A0A077ZE04_TRITR Loading...

Thioredoxin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 77 aa.

						>A0A077ZE04_TRITR|A0A077ZE04
MKFALLALVCVLPALSLAADVTEEDNVLVLNTKNFDSAIEDNKFILVEFYAPWCGHCKALAPEYTKAAKMLKDENSD
					

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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59	Low	60.6	Low	216 Å²	216	124 Å²	124	100%	1.064	68%	0.679	S	S	*	*				0	-39.1	0	-58.2	179.3	82.8	0	113.6
2	K	62.2	Low	60.3	Low	179 Å²	179	124.2 Å²	124.2	78%	0.778	68%	0.677	S	S	*	*	H	α-helix	trans	-67.5	-33.9	179.4	-64.1	179.6	176.2	-178.3	114.8	A4 L5 L6	K2-A4 PolarHBondContact O-N 3.34Å; K2-L5 PolarHBondContact O-N 3.36Å; K2-L6 PolarHBondContact O-N 3.36Å
3	F	62	Low	59.9	Low	188 Å²	188	122.1 Å²	122.1	83%	0.825	67%	0.673	S	S	*	*	H	α-helix	trans	-69.1	-30.7	-179.4	-65.8	-74.3	0	0	114.1	L5 A7	F3-L5 VanDerWaalsContact C-N 3.35Å; F3-A7 PolarHBondContact O-N 3.49Å
4	A	61.7	Low	59.7	Low	74 Å²	74	119.3 Å²	119.3	61%	0.612	67%	0.674	S	S	*	*	H	α-helix	trans	-70.9	-32.2	176.2	0	0	0	0	112.3	K2 L8	K2-A4 PolarHBondContact O-N 3.34Å; A4-L8 PolarHBondContact O-N 3.49Å
5	L	60.7	Low	59.4	Low	123 Å²	123	121.8 Å²	121.8	64%	0.644	68%	0.684	S	S	*	*	H	α-helix	trans	-71.4	-37.4	178.2	-149.7	82.7	0	0	111.8	K2 F3 L8 V9	K2-L5 PolarHBondContact O-N 3.36Å; F3-L5 VanDerWaalsContact C-N 3.35Å; L5-L8 PolarHBondContact O-N 3.33Å; L5-V9 WeakPolarHBondContact O-CG2 3.28Å; L5-V9 PolarHBondContact O-N 3.25Å
6	L	60.1	Low	59.4	Low	120 Å²	120	120.3 Å²	120.3	63%	0.628	68%	0.684	S	S	*	*	H	α-helix	trans	-67.4	-37.6	176	-99.8	99.1	0	0	112.7	K2 L8 V9 C10	K2-L6 PolarHBondContact O-N 3.36Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-V9 PolarHBondContact O-N 3.47Å; L6-C10 PolarHBondContact O-N 3.45Å; L6-C10 PolarHBondContact O-SG 3.28Å
7	A	61.1	Low	59.2	Low	60 Å²	60	123.1 Å²	123.1	50%	0.496	70%	0.696	S	S	.	*	H	α-helix	trans	-65.9	-38.1	177.6	0	0	0	0	111.9	F3 C10 V11	F3-A7 PolarHBondContact O-N 3.49Å; A7-C10 PolarHBondContact O-N 3.44Å; A7-V11 VanDerWaalsContact O-CG2 3.28Å; A7-V11 WeakPolarHBondContact O-CG2 3.36Å; A7-V11 PolarHBondContact O-N 3.46Å
8	L	59.6	Low	59.3	Low	118 Å²	118	121.2 Å²	121.2	62%	0.618	70%	0.697	S	S	*	*	H	α-helix	trans	-67.8	-36.4	178.6	-162.9	73.9	0	0	112.5	A4 L5 L6 V11	A4-L8 PolarHBondContact O-N 3.49Å; L5-L8 PolarHBondContact O-N 3.33Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L8-V11 PolarHBondContact O-N 3.42Å
9	V	61.2	Low	59.6	Low	94 Å²	94	116.5 Å²	116.5	57%	0.57	68%	0.675	S	S	*	*	H	α-helix	trans	-70.6	-30.9	178.4	172.7	0	0	0	112.2	L5 L6 P13	L5-V9 WeakPolarHBondContact O-CG2 3.28Å; L5-V9 PolarHBondContact O-N 3.25Å; L6-V9 PolarHBondContact O-N 3.47Å; V9-P13 WeakPolarHBondContact O-CD 3.47Å
10	C	59.9	Low	60.8	Low	96 Å²	96	117.4 Å²	117.4	65%	0.649	68%	0.677	S	S	*	*	H	α-helix	trans	-78.3	-15.9	177.5	-70.1	0	0	0	114.3	L6 A7 P13	L6-C10 PolarHBondContact O-N 3.45Å; L6-C10 PolarHBondContact O-SG 3.28Å; A7-C10 PolarHBondContact O-N 3.44Å; C10-P13 WeakPolarHBondContact O-CD 3.43Å
11	V	59.6	Low	62.2	Low	96 Å²	96	114 Å²	114	58%	0.582	66%	0.658	S	S	*	*	H	α-helix	trans	-92.8	-23.6	-178.4	178.9	0	0	0	112.3	A7 L8 P13 A14	A7-V11 VanDerWaalsContact O-CG2 3.28Å; A7-V11 WeakPolarHBondContact O-CG2 3.36Å; A7-V11 PolarHBondContact O-N 3.46Å; L8-V11 PolarHBondContact O-N 3.42Å; V11-P13 VanDerWaalsContact C-CD 3.45Å; V11-A14 PolarHBondContact O-N 3.44Å
12	L	56.4	Low	63.9	Low	126 Å²	126	106.7 Å²	106.7	66%	0.66	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-60.9	-36	178.1	-85.9	151.1	0	0	115.9	A14	L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.35Å
13	P	55.7	Low	65.5	Low	97 Å²	97	102.9 Å²	102.9	63%	0.63	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-80.6	-8.4	-179.5	-1.9	18.7	0	0	113.7	V9 C10 V11	V9-P13 WeakPolarHBondContact O-CD 3.47Å; C10-P13 WeakPolarHBondContact O-CD 3.43Å; V11-P13 VanDerWaalsContact C-CD 3.45Å
14	A	57.2	Low	67.1	Low	83 Å²	83	99.6 Å²	99.6	69%	0.686	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-87.3	-9.7	-176.5	0	0	0	0	113.5	V11 L12	V11-A14 PolarHBondContact O-N 3.44Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.35Å
15	L	55.6	Low	68.7	Low	157 Å²	157	102 Å²	102	82%	0.822	60%	0.6	S	S	*	*	S	Bend	trans	-92.4	2	-169	-149.2	74.3	0	0	114.7
16	S	58.1	Low	70.3	Confident	97 Å²	97	98.9 Å²	98.9	68%	0.678	58%	0.584	S	S	*	*	S	Bend	trans	-128.6	25.8	-166.8	65.8	0	0	0	115.4
17	L	56.4	Low	72.1	Confident	169 Å²	169	94.7 Å²	94.7	89%	0.885	56%	0.563	S	S	*	*			trans	-116.7	25.3	170.8	-141.8	84	0	0	113.1	A19	L17-A19 PolarHBondContact O-N 3.21Å
18	A	60.5	Low	73.8	Confident	88 Å²	88	95 Å²	95	73%	0.727	56%	0.557	S	S	*	*			trans	-69.4	108.3	160.7	0	0	0	0	106.8	D20	A18-D20 PolarHBondContact O-N 3.18Å
19	A	66	Low	75.6	Confident	32 Å²	32	91.3 Å²	91.3	26%	0.264	54%	0.539	S	S	.	.			trans	-66.2	117.1	176.3	0	0	0	0	108.5	L17 V21 K33 N34	L17-A19 PolarHBondContact O-N 3.21Å; A19-V21 PolarHBondContact O-N 3.02Å; A19-K33 HydrophobicContact CB-CB 3.77Å; A19-K33 WeakPolarHBondContact CB-O 3.31Å; A19-N34 HydrophobicContact CB-CB 3.66Å; A19-N34 WeakPolarHBondContact O-CB 3.2Å
20	D	82.8	Confident	77.3	Confident	134 Å²	134	88.9 Å²	88.9	72%	0.717	52%	0.523	S	S	*	.			trans	-55.9	124.1	-177.9	-163.2	54.4	0	0	110.4	A18 N34	A18-D20 PolarHBondContact O-N 3.18Å; D20-N34 PolarHBondContact O-ND2 3.28Å
21	V	90.8	Very high	79.1	Confident	46 Å²	46	87.9 Å²	87.9	28%	0.279	51%	0.511	S	S	.	.			trans	-87.8	111.6	172.2	178.4	0	0	0	106.9	A19 L28 L30 N34 A38	A19-V21 PolarHBondContact O-N 3.02Å; V21-L28 HydrophobicContact CG1-CB 3.88Å; V21-L28 HydrophobicContact CG1-CD1 4.29Å; V21-L28 HydrophobicContact CG1-CD2 4Å; V21-L28 HydrophobicContact CG1-CG 4.27Å; V21-L30 HydrophobicContact CG1-CD2 4.01Å; V21-N34 HydrophobicContact CG2-CB 3.91Å; V21-A38 HydrophobicContact CG2-CB 4.39Å
22	T	94.4	Very high	80.8	Confident	63 Å²	63	90 Å²	90	39%	0.387	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	154.3	178.7	57.6	0	0	0	111.1	V29	T22-V29 PolarHBondContact O-N 2.85Å
23	E	95	Very high	82.7	Confident	99 Å²	99	92.3 Å²	92.3	46%	0.463	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.3	175.7	-170.2	-174.7	120.9	0	110.4	N26 V27 K72	E23-N26 WeakPolarHBondContact OE1-CA 3.31Å; E23-V27 CarbonylContact C-O 3.55Å; E23-V27 WeakPolarHBondContact CA-O 3.44Å; E23-K72 IonicContact OE1-NZ 2.75Å; E23-K72 PolarHBondContact OE1-NZ 3.38Å; E23-K72 IonicContact OE2-NZ 2.78Å; E23-K72 PolarHBondContact OE2-NZ 3.2Å
24	E	95.8	Very high	84.6	Confident	120 Å²	120	87.8 Å²	87.8	56%	0.561	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.8	172.1	-71.6	-179.5	-166.3	0	108.8	N26 V27 V29	E24-N26 VanDerWaalsContact C-N 3.28Å; E24-N26 PolarHBondContact O-N 3.46Å; E24-V27 PolarHBondContact N-O 3.12Å; E24-V27 WeakPolarHBondContact O-CA 3.37Å; E24-V27 VanDerWaalsContact O-CB 3.3Å; E24-V27 WeakPolarHBondContact O-CB 3.3Å; E24-V27 PolarHBondContact O-N 2.99Å; E24-V29 HydrophobicContact CB-CG2 3.89Å; E24-V29 HydrophobicContact CG-CG2 3.61Å
25	D	95.6	Very high	86.5	Confident	124 Å²	124	86.7 Å²	86.7	66%	0.663	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	43.7	178.4	-64.6	-36.4	0	0	114.7	V27 T65	D25-V27 VanDerWaalsContact C-N 3.28Å; D25-V27 PolarHBondContact O-N 3.33Å; D25-T65 HydrophobicContact CB-CG2 3.53Å
26	N	95.7	Very high	88.4	Confident	58 Å²	58	84.9 Å²	84.9	31%	0.31	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	6.4	-175.8	-41	-85.6	0	0	115.3	E23 E24 A68 K69	E23-N26 WeakPolarHBondContact OE1-CA 3.31Å; E24-N26 VanDerWaalsContact C-N 3.28Å; E24-N26 PolarHBondContact O-N 3.46Å; N26-A68 HydrophobicContact CB-CB 4.06Å; N26-A68 WeakPolarHBondContact O-CB 3.49Å; N26-K69 HydrophobicContact CB-CB 4.41Å
27	V	97.5	Very high	90.1	Very high	31 Å²	31	82.3 Å²	82.3	19%	0.188	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.6	-177.4	179.8	0	0	0	110.6	E23 E24 D25 Y64 T65 A68	E23-V27 CarbonylContact C-O 3.55Å; E23-V27 WeakPolarHBondContact CA-O 3.44Å; E24-V27 PolarHBondContact N-O 3.12Å; E24-V27 WeakPolarHBondContact O-CA 3.37Å; E24-V27 VanDerWaalsContact O-CB 3.3Å; E24-V27 WeakPolarHBondContact O-CB 3.3Å; E24-V27 PolarHBondContact O-N 2.99Å; D25-V27 VanDerWaalsContact C-N 3.28Å; D25-V27 PolarHBondContact O-N 3.33Å; V27-Y64 HydrophobicContact CB-CE1 4.5Å; V27-Y64 HydrophobicContact CG1-CD1 4.17Å; V27-Y64 HydrophobicContact CG1-CE1 3.67Å; V27-Y64 HydrophobicContact CG2-CD1 3.75Å; V27-Y64 HydrophobicContact CG2-CE1 3.96Å; V27-T65 HydrophobicContact CG2-CG2 4.07Å; V27-A68 HydrophobicContact CG2-CB 3.75Å
28	L	96.7	Very high	91.9	Very high	67 Å²	67	74.3 Å²	74.3	35%	0.351	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.3	173.7	-55.8	-179.6	0	0	110.9	V21 L30	V21-L28 HydrophobicContact CG1-CB 3.88Å; V21-L28 HydrophobicContact CG1-CD1 4.29Å; V21-L28 HydrophobicContact CG1-CD2 4Å; V21-L28 HydrophobicContact CG1-CG 4.27Å; L28-L30 HydrophobicContact CB-CD2 4.27Å
29	V	97.4	Very high	93.6	Very high	41 Å²	41	73.5 Å²	73.5	25%	0.248	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.5	179.3	-177	0	0	0	109.9	T22 E24 N34	T22-V29 PolarHBondContact O-N 2.85Å; E24-V29 HydrophobicContact CB-CG2 3.89Å; E24-V29 HydrophobicContact CG-CG2 3.61Å; V29-N34 PolarHBondContact O-ND2 3.26Å; V29-N34 VanDerWaalsContact O-ND2 3.14Å
30	L	97.2	Very high	95	Very high	43 Å²	43	79.7 Å²	79.7	23%	0.225	42%	0.417	C	S	.	.			trans	-99.5	143	-178.8	-52.2	-172.2	0	0	111.9	V21 L28 N34 F35 A38 I45 V47	V21-L30 HydrophobicContact CG1-CD2 4.01Å; L28-L30 HydrophobicContact CB-CD2 4.27Å; L30-N34 VanDerWaalsContact CA-OD1 3.31Å; L30-N34 WeakPolarHBondContact CA-OD1 3.47Å; L30-F35 HydrophobicContact CB-CD2 4.18Å; L30-F35 HydrophobicContact CD1-CD2 4.01Å; L30-F35 HydrophobicContact CD1-CE2 4.26Å; L30-A38 HydrophobicContact CD1-CB 3.93Å; L30-A38 HydrophobicContact CD2-CB 3.36Å; L30-A38 HydrophobicContact CG-CB 4.3Å; L30-I45 HydrophobicContact CD1-CD1 4.2Å; L30-V47 HydrophobicContact CD1-CG2 4.29Å
31	N	96.4	Very high	95.5	Very high	75 Å²	75	78.9 Å²	78.9	40%	0.401	41%	0.412	S	S	.	.			trans	-145.1	177.3	172.9	64.3	70.3	0	0	109.6	K33 N34 F35	N31-K33 PolarHBondContact O-N 3.44Å; N31-K33 VanDerWaalsContact OD1-CB 3.3Å; N31-K33 WeakPolarHBondContact OD1-CB 3.38Å; N31-K33 PolarHBondContact OD1-N 3.15Å; N31-N34 PolarHBondContact N-OD1 2.79Å; N31-N34 PolarHBondContact O-N 2.97Å; N31-N34 VanDerWaalsContact O-N 3.15Å; N31-N34 PolarHBondContact O-OD1 2.93Å; N31-N34 VanDerWaalsContact O-OD1 3.07Å; N31-F35 WeakPolarHBondContact O-CB 3.33Å; N31-F35 PolarHBondContact O-N 2.78Å
32	T	96	Very high	95.6	Very high	139 Å²	139	79.3 Å²	79.3	85%	0.853	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.4	-175	54.3	0	0	0	115
33	K	95.4	Very high	95.6	Very high	176 Å²	176	84.3 Å²	84.3	77%	0.765	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-26.5	-179.9	-56.9	177.7	180	175.8	113.7	A19 N31	A19-K33 HydrophobicContact CB-CB 3.77Å; A19-K33 WeakPolarHBondContact CB-O 3.31Å; N31-K33 PolarHBondContact O-N 3.44Å; N31-K33 VanDerWaalsContact OD1-CB 3.3Å; N31-K33 WeakPolarHBondContact OD1-CB 3.38Å; N31-K33 PolarHBondContact OD1-N 3.15Å
34	N	95.6	Very high	95.7	Very high	1 Å²	1	86.8 Å²	86.8	1%	0.005	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-4	-173.7	67.7	6.9	0	0	113.7	A19 D20 V21 V29 L30 N31 D36 S37 A38	A19-N34 HydrophobicContact CB-CB 3.66Å; A19-N34 WeakPolarHBondContact O-CB 3.2Å; D20-N34 PolarHBondContact O-ND2 3.28Å; V21-N34 HydrophobicContact CG2-CB 3.91Å; V29-N34 PolarHBondContact O-ND2 3.26Å; V29-N34 VanDerWaalsContact O-ND2 3.14Å; L30-N34 VanDerWaalsContact CA-OD1 3.31Å; L30-N34 WeakPolarHBondContact CA-OD1 3.47Å; N31-N34 PolarHBondContact N-OD1 2.79Å; N31-N34 PolarHBondContact O-N 2.97Å; N31-N34 VanDerWaalsContact O-N 3.15Å; N31-N34 PolarHBondContact O-OD1 2.93Å; N31-N34 VanDerWaalsContact O-OD1 3.07Å; N34-D36 PolarHBondContact O-N 3.37Å; N34-S37 PolarHBondContact O-N 2.96Å; N34-A38 WeakPolarHBondContact O-CB 3.37Å; N34-A38 PolarHBondContact O-N 3.15Å
35	F	96.8	Very high	95.7	Very high	61 Å²	61	84 Å²	84	27%	0.268	43%	0.427	S	S	.	.	H	α-helix	trans	-56.8	-52.8	-177.5	-171.3	-92.9	0	0	112.2	L30 N31 S37 A38 I39 V47 F49	L30-F35 HydrophobicContact CB-CD2 4.18Å; L30-F35 HydrophobicContact CD1-CD2 4.01Å; L30-F35 HydrophobicContact CD1-CE2 4.26Å; N31-F35 WeakPolarHBondContact O-CB 3.33Å; N31-F35 PolarHBondContact O-N 2.78Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 3.07Å; F35-A38 PolarHBondContact O-N 2.98Å; F35-A38 VanDerWaalsContact O-N 3.12Å; F35-I39 HydrophobicContact CD1-CG1 3.92Å; F35-I39 HydrophobicContact CE1-CD1 4.05Å; F35-I39 HydrophobicContact CE1-CG1 3.57Å; F35-I39 HydrophobicContact CE2-CD1 4.35Å; F35-I39 HydrophobicContact CZ-CD1 3.87Å; F35-I39 HydrophobicContact CZ-CG1 3.94Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.38Å; F35-V47 HydrophobicContact CE2-CG1 4.14Å; F35-V47 HydrophobicContact CE2-CG2 4.48Å; F35-F49 HydrophobicContact CE2-CE1 4.16Å; F35-F49 AromaticContact CE2-CZ 3.8Å; F35-F49 HydrophobicContact CE2-CZ 3.8Å; F35-F49 AromaticContact CZ-CZ 3.93Å; F35-F49 HydrophobicContact CZ-CZ 3.93Å
36	D	95.8	Very high	95.8	Very high	118 Å²	118	84.7 Å²	84.7	63%	0.631	43%	0.43	S	S	*	.	H	α-helix	trans	-60.6	-43.4	-176.7	-63.2	-26.6	0	0	111.8	N34 A38 I39 E40	N34-D36 PolarHBondContact O-N 3.37Å; D36-A38 PolarHBondContact O-N 3.27Å; D36-I39 PolarHBondContact O-N 2.94Å; D36-E40 WeakPolarHBondContact O-CG 3.4Å; D36-E40 PolarHBondContact O-N 2.99Å
37	S	94.4	Very high	95.9	Very high	44 Å²	44	84 Å²	84	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-46.8	174.4	-165.5	0	0	0	111.4	N34 F35 I39 E40 D41	N34-S37 PolarHBondContact O-N 2.96Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 3.07Å; S37-I39 VanDerWaalsContact C-N 3.29Å; S37-I39 PolarHBondContact O-N 3.14Å; S37-E40 PolarHBondContact O-N 3.41Å; S37-E40 VanDerWaalsContact O-N 3.15Å; S37-D41 VanDerWaalsContact O-CB 3.31Å; S37-D41 WeakPolarHBondContact O-CB 3.41Å; S37-D41 PolarHBondContact O-N 3.48Å; S37-D41 VanDerWaalsContact O-OD2 3.07Å; S37-D41 PolarHBondContact OG-OD2 2.78Å
38	A	94.7	Very high	95.9	Very high	1 Å²	1	85 Å²	85	1%	0.008	43%	0.43	C	S	.	.	H	α-helix	trans	-63.5	-34.8	-179.9	0	0	0	0	112.7	V21 L30 N34 F35 D36 N42	V21-A38 HydrophobicContact CG2-CB 4.39Å; L30-A38 HydrophobicContact CD1-CB 3.93Å; L30-A38 HydrophobicContact CD2-CB 3.36Å; L30-A38 HydrophobicContact CG-CB 4.3Å; N34-A38 WeakPolarHBondContact O-CB 3.37Å; N34-A38 PolarHBondContact O-N 3.15Å; F35-A38 PolarHBondContact O-N 2.98Å; F35-A38 VanDerWaalsContact O-N 3.12Å; D36-A38 PolarHBondContact O-N 3.27Å; A38-N42 PolarHBondContact O-N 2.75Å; A38-N42 PolarHBondContact O-ND2 3.3Å
39	I	95.5	Very high	96	Very high	70 Å²	70	89.7 Å²	89.7	36%	0.359	45%	0.448	S	S	.	.	H	α-helix	trans	-69.8	-40.3	174.2	-60.2	-52.1	0	0	111.2	F35 D36 S37 I45 V47	F35-I39 HydrophobicContact CD1-CG1 3.92Å; F35-I39 HydrophobicContact CE1-CD1 4.05Å; F35-I39 HydrophobicContact CE1-CG1 3.57Å; F35-I39 HydrophobicContact CE2-CD1 4.35Å; F35-I39 HydrophobicContact CZ-CD1 3.87Å; F35-I39 HydrophobicContact CZ-CG1 3.94Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.38Å; D36-I39 PolarHBondContact O-N 2.94Å; S37-I39 VanDerWaalsContact C-N 3.29Å; S37-I39 PolarHBondContact O-N 3.14Å; I39-I45 HydrophobicContact CD1-CD1 4.4Å; I39-I45 HydrophobicContact CD1-CG2 3.7Å; I39-V47 HydrophobicContact CD1-CG2 4.31Å
40	E	95.1	Very high	96	Very high	163 Å²	163	94.8 Å²	94.8	76%	0.762	46%	0.464	S	S	*	.	H	α-helix	trans	-69.8	-35.8	179.2	-72	177.4	-179.8	0	112.8	D36 S37	D36-E40 WeakPolarHBondContact O-CG 3.4Å; D36-E40 PolarHBondContact O-N 2.99Å; S37-E40 PolarHBondContact O-N 3.41Å; S37-E40 VanDerWaalsContact O-N 3.15Å
41	D	93.8	Very high	96	Very high	117 Å²	117	93.8 Å²	93.8	63%	0.626	46%	0.462	S	S	*	.	H	α-helix	trans	-79.7	-15.4	-175.9	-68.1	-33.3	0	0	113.6	S37	S37-D41 VanDerWaalsContact O-CB 3.31Å; S37-D41 WeakPolarHBondContact O-CB 3.41Å; S37-D41 PolarHBondContact O-N 3.48Å; S37-D41 VanDerWaalsContact O-OD2 3.07Å; S37-D41 PolarHBondContact OG-OD2 2.78Å
42	N	93.3	Very high	96	Very high	55 Å²	55	94.8 Å²	94.8	29%	0.294	47%	0.472	S	S	.	.			trans	-120.9	118.4	-175.4	-66.1	-87.6	0	0	111.7	A38 F44 I45	A38-N42 PolarHBondContact O-N 2.75Å; A38-N42 PolarHBondContact O-ND2 3.3Å; N42-F44 VanDerWaalsContact C-N 3.3Å; N42-F44 PolarHBondContact O-N 2.93Å; N42-I45 HydrophobicContact CB-CB 4.04Å; N42-I45 HydrophobicContact CB-CD1 4.37Å
43	K	94.8	Very high	96.1	Very high	168 Å²	168	98.4 Å²	98.4	73%	0.73	47%	0.471	S	S	*	.	S	Bend	trans	-62.1	-38.4	177.3	-178.1	-178.1	176.1	-171.3	112.4
44	F	95.7	Very high	96.2	Very high	151 Å²	151	91.5 Å²	91.5	66%	0.662	44%	0.444	S	S	*	.	S	Bend	trans	-128.9	121.4	176	-58.4	-64.3	0	0	108.7	N42	N42-F44 VanDerWaalsContact C-N 3.3Å; N42-F44 PolarHBondContact O-N 2.93Å
45	I	95.8	Very high	96.3	Very high	62 Å²	62	93.9 Å²	93.9	32%	0.318	47%	0.469	S	S	.	.			trans	-139.4	130.3	178	-168.8	168.7	0	0	109.9	L30 I39 N42 V47	L30-I45 HydrophobicContact CD1-CD1 4.2Å; I39-I45 HydrophobicContact CD1-CD1 4.4Å; I39-I45 HydrophobicContact CD1-CG2 3.7Å; N42-I45 HydrophobicContact CB-CB 4.04Å; N42-I45 HydrophobicContact CB-CD1 4.37Å; I45-V47 HydrophobicContact CD1-CG2 4.27Å; I45-V47 HydrophobicContact CG1-CG2 4.04Å; I45-V47 HydrophobicContact CG2-CG2 4.47Å
46	L	97.3	Very high	96.4	Very high	137 Å²	137	98.8 Å²	98.8	72%	0.717	49%	0.493	S	S	*	.			trans	-100.7	124.9	169.4	177.8	64.7	0	0	107.9	Y64	L46-Y64 HydrophobicContact CD2-CE2 4.06Å; L46-Y64 HydrophobicContact CG-CE2 4.4Å; L46-Y64 PolarHBondContact O-OH 3.17Å
47	V	97.8	Very high	96.5	Very high	43 Å²	43	94.3 Å²	94.3	26%	0.261	47%	0.47	S	S	.	.			trans	-115.9	124.7	-178.7	-177.7	0	0	0	110.3	L30 F35 I39 I45 F49	L30-V47 HydrophobicContact CD1-CG2 4.29Å; F35-V47 HydrophobicContact CE2-CG1 4.14Å; F35-V47 HydrophobicContact CE2-CG2 4.48Å; I39-V47 HydrophobicContact CD1-CG2 4.31Å; I45-V47 HydrophobicContact CD1-CG2 4.27Å; I45-V47 HydrophobicContact CG1-CG2 4.04Å; I45-V47 HydrophobicContact CG2-CG2 4.47Å; V47-F49 HydrophobicContact CB-CE2 4.18Å; V47-F49 HydrophobicContact CG1-CD2 4.09Å; V47-F49 HydrophobicContact CG1-CE1 4.4Å; V47-F49 HydrophobicContact CG1-CE2 3.67Å; V47-F49 HydrophobicContact CG1-CZ 3.85Å
48	E	98	Very high	96.6	Very high	52 Å²	52	98.5 Å²	98.5	24%	0.243	48%	0.483	C	S	.	.			trans	-93.7	118.4	167.2	-170.8	-165.8	175.3	0	110.6	Y64	E48-Y64 HydrophobicContact CB-CE2 4.04Å
49	F	98.1	Very high	96.8	Very high	167 Å²	167	102 Å²	102	73%	0.732	51%	0.512	S	S	*	.			trans	-91.5	109.6	166.6	-63.5	-90.7	0	0	108.9	F35 V47	F35-F49 HydrophobicContact CE2-CE1 4.16Å; F35-F49 AromaticContact CE2-CZ 3.8Å; F35-F49 HydrophobicContact CE2-CZ 3.8Å; F35-F49 AromaticContact CZ-CZ 3.93Å; F35-F49 HydrophobicContact CZ-CZ 3.93Å; V47-F49 HydrophobicContact CB-CE2 4.18Å; V47-F49 HydrophobicContact CG1-CD2 4.09Å; V47-F49 HydrophobicContact CG1-CE1 4.4Å; V47-F49 HydrophobicContact CG1-CE2 3.67Å; V47-F49 HydrophobicContact CG1-CZ 3.85Å
50	Y	97.6	Very high	96.9	Very high	148 Å²	148	102.5 Å²	102.5	58%	0.58	52%	0.515	S	S	*	.			trans	-121.9	169.2	-172.6	77.2	-85.1	0	0	113	P52	Y50-P52 HydrophobicContact CE2-CG 4.46Å
51	A	98	Very high	97	Very high	22 Å²	22	96.7 Å²	96.7	18%	0.182	50%	0.495	C	S	.	.			trans	-126.1	135.1	171.5	0	0	0	0	110.6	W53 C54	A51-W53 HydrophobicContact CB-CD2 4.09Å; A51-W53 HydrophobicContact CB-CH2 4.39Å; A51-W53 HydrophobicContact CB-CZ2 3.86Å; A51-W53 PolarHBondContact O-N 3.35Å; A51-C54 HydrophobicContact CB-CB 4.18Å; A51-C54 WeakPolarHBondContact O-CB 3.4Å; A51-C54 PolarHBondContact O-N 3.26Å
52	P	96.7	Very high	97.2	Very high	95 Å²	95	94.6 Å²	94.6	62%	0.617	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.1	-177.3	-25.9	34.5	0	0	115.1	Y50 K58	Y50-P52 HydrophobicContact CE2-CG 4.46Å; P52-K58 WeakPolarHBondContact O-CE 3.45Å; P52-K58 PolarHBondContact O-NZ 3.02Å; P52-K58 VanDerWaalsContact O-NZ 3.14Å
53	W	97.5	Very high	97.4	Very high	215 Å²	215	97.1 Å²	97.1	81%	0.814	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-2	179.4	47.6	-97.8	0	0	113.3	A51 G55	A51-W53 HydrophobicContact CB-CD2 4.09Å; A51-W53 HydrophobicContact CB-CH2 4.39Å; A51-W53 HydrophobicContact CB-CZ2 3.86Å; A51-W53 PolarHBondContact O-N 3.35Å; W53-G55 PolarHBondContact O-N 3.46Å
54	C	98.1	Very high	97.6	Very high	31 Å²	31	91.3 Å²	91.3	21%	0.209	47%	0.471	C	S	.	.			trans	-81.7	117.4	179.2	-178.7	0	0	0	111.1	A51 H56 C57 K58	A51-C54 HydrophobicContact CB-CB 4.18Å; A51-C54 WeakPolarHBondContact O-CB 3.4Å; A51-C54 PolarHBondContact O-N 3.26Å; C54-H56 VanDerWaalsContact C-N 3.3Å; C54-H56 PolarHBondContact O-N 3.04Å; C54-C57 HydrophobicContact CB-CB 3.93Å; C54-C57 VanDerWaalsContact CB-SG 3.58Å; C54-C57 PolarHBondContact O-N 3.32Å; C54-C57 PolarHBondContact SG-SG 2.83Å; C54-K58 WeakPolarHBondContact O-CG 3.3Å; C54-K58 PolarHBondContact O-N 3.49Å; C54-K58 VanDerWaalsContact O-N 3.16Å
55	G	97.8	Very high	97.7	Very high	52 Å²	52	85.9 Å²	85.9	54%	0.536	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-35.3	177.7	0	0	0	0	113.5	W53 K58 A59	W53-G55 PolarHBondContact O-N 3.46Å; G55-K58 PolarHBondContact O-N 2.84Å; G55-A59 PolarHBondContact O-N 2.79Å
56	H	97.6	Very high	97.8	Very high	163 Å²	163	88.3 Å²	88.3	76%	0.755	46%	0.459	S	S	*	.	H	α-helix	trans	-68.1	-41.2	177.5	-64.6	-72.9	0	0	112.3	C54 K58 A59 L60	C54-H56 VanDerWaalsContact C-N 3.3Å; C54-H56 PolarHBondContact O-N 3.04Å; H56-K58 VanDerWaalsContact C-N 3.33Å; H56-K58 PolarHBondContact O-N 3.04Å; H56-A59 PolarHBondContact O-N 2.92Å; H56-L60 PolarHBondContact O-N 2.86Å
57	C	98	Very high	97.8	Very high	24 Å²	24	84 Å²	84	16%	0.162	44%	0.443	C	S	.	.	H	α-helix	trans	-61.8	-42.9	174.9	-62.1	0	0	0	111.1	C54 A59 L60 A61	C54-C57 HydrophobicContact CB-CB 3.93Å; C54-C57 VanDerWaalsContact CB-SG 3.58Å; C54-C57 PolarHBondContact O-N 3.32Å; C54-C57 PolarHBondContact SG-SG 2.83Å; C57-A59 VanDerWaalsContact C-N 3.29Å; C57-A59 PolarHBondContact O-N 2.63Å; C57-L60 PolarHBondContact O-N 3.28Å; C57-L60 VanDerWaalsContact O-N 3.12Å; C57-A61 PolarHBondContact O-N 3.47Å
58	K	97.4	Very high	97.8	Very high	133 Å²	133	82.9 Å²	82.9	58%	0.578	44%	0.438	S	S	*	.	H	α-helix	trans	-61.6	-37.9	175.4	-69.2	179.6	-176.2	-178.6	112.7	P52 C54 G55 H56 L60 P62	P52-K58 WeakPolarHBondContact O-CE 3.45Å; P52-K58 PolarHBondContact O-NZ 3.02Å; P52-K58 VanDerWaalsContact O-NZ 3.14Å; C54-K58 WeakPolarHBondContact O-CG 3.3Å; C54-K58 PolarHBondContact O-N 3.49Å; C54-K58 VanDerWaalsContact O-N 3.16Å; G55-K58 PolarHBondContact O-N 2.84Å; H56-K58 VanDerWaalsContact C-N 3.33Å; H56-K58 PolarHBondContact O-N 3.04Å; K58-L60 VanDerWaalsContact C-N 3.33Å; K58-P62 WeakPolarHBondContact O-CD 3.45Å
59	A	98.1	Very high	97.8	Very high	74 Å²	74	84.7 Å²	84.7	61%	0.612	45%	0.445	S	S	*	.	H	α-helix	trans	-69.8	-30.6	176.1	0	0	0	0	112.5	G55 H56 C57 P62	G55-A59 PolarHBondContact O-N 2.79Å; H56-A59 PolarHBondContact O-N 2.92Å; C57-A59 VanDerWaalsContact C-N 3.29Å; C57-A59 PolarHBondContact O-N 2.63Å; A59-P62 WeakPolarHBondContact O-CD 3.37Å
60	L	98.3	Very high	97.8	Very high	80 Å²	80	81.6 Å²	81.6	42%	0.419	43%	0.434	S	S	.	.	H	α-helix	trans	-77.9	-36.2	178.6	-178	60.4	0	0	113.1	H56 C57 K58 P62 E63 Y64	H56-L60 PolarHBondContact O-N 2.86Å; C57-L60 PolarHBondContact O-N 3.28Å; C57-L60 VanDerWaalsContact O-N 3.12Å; K58-L60 VanDerWaalsContact C-N 3.33Å; L60-P62 VanDerWaalsContact C-CD 3.45Å; L60-P62 VanDerWaalsContact O-N 3.15Å; L60-E63 PolarHBondContact O-N 3.45Å; L60-Y64 PolarHBondContact O-N 2.94Å
61	A	97.4	Very high	97.8	Very high	42 Å²	42	78.7 Å²	78.7	35%	0.347	43%	0.428	S	S	.	.	H	α-helix	trans	-42.9	-47.9	-176.4	0	0	0	0	115.8	C57 E63 Y64 T65	C57-A61 PolarHBondContact O-N 3.47Å; A61-E63 PolarHBondContact O-N 3.17Å; A61-Y64 PolarHBondContact O-N 3.4Å; A61-T65 WeakPolarHBondContact O-CG2 3.28Å; A61-T65 PolarHBondContact O-N 3.13Å; A61-T65 PolarHBondContact O-OG1 3.41Å
62	P	98	Very high	97.6	Very high	72 Å²	72	82.6 Å²	82.6	47%	0.468	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-34.4	178.1	25.2	-35.3	0	0	113.7	K58 A59 L60 T65 K66	K58-P62 WeakPolarHBondContact O-CD 3.45Å; A59-P62 WeakPolarHBondContact O-CD 3.37Å; L60-P62 VanDerWaalsContact C-CD 3.45Å; L60-P62 VanDerWaalsContact O-N 3.15Å; P62-T65 PolarHBondContact O-OG1 3.42Å; P62-T65 VanDerWaalsContact O-OG1 3.05Å; P62-K66 VanDerWaalsContact O-CB 3.28Å; P62-K66 WeakPolarHBondContact O-CB 3.46Å; P62-K66 PolarHBondContact O-N 2.91Å
63	E	98.3	Very high	97.6	Very high	108 Å²	108	82.9 Å²	82.9	51%	0.505	44%	0.438	S	S	.	.	H	α-helix	trans	-76.9	-32.6	177	-62.7	-56	139.1	0	111.4	L60 A61 K66 A67	L60-E63 PolarHBondContact O-N 3.45Å; A61-E63 PolarHBondContact O-N 3.17Å; E63-K66 IonicContact OE2-NZ 2.63Å; E63-K66 PolarHBondContact OE2-NZ 3.2Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å; E63-A67 PolarHBondContact O-N 3.48Å
64	Y	98.4	Very high	97.5	Very high	46 Å²	46	79.2 Å²	79.2	18%	0.18	43%	0.43	C	S	.	.	H	α-helix	trans	-66	-47.4	176.7	-162.6	-98.2	0	0	111.9	V27 L46 E48 L60 A61 K66 A67 A68	V27-Y64 HydrophobicContact CB-CE1 4.5Å; V27-Y64 HydrophobicContact CG1-CD1 4.17Å; V27-Y64 HydrophobicContact CG1-CE1 3.67Å; V27-Y64 HydrophobicContact CG2-CD1 3.75Å; V27-Y64 HydrophobicContact CG2-CE1 3.96Å; L46-Y64 HydrophobicContact CD2-CE2 4.06Å; L46-Y64 HydrophobicContact CG-CE2 4.4Å; L46-Y64 PolarHBondContact O-OH 3.17Å; E48-Y64 HydrophobicContact CB-CE2 4.04Å; L60-Y64 PolarHBondContact O-N 2.94Å; A61-Y64 PolarHBondContact O-N 3.4Å; Y64-K66 PolarHBondContact O-N 2.98Å; Y64-A67 PolarHBondContact O-N 3.05Å; Y64-A68 WeakPolarHBondContact O-CB 3.39Å; Y64-A68 PolarHBondContact O-N 3.03Å
65	T	97.6	Very high	97.2	Very high	37 Å²	37	84 Å²	84	23%	0.227	45%	0.453	C	S	.	.	H	α-helix	trans	-64.1	-38.7	175.8	53.5	0	0	0	112.3	D25 V27 A61 P62 A68 K69	D25-T65 HydrophobicContact CB-CG2 3.53Å; V27-T65 HydrophobicContact CG2-CG2 4.07Å; A61-T65 WeakPolarHBondContact O-CG2 3.28Å; A61-T65 PolarHBondContact O-N 3.13Å; A61-T65 PolarHBondContact O-OG1 3.41Å; P62-T65 PolarHBondContact O-OG1 3.42Å; P62-T65 VanDerWaalsContact O-OG1 3.05Å; T65-A68 PolarHBondContact O-N 3.07Å; T65-K69 PolarHBondContact O-N 3.4Å
66	K	98	Very high	96.5	Very high	114 Å²	114	84.9 Å²	84.9	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-61.6	-44.9	172.9	178.5	-178.3	169.3	-164.8	112.1	P62 E63 Y64 K69 M70	P62-K66 VanDerWaalsContact O-CB 3.28Å; P62-K66 WeakPolarHBondContact O-CB 3.46Å; P62-K66 PolarHBondContact O-N 2.91Å; E63-K66 IonicContact OE2-NZ 2.63Å; E63-K66 PolarHBondContact OE2-NZ 3.2Å; Y64-K66 PolarHBondContact O-N 2.98Å; K66-K69 PolarHBondContact O-N 3.27Å; K66-M70 HydrophobicContact CG-SD 4.44Å; K66-M70 WeakPolarHBondContact O-CG 3.49Å; K66-M70 PolarHBondContact O-N 3.01Å
67	A	97.9	Very high	95.2	Very high	46 Å²	46	85.1 Å²	85.1	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-44.1	176.3	0	0	0	0	111.6	E63 Y64 K69 M70 L71	E63-A67 WeakPolarHBondContact O-CB 3.36Å; E63-A67 PolarHBondContact O-N 3.48Å; Y64-A67 PolarHBondContact O-N 3.05Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 3.34Å; A67-M70 PolarHBondContact O-N 3.49Å; A67-M70 VanDerWaalsContact O-N 3.13Å; A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 3.04Å
68	A	97.7	Very high	95.1	Very high	19 Å²	19	88.2 Å²	88.2	16%	0.157	47%	0.472	C	S	.	.	H	α-helix	trans	-59.7	-41.5	176.6	0	0	0	0	111.9	N26 V27 Y64 T65 L71 K72	N26-A68 HydrophobicContact CB-CB 4.06Å; N26-A68 WeakPolarHBondContact O-CB 3.49Å; V27-A68 HydrophobicContact CG2-CB 3.75Å; Y64-A68 WeakPolarHBondContact O-CB 3.39Å; Y64-A68 PolarHBondContact O-N 3.03Å; T65-A68 PolarHBondContact O-N 3.07Å; A68-L71 PolarHBondContact O-N 2.94Å; A68-K72 WeakPolarHBondContact O-CB 3.49Å; A68-K72 PolarHBondContact O-N 3.44Å
69	K	97.6	Very high	95	Very high	91 Å²	91	85.8 Å²	85.8	40%	0.396	47%	0.467	S	S	.	.	H	α-helix	trans	-59.8	-47.1	172.6	-166.9	-165.3	-178.4	-44	112.1	N26 T65 K66 A67 L71 K72 D73	N26-K69 HydrophobicContact CB-CB 4.41Å; T65-K69 PolarHBondContact O-N 3.4Å; K66-K69 PolarHBondContact O-N 3.27Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 3.34Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L71 PolarHBondContact O-N 2.94Å; K69-K72 PolarHBondContact O-N 2.98Å; K69-D73 IonicContact NZ-OD1 3.42Å; K69-D73 PolarHBondContact NZ-OD1 3.12Å; K69-D73 IonicContact NZ-OD2 2.86Å; K69-D73 PolarHBondContact NZ-OD2 3.14Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 2.96Å
70	M	97.7	Very high	94.8	Very high	101 Å²	101	86.4 Å²	86.4	50%	0.498	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-44.2	179.7	-70.5	171.7	60.9	0	111.7	K66 A67 K72 D73 E74	K66-M70 HydrophobicContact CG-SD 4.44Å; K66-M70 WeakPolarHBondContact O-CG 3.49Å; K66-M70 PolarHBondContact O-N 3.01Å; A67-M70 PolarHBondContact O-N 3.49Å; A67-M70 VanDerWaalsContact O-N 3.13Å; M70-K72 VanDerWaalsContact C-N 3.34Å; M70-K72 PolarHBondContact O-N 2.91Å; M70-D73 PolarHBondContact O-N 2.97Å; M70-E74 WeakPolarHBondContact O-CG 2.82Å; M70-E74 PolarHBondContact O-N 3.16Å
71	L	97	Very high	94.6	Very high	87 Å²	87	86.8 Å²	86.8	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-40	177.3	-69.2	171.5	0	0	112.2	A67 A68 K69 E74 N75 S76	A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 3.04Å; A68-L71 PolarHBondContact O-N 2.94Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L71 PolarHBondContact O-N 2.94Å; L71-E74 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-N 3.35Å; L71-S76 WeakPolarHBondContact O-CB 3.49Å; L71-S76 PolarHBondContact O-N 3.39Å
72	K	94.4	Very high	94.4	Very high	105 Å²	105	89.6 Å²	89.6	46%	0.457	47%	0.468	S	S	.	.	H	α-helix	trans	-65.1	-43.3	175.6	-170.7	167.7	-175.9	165.5	112	E23 A68 K69 M70 E74 N75	E23-K72 IonicContact OE1-NZ 2.75Å; E23-K72 PolarHBondContact OE1-NZ 3.38Å; E23-K72 IonicContact OE2-NZ 2.78Å; E23-K72 PolarHBondContact OE2-NZ 3.2Å; A68-K72 WeakPolarHBondContact O-CB 3.49Å; A68-K72 PolarHBondContact O-N 3.44Å; K69-K72 PolarHBondContact O-N 2.98Å; M70-K72 VanDerWaalsContact C-N 3.34Å; M70-K72 PolarHBondContact O-N 2.91Å; K72-E74 PolarHBondContact O-N 3.42Å; K72-N75 PolarHBondContact O-N 3.02Å; K72-N75 VanDerWaalsContact O-N 3.17Å
73	D	96.5	Very high	94.2	Very high	101 Å²	101	90.8 Å²	90.8	54%	0.54	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-30.1	176.7	-68.6	-14.6	0	0	111.9	K69 M70 N75	K69-D73 IonicContact NZ-OD1 3.42Å; K69-D73 PolarHBondContact NZ-OD1 3.12Å; K69-D73 IonicContact NZ-OD2 2.86Å; K69-D73 PolarHBondContact NZ-OD2 3.14Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 2.96Å; M70-D73 PolarHBondContact O-N 2.97Å; D73-N75 VanDerWaalsContact C-N 3.35Å
74	E	96.1	Very high	93.9	Very high	138 Å²	138	89.6 Å²	89.6	65%	0.645	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.1	177.3	-71.3	-179.8	-179.5	0	114	M70 L71 K72 S76	M70-E74 WeakPolarHBondContact O-CG 2.82Å; M70-E74 PolarHBondContact O-N 3.16Å; L71-E74 PolarHBondContact O-N 3.42Å; K72-E74 PolarHBondContact O-N 3.42Å; E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 3.47Å
75	N	91.3	Very high	93.6	Very high	131 Å²	131	92.9 Å²	92.9	70%	0.701	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	44.1	-171.2	-50.1	-87.7	0	0	112	L71 K72 D73 D77	L71-N75 PolarHBondContact O-N 3.35Å; K72-N75 PolarHBondContact O-N 3.02Å; K72-N75 VanDerWaalsContact O-N 3.17Å; D73-N75 VanDerWaalsContact C-N 3.35Å; N75-D77 PolarHBondContact O-N 3.48Å
76	S	83.7	Confident	93.2	Very high	71 Å²	71	97.6 Å²	97.6	50%	0.497	51%	0.509	S	S	.	.			trans	-78.1	68.2	179.2	176.4	0	0	0	111.4	L71 E74	L71-S76 WeakPolarHBondContact O-CB 3.49Å; L71-S76 PolarHBondContact O-N 3.39Å; E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 3.47Å
77	D	70.7	Confident	92.8	Very high	167 Å²	167	96.1 Å²	96.1	89%	0.893	51%	0.511	S	S	*	.			trans	-94.1	0	172.4	-60.1	-29.2	0	0	112.8	N75	N75-D77 PolarHBondContact O-N 3.48Å

Retrieved 77 of 77 residues in 149 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).