A0A077ZKC3_TRITR Loading...

DUF5641 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077ZKC3_TRITR|A0A077ZKC3
MAQFWKRWRTEYLVSLTGRNKWKASRAGPRVGDIVLVEEDIVKRQNWKLGRIEECQAGLDKVVRSVKVRTIDGVVTRPTRKLHLIEPAREVMDDVHRAGSVTSFAGMTSNVPASQV
					

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	70	Confident	87.8	Confident	199 Å²	199	135.7 Å²	135.7	98%	0.98	62%	0.622	S	S	*	*				0	-45.1	0	-61.9	-50	172.1	0	0	114.1	Q3 F4	M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 2.81Å; M1-F4 PolarHBondContact O-N 2.98Å
2	A	87.2	Confident	87.8	Confident	81 Å²	81	134 Å²	134	67%	0.669	61%	0.607	S	S	*	*	H	α-helix	trans	-61.6	-33	-176.6	0	0	0	0	0	115.5	W5 K6	A2-W5 PolarHBondContact O-N 3.24Å; A2-K6 WeakPolarHBondContact O-CB 3.38Å; A2-K6 PolarHBondContact O-N 3.04Å
3	Q	92.2	Very high	87.6	Confident	161 Å²	161	129.6 Å²	129.6	75%	0.752	59%	0.592	S	S	*	*	H	α-helix	trans	-65.5	-40.4	-178.9	-169.7	173.1	20.9	0	0	112.8	M1 K6 R7	M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 2.81Å; Q3-K6 PolarHBondContact O-N 3.23Å; Q3-R7 WeakPolarHBondContact O-CB 3.05Å; Q3-R7 PolarHBondContact O-N 3.42Å
4	F	88.9	Confident	87.4	Confident	131 Å²	131	127.1 Å²	127.1	58%	0.575	59%	0.591	S	S	*	*	H	α-helix	trans	-59.8	-50.6	176.5	174.7	-99	0	0	0	110.9	M1 K6 R7 W8	M1-F4 PolarHBondContact O-N 2.98Å; F4-K6 PolarHBondContact O-N 3.41Å; F4-R7 PolarHBondContact O-N 3.3Å; F4-W8 VanDerWaalsContact O-CB 3.3Å; F4-W8 WeakPolarHBondContact O-CB 3.38Å; F4-W8 PolarHBondContact O-N 3.18Å
5	W	90	Very high	87.2	Confident	157 Å²	157	123.8 Å²	123.8	60%	0.595	59%	0.587	S	S	*	*	H	α-helix	trans	-64.2	-37.5	179.9	-69.7	111	0	0	0	113.2	A2 W8 R9	A2-W5 PolarHBondContact O-N 3.24Å; W5-W8 HydrophobicContact CE3-CE3 4.16Å; W5-W8 HydrophobicContact CZ3-CE3 4.36Å; W5-R9 VanDerWaalsContact O-CB 3.29Å; W5-R9 WeakPolarHBondContact O-CB 3.49Å; W5-R9 PolarHBondContact O-N 3.34Å
6	K	91	Very high	86.9	Confident	147 Å²	147	122.8 Å²	122.8	64%	0.639	59%	0.585	S	S	*	*	H	α-helix	trans	-61.6	-48.8	173.6	-174.3	178.2	179.9	-179.3	0	110.8	A2 Q3 F4 R9 T10	A2-K6 WeakPolarHBondContact O-CB 3.38Å; A2-K6 PolarHBondContact O-N 3.04Å; Q3-K6 PolarHBondContact O-N 3.23Å; F4-K6 PolarHBondContact O-N 3.41Å; K6-R9 PolarHBondContact O-N 2.82Å; K6-T10 WeakPolarHBondContact O-CB 3.37Å; K6-T10 PolarHBondContact O-N 2.86Å; K6-T10 VanDerWaalsContact O-N 3.08Å; K6-T10 PolarHBondContact O-OG1 3.08Å; K6-T10 VanDerWaalsContact O-OG1 3.08Å
7	R	89.7	Confident	86.5	Confident	157 Å²	157	121.9 Å²	121.9	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-68.2	-45.7	-177.3	-158.8	172.8	-173.6	173.9	-1.6	112.2	Q3 F4 R9 T10 E11	Q3-R7 WeakPolarHBondContact O-CB 3.05Å; Q3-R7 PolarHBondContact O-N 3.42Å; F4-R7 PolarHBondContact O-N 3.3Å; R7-R9 PolarHBondContact O-N 3.44Å; R7-T10 PolarHBondContact O-N 3.28Å; R7-E11 HydrophobicContact CG-CG 4.25Å; R7-E11 WeakPolarHBondContact CG-OE1 3.18Å; R7-E11 IonicContact CZ-OE1 3.71Å; R7-E11 IonicContact NE-OE1 2.81Å; R7-E11 PolarHBondContact NE-OE1 3.02Å; R7-E11 IonicContact NE-OE2 3.59Å; R7-E11 IonicContact NH2-OE1 3.74Å; R7-E11 WeakPolarHBondContact O-CB 3.5Å; R7-E11 PolarHBondContact O-N 3.44Å
8	W	89.9	Confident	86.1	Confident	104 Å²	104	117.2 Å²	117.2	39%	0.394	58%	0.579	S	S	.	*	I	π-helix	trans	-55.3	-50.1	173.8	176.8	84.4	0	0	0	111.1	F4 W5 T10 Y12 L13	F4-W8 VanDerWaalsContact O-CB 3.3Å; F4-W8 WeakPolarHBondContact O-CB 3.38Å; F4-W8 PolarHBondContact O-N 3.18Å; W5-W8 HydrophobicContact CE3-CE3 4.16Å; W5-W8 HydrophobicContact CZ3-CE3 4.36Å; W8-T10 VanDerWaalsContact C-N 3.35Å; W8-T10 PolarHBondContact O-N 3.37Å; W8-Y12 AromaticContact CE2-CD1 3.66Å; W8-Y12 AromaticContact CZ2-CD1 3.92Å; W8-Y12 HydrophobicContact CZ2-CD1 3.92Å; W8-Y12 HydrophobicContact CZ2-CE1 4.29Å; W8-Y12 AromaticContact NE1-CD1 3.27Å; W8-Y12 VanDerWaalsContact NE1-CD1 3.27Å; W8-Y12 AromaticContact NE1-CE1 3.87Å; W8-Y12 AromaticContact NE1-CG 3.7Å; W8-Y12 WeakPolarHBondContact O-CA 3.29Å; W8-Y12 WeakPolarHBondContact O-CB 3.42Å; W8-Y12 PolarHBondContact O-N 3.08Å; W8-L13 HydrophobicContact CH2-CD2 4.26Å
9	R	87.9	Confident	85.6	Confident	163 Å²	163	121 Å²	121	62%	0.615	59%	0.586	S	S	*	*	I	π-helix	trans	-61.2	-42.3	179.9	-173	176.3	68.8	178.6	2.5	112.5	W5 K6 R7 L13	W5-R9 VanDerWaalsContact O-CB 3.29Å; W5-R9 WeakPolarHBondContact O-CB 3.49Å; W5-R9 PolarHBondContact O-N 3.34Å; K6-R9 PolarHBondContact O-N 2.82Å; R7-R9 PolarHBondContact O-N 3.44Å; R9-L13 HydrophobicContact CG-CD1 3.83Å; R9-L13 WeakPolarHBondContact O-CB 3.12Å
10	T	89	Confident	85	Confident	85 Å²	85	121.2 Å²	121.2	52%	0.521	59%	0.59	S	S	.	*	I	π-helix	trans	-78.6	-35.5	-175.2	-58.5	0	0	0	0	113	K6 R7 W8 V14	K6-T10 WeakPolarHBondContact O-CB 3.37Å; K6-T10 PolarHBondContact O-N 2.86Å; K6-T10 VanDerWaalsContact O-N 3.08Å; K6-T10 PolarHBondContact O-OG1 3.08Å; K6-T10 VanDerWaalsContact O-OG1 3.08Å; R7-T10 PolarHBondContact O-N 3.28Å; W8-T10 VanDerWaalsContact C-N 3.35Å; W8-T10 PolarHBondContact O-N 3.37Å; T10-V14 WeakPolarHBondContact O-CG2 3.3Å
11	E	90.5	Very high	84.4	Confident	108 Å²	108	124.8 Å²	124.8	51%	0.505	60%	0.603	S	S	.	*	I	π-helix	trans	-99.3	-44.3	-173.7	-62.5	-178.7	-152.6	0	0	112.3	R7 S15	R7-E11 HydrophobicContact CG-CG 4.25Å; R7-E11 WeakPolarHBondContact CG-OE1 3.18Å; R7-E11 IonicContact CZ-OE1 3.71Å; R7-E11 IonicContact NE-OE1 2.81Å; R7-E11 PolarHBondContact NE-OE1 3.02Å; R7-E11 IonicContact NE-OE2 3.59Å; R7-E11 IonicContact NH2-OE1 3.74Å; R7-E11 WeakPolarHBondContact O-CB 3.5Å; R7-E11 PolarHBondContact O-N 3.44Å; E11-S15 PolarHBondContact O-N 3.02Å
12	Y	86.9	Confident	84.5	Confident	115 Å²	115	125.5 Å²	125.5	45%	0.451	60%	0.595	S	S	.	*	I	π-helix	trans	-73.9	-46.9	-174.9	-176.5	-107.7	0	0	0	112.3	W8 V14 S15 L16	W8-Y12 AromaticContact CE2-CD1 3.66Å; W8-Y12 AromaticContact CZ2-CD1 3.92Å; W8-Y12 HydrophobicContact CZ2-CD1 3.92Å; W8-Y12 HydrophobicContact CZ2-CE1 4.29Å; W8-Y12 AromaticContact NE1-CD1 3.27Å; W8-Y12 VanDerWaalsContact NE1-CD1 3.27Å; W8-Y12 AromaticContact NE1-CE1 3.87Å; W8-Y12 AromaticContact NE1-CG 3.7Å; W8-Y12 WeakPolarHBondContact O-CA 3.29Å; W8-Y12 WeakPolarHBondContact O-CB 3.42Å; W8-Y12 PolarHBondContact O-N 3.08Å; Y12-V14 VanDerWaalsContact C-N 3.28Å; Y12-V14 PolarHBondContact O-N 3.42Å; Y12-S15 WeakPolarHBondContact O-CB 3.43Å; Y12-S15 PolarHBondContact O-N 3.25Å; Y12-S15 VanDerWaalsContact O-N 3.08Å; Y12-S15 PolarHBondContact O-OG 3.08Å; Y12-L16 HydrophobicContact CD1-CD1 4.15Å; Y12-L16 HydrophobicContact CE1-CD1 3.71Å; Y12-L16 HydrophobicContact CE1-CD2 4.49Å; Y12-L16 HydrophobicContact CE1-CG 4.27Å; Y12-L16 PolarHBondContact O-N 3.47Å
13	L	85.9	Confident	83.6	Confident	77 Å²	77	129.3 Å²	129.3	40%	0.403	60%	0.596	S	S	.	*	H	α-helix	trans	-61.3	-38.4	-179.7	-67	-179	0	0	0	112.3	W8 R9 S15 L16	W8-L13 HydrophobicContact CH2-CD2 4.26Å; R9-L13 HydrophobicContact CG-CD1 3.83Å; R9-L13 WeakPolarHBondContact O-CB 3.12Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 3.12Å; L13-L16 HydrophobicContact CD2-CD1 4.43Å; L13-L16 PolarHBondContact O-N 3.28Å
14	V	84.8	Confident	82.4	Confident	95 Å²	95	125.4 Å²	125.4	58%	0.576	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-40.8	176.4	176.8	0	0	0	0	110.5	T10 Y12 L16 T17	T10-V14 WeakPolarHBondContact O-CG2 3.3Å; Y12-V14 VanDerWaalsContact C-N 3.28Å; Y12-V14 PolarHBondContact O-N 3.42Å; V14-L16 PolarHBondContact O-N 3.46Å; V14-T17 PolarHBondContact O-N 3.29Å; V14-T17 VanDerWaalsContact O-N 3.07Å; V14-T17 PolarHBondContact O-OG1 3.32Å
15	S	84.3	Confident	81.4	Confident	77 Å²	77	125.1 Å²	125.1	54%	0.538	61%	0.606	S	S	.	*	H	α-helix	trans	-60.1	-31	177.6	80	0	0	0	0	113.4	E11 Y12 L13 T17	E11-S15 PolarHBondContact O-N 3.02Å; Y12-S15 WeakPolarHBondContact O-CB 3.43Å; Y12-S15 PolarHBondContact O-N 3.25Å; Y12-S15 VanDerWaalsContact O-N 3.08Å; Y12-S15 PolarHBondContact O-OG 3.08Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 3.12Å; S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 2.62Å
16	L	82.1	Confident	80.6	Confident	107 Å²	107	126 Å²	126	56%	0.56	61%	0.609	S	S	*	*	H	α-helix	trans	-74.5	-17.6	178.3	-62.3	177.2	0	0	0	113.6	Y12 L13 V14 G18	Y12-L16 HydrophobicContact CD1-CD1 4.15Å; Y12-L16 HydrophobicContact CE1-CD1 3.71Å; Y12-L16 HydrophobicContact CE1-CD2 4.49Å; Y12-L16 HydrophobicContact CE1-CG 4.27Å; Y12-L16 PolarHBondContact O-N 3.47Å; L13-L16 HydrophobicContact CD2-CD1 4.43Å; L13-L16 PolarHBondContact O-N 3.28Å; V14-L16 PolarHBondContact O-N 3.46Å; L16-G18 PolarHBondContact O-N 2.89Å
17	T	80.1	Confident	80.1	Confident	108 Å²	108	122.1 Å²	122.1	66%	0.663	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-11.5	-179.4	65.6	0	0	0	0	113.3	V14 S15 R19	V14-T17 PolarHBondContact O-N 3.29Å; V14-T17 VanDerWaalsContact O-N 3.07Å; V14-T17 PolarHBondContact O-OG1 3.32Å; S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 2.62Å; T17-R19 PolarHBondContact O-N 3.06Å
18	G	79.9	Confident	80	Confident	38 Å²	38	116.8 Å²	116.8	39%	0.392	60%	0.598	S	S	.	*			trans	-63.6	99	178.7	0	0	0	0	0	113.3	L16 N20	L16-G18 PolarHBondContact O-N 2.89Å; G18-N20 PolarHBondContact O-N 2.97Å
19	R	76.6	Confident	80.1	Confident	189 Å²	189	112.8 Å²	112.8	71%	0.713	59%	0.585	S	S	*	*			trans	-76.9	85.2	168.4	-77.8	-168.2	179.6	116.5	-0.8	111	T17 K23	T17-R19 PolarHBondContact O-N 3.06Å; R19-K23 WeakPolarHBondContact O-CG 3.45Å
20	N	72.7	Confident	80.4	Confident	124 Å²	124	112.4 Å²	112.4	66%	0.663	58%	0.584	S	S	*	*			trans	-73	-31.7	179.4	-67.2	-29.4	0	0	0	113.2	G18 W22 K23	G18-N20 PolarHBondContact O-N 2.97Å; N20-W22 VanDerWaalsContact C-N 3.28Å; N20-W22 PolarHBondContact O-N 3.23Å; N20-K23 PolarHBondContact O-N 3.23Å
21	K	72	Confident	80.7	Confident	197 Å²	197	112.5 Å²	112.5	86%	0.857	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-27.1	-173	-64.6	-174.3	179.8	-178.1	0	114.9
22	W	72.9	Confident	81	Confident	215 Å²	215	107.9 Å²	107.9	81%	0.814	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-2	-171.6	-53.2	97.1	0	0	0	113.7	N20	N20-W22 VanDerWaalsContact C-N 3.28Å; N20-W22 PolarHBondContact O-N 3.23Å
23	K	68.1	Low	81.5	Confident	160 Å²	160	102.9 Å²	102.9	70%	0.696	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-32.9	-177.7	-69.4	-178.4	-179.6	-174.2	0	112.8	R19 N20 S25	R19-K23 WeakPolarHBondContact O-CG 3.45Å; N20-K23 PolarHBondContact O-N 3.23Å; K23-S25 PolarHBondContact O-N 3.33Å
24	A	67	Low	82	Confident	79 Å²	79	101.1 Å²	101.1	65%	0.653	54%	0.537	S	S	*	.			trans	-81.8	108.6	-178	0	0	0	0	0	109.7	R26	A24-R26 PolarHBondContact O-N 3.44Å
25	S	69	Low	82.6	Confident	126 Å²	126	96.8 Å²	96.8	88%	0.881	51%	0.511	S	S	*	.			trans	-65.4	87.7	161	-173.2	0	0	0	0	107.5	K23 A27	K23-S25 PolarHBondContact O-N 3.33Å; S25-A27 PolarHBondContact O-N 2.69Å
26	R	72.1	Confident	83.2	Confident	175 Å²	175	95.2 Å²	95.2	66%	0.66	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-65.6	132.9	173.7	-174.4	173.5	-177.8	-93.6	0.8	107.1	A24 G28	A24-R26 PolarHBondContact O-N 3.44Å; R26-G28 PolarHBondContact O-N 3.07Å; R26-G28 VanDerWaalsContact O-N 3.14Å
27	A	80.6	Confident	83.9	Confident	66 Å²	66	90.2 Å²	90.2	55%	0.545	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-49.2	125.5	171.7	0	0	0	0	0	109.2	S25	S25-A27 PolarHBondContact O-N 2.69Å
28	G	87.2	Confident	84.7	Confident	44 Å²	44	87.6 Å²	87.6	45%	0.454	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-63.2	166	176.7	0	0	0	0	0	111.3	R26 R30	R26-G28 PolarHBondContact O-N 3.07Å; R26-G28 VanDerWaalsContact O-N 3.14Å; G28-R30 PolarHBondContact O-N 2.85Å
29	P	93.1	Very high	85.3	Confident	20 Å²	20	87.8 Å²	87.8	13%	0.13	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-57.5	138.2	174.6	26.1	-34.7	0	0	0	110.7	I52 C55 V63 V66 T79	P29-I52 HydrophobicContact CB-CD1 3.56Å; P29-C55 PolarHBondContact O-SG 3.01Å; P29-V63 HydrophobicContact CG-CB 4.29Å; P29-V63 HydrophobicContact CG-CG1 3.82Å; P29-V66 HydrophobicContact CB-CG2 4.15Å; P29-V66 HydrophobicContact CG-CG2 3.74Å; P29-T79 HydrophobicContact CG-CG2 3.7Å
30	R	93.5	Very high	85.9	Confident	155 Å²	155	85 Å²	85	59%	0.585	44%	0.44	S	S	*	.			trans	-113.9	153.2	178.5	-64	-176.9	176.7	-130.4	1.2	110.7	G28 G32 D33 I52	G28-R30 PolarHBondContact O-N 2.85Å; R30-G32 PolarHBondContact O-N 3.05Å; R30-D33 PolarHBondContact N-OD2 2.86Å; R30-D33 WeakPolarHBondContact O-CB 3.47Å; R30-D33 VanDerWaalsContact O-CG 3.31Å; R30-D33 PolarHBondContact O-N 3.04Å; R30-I52 WeakPolarHBondContact O-CB 3.48Å; R30-I52 WeakPolarHBondContact O-CG2 3.45Å
31	V	96	Very high	86.8	Confident	88 Å²	88	87.4 Å²	87.4	53%	0.533	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	131.5	172.7	177.2	0	0	0	0	109	E53 A88	V31-E53 WeakPolarHBondContact CG1-O 3.18Å; V31-A88 WeakPolarHBondContact O-CB 3.27Å
32	G	96.2	Very high	87.8	Confident	10 Å²	10	80.3 Å²	80.3	10%	0.103	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-11.9	-177	0	0	0	0	0	115.5	R30 I52	R30-G32 PolarHBondContact O-N 3.05Å; G32-I52 PolarHBondContact N-O 2.99Å
33	D	96.5	Very high	88.9	Confident	11 Å²	11	77.2 Å²	77.2	6%	0.059	42%	0.416	C	S	.	.			trans	-61.2	140.6	175.2	-70.5	-14.3	0	0	0	110.4	R30 V35 R51 I52 L84 A88	R30-D33 PolarHBondContact N-OD2 2.86Å; R30-D33 WeakPolarHBondContact O-CB 3.47Å; R30-D33 VanDerWaalsContact O-CG 3.31Å; R30-D33 PolarHBondContact O-N 3.04Å; D33-V35 HydrophobicContact CB-CG1 4.2Å; D33-R51 WeakPolarHBondContact O-CA 3.34Å; D33-I52 HydrophobicContact CB-CD1 3.89Å; D33-I52 HydrophobicContact CB-CG1 4.27Å; D33-I52 PolarHBondContact O-N 3.14Å; D33-L84 HydrophobicContact CB-CD1 3.75Å; D33-A88 WeakPolarHBondContact OD1-CB 3.25Å; D33-A88 PolarHBondContact OD1-N 2.9Å
34	I	97.2	Very high	90.2	Very high	39 Å²	39	76.9 Å²	76.9	20%	0.2	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.9	171.3	-53.1	-58.4	0	0	0	108.5	L49 R51 I85 E86	I34-L49 HydrophobicContact CG2-CD1 3.7Å; I34-L49 HydrophobicContact CG2-CD2 3.91Å; I34-L49 HydrophobicContact CG2-CG 3.76Å; I34-R51 HydrophobicContact CD1-CB 3.77Å; I34-R51 HydrophobicContact CD1-CG 3.83Å; I34-I85 PolarHBondContact O-N 2.93Å; I34-E86 HydrophobicContact CB-CB 4.01Å; I34-E86 HydrophobicContact CG1-CB 4.22Å; I34-E86 PolarHBondContact N-O 2.9Å; I34-E86 PolarHBondContact O-N 2.85Å; I34-E86 VanDerWaalsContact O-N 3.16Å
35	V	97.3	Very high	91.5	Very high	4 Å²	4	80.5 Å²	80.5	2%	0.024	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.6	-172.5	-57.8	0	0	0	0	111.7	D33 G50 I52 V68 L82 H83 L84	D33-V35 HydrophobicContact CB-CG1 4.2Å; V35-G50 PolarHBondContact N-O 3.29Å; V35-G50 PolarHBondContact O-N 3.3Å; V35-I52 HydrophobicContact CG1-CD1 3.89Å; V35-I52 HydrophobicContact CG1-CG1 4.15Å; V35-I52 HydrophobicContact CG2-CG1 4.09Å; V35-V68 HydrophobicContact CG2-CG1 4.01Å; V35-V68 HydrophobicContact CG2-CG2 4.37Å; V35-L82 HydrophobicContact CB-CB 4.46Å; V35-L82 HydrophobicContact CG2-CB 4.49Å; V35-L82 HydrophobicContact CG2-CD2 4.01Å; V35-H83 CarbonylContact C-O 3.49Å; V35-H83 WeakPolarHBondContact CA-O 3.41Å; V35-H83 WeakPolarHBondContact CB-O 3.45Å; V35-L84 HydrophobicContact CG1-CD1 4.3Å
36	L	97.6	Very high	92.7	Very high	45 Å²	45	79.2 Å²	79.2	24%	0.236	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136	160.9	-71	173.5	0	0	0	109.7	W47 K48 L49 H83 I85	L36-W47 HydrophobicContact CB-CE3 4.45Å; L36-K48 WeakPolarHBondContact CA-O 3.46Å; L36-L49 HydrophobicContact CD2-CB 4.45Å; L36-L49 HydrophobicContact CD2-CD1 3.81Å; L36-L49 HydrophobicContact CG-CD1 4.27Å; L36-H83 HydrophobicContact CB-CB 4.27Å; L36-H83 PolarHBondContact N-O 2.86Å; L36-H83 PolarHBondContact O-N 3.44Å; L36-I85 HydrophobicContact CD1-CD1 3.77Å; L36-I85 HydrophobicContact CD1-CG1 4.33Å; L36-I85 HydrophobicContact CG-CD1 3.85Å; L36-I85 HydrophobicContact CG-CG1 3.83Å
37	V	96.9	Very high	93.9	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.006	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.5	178.6	179.8	0	0	0	0	109.6	W47 K48 V68 T70 R77 L82	V37-W47 WeakPolarHBondContact O-CB 3.19Å; V37-K48 PolarHBondContact N-O 2.88Å; V37-V68 HydrophobicContact CG2-CB 4.34Å; V37-V68 HydrophobicContact CG2-CG1 3.82Å; V37-T70 HydrophobicContact CG2-CG2 4.01Å; V37-R77 HydrophobicContact CG1-CG 3.69Å; V37-L82 HydrophobicContact CG2-CD2 4Å
38	E	96.4	Very high	94.6	Very high	53 Å²	53	71.6 Å²	71.6	25%	0.248	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-71.6	130.5	174.5	172.3	169.5	-145.8	0	0	111.3	W47 K81 H83	E38-W47 HydrophobicContact CB-CD2 4.25Å; E38-W47 HydrophobicContact CB-CE3 4.3Å; E38-W47 HydrophobicContact CB-CH2 3.78Å; E38-W47 HydrophobicContact CB-CZ2 3.78Å; E38-W47 HydrophobicContact CB-CZ3 4.07Å; E38-W47 HydrophobicContact CG-CH2 3.73Å; E38-W47 HydrophobicContact CG-CZ2 3.42Å; E38-W47 VanDerWaalsContact CG-CZ2 3.42Å; E38-K81 HydrophobicContact CB-CB 3.97Å; E38-K81 HydrophobicContact CB-CG 4.3Å; E38-K81 WeakPolarHBondContact CB-O 3.45Å; E38-K81 HydrophobicContact CG-CG 4.37Å; E38-K81 PolarHBondContact N-O 2.85Å; E38-H83 IonicContact OE2-NE2 2.81Å
39	E	92.2	Very high	95	Very high	43 Å²	43	73.4 Å²	73.4	20%	0.201	36%	0.355	C	S	.	.			trans	-125.1	132	175.9	-67.1	-177.6	-143.2	0	0	109.3	I41 V42 K48	E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 3.21Å; E39-V42 HydrophobicContact CB-CB 3.89Å; E39-V42 HydrophobicContact CB-CG2 3.74Å; E39-V42 PolarHBondContact O-N 2.78Å; E39-K48 VanDerWaalsContact OE1-CD 3.25Å; E39-K48 WeakPolarHBondContact OE1-CD 3.49Å; E39-K48 VanDerWaalsContact OE1-CE 3.27Å; E39-K48 WeakPolarHBondContact OE1-CE 3.31Å; E39-K48 IonicContact OE1-NZ 3.48Å; E39-K48 PolarHBondContact OE1-NZ 2.99Å; E39-K48 IonicContact OE2-NZ 2.85Å; E39-K48 PolarHBondContact OE2-NZ 3.37Å
40	D	88.9	Confident	95.2	Very high	130 Å²	130	72.7 Å²	72.7	70%	0.695	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.7	-165	-63.5	-43.3	0	0	0	114.2	K81	D40-K81 WeakPolarHBondContact OD1-CE 3.39Å; D40-K81 IonicContact OD1-NZ 3.79Å; D40-K81 PolarHBondContact OD1-NZ 2.84Å; D40-K81 IonicContact OD2-NZ 2.65Å; D40-K81 PolarHBondContact OD2-NZ 2.92Å
41	I	92.6	Very high	95.4	Very high	174 Å²	174	72.5 Å²	72.5	89%	0.892	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.6	-176	-53.2	168.2	0	0	0	111.1	E39	E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 3.21Å
42	V	93.5	Very high	95.5	Very high	48 Å²	48	68.4 Å²	68.4	29%	0.291	33%	0.326	S	S	.	.	S	Bend	trans	-106.3	131.1	-170.3	-175.5	0	0	0	0	110	E39 N46 W47	E39-V42 HydrophobicContact CB-CB 3.89Å; E39-V42 HydrophobicContact CB-CG2 3.74Å; E39-V42 PolarHBondContact O-N 2.78Å; V42-N46 HydrophobicContact CG1-CB 3.43Å; V42-N46 VanDerWaalsContact CG1-CB 3.43Å; V42-N46 WeakPolarHBondContact CG1-O 3.4Å; V42-W47 PolarHBondContact O-NE1 2.73Å
43	K	95.8	Very high	95.5	Very high	150 Å²	150	71.7 Å²	71.7	65%	0.652	34%	0.338	S	S	*	.			trans	-58.9	143.8	173.5	-66.3	-178.2	-179.8	177.7	0	109.9	Q45 N46 W47	K43-Q45 HydrophobicContact CB-CG 4.12Å; K43-Q45 PolarHBondContact O-N 3.14Å; K43-N46 WeakPolarHBondContact O-CA 3.43Å; K43-N46 WeakPolarHBondContact O-CB 3.49Å; K43-N46 PolarHBondContact O-N 3.45Å; K43-W47 PolarHBondContact O-N 3.06Å
44	R	93.8	Very high	95.6	Very high	154 Å²	154	75.3 Å²	75.3	58%	0.581	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-48.7	-39.4	-178.4	-176	-179.7	-63.7	-85.4	-7.9	114.6	N46 W47	R44-N46 PolarHBondContact O-N 2.67Å; R44-W47 HydrophobicContact CB-CD2 4.26Å; R44-W47 HydrophobicContact CB-CE3 4.5Å; R44-W47 HydrophobicContact CB-CZ2 4.3Å; R44-W47 HydrophobicContact CG-CD2 4.06Å; R44-W47 HydrophobicContact CG-CE3 3.82Å; R44-W47 HydrophobicContact CG-CH2 4.23Å; R44-W47 HydrophobicContact CG-CZ2 4.4Å; R44-W47 HydrophobicContact CG-CZ3 3.92Å; R44-W47 VanDerWaalsContact NH1-CH2 3.26Å; R44-W47 WeakPolarHBondContact O-CB 3.47Å; R44-W47 PolarHBondContact O-N 2.87Å; R44-W47 VanDerWaalsContact O-N 3.14Å
45	Q	94.4	Very high	95.5	Very high	155 Å²	155	75 Å²	75	72%	0.724	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62.6	-22.4	178.3	66.8	-172.1	5.4	0	0	114	K43	K43-Q45 HydrophobicContact CB-CG 4.12Å; K43-Q45 PolarHBondContact O-N 3.14Å
46	N	94.7	Very high	95.4	Very high	99 Å²	99	77.8 Å²	77.8	53%	0.529	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-105.5	8.5	-179.9	-65.6	-13.6	0	0	0	111.7	V42 K43 R44 K48	V42-N46 HydrophobicContact CG1-CB 3.43Å; V42-N46 VanDerWaalsContact CG1-CB 3.43Å; V42-N46 WeakPolarHBondContact CG1-O 3.4Å; K43-N46 WeakPolarHBondContact O-CA 3.43Å; K43-N46 WeakPolarHBondContact O-CB 3.49Å; K43-N46 PolarHBondContact O-N 3.45Å; R44-N46 PolarHBondContact O-N 2.67Å; N46-K48 PolarHBondContact O-N 2.97Å
47	W	96.8	Very high	95.2	Very high	21 Å²	21	78.6 Å²	78.6	8%	0.08	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-63.2	136.8	172.8	-73.1	-5.6	0	0	0	110.1	L36 V37 E38 V42 K43 R44 H83	L36-W47 HydrophobicContact CB-CE3 4.45Å; V37-W47 WeakPolarHBondContact O-CB 3.19Å; E38-W47 HydrophobicContact CB-CD2 4.25Å; E38-W47 HydrophobicContact CB-CE3 4.3Å; E38-W47 HydrophobicContact CB-CH2 3.78Å; E38-W47 HydrophobicContact CB-CZ2 3.78Å; E38-W47 HydrophobicContact CB-CZ3 4.07Å; E38-W47 HydrophobicContact CG-CH2 3.73Å; E38-W47 HydrophobicContact CG-CZ2 3.42Å; E38-W47 VanDerWaalsContact CG-CZ2 3.42Å; V42-W47 PolarHBondContact O-NE1 2.73Å; K43-W47 PolarHBondContact O-N 3.06Å; R44-W47 HydrophobicContact CB-CD2 4.26Å; R44-W47 HydrophobicContact CB-CE3 4.5Å; R44-W47 HydrophobicContact CB-CZ2 4.3Å; R44-W47 HydrophobicContact CG-CD2 4.06Å; R44-W47 HydrophobicContact CG-CE3 3.82Å; R44-W47 HydrophobicContact CG-CH2 4.23Å; R44-W47 HydrophobicContact CG-CZ2 4.4Å; R44-W47 HydrophobicContact CG-CZ3 3.92Å; R44-W47 VanDerWaalsContact NH1-CH2 3.26Å; R44-W47 WeakPolarHBondContact O-CB 3.47Å; R44-W47 PolarHBondContact O-N 2.87Å; R44-W47 VanDerWaalsContact O-N 3.14Å; W47-H83 AromaticContact CE3-CD2 3.98Å; W47-H83 AromaticContact CH2-NE2 3.66Å; W47-H83 AromaticContact CZ3-CD2 3.31Å; W47-H83 WeakPolarHBondContact CZ3-CD2 3.38Å; W47-H83 AromaticContact CZ3-NE2 3.31Å; W47-H83 VanDerWaalsContact CZ3-NE2 3.31Å; W47-H83 WeakPolarHBondContact CZ3-NE2 2.84Å
48	K	95.4	Very high	94.9	Very high	59 Å²	59	80.2 Å²	80.2	26%	0.257	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139.8	-174.4	-64.9	177.5	-165.9	139	0	109.9	L36 V37 E39 N46 T70 D72	L36-K48 WeakPolarHBondContact CA-O 3.46Å; V37-K48 PolarHBondContact N-O 2.88Å; E39-K48 VanDerWaalsContact OE1-CD 3.25Å; E39-K48 WeakPolarHBondContact OE1-CD 3.49Å; E39-K48 VanDerWaalsContact OE1-CE 3.27Å; E39-K48 WeakPolarHBondContact OE1-CE 3.31Å; E39-K48 IonicContact OE1-NZ 3.48Å; E39-K48 PolarHBondContact OE1-NZ 2.99Å; E39-K48 IonicContact OE2-NZ 2.85Å; E39-K48 PolarHBondContact OE2-NZ 3.37Å; N46-K48 PolarHBondContact O-N 2.97Å; K48-T70 HydrophobicContact CB-CG2 4.38Å; K48-D72 VanDerWaalsContact CD-OD2 3.27Å; K48-D72 WeakPolarHBondContact CD-OD2 3.41Å; K48-D72 WeakPolarHBondContact CE-OD2 3.31Å; K48-D72 IonicContact NZ-OD2 3.48Å; K48-D72 PolarHBondContact NZ-OD2 3.28Å
49	L	97.1	Very high	94.8	Very high	83 Å²	83	86.4 Å²	86.4	44%	0.435	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	143	167	-160.6	70.2	0	0	0	109	I34 L36 I85	I34-L49 HydrophobicContact CG2-CD1 3.7Å; I34-L49 HydrophobicContact CG2-CD2 3.91Å; I34-L49 HydrophobicContact CG2-CG 3.76Å; L36-L49 HydrophobicContact CD2-CB 4.45Å; L36-L49 HydrophobicContact CD2-CD1 3.81Å; L36-L49 HydrophobicContact CG-CD1 4.27Å; L49-I85 HydrophobicContact CD1-CG1 4.12Å
50	G	97.1	Very high	94.8	Very high	5 Å²	5	88.3 Å²	88.3	5%	0.052	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.7	173.9	0	0	0	0	0	112.9	V35 R69	V35-G50 PolarHBondContact N-O 3.29Å; V35-G50 PolarHBondContact O-N 3.3Å; G50-R69 CarbonylContact C-O 3.6Å; G50-R69 WeakPolarHBondContact CA-O 3.42Å
51	R	97.7	Very high	94.7	Very high	151 Å²	151	91 Å²	91	57%	0.57	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.9	175.3	-177.3	172.8	177.8	-176.2	-2.3	109.4	D33 I34 E53 V68 R69	D33-R51 WeakPolarHBondContact O-CA 3.34Å; I34-R51 HydrophobicContact CD1-CB 3.77Å; I34-R51 HydrophobicContact CD1-CG 3.83Å; R51-E53 PolarHBondContact O-N 3.16Å; R51-V68 WeakPolarHBondContact O-CA 3.44Å; R51-R69 PolarHBondContact N-O 2.85Å; R51-R69 PolarHBondContact O-N 2.78Å
52	I	97.7	Very high	94.6	Very high	1 Å²	1	86.1 Å²	86.1	1%	0.005	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.7	174.7	-61.4	-174.3	0	0	0	109.4	P29 R30 G32 D33 V35 V66 V68 L82	P29-I52 HydrophobicContact CB-CD1 3.56Å; R30-I52 WeakPolarHBondContact O-CB 3.48Å; R30-I52 WeakPolarHBondContact O-CG2 3.45Å; G32-I52 PolarHBondContact N-O 2.99Å; D33-I52 HydrophobicContact CB-CD1 3.89Å; D33-I52 HydrophobicContact CB-CG1 4.27Å; D33-I52 PolarHBondContact O-N 3.14Å; V35-I52 HydrophobicContact CG1-CD1 3.89Å; V35-I52 HydrophobicContact CG1-CG1 4.15Å; V35-I52 HydrophobicContact CG2-CG1 4.09Å; I52-V66 HydrophobicContact CB-CG1 4.02Å; I52-V66 HydrophobicContact CD1-CG1 3.98Å; I52-V66 HydrophobicContact CG1-CG1 3.88Å; I52-V66 HydrophobicContact CG2-CG1 3.18Å; I52-V68 HydrophobicContact CG1-CG2 4.35Å; I52-L82 HydrophobicContact CD1-CD1 4.41Å
53	E	96.9	Very high	94.6	Very high	79 Å²	79	85.4 Å²	85.4	37%	0.369	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-39.7	175.8	-71.5	-169.7	149.4	0	0	111.9	V31 R51 K67 R69	V31-E53 WeakPolarHBondContact CG1-O 3.18Å; R51-E53 PolarHBondContact O-N 3.16Å; E53-K67 PolarHBondContact N-O 2.87Å; E53-R69 HydrophobicContact CG-CB 3.91Å; E53-R69 WeakPolarHBondContact OE1-CD 3.48Å; E53-R69 IonicContact OE1-CZ 3.35Å; E53-R69 IonicContact OE1-NE 3.93Å; E53-R69 PolarHBondContact OE1-NE 2.96Å; E53-R69 IonicContact OE1-NH1 3.17Å; E53-R69 PolarHBondContact OE1-NH1 3.33Å
54	E	97.2	Very high	94.5	Very high	87 Å²	87	84.8 Å²	84.8	41%	0.407	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	129.5	-175.8	-168.2	-167.6	148.6	0	0	111.1	V66 K67	E54-V66 CarbonylContact O-C 3.48Å; E54-V66 WeakPolarHBondContact O-CA 3.38Å; E54-V66 VanDerWaalsContact O-CG1 3.28Å; E54-V66 WeakPolarHBondContact O-CG1 3.33Å; E54-K67 HydrophobicContact CB-CB 4.16Å; E54-K67 HydrophobicContact CB-CD 4.33Å; E54-K67 HydrophobicContact CB-CG 4.49Å; E54-K67 PolarHBondContact N-O 3.44Å; E54-K67 PolarHBondContact O-N 2.88Å; E54-K67 IonicContact OE1-NZ 2.81Å; E54-K67 WeakPolarHBondContact OE2-CD 3.35Å; E54-K67 WeakPolarHBondContact OE2-CE 3.37Å; E54-K67 IonicContact OE2-NZ 2.69Å; E54-K67 PolarHBondContact OE2-NZ 2.85Å
55	C	95.6	Very high	94.6	Very high	34 Å²	34	79.1 Å²	79.1	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.5	173.5	-69.3	0	0	0	0	110.4	P29 A57 V63	P29-C55 PolarHBondContact O-SG 3.01Å; C55-A57 PolarHBondContact O-N 3.48Å; C55-V63 HydrophobicContact CB-CG1 3.89Å; C55-V63 HydrophobicContact CB-CG2 3.99Å
56	Q	95	Very high	94.7	Very high	62 Å²	62	71.8 Å²	71.8	29%	0.29	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	98.8	178.7	-56.4	-179.9	-46.4	0	0	109.5	S65	Q56-S65 WeakPolarHBondContact CA-O 3.02Å; Q56-S65 WeakPolarHBondContact CB-O 3.37Å; Q56-S65 WeakPolarHBondContact CB-OG 3.43Å; Q56-S65 PolarHBondContact N-O 2.84Å; Q56-S65 PolarHBondContact OE1-OG 3.37Å
57	A	92.7	Very high	94.9	Very high	62 Å²	62	70.2 Å²	70.2	51%	0.512	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141	175.8	0	0	0	0	0	111.2	C55 V63	C55-A57 PolarHBondContact O-N 3.48Å; A57-V63 HydrophobicContact CB-CG2 4.14Å
58	G	91.7	Very high	95	Very high	34 Å²	34	69.2 Å²	69.2	35%	0.351	35%	0.351	S	S	.	.			trans	-77	-178.5	169.6	0	0	0	0	0	112.7	D60 K61 V62	G58-D60 PolarHBondContact O-N 3.26Å; G58-K61 WeakPolarHBondContact O-CA 3.46Å; G58-K61 PolarHBondContact O-N 2.81Å; G58-V62 PolarHBondContact N-O 2.65Å
59	L	93	Very high	95.1	Very high	184 Å²	184	73.6 Å²	73.6	96%	0.963	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.2	175.9	-168.8	68.3	0	0	0	112.7	K61	L59-K61 PolarHBondContact O-N 3.38Å
60	D	92.2	Very high	95	Very high	82 Å²	82	70.3 Å²	70.3	44%	0.439	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.4	175.5	65.9	-20.2	0	0	0	113.7	G58 V62 R64	G58-D60 PolarHBondContact O-N 3.26Å; D60-V62 HydrophobicContact CB-CG2 4.49Å; D60-V62 PolarHBondContact O-N 2.9Å; D60-V62 PolarHBondContact OD1-N 3.21Å; D60-V62 WeakPolarHBondContact OD2-CG2 3.28Å; D60-R64 IonicContact OD1-CZ 2.72Å; D60-R64 IonicContact OD1-NH1 3.9Å; D60-R64 PolarHBondContact OD1-NH1 3.26Å; D60-R64 IonicContact OD1-NH2 2.63Å; D60-R64 IonicContact OD2-CZ 3.37Å; D60-R64 IonicContact OD2-NH1 2.92Å; D60-R64 PolarHBondContact OD2-NH1 3.21Å; D60-R64 IonicContact OD2-NH2 3.75Å; D60-R64 PolarHBondContact OD2-NH2 3.18Å
61	K	87.7	Confident	94.9	Very high	187 Å²	187	77.4 Å²	77.4	81%	0.813	39%	0.385	S	S	*	.	S	Bend	trans	64	14.5	-177.7	-52.2	176.4	179.7	179.7	0	114.1	G58 L59	G58-K61 WeakPolarHBondContact O-CA 3.46Å; G58-K61 PolarHBondContact O-N 2.81Å; L59-K61 PolarHBondContact O-N 3.38Å
62	V	90.7	Very high	94.6	Very high	71 Å²	71	75.8 Å²	75.8	43%	0.43	39%	0.387	S	S	.	.			trans	-92.6	125.1	176.4	179.5	0	0	0	0	109.9	G58 D60 R64	G58-V62 PolarHBondContact N-O 2.65Å; D60-V62 HydrophobicContact CB-CG2 4.49Å; D60-V62 PolarHBondContact O-N 2.9Å; D60-V62 PolarHBondContact OD1-N 3.21Å; D60-V62 WeakPolarHBondContact OD2-CG2 3.28Å; V62-R64 HydrophobicContact CG1-CG 4.31Å; V62-R64 PolarHBondContact O-N 2.93Å; V62-R64 PolarHBondContact O-NH1 3.17Å
63	V	93.6	Very high	94.5	Very high	34 Å²	34	77.1 Å²	77.1	21%	0.206	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.9	176.1	-176.7	0	0	0	0	109.5	P29 C55 A57 S65 V66 T79	P29-V63 HydrophobicContact CG-CB 4.29Å; P29-V63 HydrophobicContact CG-CG1 3.82Å; C55-V63 HydrophobicContact CB-CG1 3.89Å; C55-V63 HydrophobicContact CB-CG2 3.99Å; A57-V63 HydrophobicContact CB-CG2 4.14Å; V63-S65 WeakPolarHBondContact CG1-O 3.49Å; V63-V66 HydrophobicContact CG1-CG2 3.7Å; V63-T79 PolarHBondContact O-OG1 3.06Å
64	R	93.5	Very high	94.5	Very high	137 Å²	137	77.1 Å²	77.1	52%	0.517	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-23	178.4	-66.1	178.8	-179.2	79.2	-2	113	D60 V62 P78 T79	D60-R64 IonicContact OD1-CZ 2.72Å; D60-R64 IonicContact OD1-NH1 3.9Å; D60-R64 PolarHBondContact OD1-NH1 3.26Å; D60-R64 IonicContact OD1-NH2 2.63Å; D60-R64 IonicContact OD2-CZ 3.37Å; D60-R64 IonicContact OD2-NH1 2.92Å; D60-R64 PolarHBondContact OD2-NH1 3.21Å; D60-R64 IonicContact OD2-NH2 3.75Å; D60-R64 PolarHBondContact OD2-NH2 3.18Å; V62-R64 HydrophobicContact CG1-CG 4.31Å; V62-R64 PolarHBondContact O-N 2.93Å; V62-R64 PolarHBondContact O-NH1 3.17Å; R64-P78 CarbonylContact O-C 3.46Å; R64-P78 WeakPolarHBondContact O-CA 3.4Å; R64-T79 PolarHBondContact O-N 2.91Å; R64-T79 PolarHBondContact O-OG1 2.86Å
65	S	96	Very high	94.4	Very high	35 Å²	35	74.8 Å²	74.8	25%	0.245	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.9	176.4	55.3	0	0	0	0	110.5	Q56 V63 R77	Q56-S65 WeakPolarHBondContact CA-O 3.02Å; Q56-S65 WeakPolarHBondContact CB-O 3.37Å; Q56-S65 WeakPolarHBondContact CB-OG 3.43Å; Q56-S65 PolarHBondContact N-O 2.84Å; Q56-S65 PolarHBondContact OE1-OG 3.37Å; V63-S65 WeakPolarHBondContact CG1-O 3.49Å; S65-R77 WeakPolarHBondContact CA-O 3.21Å
66	V	97.3	Very high	94.5	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.8	-173	-178.2	0	0	0	0	108.1	P29 I52 E54 V63 V68 T76 R77 L82	P29-V66 HydrophobicContact CB-CG2 4.15Å; P29-V66 HydrophobicContact CG-CG2 3.74Å; I52-V66 HydrophobicContact CB-CG1 4.02Å; I52-V66 HydrophobicContact CD1-CG1 3.98Å; I52-V66 HydrophobicContact CG1-CG1 3.88Å; I52-V66 HydrophobicContact CG2-CG1 3.18Å; E54-V66 CarbonylContact O-C 3.48Å; E54-V66 WeakPolarHBondContact O-CA 3.38Å; E54-V66 VanDerWaalsContact O-CG1 3.28Å; E54-V66 WeakPolarHBondContact O-CG1 3.33Å; V63-V66 HydrophobicContact CG1-CG2 3.7Å; V66-V68 HydrophobicContact CB-CG2 4.44Å; V66-V68 HydrophobicContact CG1-CG2 4.04Å; V66-T76 WeakPolarHBondContact O-CA 3.49Å; V66-R77 PolarHBondContact N-O 3.31Å; V66-R77 PolarHBondContact O-N 2.89Å; V66-L82 HydrophobicContact CB-CD1 3.85Å; V66-L82 HydrophobicContact CG1-CD1 4.29Å; V66-L82 HydrophobicContact CG2-CD1 3.97Å
67	K	98.3	Very high	94.5	Very high	67 Å²	67	77.2 Å²	77.2	29%	0.291	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.9	166.2	-65	-176.7	-171.3	157	0	109.3	E53 E54 V74	E53-K67 PolarHBondContact N-O 2.87Å; E54-K67 HydrophobicContact CB-CB 4.16Å; E54-K67 HydrophobicContact CB-CD 4.33Å; E54-K67 HydrophobicContact CB-CG 4.49Å; E54-K67 PolarHBondContact N-O 3.44Å; E54-K67 PolarHBondContact O-N 2.88Å; E54-K67 IonicContact OE1-NZ 2.81Å; E54-K67 WeakPolarHBondContact OE2-CD 3.35Å; E54-K67 WeakPolarHBondContact OE2-CE 3.37Å; E54-K67 IonicContact OE2-NZ 2.69Å; E54-K67 PolarHBondContact OE2-NZ 2.85Å; K67-V74 HydrophobicContact CB-CG1 4.12Å
68	V	98	Very high	94.7	Very high	0 Å²	0	77 Å²	77	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.8	-177.6	-174.6	0	0	0	0	108.5	V35 V37 R51 I52 V66 T70 V74 V75 L82	V35-V68 HydrophobicContact CG2-CG1 4.01Å; V35-V68 HydrophobicContact CG2-CG2 4.37Å; V37-V68 HydrophobicContact CG2-CB 4.34Å; V37-V68 HydrophobicContact CG2-CG1 3.82Å; R51-V68 WeakPolarHBondContact O-CA 3.44Å; I52-V68 HydrophobicContact CG1-CG2 4.35Å; V66-V68 HydrophobicContact CB-CG2 4.44Å; V66-V68 HydrophobicContact CG1-CG2 4.04Å; V68-T70 HydrophobicContact CG1-CG2 4.24Å; V68-V74 WeakPolarHBondContact O-CA 3.49Å; V68-V75 HydrophobicContact CB-CG2 4.49Å; V68-V75 PolarHBondContact N-O 3.49Å; V68-V75 PolarHBondContact O-N 2.82Å; V68-L82 HydrophobicContact CG2-CD1 4.05Å; V68-L82 HydrophobicContact CG2-CD2 3.91Å
69	R	98.1	Very high	94.8	Very high	150 Å²	150	77.3 Å²	77.3	57%	0.566	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	117.6	170.4	-172.4	160.2	87.6	-169.4	23	109.9	G50 R51 E53 V74	G50-R69 CarbonylContact C-O 3.6Å; G50-R69 WeakPolarHBondContact CA-O 3.42Å; R51-R69 PolarHBondContact N-O 2.85Å; R51-R69 PolarHBondContact O-N 2.78Å; E53-R69 HydrophobicContact CG-CB 3.91Å; E53-R69 WeakPolarHBondContact OE1-CD 3.48Å; E53-R69 IonicContact OE1-CZ 3.35Å; E53-R69 IonicContact OE1-NE 3.93Å; E53-R69 PolarHBondContact OE1-NE 2.96Å; E53-R69 IonicContact OE1-NH1 3.17Å; E53-R69 PolarHBondContact OE1-NH1 3.33Å; R69-V74 HydrophobicContact CB-CG2 4.27Å; R69-V74 HydrophobicContact CG-CG2 4.19Å
70	T	95.9	Very high	94.8	Very high	15 Å²	15	79.4 Å²	79.4	9%	0.092	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	177.7	174.9	65.3	0	0	0	0	109.9	V37 K48 V68 D72 G73 V75	V37-T70 HydrophobicContact CG2-CG2 4.01Å; K48-T70 HydrophobicContact CB-CG2 4.38Å; V68-T70 HydrophobicContact CG1-CG2 4.24Å; T70-D72 VanDerWaalsContact C-N 3.25Å; T70-D72 PolarHBondContact O-N 3.24Å; T70-G73 PolarHBondContact N-O 3.14Å; T70-G73 PolarHBondContact O-N 3.43Å; T70-G73 PolarHBondContact OG1-O 3Å; T70-V75 HydrophobicContact CG2-CG2 3.94Å
71	I	94.1	Very high	95	Very high	154 Å²	154	77.9 Å²	77.9	79%	0.79	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.9	176.8	-60.8	166.6	0	0	0	111.3	G73	I71-G73 VanDerWaalsContact C-N 3.27Å; I71-G73 PolarHBondContact O-N 3.45Å
72	D	91.1	Very high	95.4	Very high	116 Å²	116	69.9 Å²	69.9	62%	0.62	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.6	-178	-58.4	-22.4	0	0	0	113.3	K48 T70	K48-D72 VanDerWaalsContact CD-OD2 3.27Å; K48-D72 WeakPolarHBondContact CD-OD2 3.41Å; K48-D72 WeakPolarHBondContact CE-OD2 3.31Å; K48-D72 IonicContact NZ-OD2 3.48Å; K48-D72 PolarHBondContact NZ-OD2 3.28Å; T70-D72 VanDerWaalsContact C-N 3.25Å; T70-D72 PolarHBondContact O-N 3.24Å
73	G	95.3	Very high	95.6	Very high	29 Å²	29	69.5 Å²	69.5	30%	0.299	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-166.5	-176.5	0	0	0	0	0	113.4	T70 I71	T70-G73 PolarHBondContact N-O 3.14Å; T70-G73 PolarHBondContact O-N 3.43Å; T70-G73 PolarHBondContact OG1-O 3Å; I71-G73 VanDerWaalsContact C-N 3.27Å; I71-G73 PolarHBondContact O-N 3.45Å
74	V	97.2	Very high	95.7	Very high	79 Å²	79	71.1 Å²	71.1	48%	0.479	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.5	-177	-176	0	0	0	0	109.8	K67 V68 R69	K67-V74 HydrophobicContact CB-CG1 4.12Å; V68-V74 WeakPolarHBondContact O-CA 3.49Å; R69-V74 HydrophobicContact CB-CG2 4.27Å; R69-V74 HydrophobicContact CG-CG2 4.19Å
75	V	95.9	Very high	95.8	Very high	39 Å²	39	69.4 Å²	69.4	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.1	179.6	-64.8	0	0	0	0	110.8	V68 T70 R77	V68-V75 HydrophobicContact CB-CG2 4.49Å; V68-V75 PolarHBondContact N-O 3.49Å; V68-V75 PolarHBondContact O-N 2.82Å; T70-V75 HydrophobicContact CG2-CG2 3.94Å; V75-R77 HydrophobicContact CG2-CG 4.13Å
76	T	97.1	Very high	95.8	Very high	72 Å²	72	71.6 Å²	71.6	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.5	170.1	-53.8	0	0	0	0	109.3	V66	V66-T76 WeakPolarHBondContact O-CA 3.49Å
77	R	96.1	Very high	95.7	Very high	74 Å²	74	75.5 Å²	75.5	28%	0.279	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.7	-178.8	-72.2	-71.9	-178.7	-88.7	3.3	111.4	V37 S65 V66 V75 L82	V37-R77 HydrophobicContact CG1-CG 3.69Å; S65-R77 WeakPolarHBondContact CA-O 3.21Å; V66-R77 PolarHBondContact N-O 3.31Å; V66-R77 PolarHBondContact O-N 2.89Å; V75-R77 HydrophobicContact CG2-CG 4.13Å; R77-L82 HydrophobicContact CB-CD2 3.98Å
78	P	96.4	Very high	95.5	Very high	58 Å²	58	73.9 Å²	73.9	38%	0.377	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	146.5	173.7	29.7	-33.4	0	0	0	110.2	R64 R80 K81	R64-P78 CarbonylContact O-C 3.46Å; R64-P78 WeakPolarHBondContact O-CA 3.4Å; P78-R80 PolarHBondContact O-N 3.39Å; P78-K81 HydrophobicContact CG-CB 4.06Å; P78-K81 HydrophobicContact CG-CD 3.97Å; P78-K81 HydrophobicContact CG-CG 3.91Å; P78-K81 PolarHBondContact O-N 2.96Å
79	T	93.9	Very high	94.9	Very high	40 Å²	40	83.2 Å²	83.2	25%	0.245	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-55.3	-31	-178.9	-55.1	0	0	0	0	113.1	P29 V63 R64 K81 L82	P29-T79 HydrophobicContact CG-CG2 3.7Å; V63-T79 PolarHBondContact O-OG1 3.06Å; R64-T79 PolarHBondContact O-N 2.91Å; R64-T79 PolarHBondContact O-OG1 2.86Å; T79-K81 PolarHBondContact O-N 3.32Å; T79-L82 PolarHBondContact O-N 2.87Å; T79-L82 VanDerWaalsContact O-N 3.14Å
80	R	93.4	Very high	93.8	Very high	228 Å²	228	84.2 Å²	84.2	86%	0.86	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-63.3	-27.4	177.2	-177.6	174.1	174.9	142	-1.9	113.5	P78 L82	P78-R80 PolarHBondContact O-N 3.39Å; R80-L82 VanDerWaalsContact C-N 3.31Å
81	K	95.7	Very high	92.2	Very high	50 Å²	50	88.9 Å²	88.9	22%	0.217	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-92.5	11	178.2	-72.5	-168.6	168.4	-169.2	0	112.6	E38 D40 P78 T79	E38-K81 HydrophobicContact CB-CB 3.97Å; E38-K81 HydrophobicContact CB-CG 4.3Å; E38-K81 WeakPolarHBondContact CB-O 3.45Å; E38-K81 HydrophobicContact CG-CG 4.37Å; E38-K81 PolarHBondContact N-O 2.85Å; D40-K81 WeakPolarHBondContact OD1-CE 3.39Å; D40-K81 IonicContact OD1-NZ 3.79Å; D40-K81 PolarHBondContact OD1-NZ 2.84Å; D40-K81 IonicContact OD2-NZ 2.65Å; D40-K81 PolarHBondContact OD2-NZ 2.92Å; P78-K81 HydrophobicContact CG-CB 4.06Å; P78-K81 HydrophobicContact CG-CD 3.97Å; P78-K81 HydrophobicContact CG-CG 3.91Å; P78-K81 PolarHBondContact O-N 2.96Å; T79-K81 PolarHBondContact O-N 3.32Å
82	L	95.6	Very high	90.4	Very high	19 Å²	19	88.9 Å²	88.9	10%	0.099	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.7	178.6	-59.1	-177.9	0	0	0	110	V35 V37 I52 V66 V68 R77 T79 R80	V35-L82 HydrophobicContact CB-CB 4.46Å; V35-L82 HydrophobicContact CG2-CB 4.49Å; V35-L82 HydrophobicContact CG2-CD2 4.01Å; V37-L82 HydrophobicContact CG2-CD2 4Å; I52-L82 HydrophobicContact CD1-CD1 4.41Å; V66-L82 HydrophobicContact CB-CD1 3.85Å; V66-L82 HydrophobicContact CG1-CD1 4.29Å; V66-L82 HydrophobicContact CG2-CD1 3.97Å; V68-L82 HydrophobicContact CG2-CD1 4.05Å; V68-L82 HydrophobicContact CG2-CD2 3.91Å; R77-L82 HydrophobicContact CB-CD2 3.98Å; T79-L82 PolarHBondContact O-N 2.87Å; T79-L82 VanDerWaalsContact O-N 3.14Å; R80-L82 VanDerWaalsContact C-N 3.31Å
83	H	95.8	Very high	88.9	Confident	63 Å²	63	90.1 Å²	90.1	29%	0.292	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.8	177.5	-59.7	-83.1	0	0	0	109.5	V35 L36 E38 W47 I85	V35-H83 CarbonylContact C-O 3.49Å; V35-H83 WeakPolarHBondContact CA-O 3.41Å; V35-H83 WeakPolarHBondContact CB-O 3.45Å; L36-H83 HydrophobicContact CB-CB 4.27Å; L36-H83 PolarHBondContact N-O 2.86Å; L36-H83 PolarHBondContact O-N 3.44Å; E38-H83 IonicContact OE2-NE2 2.81Å; W47-H83 AromaticContact CE3-CD2 3.98Å; W47-H83 AromaticContact CH2-NE2 3.66Å; W47-H83 AromaticContact CZ3-CD2 3.31Å; W47-H83 WeakPolarHBondContact CZ3-CD2 3.38Å; W47-H83 AromaticContact CZ3-NE2 3.31Å; W47-H83 VanDerWaalsContact CZ3-NE2 3.31Å; W47-H83 WeakPolarHBondContact CZ3-NE2 2.84Å; H83-I85 PolarHBondContact O-N 3.48Å
84	L	95.6	Very high	86.7	Confident	69 Å²	69	95.6 Å²	95.6	36%	0.361	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.5	-179.7	-177.1	66.1	0	0	0	111.2	D33 V35 E86	D33-L84 HydrophobicContact CB-CD1 3.75Å; V35-L84 HydrophobicContact CG1-CD1 4.3Å; L84-E86 WeakPolarHBondContact CD1-O 3.27Å
85	I	96.1	Very high	84.5	Confident	101 Å²	101	98.3 Å²	98.3	52%	0.518	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-53.8	175	-58.4	-57.3	0	0	0	110.5	I34 L36 L49 H83	I34-I85 PolarHBondContact O-N 2.93Å; L36-I85 HydrophobicContact CD1-CD1 3.77Å; L36-I85 HydrophobicContact CD1-CG1 4.33Å; L36-I85 HydrophobicContact CG-CD1 3.85Å; L36-I85 HydrophobicContact CG-CG1 3.83Å; L49-I85 HydrophobicContact CD1-CG1 4.12Å; H83-I85 PolarHBondContact O-N 3.48Å
86	E	95.5	Very high	82.5	Confident	80 Å²	80	104.9 Å²	104.9	37%	0.374	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.4	176.8	-167.8	-176.8	173.7	0	0	108.8	I34 L84 R89	I34-E86 HydrophobicContact CB-CB 4.01Å; I34-E86 HydrophobicContact CG1-CB 4.22Å; I34-E86 PolarHBondContact N-O 2.9Å; I34-E86 PolarHBondContact O-N 2.85Å; I34-E86 VanDerWaalsContact O-N 3.16Å; L84-E86 WeakPolarHBondContact CD1-O 3.27Å; E86-R89 IonicContact OE1-CZ 3.65Å; E86-R89 IonicContact OE1-NE 3.37Å; E86-R89 PolarHBondContact OE1-NE 3.23Å; E86-R89 IonicContact OE1-NH2 2.99Å; E86-R89 PolarHBondContact OE1-NH2 2.81Å
87	P	95	Very high	80.2	Confident	83 Å²	83	113 Å²	113	54%	0.539	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-67.7	151.1	173.2	29.6	-33.8	0	0	0	111	R89	P87-R89 PolarHBondContact O-N 2.75Å
88	A	92.8	Very high	77.7	Confident	32 Å²	32	113.7 Å²	113.7	26%	0.264	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-55.9	129.5	171.6	0	0	0	0	0	109.6	V31 D33 E90	V31-A88 WeakPolarHBondContact O-CB 3.27Å; D33-A88 WeakPolarHBondContact OD1-CB 3.25Å; D33-A88 PolarHBondContact OD1-N 2.9Å; A88-E90 PolarHBondContact O-N 3.05Å
89	R	87.1	Confident	75.2	Confident	197 Å²	197	114.4 Å²	114.4	74%	0.743	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-66.8	124.1	170.6	-60.8	-180	-170.6	-178.4	2.4	107.2	E86 P87 V91	E86-R89 IonicContact OE1-CZ 3.65Å; E86-R89 IonicContact OE1-NE 3.37Å; E86-R89 PolarHBondContact OE1-NE 3.23Å; E86-R89 IonicContact OE1-NH2 2.99Å; E86-R89 PolarHBondContact OE1-NH2 2.81Å; P87-R89 PolarHBondContact O-N 2.75Å; R89-V91 VanDerWaalsContact C-N 3.28Å; R89-V91 PolarHBondContact O-N 3.14Å
90	E	74.5	Confident	72.8	Confident	170 Å²	170	117.4 Å²	117.4	79%	0.794	61%	0.61	S	S	*	*			trans	-61.5	100.5	165	-63	-177.7	-180	0	0	105.7	A88 M92	A88-E90 PolarHBondContact O-N 3.05Å; E90-M92 VanDerWaalsContact C-N 3.28Å; E90-M92 PolarHBondContact O-N 3.02Å
91	V	62.6	Low	70.5	Confident	113 Å²	113	112.8 Å²	112.8	69%	0.685	61%	0.606	S	S	*	*			trans	-60.3	110.1	157.9	-176.1	0	0	0	0	102.4	R89 D93	R89-V91 VanDerWaalsContact C-N 3.28Å; R89-V91 PolarHBondContact O-N 3.14Å; V91-D93 PolarHBondContact O-N 3.43Å
92	M	56.4	Low	68	Low	155 Å²	155	116.7 Å²	116.7	76%	0.764	63%	0.634	S	S	*	*			trans	-57.1	94.8	164.3	-69.3	168.4	85.7	0	0	103.5	E90 D94	E90-M92 VanDerWaalsContact C-N 3.28Å; E90-M92 PolarHBondContact O-N 3.02Å; M92-D94 VanDerWaalsContact C-N 3.35Å; M92-D94 PolarHBondContact O-N 3.23Å
93	D	58.3	Low	65.5	Low	142 Å²	142	121.2 Å²	121.2	76%	0.759	67%	0.668	S	S	*	*			trans	-52.2	112.3	170	-78.7	-35.8	0	0	0	104.1	V91 V95	V91-D93 PolarHBondContact O-N 3.43Å; D93-V95 PolarHBondContact O-N 3.21Å
94	D	49.2	Very low	63.1	Low	144 Å²	144	127.4 Å²	127.4	77%	0.77	69%	0.694	S	S	*	*			trans	-44.8	122.3	-168.1	-65.1	-63.3	0	0	0	108.6	M92 H96	M92-D94 VanDerWaalsContact C-N 3.35Å; M92-D94 PolarHBondContact O-N 3.23Å; D94-H96 HydrophobicContact CB-CB 4.43Å; D94-H96 PolarHBondContact O-N 2.69Å
95	V	51.9	Low	61	Low	135 Å²	135	128.3 Å²	128.3	82%	0.818	71%	0.712	S	S	*	*	S	Bend	trans	-58.1	13	177.5	171.7	0	0	0	0	112.1	D93	D93-V95 PolarHBondContact O-N 3.21Å
96	H	54.1	Low	58.6	Low	177 Å²	177	126 Å²	126	82%	0.819	71%	0.713	S	S	*	*			trans	-100.3	21	-166.2	-146	73.5	0	0	0	116	D94	D94-H96 HydrophobicContact CB-CB 4.43Å; D94-H96 PolarHBondContact O-N 2.69Å
97	R	48.1	Very low	56.4	Low	244 Å²	244	131.1 Å²	131.1	92%	0.921	74%	0.739	S	S	*	*	S	Bend	trans	-125.2	-7.5	167.8	-155.3	170	-72.6	147.7	-1.2	116.8
98	A	44.8	Very low	54.5	Low	87 Å²	87	133.7 Å²	133.7	72%	0.719	75%	0.753	S	S	*	*			trans	-105.9	66.6	169.6	0	0	0	0	0	110.3	S100	A98-S100 PolarHBondContact O-N 2.81Å
99	G	42.5	Very low	52.9	Low	74 Å²	74	137.2 Å²	137.2	76%	0.763	78%	0.776	S	S	*	*			trans	-65.2	64.3	152.9	0	0	0	0	0	109.4	V101	G99-V101 VanDerWaalsContact C-N 3.32Å; G99-V101 PolarHBondContact O-N 3.48Å; G99-V101 VanDerWaalsContact O-N 3.14Å
100	S	42.9	Very low	51.6	Low	103 Å²	103	135.1 Å²	135.1	72%	0.72	78%	0.779	S	S	*	*			trans	-77.7	93.9	166.2	-173.5	0	0	0	0	105.5	A98 T102	A98-S100 PolarHBondContact O-N 2.81Å; S100-T102 PolarHBondContact O-N 2.85Å
101	V	45.7	Very low	51.2	Low	131 Å²	131	132.9 Å²	132.9	79%	0.794	78%	0.777	S	S	*	*			trans	-50.7	114.9	172.7	179.2	0	0	0	0	107	G99 S103	G99-V101 VanDerWaalsContact C-N 3.32Å; G99-V101 PolarHBondContact O-N 3.48Å; G99-V101 VanDerWaalsContact O-N 3.14Å; V101-S103 VanDerWaalsContact C-N 3.33Å; V101-S103 PolarHBondContact O-N 2.78Å
102	T	44.6	Very low	51	Low	131 Å²	131	132.6 Å²	132.6	80%	0.804	78%	0.777	S	S	*	*			trans	-58.8	95.5	174.2	33.7	0	0	0	0	108.6	S100 F104	S100-T102 PolarHBondContact O-N 2.85Å; T102-F104 PolarHBondContact O-N 3.21Å
103	S	42.7	Very low	51	Low	114 Å²	114	130 Å²	130	80%	0.797	78%	0.78	S	S	*	*			trans	-66.3	101.7	164.5	179	0	0	0	0	107.3	V101 A105	V101-S103 VanDerWaalsContact C-N 3.33Å; V101-S103 PolarHBondContact O-N 2.78Å; S103-A105 PolarHBondContact O-N 3.39Å
104	F	44.8	Very low	51.3	Low	193 Å²	193	128.7 Å²	128.7	85%	0.846	78%	0.783	S	S	*	*			trans	-60.7	94.2	177.2	-178.6	-97.2	0	0	0	109.4	T102 G106	T102-F104 PolarHBondContact O-N 3.21Å; F104-G106 PolarHBondContact O-N 2.83Å
105	A	51.6	Low	51.4	Low	89 Å²	89	130.6 Å²	130.6	74%	0.736	79%	0.787	S	S	*	*			trans	-71.7	96.8	170.2	0	0	0	0	0	108.6	S103 M107	S103-A105 PolarHBondContact O-N 3.39Å; A105-M107 PolarHBondContact O-N 2.88Å; A105-M107 VanDerWaalsContact O-N 3.12Å
106	G	45.3	Very low	51.4	Low	52 Å²	52	134.4 Å²	134.4	54%	0.536	81%	0.81	S	S	.	*			trans	-57.1	111.7	172.9	0	0	0	0	0	111	F104 T108	F104-G106 PolarHBondContact O-N 2.83Å; G106-T108 PolarHBondContact O-N 2.72Å
107	M	48.7	Very low	51.3	Low	188 Å²	188	132.3 Å²	132.3	93%	0.926	81%	0.81	S	S	*	*			trans	-75.6	98	170.4	-69.6	166.7	154.3	0	0	109	A105	A105-M107 PolarHBondContact O-N 2.88Å; A105-M107 VanDerWaalsContact O-N 3.12Å
108	T	55.9	Low	51.4	Low	136 Å²	136	126.4 Å²	126.4	83%	0.834	80%	0.804	S	S	*	*			trans	-92	90.5	166.8	59.2	0	0	0	0	108.7	G106 N110	G106-T108 PolarHBondContact O-N 2.72Å; T108-N110 PolarHBondContact O-N 3.37Å
109	S	59.5	Low	51.8	Low	106 Å²	106	128.6 Å²	128.6	74%	0.741	81%	0.808	S	S	*	*			trans	-84.7	97.2	165.9	59.9	0	0	0	0	108.6	V111	S109-V111 PolarHBondContact O-N 2.63Å
110	N	58.7	Low	52.3	Low	153 Å²	153	131.8 Å²	131.8	82%	0.818	81%	0.811	S	S	*	*			trans	-70.3	100.8	172.8	-170.2	21.3	0	0	0	108.7	T108 P112	T108-N110 PolarHBondContact O-N 3.37Å; N110-P112 WeakPolarHBondContact O-CD 3.42Å
111	V	67.3	Low	52.9	Low	124 Å²	124	133.6 Å²	133.6	75%	0.752	82%	0.817	S	S	*	*			trans	-87.6	113.5	174.9	-179.8	0	0	0	0	108	S109	S109-V111 PolarHBondContact O-N 2.63Å
112	P	58.8	Low	53.4	Low	106 Å²	106	133.7 Å²	133.7	69%	0.688	82%	0.818	S	S	*	*			trans	-74.9	132.2	-178.2	28.5	-31.4	0	0	0	111	N110 S114	N110-P112 WeakPolarHBondContact O-CD 3.42Å; P112-S114 PolarHBondContact O-N 3.42Å
113	A	56.2	Low	54.1	Low	100 Å²	100	133.9 Å²	133.9	83%	0.826	82%	0.819	S	S	*	*			trans	-69	93.6	170.5	0	0	0	0	0	109.7	Q115	A113-Q115 PolarHBondContact O-N 2.92Å
114	S	63.3	Low	54.9	Low	116 Å²	116	135.5 Å²	135.5	81%	0.811	82%	0.821	S	S	*	*			trans	-79.1	102.9	166.1	57.8	0	0	0	0	108.8	P112	P112-S114 PolarHBondContact O-N 3.42Å
115	Q	53.1	Low	55.8	Low	184 Å²	184	130.7 Å²	130.7	86%	0.86	82%	0.819	S	S	*	*			trans	-51.9	134.1	159.8	-63.8	-179.6	-38.2	0	0	110.7	A113	A113-Q115 PolarHBondContact O-N 2.92Å
116	V	51	Low	56.2	Low	214 Å²	214	134.5 Å²	134.5	100%	1.297	83%	0.826	S	S	*	*				171.2	0	126.5	161.6	0	0	0	0	107.6

Retrieved 116 of 116 residues in 71.3 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).