1-CB 4.08Å; V44-V46 VanDerWaalsContact CG1-O 3.31Å; V44-V46 WeakPolarHBondContact CG1-O 3.17Å; V44-V46 PolarHBondContact O-N 3.3Å; V46-A48 PolarHBondContact O-N 3.06Å
47	P	68.7	Low	63.1	Low	73 Å²	73	77.5 Å²	77.5	47%	0.474	52%	0.516	S	S	.	.			trans	-53.1	115	173.6	-24.3	31.4	0	0	0	111.4	H71	P47-H71 HydrophobicContact CG-CB 4.02Å
48	A	65.3	Low	65.2	Low	17 Å²	17	74.1 Å²	74.1	14%	0.14	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-97.6	132.1	176.3	0	0	0	0	0	109.8	L12 D13 V46	L12-A48 WeakPolarHBondContact CD1-O 3.41Å; D13-A48 HydrophobicContact CB-CB 3.82Å; V46-A48 PolarHBondContact O-N 3.06Å
49	P	67.3	Low	67.7	Low	104 Å²	104	71 Å²	71	68%	0.675	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-65.4	148.9	168.9	28.7	-32.5	0	0	0	109.7	A51	P49-A51 PolarHBondContact O-N 3.47Å
50	A	65.6	Low	69.9	Low	13 Å²	13	72.1 Å²	72.1	11%	0.107	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-58.1	139.7	171.5	0	0	0	0	0	110.7	V52 T63	A50-V52 PolarHBondContact O-N 2.79Å; A50-V52 VanDerWaalsContact O-N 3.12Å; A50-T63 HydrophobicContact CB-CG2 3.64Å
51	A	61.3	Low	72.1	Confident	74 Å²	74	69.8 Å²	69.8	61%	0.612	43%	0.431	S	S	*	.	S	Bend	trans	-62.6	-22.2	-176.4	0	0	0	0	0	113.1	T11 P49	T11-A51 PolarHBondContact O-N 3.37Å; T11-A51 VanDerWaalsContact OG1-CB 3.26Å; T11-A51 WeakPolarHBondContact OG1-CB 3.5Å; P49-A51 PolarHBondContact O-N 3.47Å
52	V	60.9	Low	74.4	Confident	77 Å²	77	65.8 Å²	65.8	47%	0.467	40%	0.397	S	S	.	.	S	Bend	trans	-117.7	108.4	172.8	-172.4	0	0	0	0	108.7	T10 A50 G54	T10-V52 PolarHBondContact OG1-N 3.32Å; A50-V52 PolarHBondContact O-N 2.79Å; A50-V52 VanDerWaalsContact O-N 3.12Å; V52-G54 WeakPolarHBondContact CG1-O 3.45Å
53	L	62.4	Low	76.5	Confident	157 Å²	157	62.2 Å²	62.2	82%	0.822	38%	0.379	S	S	*	.			trans	-81.4	113.2	169.4	-65.4	176	0	0	0	108.5
54	G	70.5	Confident	78.3	Confident	50 Å²	50	62.3 Å²	62.3	52%	0.515	38%	0.38	S	S	.	.			trans	106.2	131.5	-177.1	0	0	0	0	0	112.3	V52	V52-G54 WeakPolarHBondContact CG1-O 3.45Å
55	G	80.3	Confident	80	Confident	39 Å²	39	62.9 Å²	62.9	40%	0.402	38%	0.376	S	S	.	.			trans	175.2	178	-176.2	0	0	0	0	0	109.4
56	P	91.7	Very high	81.8	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.026	34%	0.341	C	S	.	.			trans	-55.5	142.8	174.5	25.7	-36.4	0	0	0	109.8	K8 P58 L59 M60	K8-P56 HydrophobicContact CB-CG 4.14Å; K8-P56 HydrophobicContact CG-CG 4.21Å; P56-P58 VanDerWaalsContact C-N 3.27Å; P56-P58 VanDerWaalsContact O-N 3.11Å; P56-L59 HydrophobicContact CG-CB 4.25Å; P56-L59 HydrophobicContact CG-CD1 3.81Å; P56-L59 HydrophobicContact CG-CG 4.01Å; P56-L59 PolarHBondContact O-N 3.13Å; P56-M60 PolarHBondContact O-N 3.06Å
57	E	94.8	Very high	83	Confident	129 Å²	129	52.7 Å²	52.7	60%	0.603	32%	0.323	S	S	*	.	H	α-helix	trans	-46.6	-42.3	-176.7	179.2	-174.8	175.7	0	0	113.6	L59 M60 Q61	E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.29Å; E57-M60 PolarHBondContact O-N 3.32Å; E57-M60 VanDerWaalsContact O-N 3.14Å; E57-Q61 HydrophobicContact CG-CG 4.33Å; E57-Q61 WeakPolarHBondContact O-CG 3.15Å; E57-Q61 PolarHBondContact O-N 3.46Å; E57-Q61 PolarHBondContact OE1-NE2 3.13Å
58	P	96.3	Very high	84.2	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-33.6	176.9	-26.2	36.2	0	0	0	114.9	P56 C62 P82	P56-P58 VanDerWaalsContact C-N 3.27Å; P56-P58 VanDerWaalsContact O-N 3.11Å; P58-C62 VanDerWaalsContact O-CB 3.24Å; P58-C62 WeakPolarHBondContact O-CB 3.49Å; P58-C62 PolarHBondContact O-N 3.33Å; P58-P82 HydrophobicContact CB-CB 4.17Å; P58-P82 WeakPolarHBondContact O-CB 3.26Å
59	L	95.5	Very high	85.7	Confident	6 Å²	6	53 Å²	53	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-72.5	-37.1	176.4	-79.8	-177.8	0	0	0	111.7	K8 L21 L28 P56 E57 C62 T63	K8-L59 HydrophobicContact CB-CD1 3.89Å; L21-L59 HydrophobicContact CB-CD2 3.77Å; L28-L59 HydrophobicContact CD1-CD2 3.76Å; P56-L59 HydrophobicContact CG-CB 4.25Å; P56-L59 HydrophobicContact CG-CD1 3.81Å; P56-L59 HydrophobicContact CG-CG 4.01Å; P56-L59 PolarHBondContact O-N 3.13Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.29Å; L59-C62 PolarHBondContact O-N 2.83Å; L59-T63 WeakPolarHBondContact O-CB 3.47Å; L59-T63 PolarHBondContact O-N 3.38Å; L59-T63 PolarHBondContact O-OG1 3.08Å
60	M	94.2	Very high	87	Confident	111 Å²	111	50.4 Å²	50.4	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-45.7	176	-66	-179	59.2	0	0	111	P56 E57 T63 A64	P56-M60 PolarHBondContact O-N 3.06Å; E57-M60 PolarHBondContact O-N 3.32Å; E57-M60 VanDerWaalsContact O-N 3.14Å; M60-T63 PolarHBondContact O-N 2.96Å; M60-A64 PolarHBondContact O-N 3.13Å
61	Q	95.9	Very high	88.2	Confident	44 Å²	44	52.1 Å²	52.1	21%	0.206	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-46.7	174.2	-72.9	175.2	-10	0	0	111.5	E57 T63 A64 W65 P80 P82	E57-Q61 HydrophobicContact CG-CG 4.33Å; E57-Q61 WeakPolarHBondContact O-CG 3.15Å; E57-Q61 PolarHBondContact O-N 3.46Å; E57-Q61 PolarHBondContact OE1-NE2 3.13Å; Q61-T63 VanDerWaalsContact C-N 3.31Å; Q61-T63 PolarHBondContact O-N 2.78Å; Q61-A64 PolarHBondContact O-N 3.13Å; Q61-W65 VanDerWaalsContact O-CB 3.31Å; Q61-W65 WeakPolarHBondContact O-CB 3.41Å; Q61-W65 PolarHBondContact O-N 3.41Å; Q61-P80 HydrophobicContact CG-CG 4.4Å; Q61-P82 HydrophobicContact CB-CB 4.03Å
62	C	97.1	Very high	89.7	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.02	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-41.9	176.9	-173.4	0	0	0	0	112.4	L28 P58 L59 W65 L66 P82	L28-C62 HydrophobicContact CD1-CB 3.96Å; L28-C62 HydrophobicContact CD2-CB 4.1Å; L28-C62 VanDerWaalsContact CD2-SG 3.54Å; P58-C62 VanDerWaalsContact O-CB 3.24Å; P58-C62 WeakPolarHBondContact O-CB 3.49Å; P58-C62 PolarHBondContact O-N 3.33Å; L59-C62 PolarHBondContact O-N 2.83Å; C62-W65 PolarHBondContact O-N 2.79Å; C62-L66 WeakPolarHBondContact O-CB 3.22Å; C62-L66 WeakPolarHBondContact O-CG 3.38Å; C62-L66 PolarHBondContact O-N 3.47Å; C62-P82 HydrophobicContact CB-CG 4.09Å
63	T	94.9	Very high	91.3	Very high	25 Å²	25	52 Å²	52	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-47.6	178.1	-58.9	0	0	0	0	110.8	L12 A50 L59 M60 Q61 L66 N67	L12-T63 HydrophobicContact CD1-CG2 4.26Å; L12-T63 HydrophobicContact CD2-CG2 4.45Å; A50-T63 HydrophobicContact CB-CG2 3.64Å; L59-T63 WeakPolarHBondContact O-CB 3.47Å; L59-T63 PolarHBondContact O-N 3.38Å; L59-T63 PolarHBondContact O-OG1 3.08Å; M60-T63 PolarHBondContact O-N 2.96Å; Q61-T63 VanDerWaalsContact C-N 3.31Å; Q61-T63 PolarHBondContact O-N 2.78Å; T63-L66 PolarHBondContact O-N 3.17Å; T63-N67 WeakPolarHBondContact O-CB 3.49Å; T63-N67 PolarHBondContact O-N 3.21Å
64	A	94.4	Very high	92.8	Very high	42 Å²	42	53.3 Å²	53.3	35%	0.347	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-43.6	178.6	0	0	0	0	0	111.7	M60 Q61 N67 A68 F79	M60-A64 PolarHBondContact O-N 3.13Å; Q61-A64 PolarHBondContact O-N 3.13Å; A64-N67 PolarHBondContact O-N 2.9Å; A64-A68 WeakPolarHBondContact O-CB 3.21Å; A64-A68 PolarHBondContact O-N 3.32Å; A64-F79 HydrophobicContact CB-CD1 4.1Å; A64-F79 HydrophobicContact CB-CE1 4.26Å
65	W	96.9	Very high	93.9	Very high	70 Å²	70	52 Å²	52	27%	0.265	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-45.9	178	-168	94.2	0	0	0	112	Q61 C62 A68 Y69 I76 F79	Q61-W65 VanDerWaalsContact O-CB 3.31Å; Q61-W65 WeakPolarHBondContact O-CB 3.41Å; Q61-W65 PolarHBondContact O-N 3.41Å; C62-W65 PolarHBondContact O-N 2.79Å; W65-A68 PolarHBondContact O-N 2.94Å; W65-Y69 AromaticContact CH2-CD2 3.84Å; W65-Y69 HydrophobicContact CH2-CD2 3.84Å; W65-Y69 HydrophobicContact CH2-CG 4.42Å; W65-Y69 HydrophobicContact CZ3-CD2 4.06Å; W65-Y69 HydrophobicContact CZ3-CG 4.18Å; W65-Y69 WeakPolarHBondContact O-CB 3.48Å; W65-Y69 PolarHBondContact O-N 3.37Å; W65-I76 HydrophobicContact CD2-CD1 3.89Å; W65-I76 HydrophobicContact CE3-CD1 4.46Å; W65-I76 HydrophobicContact CG-CD1 4.18Å; W65-I76 HydrophobicContact CH2-CD1 4.49Å; W65-I76 HydrophobicContact CZ2-CD1 3.92Å; W65-I76 HydrophobicContact CZ2-CG1 3.96Å; W65-I76 WeakPolarHBondContact O-CD1 3.38Å; W65-F79 HydrophobicContact CB-CB 4.45Å; W65-F79 HydrophobicContact CG-CB 4.38Å
66	L	96.1	Very high	94.5	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.068	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-39.5	176.6	-74.5	170.3	0	0	0	112.3	L12 L19 L21 I31 C62 T63 A68 Y69 F70	L12-L66 HydrophobicContact CD2-CB 3.74Å; L12-L66 HydrophobicContact CD2-CD1 4.08Å; L19-L66 HydrophobicContact CD1-CD1 4.11Å; L21-L66 HydrophobicContact CD1-CD1 4.05Å; L21-L66 HydrophobicContact CD2-CD1 3.55Å; L21-L66 HydrophobicContact CG-CD1 4.45Å; I31-L66 HydrophobicContact CD1-CD1 4.34Å; I31-L66 HydrophobicContact CG2-CD1 4.36Å; C62-L66 WeakPolarHBondContact O-CB 3.22Å; C62-L66 WeakPolarHBondContact O-CG 3.38Å; C62-L66 PolarHBondContact O-N 3.47Å; T63-L66 PolarHBondContact O-N 3.17Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 3.49Å; L66-Y69 PolarHBondContact O-N 2.94Å; L66-F70 HydrophobicContact CD2-CE2 4.38Å; L66-F70 WeakPolarHBondContact O-CD2 3.38Å; L66-F70 PolarHBondContact O-N 3.14Å; L66-F70 VanDerWaalsContact O-N 3.13Å
67	N	92.6	Very high	94.6	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.7	-175.6	61.9	0	0	0	111.5	T63 A64 H71	T63-N67 WeakPolarHBondContact O-CB 3.49Å; T63-N67 PolarHBondContact O-N 3.21Å; A64-N67 PolarHBondContact O-N 2.9Å; N67-H71 WeakPolarHBondContact O-CB 3.31Å; N67-H71 PolarHBondContact O-N 3.38Å; N67-H71 PolarHBondContact O-ND1 2.78Å; N67-H71 VanDerWaalsContact O-ND1 3.11Å; N67-H71 PolarHBondContact OD1-ND1 2.96Å
68	A	94.3	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-43.3	173.9	0	0	0	0	0	111.9	A64 W65 L66 F70 H71 Q72 P73 I76 F79	A64-A68 WeakPolarHBondContact O-CB 3.21Å; A64-A68 PolarHBondContact O-N 3.32Å; W65-A68 PolarHBondContact O-N 2.94Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 3.49Å; A68-F70 VanDerWaalsContact C-N 3.26Å; A68-F70 PolarHBondContact O-N 2.94Å; A68-H71 PolarHBondContact O-N 2.86Å; A68-Q72 CarbonylContact O-C 2.92Å; A68-Q72 VanDerWaalsContact O-CA 3.3Å; A68-Q72 WeakPolarHBondContact O-CA 3.42Å; A68-Q72 PolarHBondContact O-N 3.27Å; A68-P73 VanDerWaalsContact O-N 3.16Å; A68-I76 HydrophobicContact CB-CD1 3.98Å; A68-F79 HydrophobicContact CB-CD1 4.14Å; A68-F79 HydrophobicContact CB-CD2 3.39Å; A68-F79 HydrophobicContact CB-CE1 4.06Å; A68-F79 HydrophobicContact CB-CE2 3.31Å; A68-F79 HydrophobicContact CB-CG 3.84Å; A68-F79 HydrophobicContact CB-CZ 3.66Å
69	Y	96.3	Very high	94.5	Very high	96 Å²	96	60.7 Å²	60.7	38%	0.376	30%	0.296	S	S	.	.	H	α-helix	trans	-55.6	-42	179.2	177.7	-91.3	0	0	0	112.1	W65 L66 F108	W65-Y69 AromaticContact CH2-CD2 3.84Å; W65-Y69 HydrophobicContact CH2-CD2 3.84Å; W65-Y69 HydrophobicContact CH2-CG 4.42Å; W65-Y69 HydrophobicContact CZ3-CD2 4.06Å; W65-Y69 HydrophobicContact CZ3-CG 4.18Å; W65-Y69 WeakPolarHBondContact O-CB 3.48Å; W65-Y69 PolarHBondContact O-N 3.37Å; L66-Y69 PolarHBondContact O-N 2.94Å; Y69-F108 HydrophobicContact CD2-CD2 4.08Å; Y69-F108 AromaticContact CD2-CE2 3.99Å; Y69-F108 HydrophobicContact CD2-CE2 3.99Å; Y69-F108 AromaticContact CE2-CD2 3.7Å; Y69-F108 HydrophobicContact CE2-CD2 3.7Å; Y69-F108 AromaticContact CE2-CE2 3.55Å; Y69-F108 HydrophobicContact CE2-CE2 3.55Å
70	F	94.2	Very high	94.5	Very high	50 Å²	50	64 Å²	64	22%	0.219	32%	0.318	C	S	.	.	H	α-helix	trans	-84.7	-38.3	-179.2	-69.6	-61.9	0	0	0	114.2	P15 L16 L19 L66 A68	P15-F70 HydrophobicContact CB-CD1 4.38Å; P15-F70 HydrophobicContact CG-CB 4.06Å; P15-F70 HydrophobicContact CG-CD1 3.88Å; P15-F70 HydrophobicContact CG-CG 4.04Å; L16-F70 HydrophobicContact CD1-CE1 4.05Å; L16-F70 HydrophobicContact CD1-CZ 3.84Å; L16-F70 HydrophobicContact CG-CE1 3.99Å; L16-F70 HydrophobicContact CG-CZ 4.04Å; L19-F70 HydrophobicContact CD1-CE2 4.15Å; L66-F70 HydrophobicContact CD2-CE2 4.38Å; L66-F70 WeakPolarHBondContact O-CD2 3.38Å; L66-F70 PolarHBondContact O-N 3.14Å; L66-F70 VanDerWaalsContact O-N 3.13Å; A68-F70 VanDerWaalsContact C-N 3.26Å; A68-F70 PolarHBondContact O-N 2.94Å
71	H	91.4	Very high	94.7	Very high	49 Å²	49	62 Å²	62	23%	0.227	31%	0.311	C	S	.	.	H	α-helix	trans	-115.4	-15.3	-166.8	-50.1	106.4	0	0	0	114.4	P47 N67 A68	P47-H71 HydrophobicContact CG-CB 4.02Å; N67-H71 WeakPolarHBondContact O-CB 3.31Å; N67-H71 PolarHBondContact O-N 3.38Å; N67-H71 PolarHBondContact O-ND1 2.78Å; N67-H71 VanDerWaalsContact O-ND1 3.11Å; N67-H71 PolarHBondContact OD1-ND1 2.96Å; A68-H71 PolarHBondContact O-N 2.86Å
72	Q	93.8	Very high	94.7	Very high	108 Å²	108	60.3 Å²	60.3	51%	0.505	30%	0.304	S	S	.	.			trans	-141.8	54.6	180	-61.3	-178.7	-14.9	0	0	111.3	A68 E74 A75	A68-Q72 CarbonylContact O-C 2.92Å; A68-Q72 VanDerWaalsContact O-CA 3.3Å; A68-Q72 WeakPolarHBondContact O-CA 3.42Å; A68-Q72 PolarHBondContact O-N 3.27Å; Q72-E74 PolarHBondContact O-N 3.28Å; Q72-E74 VanDerWaalsContact O-N 3.14Å; Q72-A75 PolarHBondContact O-N 2.9Å
73	P	93.3	Very high	94.8	Very high	40 Å²	40	62.8 Å²	62.8	26%	0.26	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-61.6	-28	-171.3	25.3	-35.5	0	0	0	113.1	A68 A75 I76 F108	A68-P73 VanDerWaalsContact O-N 3.16Å; P73-A75 PolarHBondContact O-N 3.47Å; P73-A75 VanDerWaalsContact O-N 3.16Å; P73-I76 WeakPolarHBondContact O-CB 3.43Å; P73-I76 WeakPolarHBondContact O-CG2 3.36Å; P73-I76 PolarHBondContact O-N 2.81Å; P73-I76 VanDerWaalsContact O-N 3.14Å; P73-F108 HydrophobicContact CB-CE1 4.16Å; P73-F108 HydrophobicContact CB-CE2 4.4Å; P73-F108 HydrophobicContact CB-CZ 3.88Å
74	E	93.9	Very high	94.9	Very high	186 Å²	186	64.4 Å²	64.4	87%	0.869	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-59	-26.8	177.2	-44	-61.4	167.3	0	0	113	Q72	Q72-E74 PolarHBondContact O-N 3.28Å; Q72-E74 VanDerWaalsContact O-N 3.14Å
75	A	93.4	Very high	95	Very high	21 Å²	21	63.5 Å²	63.5	17%	0.174	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-104.5	6.4	-178.1	0	0	0	0	0	112.9	Q72 P73 E77 E78 F79	Q72-A75 PolarHBondContact O-N 2.9Å; P73-A75 PolarHBondContact O-N 3.47Å; P73-A75 VanDerWaalsContact O-N 3.16Å; A75-E77 PolarHBondContact O-N 2.99Å; A75-E77 VanDerWaalsContact O-N 3.14Å; A75-E78 VanDerWaalsContact O-CB 3.28Å; A75-E78 WeakPolarHBondContact O-CB 3.3Å; A75-E78 PolarHBondContact O-N 3.39Å; A75-F79 HydrophobicContact CB-CE2 4.14Å; A75-F79 VanDerWaalsContact O-CD2 3.26Å; A75-F79 WeakPolarHBondContact O-CD2 3.24Å
76	I	94.3	Very high	95	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.041	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-58.5	-34.4	-170	-168.3	53.2	0	0	0	113.7	W65 A68 P73 E78 F79 F108	W65-I76 HydrophobicContact CD2-CD1 3.89Å; W65-I76 HydrophobicContact CE3-CD1 4.46Å; W65-I76 HydrophobicContact CG-CD1 4.18Å; W65-I76 HydrophobicContact CH2-CD1 4.49Å; W65-I76 HydrophobicContact CZ2-CD1 3.92Å; W65-I76 HydrophobicContact CZ2-CG1 3.96Å; W65-I76 WeakPolarHBondContact O-CD1 3.38Å; A68-I76 HydrophobicContact CB-CD1 3.98Å; P73-I76 WeakPolarHBondContact O-CB 3.43Å; P73-I76 WeakPolarHBondContact O-CG2 3.36Å; P73-I76 PolarHBondContact O-N 2.81Å; P73-I76 VanDerWaalsContact O-N 3.14Å; I76-E78 PolarHBondContact O-N 2.83Å; I76-F79 PolarHBondContact O-N 2.93Å; I76-F108 HydrophobicContact CG2-CB 4.15Å; I76-F108 HydrophobicContact CG2-CG 4.42Å
77	E	93.2	Very high	95.1	Very high	136 Å²	136	66.4 Å²	66.4	64%	0.636	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15.6	178.5	-60.8	-68.2	154.8	0	0	112.8	A75	A75-E77 PolarHBondContact O-N 2.99Å; A75-E77 VanDerWaalsContact O-N 3.14Å
78	E	94.6	Very high	95.3	Very high	162 Å²	162	66.1 Å²	66.1	76%	0.757	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-81.2	-18.9	174.9	-55.1	-176.8	-175.8	0	0	112.1	A75 I76	A75-E78 VanDerWaalsContact O-CB 3.28Å; A75-E78 WeakPolarHBondContact O-CB 3.3Å; A75-E78 PolarHBondContact O-N 3.39Å; I76-E78 PolarHBondContact O-N 2.83Å
79	F	94.8	Very high	95.4	Very high	58 Å²	58	68 Å²	68	25%	0.254	35%	0.349	S	S	.	.	S	Bend	trans	-87	128	-179.4	-71.1	-97.2	0	0	0	110.8	A64 W65 A68 A75 I76 V81	A64-F79 HydrophobicContact CB-CD1 4.1Å; A64-F79 HydrophobicContact CB-CE1 4.26Å; W65-F79 HydrophobicContact CB-CB 4.45Å; W65-F79 HydrophobicContact CG-CB 4.38Å; A68-F79 HydrophobicContact CB-CD1 4.14Å; A68-F79 HydrophobicContact CB-CD2 3.39Å; A68-F79 HydrophobicContact CB-CE1 4.06Å; A68-F79 HydrophobicContact CB-CE2 3.31Å; A68-F79 HydrophobicContact CB-CG 3.84Å; A68-F79 HydrophobicContact CB-CZ 3.66Å; A75-F79 HydrophobicContact CB-CE2 4.14Å; A75-F79 VanDerWaalsContact O-CD2 3.26Å; A75-F79 WeakPolarHBondContact O-CD2 3.24Å; I76-F79 PolarHBondContact O-N 2.93Å; F79-V81 PolarHBondContact O-N 2.86Å
80	P	95.8	Very high	95.4	Very high	76 Å²	76	68.4 Å²	68.4	49%	0.494	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-67.4	135.9	179.3	28.6	-34.4	0	0	0	110.9	Q61	Q61-P80 HydrophobicContact CG-CG 4.4Å
81	V	96.8	Very high	95.4	Very high	68 Å²	68	73 Å²	73	41%	0.412	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.1	129	167.7	179.8	0	0	0	0	108.4	F79 F84 L103	F79-V81 PolarHBondContact O-N 2.86Å; V81-F84 HydrophobicContact CG1-CE2 3.72Å; V81-F84 HydrophobicContact CG1-CZ 3.68Å; V81-L103 HydrophobicContact CG1-CD1 4.18Å; V81-L103 HydrophobicContact CG1-CD2 4.33Å; V81-L103 HydrophobicContact CG2-CD1 4.44Å
82	P	97.3	Very high	95.6	Very high	9 Å²	9	76 Å²	76	6%	0.058	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-66.1	155.8	179.5	28.4	-35.9	0	0	0	112	L28 P58 Q61 C62	L28-P82 HydrophobicContact CB-CB 4.48Å; L28-P82 HydrophobicContact CB-CG 4.32Å; L28-P82 HydrophobicContact CD2-CG 4.05Å; P58-P82 HydrophobicContact CB-CB 4.17Å; P58-P82 WeakPolarHBondContact O-CB 3.26Å; Q61-P82 HydrophobicContact CB-CB 4.03Å; C62-P82 HydrophobicContact CB-CG 4.09Å
83	A	97.7	Very high	95.8	Very high	54 Å²	54	72.9 Å²	72.9	45%	0.446	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-59.2	144.7	166.5	0	0	0	0	0	110.5	G27 L28	G27-A83 CarbonylContact C-O 3.46Å; G27-A83 WeakPolarHBondContact CA-O 3.28Å; L28-A83 PolarHBondContact N-O 2.92Å
84	F	97.8	Very high	96.1	Very high	60 Å²	60	78.8 Å²	78.8	26%	0.263	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-106.9	134.2	176.6	-60.3	-73.9	0	0	0	111.2	L28 V81 F89 W100 L103	L28-F84 HydrophobicContact CB-CD1 4.35Å; L28-F84 HydrophobicContact CD2-CD1 4.41Å; L28-F84 HydrophobicContact CD2-CE1 4.09Å; V81-F84 HydrophobicContact CG1-CE2 3.72Å; V81-F84 HydrophobicContact CG1-CZ 3.68Å; F84-F89 HydrophobicContact CB-CD2 3.57Å; F84-F89 HydrophobicContact CB-CE2 3.86Å; F84-F89 HydrophobicContact CB-CG 4.08Å; F84-F89 HydrophobicContact CD1-CE2 4.25Å; F84-F89 HydrophobicContact CG-CD2 4.27Å; F84-F89 HydrophobicContact CG-CE2 4.07Å; F84-F89 HydrophobicContact CG-CZ 4.46Å; F84-W100 HydrophobicContact CD2-CH2 4.34Å; F84-L103 HydrophobicContact CD2-CD2 4.47Å; F84-L103 HydrophobicContact CE2-CD2 3.58Å; F84-L103 HydrophobicContact CZ-CD2 4.3Å
85	H	97.2	Very high	96.3	Very high	22 Å²	22	73.7 Å²	73.7	10%	0.102	38%	0.383	C	S	.	.			trans	-128	7.8	-180	-166.4	-111.4	0	0	0	113.8	C24 Q26 L28 H29 Q90	C24-H85 PolarHBondContact SG-ND1 3.05Å; Q26-H85 HydrophobicContact CB-CB 4.1Å; Q26-H85 VanDerWaalsContact CB-CD2 3.47Å; Q26-H85 WeakPolarHBondContact CB-CD2 3.38Å; Q26-H85 VanDerWaalsContact CD-CE1 3.46Å; Q26-H85 VanDerWaalsContact CD-NE2 3.27Å; Q26-H85 PolarHBondContact NE2-NE2 2.96Å; Q26-H85 PolarHBondContact OE1-CE1 3.14Å; Q26-H85 PolarHBondContact OE1-NE2 3.14Å; L28-H85 PolarHBondContact O-N 2.63Å; H29-H85 AromaticContact CE1-ND1 3.37Å; H29-H85 PolarHBondContact CE1-ND1 3.14Å; H29-H85 PolarHBondContact CE1-O 3.16Å; H29-H85 VanDerWaalsContact CE1-O 3.3Å; H29-H85 AromaticContact NE2-CG 3.66Å; H29-H85 AromaticContact NE2-ND1 3.01Å; H29-H85 PolarHBondContact NE2-ND1 3.25Å; H85-Q90 PolarHBondContact CE1-NE2 3.32Å; H85-Q90 PolarHBondContact NE2-NE2 2.96Å; H85-Q90 VanDerWaalsContact NE2-NE2 3.19Å; H85-Q90 PolarHBondContact O-NE2 3.46Å
86	H	97.1	Very high	96.5	Very high	73 Å²	73	75.3 Å²	75.3	34%	0.338	39%	0.385	S	S	.	.	S	Bend	trans	-57.8	140.2	169.8	-171.3	-90.9	0	0	0	111.2	H29 V88 F89	H29-H86 WeakPolarHBondContact O-CB 3.26Å; H29-H86 PolarHBondContact O-CD2 3.42Å; H29-H86 VanDerWaalsContact O-CD2 3.29Å; H86-V88 HydrophobicContact CB-CG1 4.21Å; H86-V88 WeakPolarHBondContact ND1-CB 3.41Å; H86-V88 WeakPolarHBondContact ND1-CG1 3.3Å; H86-V88 PolarHBondContact ND1-N 3.25Å; H86-V88 VanDerWaalsContact ND1-N 3.19Å; H86-V88 PolarHBondContact O-N 2.81Å; H86-F89 HydrophobicContact CB-CD2 3.92Å; H86-F89 HydrophobicContact CB-CE2 4.21Å; H86-F89 PolarHBondContact O-N 3.13Å
87	P	96.4	Very high	96.7	Very high	72 Å²	72	80.3 Å²	80.3	47%	0.468	41%	0.408	S	S	.	.	H	α-helix	trans	-51.9	-30.2	-177.5	-30.6	35.8	0	0	0	115.1	F89 Q90	P87-F89 PolarHBondContact O-N 3.27Å; P87-F89 VanDerWaalsContact O-N 3.15Å; P87-Q90 PolarHBondContact O-N 2.86Å; P87-Q90 VanDerWaalsContact O-N 3.09Å
88	V	97.6	Very high	97	Very high	41 Å²	41	77.2 Å²	77.2	25%	0.248	40%	0.398	C	S	.	.	H	α-helix	trans	-56.9	-27.6	176	76.9	0	0	0	0	113.3	H86 T95 L99	H86-V88 HydrophobicContact CB-CG1 4.21Å; H86-V88 WeakPolarHBondContact ND1-CB 3.41Å; H86-V88 WeakPolarHBondContact ND1-CG1 3.3Å; H86-V88 PolarHBondContact ND1-N 3.25Å; H86-V88 VanDerWaalsContact ND1-N 3.19Å; H86-V88 PolarHBondContact O-N 2.81Å; V88-T95 HydrophobicContact CG2-CG2 3.85Å; V88-L99 HydrophobicContact CG1-CD1 4.3Å; V88-L99 HydrophobicContact CG2-CD1 4.24Å
89	F	97.3	Very high	97.2	Very high	40 Å²	40	72.6 Å²	72.6	18%	0.175	38%	0.379	C	S	.	.	H	α-helix	trans	-93.1	-17.8	-179.9	-60.7	-68	0	0	0	113.1	F84 H86 P87 R96 L99 W100	F84-F89 HydrophobicContact CB-CD2 3.57Å; F84-F89 HydrophobicContact CB-CE2 3.86Å; F84-F89 HydrophobicContact CB-CG 4.08Å; F84-F89 HydrophobicContact CD1-CE2 4.25Å; F84-F89 HydrophobicContact CG-CD2 4.27Å; F84-F89 HydrophobicContact CG-CE2 4.07Å; F84-F89 HydrophobicContact CG-CZ 4.46Å; H86-F89 HydrophobicContact CB-CD2 3.92Å; H86-F89 HydrophobicContact CB-CE2 4.21Å; H86-F89 PolarHBondContact O-N 3.13Å; P87-F89 PolarHBondContact O-N 3.27Å; P87-F89 VanDerWaalsContact O-N 3.15Å; F89-R96 HydrophobicContact CD1-CG 4.41Å; F89-R96 WeakPolarHBondContact O-CD 3.38Å; F89-R96 PolarHBondContact O-NH1 3.13Å; F89-L99 HydrophobicContact CE1-CB 3.87Å; F89-L99 HydrophobicContact CE1-CD1 3.94Å; F89-L99 HydrophobicContact CZ-CB 4.43Å; F89-L99 HydrophobicContact CZ-CD1 4.01Å; F89-W100 AromaticContact CD1-NE1 3.6Å
90	Q	95.3	Very high	97.4	Very high	103 Å²	103	75.6 Å²	75.6	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-77.1	-29.6	-176.3	-60.5	-176.6	6.4	0	0	112.5	H85 P87	H85-Q90 PolarHBondContact CE1-NE2 3.32Å; H85-Q90 PolarHBondContact NE2-NE2 2.96Å; H85-Q90 VanDerWaalsContact NE2-NE2 3.19Å; H85-Q90 PolarHBondContact O-NE2 3.46Å; P87-Q90 PolarHBondContact O-N 2.86Å; P87-Q90 VanDerWaalsContact O-N 3.09Å
91	Q	93.9	Very high	97.5	Very high	146 Å²	146	78.5 Å²	78.5	68%	0.682	39%	0.393	S	S	*	.	S	Bend	trans	-108.9	142.9	179.9	-59.2	-177.1	27.4	0	0	111.5	S93 R96	Q91-S93 PolarHBondContact O-N 2.96Å; Q91-R96 VanDerWaalsContact O-CD 3.25Å; Q91-R96 WeakPolarHBondContact O-CD 3.5Å; Q91-R96 PolarHBondContact O-NE 2.7Å
92	E	96.5	Very high	97.6	Very high	114 Å²	114	79.4 Å²	79.4	53%	0.533	40%	0.395	S	S	.	.			trans	-67.8	128.1	173.3	-175.4	57.5	-97.1	0	0	110.5	R96 Q97	E92-R96 VanDerWaalsContact CD-NH2 3.26Å; E92-R96 IonicContact OE1-NE 2.63Å; E92-R96 IonicContact OE1-NH2 3.64Å; E92-R96 IonicContact OE2-CZ 2.61Å; E92-R96 IonicContact OE2-NE 3.86Å; E92-R96 IonicContact OE2-NH2 3.67Å; E92-R96 PolarHBondContact OE2-NH2 3.35Å; E92-Q97 VanDerWaalsContact OE1-CG 3.28Å; E92-Q97 WeakPolarHBondContact OE1-CG 3.5Å; E92-Q97 PolarHBondContact OE1-NE2 2.79Å
93	S	98.3	Very high	97.6	Very high	41 Å²	41	82.7 Å²	82.7	29%	0.287	41%	0.412	S	S	.	.			trans	-161.2	157.3	-180	65.2	0	0	0	0	110	Q91 T95 R96 Q97	Q91-S93 PolarHBondContact O-N 2.96Å; S93-T95 PolarHBondContact O-N 2.92Å; S93-R96 WeakPolarHBondContact O-CB 3.44Å; S93-R96 PolarHBondContact O-N 3.45Å; S93-R96 VanDerWaalsContact O-N 3.09Å; S93-R96 WeakPolarHBondContact OG-CB 3.16Å; S93-R96 PolarHBondContact OG-N 3.5Å; S93-Q97 PolarHBondContact O-N 2.97Å
94	F	98.5	Very high	97.6	Very high	164 Å²	164	88.7 Å²	88.7	72%	0.719	43%	0.428	S	S	*	.	H	α-helix	trans	-55.9	-42	172.9	-179	-105	0	0	0	111.6	R96 Q97 V98	F94-R96 VanDerWaalsContact C-N 3.33Å; F94-R96 PolarHBondContact O-N 2.99Å; F94-Q97 PolarHBondContact O-N 3.29Å; F94-Q97 VanDerWaalsContact O-N 3.16Å; F94-V98 HydrophobicContact CD1-CG2 4.07Å; F94-V98 HydrophobicContact CD2-CG2 4.48Å; F94-V98 HydrophobicContact CE1-CG2 3.63Å; F94-V98 HydrophobicContact CE2-CG2 4.08Å; F94-V98 HydrophobicContact CG-CG2 4.48Å; F94-V98 HydrophobicContact CZ-CG2 3.63Å; F94-V98 WeakPolarHBondContact O-CG2 3.45Å; F94-V98 PolarHBondContact O-N 3.45Å
95	T	98.6	Very high	97.6	Very high	79 Å²	79	88.7 Å²	88.7	49%	0.485	43%	0.433	S	S	.	.	H	α-helix	trans	-55.5	-46.6	174.7	-52.7	0	0	0	0	111.8	V88 S93 Q97 V98 L99	V88-T95 HydrophobicContact CG2-CG2 3.85Å; S93-T95 PolarHBondContact O-N 2.92Å; T95-Q97 PolarHBondContact O-N 2.88Å; T95-V98 PolarHBondContact O-N 3.49Å; T95-L99 HydrophobicContact CG2-CD1 4.22Å; T95-L99 WeakPolarHBondContact O-CG 3.39Å; T95-L99 PolarHBondContact O-N 2.99Å; T95-L99 VanDerWaalsContact O-N 3.07Å
96	R	98.4	Very high	97.6	Very high	56 Å²	56	89.4 Å²	89.4	21%	0.211	44%	0.439	C	S	.	.	H	α-helix	trans	-60.1	-46.6	176.8	-179.8	173.6	83.8	167.9	7.4	111.6	F89 Q91 E92 S93 F94 V98 L99 W100	F89-R96 HydrophobicContact CD1-CG 4.41Å; F89-R96 WeakPolarHBondContact O-CD 3.38Å; F89-R96 PolarHBondContact O-NH1 3.13Å; Q91-R96 VanDerWaalsContact O-CD 3.25Å; Q91-R96 WeakPolarHBondContact O-CD 3.5Å; Q91-R96 PolarHBondContact O-NE 2.7Å; E92-R96 VanDerWaalsContact CD-NH2 3.26Å; E92-R96 IonicContact OE1-NE 2.63Å; E92-R96 IonicContact OE1-NH2 3.64Å; E92-R96 IonicContact OE2-CZ 2.61Å; E92-R96 IonicContact OE2-NE 3.86Å; E92-R96 IonicContact OE2-NH2 3.67Å; E92-R96 PolarHBondContact OE2-NH2 3.35Å; S93-R96 WeakPolarHBondContact O-CB 3.44Å; S93-R96 PolarHBondContact O-N 3.45Å; S93-R96 VanDerWaalsContact O-N 3.09Å; S93-R96 WeakPolarHBondContact OG-CB 3.16Å; S93-R96 PolarHBondContact OG-N 3.5Å; F94-R96 VanDerWaalsContact C-N 3.33Å; F94-R96 PolarHBondContact O-N 2.99Å; R96-V98 PolarHBondContact O-N 3.44Å; R96-L99 PolarHBondContact O-N 3Å; R96-W100 VanDerWaalsContact CG-CD1 3.5Å; R96-W100 PolarHBondContact O-N 3.11Å
97	Q	98.6	Very high	97.5	Very high	112 Å²	112	92.1 Å²	92.1	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-42.6	-179	-70.6	178.7	46.3	0	0	112	E92 S93 F94 T95 K101	E92-Q97 VanDerWaalsContact OE1-CG 3.28Å; E92-Q97 WeakPolarHBondContact OE1-CG 3.5Å; E92-Q97 PolarHBondContact OE1-NE2 2.79Å; S93-Q97 PolarHBondContact O-N 2.97Å; F94-Q97 PolarHBondContact O-N 3.29Å; F94-Q97 VanDerWaalsContact O-N 3.16Å; T95-Q97 PolarHBondContact O-N 2.88Å; Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.45Å
98	V	98.6	Very high	97.5	Very high	71 Å²	71	93.9 Å²	93.9	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-59.5	-49.6	175.8	172	0	0	0	0	110.6	F94 T95 R96 K101 L102	F94-V98 HydrophobicContact CD1-CG2 4.07Å; F94-V98 HydrophobicContact CD2-CG2 4.48Å; F94-V98 HydrophobicContact CE1-CG2 3.63Å; F94-V98 HydrophobicContact CE2-CG2 4.08Å; F94-V98 HydrophobicContact CG-CG2 4.48Å; F94-V98 HydrophobicContact CZ-CG2 3.63Å; F94-V98 WeakPolarHBondContact O-CG2 3.45Å; F94-V98 PolarHBondContact O-N 3.45Å; T95-V98 PolarHBondContact O-N 3.49Å; R96-V98 PolarHBondContact O-N 3.44Å; V98-K101 PolarHBondContact O-N 3.12Å; V98-L102 WeakPolarHBondContact O-CB 3.39Å; V98-L102 PolarHBondContact O-N 3.12Å
99	L	98.6	Very high	97.4	Very high	66 Å²	66	95.6 Å²	95.6	35%	0.346	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-44.2	-179.1	-69.1	174.1	0	0	0	112.7	V88 F89 T95 R96 L102 L103	V88-L99 HydrophobicContact CG1-CD1 4.3Å; V88-L99 HydrophobicContact CG2-CD1 4.24Å; F89-L99 HydrophobicContact CE1-CB 3.87Å; F89-L99 HydrophobicContact CE1-CD1 3.94Å; F89-L99 HydrophobicContact CZ-CB 4.43Å; F89-L99 HydrophobicContact CZ-CD1 4.01Å; T95-L99 HydrophobicContact CG2-CD1 4.22Å; T95-L99 WeakPolarHBondContact O-CG 3.39Å; T95-L99 PolarHBondContact O-N 2.99Å; T95-L99 VanDerWaalsContact O-N 3.07Å; R96-L99 PolarHBondContact O-N 3Å; L99-L102 PolarHBondContact O-N 2.97Å; L99-L103 WeakPolarHBondContact O-CB 3.25Å; L99-L103 PolarHBondContact O-N 2.88Å
100	W	98.4	Very high	97.4	Very high	120 Å²	120	98.8 Å²	98.8	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-36.9	176.1	-86.2	107.4	0	0	0	112.8	F84 F89 R96 L103 K104	F84-W100 HydrophobicContact CD2-CH2 4.34Å; F89-W100 AromaticContact CD1-NE1 3.6Å; R96-W100 VanDerWaalsContact CG-CD1 3.5Å; R96-W100 PolarHBondContact O-N 3.11Å; W100-L103 HydrophobicContact CE3-CD2 4Å; W100-L103 HydrophobicContact CZ3-CD2 3.9Å; W100-K104 VanDerWaalsContact O-CB 3.29Å; W100-K104 WeakPolarHBondContact O-CB 3.41Å; W100-K104 PolarHBondContact O-N 3.05Å; W100-K104 VanDerWaalsContact O-N 3.08Å
101	K	98.4	Very high	97.5	Very high	138 Å²	138	100.7 Å²	100.7	60%	0.6	51%	0.51	S	S	*	.	H	α-helix	trans	-67.3	-42.9	177.2	-171.7	65	171.9	175.1	0	110.9	Q97 V98 K104 V105	Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.45Å; V98-K101 PolarHBondContact O-N 3.12Å; K101-K104 PolarHBondContact O-N 3.09Å; K101-V105 HydrophobicContact CD-CG2 3.74Å; K101-V105 HydrophobicContact CG-CG2 4.34Å; K101-V105 VanDerWaalsContact O-CB 3.31Å; K101-V105 WeakPolarHBondContact O-CB 3.46Å; K101-V105 WeakPolarHBondContact O-CG2 3.01Å; K101-V105 PolarHBondContact O-N 3.02Å
102	L	98.5	Very high	97.7	Very high	86 Å²	86	99.2 Å²	99.2	45%	0.45	51%	0.506	S	S	.	.	H	α-helix	trans	-57.9	-54	175.4	-177.3	62	0	0	0	110.8	V98 L99 K104 V105 V106 I112	V98-L102 WeakPolarHBondContact O-CB 3.39Å; V98-L102 PolarHBondContact O-N 3.12Å; L99-L102 PolarHBondContact O-N 2.97Å; L102-K104 VanDerWaalsContact C-N 3.25Å; L102-K104 PolarHBondContact O-N 3.38Å; L102-V105 PolarHBondContact O-N 3.5Å; L102-V106 HydrophobicContact CD1-CB 4.09Å; L102-V106 HydrophobicContact CD1-CG2 3.71Å; L102-V106 PolarHBondContact O-N 3.36Å; L102-V106 VanDerWaalsContact O-N 3.14Å; L102-I112 HydrophobicContact CD1-CG2 4.3Å
103	L	97.7	Very high	97.6	Very high	79 Å²	79	102.6 Å²	102.6	41%	0.414	54%	0.542	S	S	.	.	H	α-helix	trans	-56	-38.9	178.9	176.4	65	0	0	0	112.9	V81 F84 L99 W100	V81-L103 HydrophobicContact CG1-CD1 4.18Å; V81-L103 HydrophobicContact CG1-CD2 4.33Å; V81-L103 HydrophobicContact CG2-CD1 4.44Å; F84-L103 HydrophobicContact CD2-CD2 4.47Å; F84-L103 HydrophobicContact CE2-CD2 3.58Å; F84-L103 HydrophobicContact CZ-CD2 4.3Å; L99-L103 WeakPolarHBondContact O-CB 3.25Å; L99-L103 PolarHBondContact O-N 2.88Å; W100-L103 HydrophobicContact CE3-CD2 4Å; W100-L103 HydrophobicContact CZ3-CD2 3.9Å
104	K	97.1	Very high	97.6	Very high	179 Å²	179	105.7 Å²	105.7	78%	0.778	56%	0.555	S	S	*	*	H	α-helix	trans	-81.6	-29.1	-174.6	-176.8	172	-178.8	175	0	113.9	W100 K101 L102	W100-K104 VanDerWaalsContact O-CB 3.29Å; W100-K104 WeakPolarHBondContact O-CB 3.41Å; W100-K104 PolarHBondContact O-N 3.05Å; W100-K104 VanDerWaalsContact O-N 3.08Å; K101-K104 PolarHBondContact O-N 3.09Å; L102-K104 VanDerWaalsContact C-N 3.25Å; L102-K104 PolarHBondContact O-N 3.38Å
105	V	98	Very high	97.5	Very high	60 Å²	60	102.6 Å²	102.6	36%	0.364	55%	0.546	S	S	.	.	H	α-helix	trans	-108.9	-35.5	-164.6	177.6	0	0	0	0	113.1	K101 L102	K101-V105 HydrophobicContact CD-CG2 3.74Å; K101-V105 HydrophobicContact CG-CG2 4.34Å; K101-V105 VanDerWaalsContact O-CB 3.31Å; K101-V105 WeakPolarHBondContact O-CB 3.46Å; K101-V105 WeakPolarHBondContact O-CG2 3.01Å; K101-V105 PolarHBondContact O-N 3.02Å; L102-V105 PolarHBondContact O-N 3.5Å
106	V	97.6	Very high	97.4	Very high	38 Å²	38	103.9 Å²	103.9	23%	0.23	55%	0.549	C	S	.	.			trans	-95.6	113.9	-174.1	-175.6	0	0	0	0	109.4	L102 E110 I112	L102-V106 HydrophobicContact CD1-CB 4.09Å; L102-V106 HydrophobicContact CD1-CG2 3.71Å; L102-V106 PolarHBondContact O-N 3.36Å; L102-V106 VanDerWaalsContact O-N 3.14Å; V106-E110 HydrophobicContact CG1-CB 4.1Å; V106-I112 HydrophobicContact CG2-CB 3.92Å; V106-I112 HydrophobicContact CG2-CD1 4.4Å; V106-I112 HydrophobicContact CG2-CG2 3.6Å
107	K	96	Very high	97.4	Very high	129 Å²	129	106.7 Å²	106.7	56%	0.561	57%	0.569	S	S	*	*			trans	-87.6	171.2	-179.5	-59.6	179.3	179.7	179.9	0	112	G109 E110	K107-G109 PolarHBondContact O-N 3.46Å; K107-E110 HydrophobicContact CB-CG 4.31Å; K107-E110 WeakPolarHBondContact CB-OE2 3.31Å; K107-E110 PolarHBondContact N-OE2 2.78Å; K107-E110 WeakPolarHBondContact O-CB 3.26Å; K107-E110 PolarHBondContact O-N 3.02Å; K107-E110 VanDerWaalsContact O-N 3.08Å
108	F	95.1	Very high	97.3	Very high	109 Å²	109	106.4 Å²	106.4	48%	0.478	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.3	129.2	172.1	-171.5	-89.9	0	0	0	111	Y69 P73 I76 E110	Y69-F108 HydrophobicContact CD2-CD2 4.08Å; Y69-F108 AromaticContact CD2-CE2 3.99Å; Y69-F108 HydrophobicContact CD2-CE2 3.99Å; Y69-F108 AromaticContact CE2-CD2 3.7Å; Y69-F108 HydrophobicContact CE2-CD2 3.7Å; Y69-F108 AromaticContact CE2-CE2 3.55Å; Y69-F108 HydrophobicContact CE2-CE2 3.55Å; P73-F108 HydrophobicContact CB-CE1 4.16Å; P73-F108 HydrophobicContact CB-CE2 4.4Å; P73-F108 HydrophobicContact CB-CZ 3.88Å; I76-F108 HydrophobicContact CG2-CB 4.15Å; I76-F108 HydrophobicContact CG2-CG 4.42Å; F108-E110 VanDerWaalsContact C-N 3.34Å
109	G	95.6	Very high	97.2	Very high	78 Å²	78	108.7 Å²	108.7	80%	0.804	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	85	-4.6	-177.6	0	0	0	0	0	115.5	K107	K107-G109 PolarHBondContact O-N 3.46Å
110	E	97.8	Very high	97.1	Very high	107 Å²	107	111.8 Å²	111.8	50%	0.5	60%	0.598	S	S	.	*			trans	-99.4	161.1	178	-62.6	-177.1	153.5	0	0	112.7	V106 K107 F108	V106-E110 HydrophobicContact CG1-CB 4.1Å; K107-E110 HydrophobicContact CB-CG 4.31Å; K107-E110 WeakPolarHBondContact CB-OE2 3.31Å; K107-E110 PolarHBondContact N-OE2 2.78Å; K107-E110 WeakPolarHBondContact O-CB 3.26Å; K107-E110 PolarHBondContact O-N 3.02Å; K107-E110 VanDerWaalsContact O-N 3.08Å; F108-E110 VanDerWaalsContact C-N 3.34Å
111	V	97.3	Very high	97	Very high	142 Å²	142	111.2 Å²	111.2	86%	0.861	61%	0.609	S	S	*	*			trans	-134.3	157.4	174.8	-62.3	0	0	0	0	110.5
112	I	97.4	Very high	96.9	Very high	115 Å²	115	108.9 Å²	108.9	59%	0.59	61%	0.61	S	S	*	*			trans	-139.6	144.2	175.6	-164.5	168.1	0	0	0	109.7	L102 V106	L102-I112 HydrophobicContact CD1-CG2 4.3Å; V106-I112 HydrophobicContact CG2-CB 3.92Å; V106-I112 HydrophobicContact CG2-CD1 4.4Å; V106-I112 HydrophobicContact CG2-CG2 3.6Å
113	S	95.1	Very high	96.8	Very high	185 Å²	185	111 Å²	111	100%	1.294	63%	0.625	S	S	*	*			trans	-102.9	0	177.9	64.4	0	0	0	0	112.6

Retrieved 113 of 113 residues in 55.8 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).