A0A077ZQZ1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

						>A0A077ZQZ1_TRITR|A0A077ZQZ1
MSQWREKVSAPGKRPPMPHDGFGLYRFEIVGRLCYTILPSQLDIVEGSEGHHSHMYPLINSWGRYNLKTNASWIAHLMHFFANGIDYKGYQLQAALRKRLMDIKTQVAQCNSCEEVLIKTDLFPSKSKYLRELRANANLPSTCH
					

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	44.9	Very low	44.8	Very low	216 Å²	216	114.9 Å²	114.9	100%	1.064	59%	0.591	S	S	*	*				0	2.2	0	-76.4	-164.7	-118.6	0	0	115.4
2	S	48.4	Very low	45.2	Very low	97 Å²	97	112.8 Å²	112.8	68%	0.678	62%	0.619	S	S	*	*			trans	-88.2	-45	-172.6	-155.3	0	0	0	0	115.2	W4 R5	S2-W4 VanDerWaalsContact C-N 3.27Å; S2-W4 PolarHBondContact O-N 3.46Å; S2-R5 PolarHBondContact O-N 3.23Å
3	Q	43.2	Very low	45	Very low	159 Å²	159	115.8 Å²	115.8	74%	0.743	62%	0.622	S	S	*	*	H	α-helix	trans	-67.6	-19.2	-175.8	-80.8	-179	-8.2	0	0	115.4
4	W	41.5	Very low	44.8	Very low	113 Å²	113	124.1 Å²	124.1	43%	0.428	64%	0.64	S	S	.	*	H	α-helix	trans	-76.6	-33.3	-177.5	-135.6	79.7	0	0	0	111.8	S2 E6 K7 V8 L24	S2-W4 VanDerWaalsContact C-N 3.27Å; S2-W4 PolarHBondContact O-N 3.46Å; W4-E6 VanDerWaalsContact C-N 3.33Å; W4-E6 PolarHBondContact O-N 3.25Å; W4-K7 PolarHBondContact O-N 2.77Å; W4-V8 HydrophobicContact CD2-CG2 4.28Å; W4-V8 HydrophobicContact CE3-CG2 3.64Å; W4-V8 HydrophobicContact CH2-CG2 4.23Å; W4-V8 HydrophobicContact CZ3-CG2 3.62Å; W4-V8 WeakPolarHBondContact O-CG2 3.49Å; W4-V8 PolarHBondContact O-N 3.26Å; W4-L24 HydrophobicContact CH2-CD1 3.73Å; W4-L24 HydrophobicContact CZ2-CD1 4.32Å
5	R	41.6	Very low	44.6	Very low	130 Å²	130	117.7 Å²	117.7	49%	0.491	61%	0.609	S	S	.	*	H	α-helix	trans	-64.5	-36.1	179.8	-69	-172.2	-168.7	-141	3.4	112.8	S2 K7 S9 I85	S2-R5 PolarHBondContact O-N 3.23Å; R5-K7 VanDerWaalsContact C-N 3.35Å; R5-S9 WeakPolarHBondContact O-CB 3.14Å; R5-S9 PolarHBondContact O-OG 3.48Å; R5-I85 VanDerWaalsContact NH2-CD1 3.26Å
6	E	44.4	Very low	44.7	Very low	150 Å²	150	113.3 Å²	113.3	70%	0.701	59%	0.591	S	S	*	*	H	α-helix	trans	-70	-31	-179.9	-73.3	178	161.1	0	0	112.7	W4	W4-E6 VanDerWaalsContact C-N 3.33Å; W4-E6 PolarHBondContact O-N 3.25Å
7	K	45.2	Very low	44.5	Very low	131 Å²	131	116.5 Å²	116.5	57%	0.57	61%	0.605	S	S	*	*	H	α-helix	trans	-80.5	-28	-177.7	-74.3	-175.4	177.8	178.3	0	114	W4 R5	W4-K7 PolarHBondContact O-N 2.77Å; R5-K7 VanDerWaalsContact C-N 3.35Å
8	V	44.7	Very low	44.4	Very low	24 Å²	24	112 Å²	112	15%	0.145	58%	0.584	C	S	.	*	H	α-helix	trans	-91.6	-15.8	-176.4	-164.5	0	0	0	0	112.8	W4 P15 Y35	W4-V8 HydrophobicContact CD2-CG2 4.28Å; W4-V8 HydrophobicContact CE3-CG2 3.64Å; W4-V8 HydrophobicContact CH2-CG2 4.23Å; W4-V8 HydrophobicContact CZ3-CG2 3.62Å; W4-V8 WeakPolarHBondContact O-CG2 3.49Å; W4-V8 PolarHBondContact O-N 3.26Å; V8-P15 HydrophobicContact CG1-CB 4.32Å; V8-P15 HydrophobicContact CG2-CB 4.47Å; V8-Y35 HydrophobicContact CG1-CD2 4.49Å
9	S	45.9	Very low	44.1	Very low	78 Å²	78	114.9 Å²	114.9	55%	0.545	59%	0.594	S	S	.	*	S	Bend	trans	-90.9	-3.4	-174.2	-53.7	0	0	0	0	114.8	R5	R5-S9 WeakPolarHBondContact O-CB 3.14Å; R5-S9 PolarHBondContact O-OG 3.48Å
10	A	48.4	Very low	43.9	Very low	32 Å²	32	118 Å²	118	26%	0.264	61%	0.611	S	S	.	*	S	Bend	trans	-81.2	124.5	-179.7	0	0	0	0	0	111.3	G12 K13	A10-G12 PolarHBondContact O-N 3.32Å; A10-K13 HydrophobicContact CB-CB 4.17Å; A10-K13 HydrophobicContact CB-CD 3.93Å; A10-K13 HydrophobicContact CB-CG 3.99Å; A10-K13 PolarHBondContact O-N 3.41Å
11	P	44.9	Very low	43.8	Very low	134 Å²	134	113.8 Å²	113.8	87%	0.87	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	127.2	174.7	-21.7	31.2	0	0	0	110.8	K13	P11-K13 PolarHBondContact O-N 3.11Å
12	G	49.4	Very low	43.6	Very low	90 Å²	90	108.4 Å²	108.4	93%	0.928	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.5	-0.1	176.2	0	0	0	0	0	116.4	A10	A10-G12 PolarHBondContact O-N 3.32Å
13	K	43.1	Very low	43.5	Very low	151 Å²	151	104.9 Å²	104.9	66%	0.657	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-93.6	125	172	-66.2	-163.4	177.3	-177.8	0	110.7	A10 P11	A10-K13 HydrophobicContact CB-CB 4.17Å; A10-K13 HydrophobicContact CB-CD 3.93Å; A10-K13 HydrophobicContact CB-CG 3.99Å; A10-K13 PolarHBondContact O-N 3.41Å; P11-K13 PolarHBondContact O-N 3.11Å
14	R	41.3	Very low	43.7	Very low	233 Å²	233	99.4 Å²	99.4	88%	0.879	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61.7	138.4	168.1	-74.1	-175.1	-173.6	178.6	2.5	108.4
15	P	42.7	Very low	44.4	Very low	27 Å²	27	100 Å²	100	18%	0.175	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-55	141.6	169.4	21.7	-29.2	0	0	0	108.7	V8 M17 L24 Y35	V8-P15 HydrophobicContact CG1-CB 4.32Å; V8-P15 HydrophobicContact CG2-CB 4.47Å; P15-M17 PolarHBondContact O-N 2.82Å; P15-L24 HydrophobicContact CB-CD2 4.06Å; P15-L24 HydrophobicContact CG-CD2 3.88Å; P15-Y35 HydrophobicContact CG-CD1 4.38Å; P15-Y35 HydrophobicContact CG-CE1 3.86Å
16	P	45	Very low	45	Very low	48 Å²	48	101.5 Å²	101.5	31%	0.312	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-54.7	132	175.2	22.5	-30.7	0	0	0	108.6
17	M	41.8	Very low	45.5	Very low	168 Å²	168	97 Å²	97	83%	0.828	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-53.3	133.4	167.3	-81	-149.8	-57.6	0	0	107.2	P15 H19	P15-M17 PolarHBondContact O-N 2.82Å; M17-H19 PolarHBondContact O-N 2.82Å
18	P	42.1	Very low	45.5	Very low	35 Å²	35	96.9 Å²	96.9	23%	0.227	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-56.8	137.1	169.6	-16.8	30.1	0	0	0	108.2	F22 L24	P18-F22 HydrophobicContact CB-CB 3.5Å; P18-F22 VanDerWaalsContact CB-CB 3.5Å; P18-F22 VanDerWaalsContact CB-O 3.27Å; P18-F22 WeakPolarHBondContact CB-O 3.22Å; P18-F22 HydrophobicContact CG-CB 4.28Å; P18-F22 VanDerWaalsContact CG-O 3.27Å; P18-F22 WeakPolarHBondContact CG-O 3.03Å; P18-L24 HydrophobicContact CG-CB 3.52Å; P18-L24 HydrophobicContact CG-CD1 4.39Å
19	H	39.9	Very low	45.9	Very low	168 Å²	168	99.3 Å²	99.3	78%	0.778	52%	0.522	S	S	*	.	S	Bend	trans	-49.9	147	168.8	-63.7	-81.9	0	0	0	109.8	M17 G21 F22	M17-H19 PolarHBondContact O-N 2.82Å; H19-G21 PolarHBondContact O-N 2.99Å; H19-G21 VanDerWaalsContact O-N 3.12Å; H19-F22 PolarHBondContact O-N 3.09Å
20	D	39.7	Very low	46.2	Very low	175 Å²	175	102.4 Å²	102.4	94%	0.936	54%	0.537	S	S	*	.	S	Bend	trans	-31.7	112.1	-175.1	-60.9	-41.8	0	0	0	112.6
21	G	41.6	Very low	46.1	Very low	30 Å²	30	104 Å²	104	31%	0.309	56%	0.557	S	S	.	*	S	Bend	trans	95.3	40.3	178.6	0	0	0	0	0	115.7	H19 S40	H19-G21 PolarHBondContact O-N 2.99Å; H19-G21 VanDerWaalsContact O-N 3.12Å; G21-S40 WeakPolarHBondContact O-CB 3.33Å; G21-S40 PolarHBondContact O-OG 3.12Å
22	F	41.9	Very low	46.2	Very low	103 Å²	103	103.9 Å²	103.9	45%	0.452	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	127.4	157.3	-79.1	-75.1	0	0	0	109.2	P18 H19 L24 I37 D43	P18-F22 HydrophobicContact CB-CB 3.5Å; P18-F22 VanDerWaalsContact CB-CB 3.5Å; P18-F22 VanDerWaalsContact CB-O 3.27Å; P18-F22 WeakPolarHBondContact CB-O 3.22Å; P18-F22 HydrophobicContact CG-CB 4.28Å; P18-F22 VanDerWaalsContact CG-O 3.27Å; P18-F22 WeakPolarHBondContact CG-O 3.03Å; H19-F22 PolarHBondContact O-N 3.09Å; F22-L24 PolarHBondContact O-N 3.18Å; F22-I37 HydrophobicContact CB-CG2 3.87Å; F22-I37 HydrophobicContact CD1-CG2 3.28Å; F22-I37 HydrophobicContact CE1-CG2 4.12Å; F22-I37 HydrophobicContact CG-CG2 3.84Å; F22-D43 WeakPolarHBondContact CE1-OD2 3.27Å
23	G	45.8	Very low	46.1	Very low	23 Å²	23	101.2 Å²	101.2	24%	0.237	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	104.6	177.8	0	0	0	0	0	110.1	Y25 L38	G23-Y25 WeakPolarHBondContact O-CD2 3.37Å; G23-Y25 PolarHBondContact O-N 3.19Å; G23-L38 PolarHBondContact N-O 3.42Å; G23-L38 PolarHBondContact O-N 3.34Å
24	L	47.5	Very low	46.3	Very low	45 Å²	45	95 Å²	95	24%	0.236	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.2	166.3	-163.2	83.5	0	0	0	108	W4 P15 P18 F22 Y35 T36 I37	W4-L24 HydrophobicContact CH2-CD1 3.73Å; W4-L24 HydrophobicContact CZ2-CD1 4.32Å; P15-L24 HydrophobicContact CB-CD2 4.06Å; P15-L24 HydrophobicContact CG-CD2 3.88Å; P18-L24 HydrophobicContact CG-CB 3.52Å; P18-L24 HydrophobicContact CG-CD1 4.39Å; F22-L24 PolarHBondContact O-N 3.18Å; L24-Y35 HydrophobicContact CD2-CD1 3.72Å; L24-Y35 HydrophobicContact CD2-CE1 4.32Å; L24-Y35 HydrophobicContact CG-CD1 4.25Å; L24-T36 WeakPolarHBondContact CA-O 3.39Å; L24-I37 HydrophobicContact CD1-CG1 4.28Å
25	Y	55.6	Low	46.8	Very low	126 Å²	126	87 Å²	87	49%	0.494	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.1	173.7	-76.7	-98.7	0	0	0	109.8	G23 F27 T36 L38	G23-Y25 WeakPolarHBondContact O-CD2 3.37Å; G23-Y25 PolarHBondContact O-N 3.19Å; Y25-F27 HydrophobicContact CG-CE2 4.42Å; Y25-F27 HydrophobicContact CG-CZ 4.34Å; Y25-T36 PolarHBondContact N-O 2.88Å; Y25-T36 PolarHBondContact O-N 2.94Å; Y25-T36 VanDerWaalsContact O-N 3.12Å; Y25-L38 HydrophobicContact CD1-CD1 4.31Å; Y25-L38 HydrophobicContact CD2-CB 3.78Å; Y25-L38 HydrophobicContact CD2-CD1 3.34Å; Y25-L38 HydrophobicContact CD2-CG 3.6Å; Y25-L38 HydrophobicContact CE2-CB 4.09Å; Y25-L38 HydrophobicContact CE2-CD1 3.7Å; Y25-L38 HydrophobicContact CE2-CG 4.23Å; Y25-L38 HydrophobicContact CG-CD1 3.67Å; Y25-L38 HydrophobicContact CG-CG 4.13Å
26	R	54.7	Low	47.3	Very low	160 Å²	160	86 Å²	86	60%	0.604	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.5	172.1	176.3	-173.8	168.3	-139.5	-11.9	107.7	E28 L33 Y35	R26-E28 IonicContact NH2-OE2 2.78Å; R26-L33 HydrophobicContact CG-CD1 3.68Å; R26-L33 HydrophobicContact CG-CD2 4.42Å; R26-L33 HydrophobicContact CG-CG 4.12Å; R26-Y35 HydrophobicContact CB-CD1 4.34Å; R26-Y35 HydrophobicContact CB-CE1 4.18Å; R26-Y35 HydrophobicContact CG-CE1 4.18Å
27	F	54	Low	47.7	Very low	57 Å²	57	87.6 Å²	87.6	25%	0.25	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.3	173	-62.5	-84.1	0	0	0	109.5	Y25 C34 T36 L38	Y25-F27 HydrophobicContact CG-CE2 4.42Å; Y25-F27 HydrophobicContact CG-CZ 4.34Å; F27-C34 HydrophobicContact CB-CB 4.32Å; F27-C34 PolarHBondContact N-O 3.32Å; F27-C34 PolarHBondContact O-N 3.12Å; F27-T36 HydrophobicContact CD2-CG2 3.8Å; F27-T36 HydrophobicContact CE2-CG2 3.35Å; F27-T36 HydrophobicContact CZ-CG2 4.49Å; F27-L38 HydrophobicContact CZ-CD1 4.33Å
28	E	45.9	Very low	48.4	Very low	128 Å²	128	80.9 Å²	80.9	60%	0.598	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	117.9	169	-170.9	172.4	161.9	0	0	108.9	R26 R32 L33	R26-E28 IonicContact NH2-OE2 2.78Å; E28-R32 WeakPolarHBondContact CA-O 3.36Å; E28-L33 HydrophobicContact CB-CD1 4.29Å
29	I	53.6	Low	48.9	Very low	74 Å²	74	79.8 Å²	79.8	38%	0.379	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	111.7	-178.6	-58.8	177.1	0	0	0	107.8	G31 R32 F81	I29-G31 VanDerWaalsContact C-N 3.31Å; I29-G31 PolarHBondContact O-N 2.78Å; I29-R32 PolarHBondContact N-O 2.93Å; I29-R32 WeakPolarHBondContact O-CB 3.29Å; I29-R32 PolarHBondContact O-N 2.84Å; I29-F81 HydrophobicContact CD1-CD1 4.38Å; I29-F81 HydrophobicContact CD1-CD2 4.37Å; I29-F81 HydrophobicContact CD1-CE1 3.7Å; I29-F81 HydrophobicContact CD1-CE2 3.68Å; I29-F81 HydrophobicContact CD1-CZ 3.31Å
30	V	52.3	Low	49.4	Very low	144 Å²	144	72.3 Å²	72.3	87%	0.873	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	47.4	177.2	-165.9	0	0	0	0	111.6	R32	V30-R32 PolarHBondContact O-N 2.94Å
31	G	46.2	Very low	49.8	Very low	65 Å²	65	72.3 Å²	72.3	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	6.1	-178.2	0	0	0	0	0	115.1	I29	I29-G31 VanDerWaalsContact C-N 3.31Å; I29-G31 PolarHBondContact O-N 2.78Å
32	R	45.7	Very low	50.1	Low	132 Å²	132	75.4 Å²	75.4	50%	0.498	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.4	174	-59	-173.5	-179.7	-159.6	-1	110.3	E28 I29 V30 Y90	E28-R32 WeakPolarHBondContact CA-O 3.36Å; I29-R32 PolarHBondContact N-O 2.93Å; I29-R32 WeakPolarHBondContact O-CB 3.29Å; I29-R32 PolarHBondContact O-N 2.84Å; V30-R32 PolarHBondContact O-N 2.94Å; R32-Y90 VanDerWaalsContact NH1-CE1 3.32Å
33	L	48.3	Very low	50.5	Low	33 Å²	33	72.1 Å²	72.1	17%	0.173	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.2	175.3	-154	71.5	0	0	0	110.5	R26 E28 Y35 Y87	R26-L33 HydrophobicContact CG-CD1 3.68Å; R26-L33 HydrophobicContact CG-CD2 4.42Å; R26-L33 HydrophobicContact CG-CG 4.12Å; E28-L33 HydrophobicContact CB-CD1 4.29Å; L33-Y35 HydrophobicContact CD2-CE1 4.42Å; L33-Y35 HydrophobicContact CD2-CE2 3.63Å; L33-Y35 VanDerWaalsContact CD2-CZ 3.48Å; L33-Y35 WeakPolarHBondContact CD2-OH 3.4Å; L33-Y35 HydrophobicContact CG-CE2 4.16Å; L33-Y87 HydrophobicContact CB-CE1 4.21Å; L33-Y87 WeakPolarHBondContact O-CD1 3.46Å; L33-Y87 VanDerWaalsContact O-CE1 3.22Å; L33-Y87 WeakPolarHBondContact O-CE1 3.47Å
34	C	46.4	Very low	50.6	Low	22 Å²	22	72.7 Å²	72.7	15%	0.149	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131	176.8	-64.9	0	0	0	0	108.7	F27 F81	F27-C34 HydrophobicContact CB-CB 4.32Å; F27-C34 PolarHBondContact N-O 3.32Å; F27-C34 PolarHBondContact O-N 3.12Å; C34-F81 HydrophobicContact CB-CE1 4.07Å
35	Y	53.1	Low	50.5	Low	64 Å²	64	75.6 Å²	75.6	25%	0.251	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.6	169.7	-63.8	-84.2	0	0	0	108.2	V8 P15 L24 R26 L33	V8-Y35 HydrophobicContact CG1-CD2 4.49Å; P15-Y35 HydrophobicContact CG-CD1 4.38Å; P15-Y35 HydrophobicContact CG-CE1 3.86Å; L24-Y35 HydrophobicContact CD2-CD1 3.72Å; L24-Y35 HydrophobicContact CD2-CE1 4.32Å; L24-Y35 HydrophobicContact CG-CD1 4.25Å; R26-Y35 HydrophobicContact CB-CD1 4.34Å; R26-Y35 HydrophobicContact CB-CE1 4.18Å; R26-Y35 HydrophobicContact CG-CE1 4.18Å; L33-Y35 HydrophobicContact CD2-CE1 4.42Å; L33-Y35 HydrophobicContact CD2-CE2 3.63Å; L33-Y35 VanDerWaalsContact CD2-CZ 3.48Å; L33-Y35 WeakPolarHBondContact CD2-OH 3.4Å; L33-Y35 HydrophobicContact CG-CE2 4.16Å
36	T	51.6	Low	50.3	Low	7 Å²	7	76.5 Å²	76.5	4%	0.043	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.6	172	-172.9	0	0	0	0	110.3	L24 Y25 F27 L38 F80	L24-T36 WeakPolarHBondContact CA-O 3.39Å; Y25-T36 PolarHBondContact N-O 2.88Å; Y25-T36 PolarHBondContact O-N 2.94Å; Y25-T36 VanDerWaalsContact O-N 3.12Å; F27-T36 HydrophobicContact CD2-CG2 3.8Å; F27-T36 HydrophobicContact CE2-CG2 3.35Å; F27-T36 HydrophobicContact CZ-CG2 4.49Å; T36-L38 HydrophobicContact CG2-CD2 3.98Å; T36-L38 HydrophobicContact CG2-CG 4.2Å; T36-L38 PolarHBondContact O-N 3.2Å; T36-F80 VanDerWaalsContact CB-CE1 3.48Å; T36-F80 HydrophobicContact CG2-CE1 4.35Å; T36-F80 HydrophobicContact CG2-CZ 4.46Å; T36-F80 WeakPolarHBondContact OG1-CD2 3.47Å; T36-F80 WeakPolarHBondContact OG1-CE2 3.34Å; T36-F80 WeakPolarHBondContact OG1-CZ 3.36Å
37	I	54.9	Low	49.9	Very low	81 Å²	81	70.8 Å²	70.8	42%	0.415	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	101.7	169.5	-62.8	171.4	0	0	0	105	F22 L24	F22-I37 HydrophobicContact CB-CG2 3.87Å; F22-I37 HydrophobicContact CD1-CG2 3.28Å; F22-I37 HydrophobicContact CE1-CG2 4.12Å; F22-I37 HydrophobicContact CG-CG2 3.84Å; L24-I37 HydrophobicContact CD1-CG1 4.28Å
38	L	56.1	Low	49.7	Very low	27 Å²	27	69.9 Å²	69.9	14%	0.141	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.4	164.2	-66.5	-171.4	0	0	0	108	G23 Y25 F27 T36 S40	G23-L38 PolarHBondContact N-O 3.42Å; G23-L38 PolarHBondContact O-N 3.34Å; Y25-L38 HydrophobicContact CD1-CD1 4.31Å; Y25-L38 HydrophobicContact CD2-CB 3.78Å; Y25-L38 HydrophobicContact CD2-CD1 3.34Å; Y25-L38 HydrophobicContact CD2-CG 3.6Å; Y25-L38 HydrophobicContact CE2-CB 4.09Å; Y25-L38 HydrophobicContact CE2-CD1 3.7Å; Y25-L38 HydrophobicContact CE2-CG 4.23Å; Y25-L38 HydrophobicContact CG-CD1 3.67Å; Y25-L38 HydrophobicContact CG-CG 4.13Å; F27-L38 HydrophobicContact CZ-CD1 4.33Å; T36-L38 HydrophobicContact CG2-CD2 3.98Å; T36-L38 HydrophobicContact CG2-CG 4.2Å; T36-L38 PolarHBondContact O-N 3.2Å; L38-S40 PolarHBondContact O-N 3.31Å
39	P	51.8	Low	50	Low	11 Å²	11	73.5 Å²	73.5	7%	0.071	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	137.2	174.1	23	-31.8	0	0	0	108.4	D43 I44 W73	P39-D43 HydrophobicContact CB-CB 3.56Å; P39-I44 HydrophobicContact CB-CG1 3.97Å; P39-I44 HydrophobicContact CG-CD1 4.25Å; P39-I44 HydrophobicContact CG-CG1 3.87Å; P39-W73 HydrophobicContact CG-CH2 4.22Å
40	S	50	Low	50	Low	12 Å²	12	71.4 Å²	71.4	8%	0.084	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63.7	167.1	173.4	57.1	0	0	0	0	112	G21 L38 L42 D43 I44	G21-S40 WeakPolarHBondContact O-CB 3.33Å; G21-S40 PolarHBondContact O-OG 3.12Å; L38-S40 PolarHBondContact O-N 3.31Å; S40-L42 PolarHBondContact O-N 2.88Å; S40-L42 PolarHBondContact OG-N 2.91Å; S40-D43 PolarHBondContact N-OD2 3.5Å; S40-D43 CarbonylContact O-C 3.4Å; S40-D43 WeakPolarHBondContact O-CA 3.48Å; S40-D43 PolarHBondContact O-N 3.45Å; S40-D43 PolarHBondContact OG-N 2.97Å; S40-D43 PolarHBondContact OG-OD2 3.09Å; S40-I44 VanDerWaalsContact O-CG1 3.26Å; S40-I44 WeakPolarHBondContact O-CG1 3.03Å; S40-I44 PolarHBondContact O-N 3.22Å
41	Q	49.7	Very low	50	Low	174 Å²	174	70.9 Å²	70.9	81%	0.813	38%	0.383	S	S	*	.	H	α-helix	trans	-52.1	-36.5	169.4	-71.5	-178.4	-22.9	0	0	111.3	I44 V45	Q41-I44 PolarHBondContact O-N 3.36Å; Q41-V45 WeakPolarHBondContact O-CB 3.4Å; Q41-V45 WeakPolarHBondContact O-CG2 3.4Å; Q41-V45 PolarHBondContact O-N 3.36Å
42	L	46.6	Very low	50.4	Low	96 Å²	96	69.4 Å²	69.4	50%	0.503	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-48.8	173.3	-76.8	154	0	0	0	111.5	S40 I44 V45 E46	S40-L42 PolarHBondContact O-N 2.88Å; S40-L42 PolarHBondContact OG-N 2.91Å; L42-I44 PolarHBondContact O-N 3.26Å; L42-I44 VanDerWaalsContact O-N 3.09Å; L42-V45 PolarHBondContact O-N 3.45Å; L42-E46 HydrophobicContact CD2-CG 4.38Å; L42-E46 WeakPolarHBondContact CD2-OE1 3.5Å; L42-E46 WeakPolarHBondContact O-CB 3.27Å; L42-E46 PolarHBondContact O-N 2.73Å
43	D	50	Low	50.6	Low	33 Å²	33	66.5 Å²	66.5	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-70	-0.9	174.5	-61.3	-55.8	0	0	0	114.9	F22 P39 S40 Y56	F22-D43 WeakPolarHBondContact CE1-OD2 3.27Å; P39-D43 HydrophobicContact CB-CB 3.56Å; S40-D43 PolarHBondContact N-OD2 3.5Å; S40-D43 CarbonylContact O-C 3.4Å; S40-D43 WeakPolarHBondContact O-CA 3.48Å; S40-D43 PolarHBondContact O-N 3.45Å; S40-D43 PolarHBondContact OG-N 2.97Å; S40-D43 PolarHBondContact OG-OD2 3.09Å; D43-Y56 PolarHBondContact O-OH 3.42Å
44	I	49.7	Very low	50.9	Low	36 Å²	36	70 Å²	70	19%	0.185	37%	0.374	C	S	.	.	H	α-helix	trans	-103.3	-22.1	171	-67.9	166.1	0	0	0	110.4	P39 S40 Q41 L42 Y56 I59 W73	P39-I44 HydrophobicContact CB-CG1 3.97Å; P39-I44 HydrophobicContact CG-CD1 4.25Å; P39-I44 HydrophobicContact CG-CG1 3.87Å; S40-I44 VanDerWaalsContact O-CG1 3.26Å; S40-I44 WeakPolarHBondContact O-CG1 3.03Å; S40-I44 PolarHBondContact O-N 3.22Å; Q41-I44 PolarHBondContact O-N 3.36Å; L42-I44 PolarHBondContact O-N 3.26Å; L42-I44 VanDerWaalsContact O-N 3.09Å; I44-Y56 WeakPolarHBondContact CA-OH 3.01Å; I44-Y56 PolarHBondContact N-OH 2.92Å; I44-Y56 WeakPolarHBondContact O-CD1 3.45Å; I44-Y56 WeakPolarHBondContact O-CE1 3.1Å; I44-I59 HydrophobicContact CG2-CD1 3.9Å; I44-I59 HydrophobicContact CG2-CG2 4.47Å; I44-W73 HydrophobicContact CD1-CH2 4.46Å; I44-W73 HydrophobicContact CD1-CZ2 4.44Å
45	V	45.3	Very low	51.2	Low	106 Å²	106	69.2 Å²	69.2	64%	0.642	37%	0.368	S	S	*	.	H	α-helix	trans	-100	-38.8	-176.9	171.9	0	0	0	0	111.5	Q41 L42	Q41-V45 WeakPolarHBondContact O-CB 3.4Å; Q41-V45 WeakPolarHBondContact O-CG2 3.4Å; Q41-V45 PolarHBondContact O-N 3.36Å; L42-V45 PolarHBondContact O-N 3.45Å
46	E	50.6	Low	51	Low	145 Å²	145	67.6 Å²	67.6	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-7.4	-169.1	-64.4	-173.5	161.7	0	0	114.8	L42	L42-E46 HydrophobicContact CD2-CG 4.38Å; L42-E46 WeakPolarHBondContact CD2-OE1 3.5Å; L42-E46 WeakPolarHBondContact O-CB 3.27Å; L42-E46 PolarHBondContact O-N 2.73Å
47	G	45.5	Very low	50.9	Low	40 Å²	40	72 Å²	72	41%	0.412	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	70.9	178.9	0	0	0	0	0	112.1	E49 Y56	G47-E49 PolarHBondContact O-N 3.05Å; G47-Y56 WeakPolarHBondContact CA-OH 3.04Å; G47-Y56 VanDerWaalsContact N-CZ 3.28Å; G47-Y56 PolarHBondContact N-OH 2.9Å
48	S	50.1	Low	50.6	Low	37 Å²	37	69.6 Å²	69.6	26%	0.259	38%	0.378	S	S	.	.			trans	-68.2	136.1	166.5	77.4	0	0	0	0	109.3	G50 Y56	S48-G50 PolarHBondContact O-N 3.47Å; S48-Y56 PolarHBondContact N-OH 3.34Å
49	E	52.9	Low	50.3	Low	204 Å²	204	69.2 Å²	69.2	95%	0.953	38%	0.376	S	S	*	.	S	Bend	trans	-62.3	7.3	176.6	-65.2	-173.8	157.4	0	0	113.5	G47	G47-E49 PolarHBondContact O-N 3.05Å
50	G	53.1	Low	49.9	Very low	30 Å²	30	75.3 Å²	75.3	31%	0.309	41%	0.408	S	S	.	.	S	Bend	trans	-74.2	172.7	174.5	0	0	0	0	0	113.5	S48 H52 S53	S48-G50 PolarHBondContact O-N 3.47Å; G50-H52 PolarHBondContact O-N 2.95Å; G50-S53 PolarHBondContact O-N 3.02Å
51	H	52.7	Low	49.7	Very low	134 Å²	134	77 Å²	77	62%	0.62	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	6.7	-173.7	-78.4	53.9	0	0	0	116.2	H54 H79	H51-H54 PolarHBondContact O-CE1 3.36Å; H51-H54 PolarHBondContact O-ND1 2.85Å; H51-H79 AromaticContact CD2-NE2 3.7Å
52	H	54	Low	49.5	Very low	33 Å²	33	78.7 Å²	78.7	15%	0.153	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.7	-177.4	-49.6	-96.1	0	0	0	113.4	G50 H54 M55 Y56 H76	G50-H52 PolarHBondContact O-N 2.95Å; H52-H54 PolarHBondContact O-N 3.42Å; H52-M55 WeakPolarHBondContact O-CB 3.21Å; H52-M55 PolarHBondContact O-N 3.48Å; H52-Y56 WeakPolarHBondContact O-CD2 2.98Å; H52-H76 AromaticContact CE1-CD2 3.93Å; H52-H76 AromaticContact CE1-CE1 2.89Å; H52-H76 PolarHBondContact CE1-CE1 3.47Å; H52-H76 AromaticContact CE1-ND1 3.75Å; H52-H76 AromaticContact CE1-NE2 3Å; H52-H76 PolarHBondContact CE1-NE2 3.17Å; H52-H76 AromaticContact ND1-CE1 3.16Å; H52-H76 PolarHBondContact ND1-CE1 2.88Å; H52-H76 AromaticContact ND1-ND1 3.54Å; H52-H76 AromaticContact ND1-NE2 3.46Å; H52-H76 PolarHBondContact ND1-NE2 3.24Å; H52-H76 AromaticContact NE2-CE1 3.71Å
53	S	49.7	Very low	49	Very low	72 Å²	72	78 Å²	78	50%	0.503	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-52.1	-29	179.7	57.8	0	0	0	0	113.7	G50 M55 Y56	G50-S53 PolarHBondContact O-N 3.02Å; S53-M55 VanDerWaalsContact C-N 3.3Å; S53-M55 PolarHBondContact O-N 3.46Å; S53-Y56 WeakPolarHBondContact O-CD2 2.88Å; S53-Y56 PolarHBondContact O-N 3.37Å
54	H	55.1	Low	48.8	Very low	106 Å²	106	86 Å²	86	49%	0.491	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-73.8	-12.8	176.2	69	-83.5	0	0	0	115.1	H51 H52	H51-H54 PolarHBondContact O-CE1 3.36Å; H51-H54 PolarHBondContact O-ND1 2.85Å; H52-H54 PolarHBondContact O-N 3.42Å
55	M	52.4	Low	49.1	Very low	5 Å²	5	92.7 Å²	92.7	3%	0.025	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-83.7	-21.7	177.5	-62.9	-71.2	-83.3	0	0	112.1	H52 S53 L58 I59 S72 W73	H52-M55 WeakPolarHBondContact O-CB 3.21Å; H52-M55 PolarHBondContact O-N 3.48Å; S53-M55 VanDerWaalsContact C-N 3.3Å; S53-M55 PolarHBondContact O-N 3.46Å; M55-L58 WeakPolarHBondContact O-CB 2.91Å; M55-L58 PolarHBondContact O-N 2.87Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-I59 HydrophobicContact CB-CD1 4.34Å; M55-I59 WeakPolarHBondContact O-CG1 3.4Å; M55-I59 PolarHBondContact O-N 3.5Å; M55-S72 WeakPolarHBondContact SD-CB 3.35Å; M55-W73 HydrophobicContact CE-CB 4.07Å; M55-W73 HydrophobicContact CE-CD2 3.46Å; M55-W73 VanDerWaalsContact CE-CD2 3.46Å; M55-W73 HydrophobicContact CE-CE3 4.11Å; M55-W73 HydrophobicContact CE-CG 3.42Å; M55-W73 VanDerWaalsContact CE-CG 3.42Å; M55-W73 HydrophobicContact CE-CZ2 4.34Å; M55-W73 VanDerWaalsContact CE-N 3.35Å
56	Y	50	Low	50.1	Low	31 Å²	31	90.4 Å²	90.4	12%	0.122	47%	0.471	C	S	.	.	H	α-helix	trans	-59.8	-45.1	-176.1	-77.7	-97.5	0	0	0	114.9	D43 I44 G47 S48 H52 S53 L58 I59 N60	D43-Y56 PolarHBondContact O-OH 3.42Å; I44-Y56 WeakPolarHBondContact CA-OH 3.01Å; I44-Y56 PolarHBondContact N-OH 2.92Å; I44-Y56 WeakPolarHBondContact O-CD1 3.45Å; I44-Y56 WeakPolarHBondContact O-CE1 3.1Å; G47-Y56 WeakPolarHBondContact CA-OH 3.04Å; G47-Y56 VanDerWaalsContact N-CZ 3.28Å; G47-Y56 PolarHBondContact N-OH 2.9Å; S48-Y56 PolarHBondContact N-OH 3.34Å; H52-Y56 WeakPolarHBondContact O-CD2 2.98Å; S53-Y56 WeakPolarHBondContact O-CD2 2.88Å; S53-Y56 PolarHBondContact O-N 3.37Å; Y56-L58 PolarHBondContact O-N 3.42Å; Y56-I59 PolarHBondContact O-N 3.42Å; Y56-I59 VanDerWaalsContact O-N 3.07Å; Y56-N60 PolarHBondContact O-N 3.3Å
57	P	48.8	Very low	51.1	Low	98 Å²	98	86.7 Å²	86.7	64%	0.636	46%	0.455	S	S	*	.	H	α-helix	trans	-62.7	-19.6	178.7	-21.2	33.8	0	0	0	113.1
58	L	49.2	Very low	52.7	Low	32 Å²	32	88.4 Å²	88.4	17%	0.168	45%	0.451	C	S	.	.	H	α-helix	trans	-88.4	-19.5	179.9	-59.4	171.4	0	0	0	112.9	M55 Y56 K68 T69 S72	M55-L58 WeakPolarHBondContact O-CB 2.91Å; M55-L58 PolarHBondContact O-N 2.87Å; M55-L58 VanDerWaalsContact O-N 3.14Å; Y56-L58 PolarHBondContact O-N 3.42Å; L58-K68 HydrophobicContact CD1-CG 4.49Å; L58-K68 HydrophobicContact CD2-CB 4.46Å; L58-K68 HydrophobicContact CD2-CD 4.09Å; L58-K68 HydrophobicContact CD2-CG 4.29Å; L58-T69 PolarHBondContact O-OG1 3.16Å; L58-S72 WeakPolarHBondContact CD1-OG 3.36Å
59	I	48.8	Very low	53.8	Low	19 Å²	19	87.6 Å²	87.6	10%	0.097	45%	0.445	C	S	.	.	H	α-helix	trans	-100	-19.8	-174.5	-65.1	172.6	0	0	0	112	I44 M55 Y56 S61 W62 T69	I44-I59 HydrophobicContact CG2-CD1 3.9Å; I44-I59 HydrophobicContact CG2-CG2 4.47Å; M55-I59 HydrophobicContact CB-CD1 4.34Å; M55-I59 WeakPolarHBondContact O-CG1 3.4Å; M55-I59 PolarHBondContact O-N 3.5Å; Y56-I59 PolarHBondContact O-N 3.42Å; Y56-I59 VanDerWaalsContact O-N 3.07Å; I59-S61 CarbonylContact O-C 3.1Å; I59-S61 PolarHBondContact O-N 3.03Å; I59-W62 HydrophobicContact CG2-CD2 4.29Å; I59-W62 HydrophobicContact CG2-CZ2 3.53Å; I59-W62 VanDerWaalsContact O-CD1 3.26Å; I59-W62 PolarHBondContact O-N 3.28Å; I59-T69 HydrophobicContact CG1-CG2 4.03Å
60	N	43.1	Very low	54.9	Low	139 Å²	139	80.5 Å²	80.5	74%	0.743	41%	0.414	S	S	*	.	S	Bend	trans	-59	-1.1	-179	-84.7	-5.8	0	0	0	116.1	Y56	Y56-N60 PolarHBondContact O-N 3.3Å
61	S	45.9	Very low	56.3	Low	46 Å²	46	79.1 Å²	79.1	32%	0.322	40%	0.399	S	S	.	.			trans	-128.6	68.3	167.4	65.7	0	0	0	0	111	I59 G63 R64	I59-S61 CarbonylContact O-C 3.1Å; I59-S61 PolarHBondContact O-N 3.03Å; S61-G63 PolarHBondContact O-N 2.9Å; S61-R64 CarbonylContact O-C 3.47Å; S61-R64 PolarHBondContact O-N 2.86Å
62	W	45.4	Very low	57.6	Low	211 Å²	211	73.6 Å²	73.6	80%	0.799	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-23.2	169	-72.4	93.1	0	0	0	112.8	I59	I59-W62 HydrophobicContact CG2-CD2 4.29Å; I59-W62 HydrophobicContact CG2-CZ2 3.53Å; I59-W62 VanDerWaalsContact O-CD1 3.26Å; I59-W62 PolarHBondContact O-N 3.28Å
63	G	37.3	Very low	58.8	Low	81 Å²	81	75 Å²	75	84%	0.835	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.2	172	0	0	0	0	0	116.2	S61	S61-G63 PolarHBondContact O-N 2.9Å
64	R	45.7	Very low	60.5	Low	200 Å²	200	73.4 Å²	73.4	76%	0.755	37%	0.365	S	S	*	.	S	Bend	trans	-127	106.1	173.1	-64.7	-174.8	-179.5	-171.5	0.2	108.5	S61 N66	S61-R64 CarbonylContact O-C 3.47Å; S61-R64 PolarHBondContact O-N 2.86Å; R64-N66 PolarHBondContact O-N 2.91Å
65	Y	56.3	Low	62	Low	177 Å²	177	68.7 Å²	68.7	69%	0.694	35%	0.345	S	S	*	.			trans	-54.9	108.4	174	-178.9	-111.7	0	0	0	110.1	L67 N70	Y65-L67 HydrophobicContact CD1-CD2 4.25Å; Y65-L67 HydrophobicContact CD1-CG 4.28Å; Y65-L67 HydrophobicContact CE1-CD2 3.33Å; Y65-L67 HydrophobicContact CE1-CG 3.82Å; Y65-N70 PolarHBondContact OH-ND2 3.02Å; Y65-N70 VanDerWaalsContact OH-ND2 3.16Å
66	N	65.7	Low	63.4	Low	58 Å²	58	69.1 Å²	69.1	31%	0.31	35%	0.346	S	S	.	.			trans	-101.7	104.2	179.1	-173.9	-11.1	0	0	0	109.2	R64 K68 T69	R64-N66 PolarHBondContact O-N 2.91Å; N66-K68 PolarHBondContact O-N 3.16Å; N66-K68 VanDerWaalsContact O-N 3.08Å; N66-K68 WeakPolarHBondContact OD1-CB 3.24Å; N66-K68 PolarHBondContact OD1-N 3.13Å; N66-T69 VanDerWaalsContact O-CB 3.27Å; N66-T69 WeakPolarHBondContact O-CB 3.35Å; N66-T69 PolarHBondContact O-N 3.01Å; N66-T69 PolarHBondContact O-OG1 2.88Å
67	L	71.1	Confident	65	Low	67 Å²	67	69.9 Å²	69.9	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-54.1	-28.9	178.1	-76	169.3	0	0	0	112.9	Y65 T69 N70 N111	Y65-L67 HydrophobicContact CD1-CD2 4.25Å; Y65-L67 HydrophobicContact CD1-CG 4.28Å; Y65-L67 HydrophobicContact CE1-CD2 3.33Å; Y65-L67 HydrophobicContact CE1-CG 3.82Å; L67-T69 VanDerWaalsContact C-N 3.25Å; L67-T69 PolarHBondContact O-N 3.22Å; L67-N70 PolarHBondContact O-N 3.19Å; L67-N111 CarbonylContact C-O 3.58Å; L67-N111 VanDerWaalsContact CB-O 3.29Å; L67-N111 WeakPolarHBondContact CB-O 3.42Å
68	K	79.5	Confident	66.8	Low	77 Å²	77	65.6 Å²	65.6	34%	0.335	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-25.7	179.7	-170.3	171.3	-179	169.5	0	112.3	L58 N66 N70 A71 S72 N111	L58-K68 HydrophobicContact CD1-CG 4.49Å; L58-K68 HydrophobicContact CD2-CB 4.46Å; L58-K68 HydrophobicContact CD2-CD 4.09Å; L58-K68 HydrophobicContact CD2-CG 4.29Å; N66-K68 PolarHBondContact O-N 3.16Å; N66-K68 VanDerWaalsContact O-N 3.08Å; N66-K68 WeakPolarHBondContact OD1-CB 3.24Å; N66-K68 PolarHBondContact OD1-N 3.13Å; K68-N70 VanDerWaalsContact C-N 3.28Å; K68-N70 PolarHBondContact O-N 2.89Å; K68-A71 PolarHBondContact O-N 3.18Å; K68-S72 WeakPolarHBondContact O-CB 3.24Å; K68-S72 PolarHBondContact O-N 2.76Å; K68-S72 PolarHBondContact O-OG 3Å; K68-N111 VanDerWaalsContact CA-O 3.25Å; K68-N111 WeakPolarHBondContact CA-O 3.28Å; K68-N111 PolarHBondContact N-O 2.82Å
69	T	72.9	Confident	68.6	Low	19 Å²	19	66.2 Å²	66.2	12%	0.117	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-41.8	176.2	-56.3	0	0	0	0	110.4	L58 I59 N66 L67 S72 W73	L58-T69 PolarHBondContact O-OG1 3.16Å; I59-T69 HydrophobicContact CG1-CG2 4.03Å; N66-T69 VanDerWaalsContact O-CB 3.27Å; N66-T69 WeakPolarHBondContact O-CB 3.35Å; N66-T69 PolarHBondContact O-N 3.01Å; N66-T69 PolarHBondContact O-OG1 2.88Å; L67-T69 VanDerWaalsContact C-N 3.25Å; L67-T69 PolarHBondContact O-N 3.22Å; T69-S72 PolarHBondContact O-N 3.46Å; T69-W73 PolarHBondContact O-N 2.89Å
70	N	77.2	Confident	70.1	Confident	56 Å²	56	68 Å²	68	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-43.8	178.4	-62	-20	0	0	0	112.1	Y65 L67 K68 S72 W73 I74 C113	Y65-N70 PolarHBondContact OH-ND2 3.02Å; Y65-N70 VanDerWaalsContact OH-ND2 3.16Å; L67-N70 PolarHBondContact O-N 3.19Å; K68-N70 VanDerWaalsContact C-N 3.28Å; K68-N70 PolarHBondContact O-N 2.89Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 3.09Å; N70-W73 PolarHBondContact O-N 3.28Å; N70-I74 WeakPolarHBondContact O-CG1 3.31Å; N70-I74 PolarHBondContact O-N 3.47Å; N70-C113 WeakPolarHBondContact CB-SG 3.26Å
71	A	81.7	Confident	71.9	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-40.2	174.2	0	0	0	0	0	111.5	K68 W73 I74 A75 V107 C110 V116	K68-A71 PolarHBondContact O-N 3.18Å; A71-W73 PolarHBondContact O-N 2.48Å; A71-I74 WeakPolarHBondContact O-CB 3.45Å; A71-I74 PolarHBondContact O-N 2.79Å; A71-A75 PolarHBondContact O-N 3.36Å; A71-V107 WeakPolarHBondContact O-CG1 3.41Å; A71-C110 HydrophobicContact CB-CB 4.27Å; A71-V116 HydrophobicContact CB-CG2 4.08Å
72	S	79.7	Confident	73.7	Confident	17 Å²	17	61.5 Å²	61.5	12%	0.119	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-36	179.2	-50.7	0	0	0	0	111.7	M55 L58 K68 T69 N70 A75 H76	M55-S72 WeakPolarHBondContact SD-CB 3.35Å; L58-S72 WeakPolarHBondContact CD1-OG 3.36Å; K68-S72 WeakPolarHBondContact O-CB 3.24Å; K68-S72 PolarHBondContact O-N 2.76Å; K68-S72 PolarHBondContact O-OG 3Å; T69-S72 PolarHBondContact O-N 3.46Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 3.09Å; S72-A75 PolarHBondContact O-N 2.96Å; S72-H76 WeakPolarHBondContact O-CB 3.26Å; S72-H76 PolarHBondContact O-N 3.01Å
73	W	79.4	Confident	75.5	Confident	62 Å²	62	54.3 Å²	54.3	24%	0.235	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-40.3	171.2	-86.5	114.5	0	0	0	112.2	P39 I44 M55 T69 N70 A71 H76 L77	P39-W73 HydrophobicContact CG-CH2 4.22Å; I44-W73 HydrophobicContact CD1-CH2 4.46Å; I44-W73 HydrophobicContact CD1-CZ2 4.44Å; M55-W73 HydrophobicContact CE-CB 4.07Å; M55-W73 HydrophobicContact CE-CD2 3.46Å; M55-W73 VanDerWaalsContact CE-CD2 3.46Å; M55-W73 HydrophobicContact CE-CE3 4.11Å; M55-W73 HydrophobicContact CE-CG 3.42Å; M55-W73 VanDerWaalsContact CE-CG 3.42Å; M55-W73 HydrophobicContact CE-CZ2 4.34Å; M55-W73 VanDerWaalsContact CE-N 3.35Å; T69-W73 PolarHBondContact O-N 2.89Å; N70-W73 PolarHBondContact O-N 3.28Å; A71-W73 PolarHBondContact O-N 2.48Å; W73-H76 WeakPolarHBondContact O-CB 3.49Å; W73-H76 PolarHBondContact O-N 3.03Å; W73-L77 WeakPolarHBondContact O-CG 3.36Å; W73-L77 PolarHBondContact O-N 3.49Å
74	I	84.6	Confident	77.4	Confident	39 Å²	39	51.3 Å²	51.3	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-47.7	174	-64.8	168.5	0	0	0	110.1	N70 A71 H76 L77 M78 V107 C113 V116 L122	N70-I74 WeakPolarHBondContact O-CG1 3.31Å; N70-I74 PolarHBondContact O-N 3.47Å; A71-I74 WeakPolarHBondContact O-CB 3.45Å; A71-I74 PolarHBondContact O-N 2.79Å; I74-H76 VanDerWaalsContact C-N 3.27Å; I74-H76 PolarHBondContact O-N 3.09Å; I74-L77 PolarHBondContact O-N 3.03Å; I74-M78 HydrophobicContact CG2-CE 4.42Å; I74-M78 HydrophobicContact CG2-CG 4.42Å; I74-M78 HydrophobicContact CG2-SD 4.19Å; I74-M78 VanDerWaalsContact O-CG 3.27Å; I74-M78 WeakPolarHBondContact O-CG 3.45Å; I74-M78 PolarHBondContact O-N 3.01Å; I74-V107 HydrophobicContact CB-CG1 4Å; I74-V107 HydrophobicContact CG2-CG1 3.92Å; I74-V107 HydrophobicContact CG2-CG2 4.27Å; I74-C113 VanDerWaalsContact CD1-SG 3.56Å; I74-V116 HydrophobicContact CD1-CG1 4.27Å; I74-V116 HydrophobicContact CD1-CG2 4.41Å; I74-L122 HydrophobicContact CG2-CD2 4.25Å
75	A	86.9	Confident	78.6	Confident	8 Å²	8	45 Å²	45	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-38	177.4	0	0	0	0	0	112.3	A71 S72 M78 H79 K104 V107	A71-A75 PolarHBondContact O-N 3.36Å; S72-A75 PolarHBondContact O-N 2.96Å; A75-M78 PolarHBondContact O-N 3.49Å; A75-H79 PolarHBondContact O-N 2.78Å; A75-K104 HydrophobicContact CB-CG 4.01Å; A75-V107 HydrophobicContact CB-CB 4.36Å; A75-V107 HydrophobicContact CB-CG1 3.84Å
76	H	81.6	Confident	79.2	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-50	175.2	178.6	69.8	0	0	0	111.5	H52 S72 W73 I74 M78 H79 F80	H52-H76 AromaticContact CE1-CD2 3.93Å; H52-H76 AromaticContact CE1-CE1 2.89Å; H52-H76 PolarHBondContact CE1-CE1 3.47Å; H52-H76 AromaticContact CE1-ND1 3.75Å; H52-H76 AromaticContact CE1-NE2 3Å; H52-H76 PolarHBondContact CE1-NE2 3.17Å; H52-H76 AromaticContact ND1-CE1 3.16Å; H52-H76 PolarHBondContact ND1-CE1 2.88Å; H52-H76 AromaticContact ND1-ND1 3.54Å; H52-H76 AromaticContact ND1-NE2 3.46Å; H52-H76 PolarHBondContact ND1-NE2 3.24Å; H52-H76 AromaticContact NE2-CE1 3.71Å; S72-H76 WeakPolarHBondContact O-CB 3.26Å; S72-H76 PolarHBondContact O-N 3.01Å; W73-H76 WeakPolarHBondContact O-CB 3.49Å; W73-H76 PolarHBondContact O-N 3.03Å; I74-H76 VanDerWaalsContact C-N 3.27Å; I74-H76 PolarHBondContact O-N 3.09Å; H76-M78 VanDerWaalsContact C-N 3.3Å; H76-M78 PolarHBondContact O-N 3.17Å; H76-H79 WeakPolarHBondContact O-CB 3.41Å; H76-H79 PolarHBondContact O-N 3.45Å; H76-H79 VanDerWaalsContact O-N 3.16Å; H76-F80 PolarHBondContact O-N 2.99Å
77	L	83.7	Confident	79.1	Confident	47 Å²	47	39.8 Å²	39.8	25%	0.246	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-40.2	177	-71.5	172.6	0	0	0	111.8	W73 I74 F80 F81	W73-L77 WeakPolarHBondContact O-CG 3.36Å; W73-L77 PolarHBondContact O-N 3.49Å; I74-L77 PolarHBondContact O-N 3.03Å; L77-F80 WeakPolarHBondContact O-CB 3.28Å; L77-F80 PolarHBondContact O-N 3.34Å; L77-F81 HydrophobicContact CB-CD2 4.44Å; L77-F81 HydrophobicContact CB-CE2 4.1Å; L77-F81 WeakPolarHBondContact O-CD2 3.45Å; L77-F81 WeakPolarHBondContact O-CG 3.38Å; L77-F81 PolarHBondContact O-N 3.33Å
78	M	86.8	Confident	79.2	Confident	8 Å²	8	44 Å²	44	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-45.5	174.5	-72.6	-180	146.4	0	0	112.4	I74 A75 H76 F80 F81 A82 L100 I103 K104 V107 L122	I74-M78 HydrophobicContact CG2-CE 4.42Å; I74-M78 HydrophobicContact CG2-CG 4.42Å; I74-M78 HydrophobicContact CG2-SD 4.19Å; I74-M78 VanDerWaalsContact O-CG 3.27Å; I74-M78 WeakPolarHBondContact O-CG 3.45Å; I74-M78 PolarHBondContact O-N 3.01Å; A75-M78 PolarHBondContact O-N 3.49Å; H76-M78 VanDerWaalsContact C-N 3.3Å; H76-M78 PolarHBondContact O-N 3.17Å; M78-F80 VanDerWaalsContact C-N 3.3Å; M78-F80 PolarHBondContact O-N 3.11Å; M78-F81 PolarHBondContact O-N 3.27Å; M78-A82 VanDerWaalsContact O-CB 3.24Å; M78-A82 WeakPolarHBondContact O-CB 3.13Å; M78-A82 PolarHBondContact O-N 3.07Å; M78-L100 HydrophobicContact CB-CD1 4.02Å; M78-L100 HydrophobicContact CB-CG 4.17Å; M78-L100 HydrophobicContact CE-CD1 3.93Å; M78-L100 HydrophobicContact CG-CD1 3.77Å; M78-L100 HydrophobicContact CG-CG 4.45Å; M78-L100 WeakPolarHBondContact O-CD2 3.42Å; M78-L100 HydrophobicContact SD-CD1 4.35Å; M78-I103 HydrophobicContact CE-CB 4.02Å; M78-I103 HydrophobicContact CE-CG2 3.3Å; M78-I103 HydrophobicContact SD-CG2 4.04Å; M78-K104 HydrophobicContact CB-CB 4.06Å; M78-K104 HydrophobicContact CB-CG 4.28Å; M78-K104 HydrophobicContact SD-CB 4.12Å; M78-V107 HydrophobicContact CE-CG2 4.19Å; M78-V107 HydrophobicContact SD-CB 4.4Å; M78-V107 HydrophobicContact SD-CG2 3.76Å; M78-L122 HydrophobicContact CE-CB 4.41Å; M78-L122 HydrophobicContact CE-CD1 3.3Å; M78-L122 HydrophobicContact CE-CD2 3.37Å; M78-L122 HydrophobicContact CE-CG 3.85Å
79	H	86.5	Confident	79	Confident	44 Å²	44	42 Å²	42	20%	0.204	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-42.5	176.2	-175.6	69.4	0	0	0	111.5	H51 A75 H76 A82 N83 K104	H51-H79 AromaticContact CD2-NE2 3.7Å; A75-H79 PolarHBondContact O-N 2.78Å; H76-H79 WeakPolarHBondContact O-CB 3.41Å; H76-H79 PolarHBondContact O-N 3.45Å; H76-H79 VanDerWaalsContact O-N 3.16Å; H79-A82 PolarHBondContact O-N 3.46Å; H79-N83 PolarHBondContact CE1-ND2 3.01Å; H79-N83 PolarHBondContact ND1-ND2 3.25Å; H79-N83 VanDerWaalsContact ND1-ND2 3.19Å; H79-N83 PolarHBondContact O-N 3.39Å; H79-N83 VanDerWaalsContact O-N 3.13Å; H79-N83 PolarHBondContact O-ND2 3.05Å; H79-K104 HydrophobicContact CB-CD 3.93Å; H79-K104 PolarHBondContact ND1-NZ 2.87Å
80	F	80.9	Confident	79.2	Confident	57 Å²	57	44.8 Å²	44.8	25%	0.25	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-51.2	175.4	176	-93.2	0	0	0	111.3	T36 H76 L77 M78 A82 N83 G84	T36-F80 VanDerWaalsContact CB-CE1 3.48Å; T36-F80 HydrophobicContact CG2-CE1 4.35Å; T36-F80 HydrophobicContact CG2-CZ 4.46Å; T36-F80 WeakPolarHBondContact OG1-CD2 3.47Å; T36-F80 WeakPolarHBondContact OG1-CE2 3.34Å; T36-F80 WeakPolarHBondContact OG1-CZ 3.36Å; H76-F80 PolarHBondContact O-N 2.99Å; L77-F80 WeakPolarHBondContact O-CB 3.28Å; L77-F80 PolarHBondContact O-N 3.34Å; M78-F80 VanDerWaalsContact C-N 3.3Å; M78-F80 PolarHBondContact O-N 3.11Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 3.07Å; F80-N83 PolarHBondContact O-N 2.89Å; F80-G84 WeakPolarHBondContact O-CA 3.33Å; F80-G84 PolarHBondContact O-N 3.3Å
81	F	80.9	Confident	79.4	Confident	45 Å²	45	47.5 Å²	47.5	20%	0.197	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-36.1	179.3	-67.5	-53.4	0	0	0	112.5	I29 C34 L77 M78 N83 L92 L100	I29-F81 HydrophobicContact CD1-CD1 4.38Å; I29-F81 HydrophobicContact CD1-CD2 4.37Å; I29-F81 HydrophobicContact CD1-CE1 3.7Å; I29-F81 HydrophobicContact CD1-CE2 3.68Å; I29-F81 HydrophobicContact CD1-CZ 3.31Å; C34-F81 HydrophobicContact CB-CE1 4.07Å; L77-F81 HydrophobicContact CB-CD2 4.44Å; L77-F81 HydrophobicContact CB-CE2 4.1Å; L77-F81 WeakPolarHBondContact O-CD2 3.45Å; L77-F81 WeakPolarHBondContact O-CG 3.38Å; L77-F81 PolarHBondContact O-N 3.33Å; M78-F81 PolarHBondContact O-N 3.27Å; F81-N83 VanDerWaalsContact C-N 3.34Å; F81-N83 PolarHBondContact O-N 3.26Å; F81-L92 WeakPolarHBondContact O-CD1 3.44Å; F81-L100 HydrophobicContact CB-CD2 3.84Å
82	A	84.8	Confident	79.5	Confident	3 Å²	3	50 Å²	50	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-33.1	-179.7	0	0	0	0	0	113.3	M78 H79 F80 R97 L100 M101	M78-A82 VanDerWaalsContact O-CB 3.24Å; M78-A82 WeakPolarHBondContact O-CB 3.13Å; M78-A82 PolarHBondContact O-N 3.07Å; H79-A82 PolarHBondContact O-N 3.46Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 3.07Å; A82-R97 HydrophobicContact CB-CG 4.24Å; A82-R97 VanDerWaalsContact O-CD 3.24Å; A82-R97 WeakPolarHBondContact O-CD 3.28Å; A82-R97 VanDerWaalsContact O-CG 3.31Å; A82-R97 WeakPolarHBondContact O-CG 3.38Å; A82-R97 PolarHBondContact O-NE 3.16Å; A82-L100 HydrophobicContact CB-CB 4.36Å; A82-L100 HydrophobicContact CB-CD2 3.85Å; A82-L100 HydrophobicContact CB-CG 4.2Å; A82-M101 HydrophobicContact CB-CG 3.98Å; A82-M101 HydrophobicContact CB-SD 3.72Å
83	N	83.1	Confident	79.9	Confident	61 Å²	61	55.2 Å²	55.2	33%	0.326	27%	0.27	S	S	.	.	H	α-helix	trans	-112	-7.6	-175	-59.1	-72.9	0	0	0	113.3	H79 F80 F81 R97	H79-N83 PolarHBondContact CE1-ND2 3.01Å; H79-N83 PolarHBondContact ND1-ND2 3.25Å; H79-N83 VanDerWaalsContact ND1-ND2 3.19Å; H79-N83 PolarHBondContact O-N 3.39Å; H79-N83 VanDerWaalsContact O-N 3.13Å; H79-N83 PolarHBondContact O-ND2 3.05Å; F80-N83 PolarHBondContact O-N 2.89Å; F81-N83 VanDerWaalsContact C-N 3.34Å; F81-N83 PolarHBondContact O-N 3.26Å; N83-R97 PolarHBondContact OD1-NE 3.2Å; N83-R97 PolarHBondContact OD1-NH2 2.68Å
84	G	77	Confident	80.4	Confident	18 Å²	18	56.2 Å²	56.2	19%	0.186	29%	0.292	C	S	.	.			trans	-71.2	160.1	178.8	0	0	0	0	0	112.3	F80	F80-G84 WeakPolarHBondContact O-CA 3.33Å; F80-G84 PolarHBondContact O-N 3.3Å
85	I	71.1	Confident	80.7	Confident	68 Å²	68	58 Å²	58	35%	0.349	31%	0.312	S	S	.	.			trans	-113.9	127.8	170.5	-56.5	179.9	0	0	0	105.4	R5 Q91	R5-I85 VanDerWaalsContact NH2-CD1 3.26Å; I85-Q91 HydrophobicContact CG1-CG 3.88Å
86	D	68.9	Low	80.6	Confident	36 Å²	36	61.6 Å²	61.6	19%	0.193	33%	0.33	C	S	.	.			trans	-70.5	176	176.4	80.2	2.7	0	0	0	111.7	K88 G89 Y90	D86-K88 PolarHBondContact O-N 2.89Å; D86-K88 VanDerWaalsContact O-N 3.09Å; D86-K88 VanDerWaalsContact OD1-CA 3.29Å; D86-K88 WeakPolarHBondContact OD1-CA 3.38Å; D86-K88 WeakPolarHBondContact OD1-CB 3.48Å; D86-K88 PolarHBondContact OD1-N 3.24Å; D86-G89 PolarHBondContact O-N 2.94Å; D86-G89 PolarHBondContact OD1-N 3.34Å; D86-G89 VanDerWaalsContact OD1-N 3.11Å; D86-Y90 PolarHBondContact N-O 3.06Å; D86-Y90 WeakPolarHBondContact OD1-CB 3.43Å; D86-Y90 PolarHBondContact OD1-N 3.38Å; D86-Y90 WeakPolarHBondContact OD2-CB 3.27Å
87	Y	63.7	Low	81	Confident	89 Å²	89	66.4 Å²	66.4	35%	0.349	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17	179.6	71.7	-80.1	0	0	0	114	L33	L33-Y87 HydrophobicContact CB-CE1 4.21Å; L33-Y87 WeakPolarHBondContact O-CD1 3.46Å; L33-Y87 VanDerWaalsContact O-CE1 3.22Å; L33-Y87 WeakPolarHBondContact O-CE1 3.47Å
88	K	73.5	Confident	81.4	Confident	154 Å²	154	71 Å²	71	67%	0.67	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	3.3	176.6	-67.2	-179	166.3	169.4	0	112.8	D86 Y90	D86-K88 PolarHBondContact O-N 2.89Å; D86-K88 VanDerWaalsContact O-N 3.09Å; D86-K88 VanDerWaalsContact OD1-CA 3.29Å; D86-K88 WeakPolarHBondContact OD1-CA 3.38Å; D86-K88 WeakPolarHBondContact OD1-CB 3.48Å; D86-K88 PolarHBondContact OD1-N 3.24Å; K88-Y90 VanDerWaalsContact C-N 3.28Å
89	G	74.1	Confident	81.6	Confident	36 Å²	36	76.6 Å²	76.6	37%	0.371	39%	0.386	S	S	.	.	S	Bend	trans	81.5	5.6	-175.1	0	0	0	0	0	113.8	D86	D86-G89 PolarHBondContact O-N 2.94Å; D86-G89 PolarHBondContact OD1-N 3.34Å; D86-G89 VanDerWaalsContact OD1-N 3.11Å
90	Y	76.9	Confident	81.7	Confident	78 Å²	78	75.9 Å²	75.9	31%	0.306	38%	0.384	S	S	.	.			trans	-80.8	136.7	-178	176.2	-90.9	0	0	0	111.1	R32 D86 K88	R32-Y90 VanDerWaalsContact NH1-CE1 3.32Å; D86-Y90 PolarHBondContact N-O 3.06Å; D86-Y90 WeakPolarHBondContact OD1-CB 3.43Å; D86-Y90 PolarHBondContact OD1-N 3.38Å; D86-Y90 WeakPolarHBondContact OD2-CB 3.27Å; K88-Y90 VanDerWaalsContact C-N 3.28Å
91	Q	82.4	Confident	82.2	Confident	113 Å²	113	75.7 Å²	75.7	53%	0.528	38%	0.384	S	S	.	.			trans	-106.7	151.4	170.4	-70.1	179.5	0.9	0	0	109.5	I85 Q93	I85-Q91 HydrophobicContact CG1-CG 3.88Å; Q91-Q93 PolarHBondContact O-N 3.3Å
92	L	82.6	Confident	82.8	Confident	54 Å²	54	77.4 Å²	77.4	28%	0.283	40%	0.395	S	S	.	.			trans	-57.5	135.9	171.9	-85.7	72.8	0	0	0	110.5	F81 L96 R97 L100	F81-L92 WeakPolarHBondContact O-CD1 3.44Å; L92-L96 HydrophobicContact CD2-CB 4.15Å; L92-R97 HydrophobicContact CB-CB 4.12Å; L92-L100 HydrophobicContact CD2-CD2 4.07Å
93	Q	88.2	Confident	83.1	Confident	125 Å²	125	77.5 Å²	77.5	58%	0.584	40%	0.396	S	S	*	.			trans	-52.6	144.2	168.6	-69.2	172.9	21.1	0	0	110.1	Q91 A95 L96 R97	Q91-Q93 PolarHBondContact O-N 3.3Å; Q93-A95 PolarHBondContact O-N 2.93Å; Q93-A95 VanDerWaalsContact O-N 3.09Å; Q93-L96 PolarHBondContact O-N 3.28Å; Q93-R97 PolarHBondContact O-N 2.89Å
94	A	90.1	Very high	83.5	Confident	83 Å²	83	77.2 Å²	77.2	69%	0.686	39%	0.391	S	S	*	.	H	α-helix	trans	-51.4	-40.4	-173.4	0	0	0	0	0	113.4	R97 K98	A94-R97 PolarHBondContact O-N 2.85Å; A94-K98 WeakPolarHBondContact O-CB 3.47Å; A94-K98 PolarHBondContact O-N 3.31Å
95	A	90.4	Very high	84.2	Confident	76 Å²	76	80.5 Å²	80.5	63%	0.628	41%	0.408	S	S	*	.	H	α-helix	trans	-63.2	-45.5	177.6	0	0	0	0	0	112.9	Q93 K98 R99	Q93-A95 PolarHBondContact O-N 2.93Å; Q93-A95 VanDerWaalsContact O-N 3.09Å; A95-K98 PolarHBondContact O-N 2.79Å; A95-R99 PolarHBondContact O-N 3.49Å
96	L	86.5	Confident	85.2	Confident	85 Å²	85	81.2 Å²	81.2	45%	0.445	41%	0.41	S	S	.	.	H	α-helix	trans	-69.6	-39.6	177.8	-69.5	174.7	0	0	0	111.7	L92 Q93 R99 L100	L92-L96 HydrophobicContact CD2-CB 4.15Å; Q93-L96 PolarHBondContact O-N 3.28Å; L96-R99 PolarHBondContact O-N 2.95Å; L96-L100 WeakPolarHBondContact O-CB 2.84Å; L96-L100 PolarHBondContact O-N 3.04Å
97	R	88.7	Confident	86.1	Confident	114 Å²	114	79.5 Å²	79.5	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-47.1	174	178.5	174.8	179	-152.8	-1.7	111.1	A82 N83 L92 Q93 A94 L100 M101	A82-R97 HydrophobicContact CB-CG 4.24Å; A82-R97 VanDerWaalsContact O-CD 3.24Å; A82-R97 WeakPolarHBondContact O-CD 3.28Å; A82-R97 VanDerWaalsContact O-CG 3.31Å; A82-R97 WeakPolarHBondContact O-CG 3.38Å; A82-R97 PolarHBondContact O-NE 3.16Å; N83-R97 PolarHBondContact OD1-NE 3.2Å; N83-R97 PolarHBondContact OD1-NH2 2.68Å; L92-R97 HydrophobicContact CB-CB 4.12Å; Q93-R97 PolarHBondContact O-N 2.89Å; A94-R97 PolarHBondContact O-N 2.85Å; R97-L100 PolarHBondContact O-N 2.94Å; R97-M101 WeakPolarHBondContact O-CG 3.33Å; R97-M101 PolarHBondContact O-N 3.02Å
98	K	92.1	Very high	87.3	Confident	143 Å²	143	77.6 Å²	77.6	62%	0.622	40%	0.404	S	S	*	.	H	α-helix	trans	-58.7	-52.4	176.4	-176.4	-177	175.7	-172	0	110.8	A94 A95 L100 M101 D102	A94-K98 WeakPolarHBondContact O-CB 3.47Å; A94-K98 PolarHBondContact O-N 3.31Å; A95-K98 PolarHBondContact O-N 2.79Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.43Å; K98-M101 PolarHBondContact O-N 3.47Å; K98-D102 VanDerWaalsContact O-CG 3.3Å; K98-D102 PolarHBondContact O-N 3.27Å
99	R	90.5	Very high	88	Confident	126 Å²	126	77.1 Å²	77.1	48%	0.475	40%	0.404	S	S	.	.	H	α-helix	trans	-53.7	-45.5	177.5	-177.5	178.9	178.1	-142.7	-2.7	111.8	A95 L96 M101 D102 I103 D121	A95-R99 PolarHBondContact O-N 3.49Å; L96-R99 PolarHBondContact O-N 2.95Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-M101 PolarHBondContact O-N 2.81Å; R99-D102 PolarHBondContact O-N 3Å; R99-I103 HydrophobicContact CG-CD1 4.01Å; R99-I103 VanDerWaalsContact O-CG1 3.28Å; R99-I103 WeakPolarHBondContact O-CG1 3.42Å; R99-I103 PolarHBondContact O-N 2.94Å; R99-D121 IonicContact CZ-OD2 3.97Å; R99-D121 IonicContact NE-OD2 2.74Å; R99-D121 PolarHBondContact NE-OD2 3.36Å; R99-D121 IonicContact NH2-OD2 3.45Å; R99-D121 PolarHBondContact NH2-OD2 2.92Å
100	L	89.3	Confident	88.7	Confident	29 Å²	29	75.4 Å²	75.4	15%	0.152	39%	0.386	C	S	.	.	H	α-helix	trans	-65.3	-36.9	-179.7	-169.5	58.2	0	0	0	112.6	M78 F81 A82 L92 L96 R97 K98 K104	M78-L100 HydrophobicContact CB-CD1 4.02Å; M78-L100 HydrophobicContact CB-CG 4.17Å; M78-L100 HydrophobicContact CE-CD1 3.93Å; M78-L100 HydrophobicContact CG-CD1 3.77Å; M78-L100 HydrophobicContact CG-CG 4.45Å; M78-L100 WeakPolarHBondContact O-CD2 3.42Å; M78-L100 HydrophobicContact SD-CD1 4.35Å; F81-L100 HydrophobicContact CB-CD2 3.84Å; A82-L100 HydrophobicContact CB-CB 4.36Å; A82-L100 HydrophobicContact CB-CD2 3.85Å; A82-L100 HydrophobicContact CB-CG 4.2Å; L92-L100 HydrophobicContact CD2-CD2 4.07Å; L96-L100 WeakPolarHBondContact O-CB 2.84Å; L96-L100 PolarHBondContact O-N 3.04Å; R97-L100 PolarHBondContact O-N 2.94Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.43Å; L100-K104 WeakPolarHBondContact O-CB 3.4Å; L100-K104 PolarHBondContact O-N 3.47Å
101	M	92.3	Very high	89.1	Confident	53 Å²	53	75.8 Å²	75.8	26%	0.261	39%	0.393	S	S	.	.	H	α-helix	trans	-71.7	-35.7	175.7	-69.9	-61.1	-59.9	0	0	112.9	A82 R97 K98 R99 K104 T105	A82-M101 HydrophobicContact CB-CG 3.98Å; A82-M101 HydrophobicContact CB-SD 3.72Å; R97-M101 WeakPolarHBondContact O-CG 3.33Å; R97-M101 PolarHBondContact O-N 3.02Å; K98-M101 PolarHBondContact O-N 3.47Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-M101 PolarHBondContact O-N 2.81Å; M101-K104 HydrophobicContact CE-CD 3.98Å; M101-K104 WeakPolarHBondContact O-CB 3.02Å; M101-K104 PolarHBondContact O-N 3.03Å; M101-K104 HydrophobicContact SD-CD 4.13Å; M101-T105 PolarHBondContact O-N 3.45Å; M101-T105 PolarHBondContact O-OG1 3.44Å
102	D	91.9	Very high	89	Confident	81 Å²	81	71 Å²	71	43%	0.433	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-44.6	173.8	-65.9	-19.4	0	0	0	110.2	K98 R99 T105 Q106	K98-D102 VanDerWaalsContact O-CG 3.3Å; K98-D102 PolarHBondContact O-N 3.27Å; R99-D102 PolarHBondContact O-N 3Å; D102-T105 WeakPolarHBondContact O-CB 3.4Å; D102-T105 PolarHBondContact O-N 3.49Å; D102-Q106 PolarHBondContact O-N 3.38Å
103	I	91.3	Very high	89	Confident	6 Å²	6	70 Å²	70	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-44.1	174.8	-62.3	168.1	0	0	0	110.8	M78 R99 T105 Q106 V107 T120 D121 L122	M78-I103 HydrophobicContact CE-CB 4.02Å; M78-I103 HydrophobicContact CE-CG2 3.3Å; M78-I103 HydrophobicContact SD-CG2 4.04Å; R99-I103 HydrophobicContact CG-CD1 4.01Å; R99-I103 VanDerWaalsContact O-CG1 3.28Å; R99-I103 WeakPolarHBondContact O-CG1 3.42Å; R99-I103 PolarHBondContact O-N 2.94Å; I103-T105 PolarHBondContact O-N 3.34Å; I103-Q106 CarbonylContact O-C 3.59Å; I103-Q106 WeakPolarHBondContact O-CA 3.37Å; I103-Q106 WeakPolarHBondContact O-CB 3.4Å; I103-Q106 PolarHBondContact O-N 3.05Å; I103-V107 HydrophobicContact CG2-CG2 4.1Å; I103-V107 WeakPolarHBondContact O-CG2 3.42Å; I103-V107 PolarHBondContact O-N 3.27Å; I103-T120 HydrophobicContact CG2-CG2 4.18Å; I103-D121 WeakPolarHBondContact CD1-OD1 3.43Å; I103-D121 WeakPolarHBondContact CG1-OD1 3.43Å; I103-L122 HydrophobicContact CG2-CB 4.32Å
104	K	92.3	Very high	88.6	Confident	54 Å²	54	67.7 Å²	67.7	24%	0.235	36%	0.359	C	S	.	.	H	α-helix	trans	-52.2	-42.6	175.8	-178.5	-156.9	169.5	-164.9	0	111.3	A75 M78 H79 L100 M101 Q106 V107 A108	A75-K104 HydrophobicContact CB-CG 4.01Å; M78-K104 HydrophobicContact CB-CB 4.06Å; M78-K104 HydrophobicContact CB-CG 4.28Å; M78-K104 HydrophobicContact SD-CB 4.12Å; H79-K104 HydrophobicContact CB-CD 3.93Å; H79-K104 PolarHBondContact ND1-NZ 2.87Å; L100-K104 WeakPolarHBondContact O-CB 3.4Å; L100-K104 PolarHBondContact O-N 3.47Å; M101-K104 HydrophobicContact CE-CD 3.98Å; M101-K104 WeakPolarHBondContact O-CB 3.02Å; M101-K104 PolarHBondContact O-N 3.03Å; M101-K104 HydrophobicContact SD-CD 4.13Å; K104-Q106 VanDerWaalsContact C-N 3.29Å; K104-Q106 PolarHBondContact O-N 3.37Å; K104-V107 PolarHBondContact O-N 3.03Å; K104-A108 PolarHBondContact O-N 3.01Å
105	T	92	Very high	88.4	Confident	88 Å²	88	66.1 Å²	66.1	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-38.5	178.5	-54.9	0	0	0	0	111.5	M101 D102 I103	M101-T105 PolarHBondContact O-N 3.45Å; M101-T105 PolarHBondContact O-OG1 3.44Å; D102-T105 WeakPolarHBondContact O-CB 3.4Å; D102-T105 PolarHBondContact O-N 3.49Å; I103-T105 PolarHBondContact O-N 3.34Å
106	Q	91.5	Very high	88.2	Confident	82 Å²	82	62.5 Å²	62.5	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-68.3	-42.6	173.2	-60.7	171.2	42.9	0	0	112.1	D102 I103 K104 A108 Q109 C110 T120	D102-Q106 PolarHBondContact O-N 3.38Å; I103-Q106 CarbonylContact O-C 3.59Å; I103-Q106 WeakPolarHBondContact O-CA 3.37Å; I103-Q106 WeakPolarHBondContact O-CB 3.4Å; I103-Q106 PolarHBondContact O-N 3.05Å; K104-Q106 VanDerWaalsContact C-N 3.29Å; K104-Q106 PolarHBondContact O-N 3.37Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 2.92Å; Q106-Q109 PolarHBondContact O-N 2.92Å; Q106-Q109 VanDerWaalsContact O-N 3.15Å; Q106-C110 PolarHBondContact O-SG 2.96Å; Q106-T120 HydrophobicContact CB-CG2 3.9Å
107	V	89	Confident	88	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-40	177.9	173.2	0	0	0	0	111.5	A71 I74 A75 M78 I103 K104 Q109 C110 V116 T120	A71-V107 WeakPolarHBondContact O-CG1 3.41Å; I74-V107 HydrophobicContact CB-CG1 4Å; I74-V107 HydrophobicContact CG2-CG1 3.92Å; I74-V107 HydrophobicContact CG2-CG2 4.27Å; A75-V107 HydrophobicContact CB-CB 4.36Å; A75-V107 HydrophobicContact CB-CG1 3.84Å; M78-V107 HydrophobicContact CE-CG2 4.19Å; M78-V107 HydrophobicContact SD-CB 4.4Å; M78-V107 HydrophobicContact SD-CG2 3.76Å; I103-V107 HydrophobicContact CG2-CG2 4.1Å; I103-V107 WeakPolarHBondContact O-CG2 3.42Å; I103-V107 PolarHBondContact O-N 3.27Å; K104-V107 PolarHBondContact O-N 3.03Å; V107-Q109 PolarHBondContact O-N 3.38Å; V107-Q109 VanDerWaalsContact O-N 3.13Å; V107-C110 VanDerWaalsContact O-CB 3.27Å; V107-C110 WeakPolarHBondContact O-CB 3.44Å; V107-C110 PolarHBondContact O-N 3.31Å; V107-V116 HydrophobicContact CB-CG2 4.35Å; V107-V116 HydrophobicContact CG1-CG2 3.79Å; V107-V116 HydrophobicContact CG2-CG1 3.9Å; V107-V116 HydrophobicContact CG2-CG2 4.21Å; V107-T120 HydrophobicContact CG2-CG2 3.83Å
108	A	87.2	Confident	87.6	Confident	50 Å²	50	59 Å²	59	41%	0.413	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.2	178.9	0	0	0	0	0	113.4	K104 Q106	K104-A108 PolarHBondContact O-N 3.01Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 2.92Å
109	Q	89.5	Confident	87.3	Confident	143 Å²	143	57.7 Å²	57.7	67%	0.668	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.8	175.2	-56.2	-58.3	-27.7	0	0	113.4	Q106 V107	Q106-Q109 PolarHBondContact O-N 2.92Å; Q106-Q109 VanDerWaalsContact O-N 3.15Å; V107-Q109 PolarHBondContact O-N 3.38Å; V107-Q109 VanDerWaalsContact O-N 3.13Å
110	C	87.7	Confident	86.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	27%	0.268	C	S	.	.			trans	-86.7	139.5	-179.8	-62.7	0	0	0	0	110.6	A71 Q106 V107 E115 V116	A71-C110 HydrophobicContact CB-CB 4.27Å; Q106-C110 PolarHBondContact O-SG 2.96Å; V107-C110 VanDerWaalsContact O-CB 3.27Å; V107-C110 WeakPolarHBondContact O-CB 3.44Å; V107-C110 PolarHBondContact O-N 3.31Å; C110-E115 HydrophobicContact CB-CB 3.8Å; C110-V116 HydrophobicContact CB-CG2 3.59Å
111	N	85.6	Confident	86.5	Confident	85 Å²	85	53.7 Å²	53.7	46%	0.455	28%	0.279	S	S	.	.	S	Bend	trans	-90.8	-6.1	175.4	-58.1	-62.9	0	0	0	113.4	L67 K68 E115	L67-N111 CarbonylContact C-O 3.58Å; L67-N111 VanDerWaalsContact CB-O 3.29Å; L67-N111 WeakPolarHBondContact CB-O 3.42Å; K68-N111 VanDerWaalsContact CA-O 3.25Å; K68-N111 WeakPolarHBondContact CA-O 3.28Å; K68-N111 PolarHBondContact N-O 2.82Å; N111-E115 WeakPolarHBondContact CB-OE1 3.06Å; N111-E115 PolarHBondContact N-OE2 3.25Å; N111-E115 PolarHBondContact ND2-OE1 3.44Å
112	S	80.3	Confident	85.8	Confident	12 Å²	12	53.6 Å²	53.6	8%	0.084	28%	0.279	C	S	.	.	S	Bend	trans	-158.5	167.4	-178.9	86.6	0	0	0	0	112.4	E114 E115 V116	S112-E114 VanDerWaalsContact C-N 3.29Å; S112-E114 WeakPolarHBondContact CB-OE2 3.2Å; S112-E114 PolarHBondContact OG-N 3.28Å; S112-E114 PolarHBondContact OG-OE2 3.48Å; S112-E115 PolarHBondContact O-N 3.15Å; S112-E115 PolarHBondContact OG-N 3.36Å; S112-E115 VanDerWaalsContact OG-N 3.15Å; S112-V116 WeakPolarHBondContact O-CG2 3.48Å; S112-V116 PolarHBondContact O-N 3.18Å; S112-V116 VanDerWaalsContact O-N 3.14Å
113	C	81.9	Confident	84.8	Confident	33 Å²	33	53.6 Å²	53.6	22%	0.223	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-32.7	173.3	-74.9	0	0	0	0	112.6	N70 I74 E115 V116 L117	N70-C113 WeakPolarHBondContact CB-SG 3.26Å; I74-C113 VanDerWaalsContact CD1-SG 3.56Å; C113-E115 VanDerWaalsContact C-N 3.34Å; C113-V116 WeakPolarHBondContact O-CB 3.48Å; C113-V116 PolarHBondContact O-N 2.66Å; C113-L117 WeakPolarHBondContact O-CD1 3.43Å; C113-L117 WeakPolarHBondContact O-CG 3.34Å; C113-L117 PolarHBondContact O-N 2.66Å
114	E	79.8	Confident	83.4	Confident	78 Å²	78	59.7 Å²	59.7	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.9	-58.7	77.8	-173.9	0	0	110.1	S112 V116 L117 I118	S112-E114 VanDerWaalsContact C-N 3.29Å; S112-E114 WeakPolarHBondContact CB-OE2 3.2Å; S112-E114 PolarHBondContact OG-N 3.28Å; S112-E114 PolarHBondContact OG-OE2 3.48Å; E114-V116 VanDerWaalsContact C-N 3.32Å; E114-V116 PolarHBondContact O-N 2.9Å; E114-L117 PolarHBondContact O-N 3.14Å; E114-I118 WeakPolarHBondContact O-CD1 3.35Å; E114-I118 VanDerWaalsContact O-CG1 3.25Å; E114-I118 WeakPolarHBondContact O-CG1 3.26Å; E114-I118 PolarHBondContact O-N 2.87Å
115	E	86	Confident	82	Confident	49 Å²	49	59.8 Å²	59.8	23%	0.229	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-41.3	172.2	-78.9	-165	-146	0	0	111.9	C110 N111 S112 C113 L117 I118 K119	C110-E115 HydrophobicContact CB-CB 3.8Å; N111-E115 WeakPolarHBondContact CB-OE1 3.06Å; N111-E115 PolarHBondContact N-OE2 3.25Å; N111-E115 PolarHBondContact ND2-OE1 3.44Å; S112-E115 PolarHBondContact O-N 3.15Å; S112-E115 PolarHBondContact OG-N 3.36Å; S112-E115 VanDerWaalsContact OG-N 3.15Å; C113-E115 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.31Å; E115-I118 PolarHBondContact O-N 2.95Å; E115-K119 VanDerWaalsContact O-CB 3.26Å; E115-K119 WeakPolarHBondContact O-CB 3.28Å; E115-K119 WeakPolarHBondContact O-CG 2.71Å; E115-K119 PolarHBondContact O-N 3.29Å; E115-K119 IonicContact OE2-NZ 3.56Å; E115-K119 PolarHBondContact OE2-NZ 3.31Å
116	V	86.3	Confident	80.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-47.3	175.8	171.6	0	0	0	0	111	A71 I74 V107 C110 S112 C113 E114 I118 T120	A71-V116 HydrophobicContact CB-CG2 4.08Å; I74-V116 HydrophobicContact CD1-CG1 4.27Å; I74-V116 HydrophobicContact CD1-CG2 4.41Å; V107-V116 HydrophobicContact CB-CG2 4.35Å; V107-V116 HydrophobicContact CG1-CG2 3.79Å; V107-V116 HydrophobicContact CG2-CG1 3.9Å; V107-V116 HydrophobicContact CG2-CG2 4.21Å; C110-V116 HydrophobicContact CB-CG2 3.59Å; S112-V116 WeakPolarHBondContact O-CG2 3.48Å; S112-V116 PolarHBondContact O-N 3.18Å; S112-V116 VanDerWaalsContact O-N 3.14Å; C113-V116 WeakPolarHBondContact O-CB 3.48Å; C113-V116 PolarHBondContact O-N 2.66Å; E114-V116 VanDerWaalsContact C-N 3.32Å; E114-V116 PolarHBondContact O-N 2.9Å; V116-I118 VanDerWaalsContact C-N 3.29Å; V116-I118 PolarHBondContact O-N 3.2Å; V116-T120 HydrophobicContact CG1-CG2 4.24Å; V116-T120 WeakPolarHBondContact O-CB 3.39Å; V116-T120 WeakPolarHBondContact O-CG2 3.45Å; V116-T120 PolarHBondContact O-N 3.34Å; V116-T120 PolarHBondContact O-OG1 3.29Å
117	L	82.1	Confident	79.7	Confident	35 Å²	35	58.6 Å²	58.6	18%	0.183	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-38.5	179.7	-75.2	157.8	0	0	0	112	C113 E114 E115 F123 Y129	C113-L117 WeakPolarHBondContact O-CD1 3.43Å; C113-L117 WeakPolarHBondContact O-CG 3.34Å; C113-L117 PolarHBondContact O-N 2.66Å; E114-L117 PolarHBondContact O-N 3.14Å; E115-L117 PolarHBondContact O-N 3.31Å; L117-F123 HydrophobicContact CD2-CB 4.41Å; L117-F123 HydrophobicContact CD2-CD2 3.26Å; L117-F123 HydrophobicContact CD2-CE2 3.49Å; L117-F123 VanDerWaalsContact CD2-CE2 3.49Å; L117-F123 HydrophobicContact CD2-CG 3.86Å; L117-F123 HydrophobicContact CD2-CZ 4.29Å; L117-F123 HydrophobicContact CG-CD2 4.21Å; L117-F123 HydrophobicContact CG-CE2 4.15Å; L117-Y129 HydrophobicContact CB-CD1 4.27Å; L117-Y129 HydrophobicContact CB-CE1 4.17Å; L117-Y129 HydrophobicContact CD1-CD1 4.11Å; L117-Y129 HydrophobicContact CD1-CE1 3.47Å; L117-Y129 VanDerWaalsContact CD1-CE1 3.47Å; L117-Y129 HydrophobicContact CD1-CE2 4.4Å; L117-Y129 HydrophobicContact CD2-CD1 4.49Å; L117-Y129 HydrophobicContact CG-CE1 4.29Å
118	I	81.4	Confident	78.8	Confident	90 Å²	90	64.3 Å²	64.3	46%	0.462	34%	0.344	S	S	.	.	H	α-helix	trans	-75.6	-53.9	179.8	-66.4	165.9	0	0	0	110.7	E114 E115 V116 K126 L130	E114-I118 WeakPolarHBondContact O-CD1 3.35Å; E114-I118 VanDerWaalsContact O-CG1 3.25Å; E114-I118 WeakPolarHBondContact O-CG1 3.26Å; E114-I118 PolarHBondContact O-N 2.87Å; E115-I118 PolarHBondContact O-N 2.95Å; V116-I118 VanDerWaalsContact C-N 3.29Å; V116-I118 PolarHBondContact O-N 3.2Å; I118-K126 PolarHBondContact O-NZ 3.42Å; I118-L130 HydrophobicContact CD1-CD2 4.49Å; I118-L130 HydrophobicContact CG1-CD2 4.06Å
119	K	84.6	Confident	77.8	Confident	117 Å²	117	65.3 Å²	65.3	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-77.1	-34.3	-168.7	-69.4	177.6	173.4	171.1	0	112.8	E115	E115-K119 VanDerWaalsContact O-CB 3.26Å; E115-K119 WeakPolarHBondContact O-CB 3.28Å; E115-K119 WeakPolarHBondContact O-CG 2.71Å; E115-K119 PolarHBondContact O-N 3.29Å; E115-K119 IonicContact OE2-NZ 3.56Å; E115-K119 PolarHBondContact OE2-NZ 3.31Å
120	T	83.3	Confident	76.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.			trans	-102.8	141.1	-170.6	75.1	0	0	0	0	112.9	I103 Q106 V107 V116 L122 K126	I103-T120 HydrophobicContact CG2-CG2 4.18Å; Q106-T120 HydrophobicContact CB-CG2 3.9Å; V107-T120 HydrophobicContact CG2-CG2 3.83Å; V116-T120 HydrophobicContact CG1-CG2 4.24Å; V116-T120 WeakPolarHBondContact O-CB 3.39Å; V116-T120 WeakPolarHBondContact O-CG2 3.45Å; V116-T120 PolarHBondContact O-N 3.34Å; V116-T120 PolarHBondContact O-OG1 3.29Å; T120-L122 PolarHBondContact O-N 3.13Å; T120-L122 WeakPolarHBondContact OG1-CB 3.46Å; T120-K126 VanDerWaalsContact C-CE 3.41Å; T120-K126 WeakPolarHBondContact O-CE 3.15Å; T120-K126 PolarHBondContact O-NZ 2.91Å
121	D	81.5	Confident	75.9	Confident	70 Å²	70	69.5 Å²	69.5	37%	0.374	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	19.1	173.6	72.8	-43.4	0	0	0	113.5	R99 I103 F123	R99-D121 IonicContact CZ-OD2 3.97Å; R99-D121 IonicContact NE-OD2 2.74Å; R99-D121 PolarHBondContact NE-OD2 3.36Å; R99-D121 IonicContact NH2-OD2 3.45Å; R99-D121 PolarHBondContact NH2-OD2 2.92Å; I103-D121 WeakPolarHBondContact CD1-OD1 3.43Å; I103-D121 WeakPolarHBondContact CG1-OD1 3.43Å; D121-F123 PolarHBondContact O-N 3.21Å
122	L	76.9	Confident	75.1	Confident	51 Å²	51	69.8 Å²	69.8	27%	0.267	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.3	-177.9	-175.3	58.7	0	0	0	112.2	I74 M78 I103 T120	I74-L122 HydrophobicContact CG2-CD2 4.25Å; M78-L122 HydrophobicContact CE-CB 4.41Å; M78-L122 HydrophobicContact CE-CD1 3.3Å; M78-L122 HydrophobicContact CE-CD2 3.37Å; M78-L122 HydrophobicContact CE-CG 3.85Å; I103-L122 HydrophobicContact CG2-CB 4.32Å; T120-L122 PolarHBondContact O-N 3.13Å; T120-L122 WeakPolarHBondContact OG1-CB 3.46Å
123	F	71.3	Confident	74.5	Confident	81 Å²	81	72.5 Å²	72.5	36%	0.355	36%	0.363	S	S	.	.			trans	-113.3	124	-176.5	-55.9	-77.9	0	0	0	110.5	L117 D121 S125	L117-F123 HydrophobicContact CD2-CB 4.41Å; L117-F123 HydrophobicContact CD2-CD2 3.26Å; L117-F123 HydrophobicContact CD2-CE2 3.49Å; L117-F123 VanDerWaalsContact CD2-CE2 3.49Å; L117-F123 HydrophobicContact CD2-CG 3.86Å; L117-F123 HydrophobicContact CD2-CZ 4.29Å; L117-F123 HydrophobicContact CG-CD2 4.21Å; L117-F123 HydrophobicContact CG-CE2 4.15Å; D121-F123 PolarHBondContact O-N 3.21Å; F123-S125 PolarHBondContact O-N 3.5Å; F123-S125 VanDerWaalsContact O-N 3.11Å
124	P	61.9	Low	73.7	Confident	134 Å²	134	75.4 Å²	75.4	87%	0.87	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.1	-178.5	23.9	-32.1	0	0	0	113
125	S	62.9	Low	73.4	Confident	57 Å²	57	74.8 Å²	74.8	40%	0.399	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	34	-170.7	65.7	0	0	0	0	114	F123 S127 K128 Y129	F123-S125 PolarHBondContact O-N 3.5Å; F123-S125 VanDerWaalsContact O-N 3.11Å; S125-S127 PolarHBondContact O-N 3.22Å; S125-S127 VanDerWaalsContact O-N 3.17Å; S125-K128 PolarHBondContact O-N 3.43Å; S125-K128 VanDerWaalsContact O-N 3.09Å; S125-Y129 PolarHBondContact O-N 3.08Å
126	K	68.1	Low	72.8	Confident	64 Å²	64	79.2 Å²	79.2	28%	0.278	40%	0.402	S	S	.	.	H	α-helix	trans	-46.5	-47.1	175.8	-66.8	-169	177.1	-167.4	0	111.9	I118 T120 Y129 L130	I118-K126 PolarHBondContact O-NZ 3.42Å; T120-K126 VanDerWaalsContact C-CE 3.41Å; T120-K126 WeakPolarHBondContact O-CE 3.15Å; T120-K126 PolarHBondContact O-NZ 2.91Å; K126-Y129 PolarHBondContact O-N 2.95Å; K126-L130 VanDerWaalsContact O-CB 3.28Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 WeakPolarHBondContact O-CG 3.28Å; K126-L130 PolarHBondContact O-N 3.41Å
127	S	67	Low	72.1	Confident	80 Å²	80	81.8 Å²	81.8	56%	0.559	42%	0.424	S	S	*	.	H	α-helix	trans	-65.6	-40.1	-177.5	55.8	0	0	0	0	113.1	S125 R131	S125-S127 PolarHBondContact O-N 3.22Å; S125-S127 VanDerWaalsContact O-N 3.17Å; S127-R131 VanDerWaalsContact O-CB 3.28Å; S127-R131 WeakPolarHBondContact O-CB 3.27Å; S127-R131 PolarHBondContact O-N 3.15Å
128	K	68.8	Low	71.4	Confident	120 Å²	120	87.4 Å²	87.4	52%	0.522	45%	0.454	S	S	.	.	H	α-helix	trans	-67	-48.4	177.2	-176.9	178.9	171.5	180	0	110.9	S125 L130 R131 E132	S125-K128 PolarHBondContact O-N 3.43Å; S125-K128 VanDerWaalsContact O-N 3.09Å; K128-L130 PolarHBondContact O-N 3.27Å; K128-R131 WeakPolarHBondContact O-CB 3.43Å; K128-R131 PolarHBondContact O-N 2.98Å; K128-E132 WeakPolarHBondContact CE-OE1 3.27Å; K128-E132 IonicContact NZ-OE1 3.67Å; K128-E132 WeakPolarHBondContact O-CG 3.47Å; K128-E132 PolarHBondContact O-N 2.77Å
129	Y	65.9	Low	70.1	Confident	71 Å²	71	88.2 Å²	88.2	28%	0.278	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-43.9	179.7	179.8	-104.2	0	0	0	111.9	L117 S125 K126 R131 E132 L133	L117-Y129 HydrophobicContact CB-CD1 4.27Å; L117-Y129 HydrophobicContact CB-CE1 4.17Å; L117-Y129 HydrophobicContact CD1-CD1 4.11Å; L117-Y129 HydrophobicContact CD1-CE1 3.47Å; L117-Y129 VanDerWaalsContact CD1-CE1 3.47Å; L117-Y129 HydrophobicContact CD1-CE2 4.4Å; L117-Y129 HydrophobicContact CD2-CD1 4.49Å; L117-Y129 HydrophobicContact CG-CE1 4.29Å; S125-Y129 PolarHBondContact O-N 3.08Å; K126-Y129 PolarHBondContact O-N 2.95Å; Y129-R131 VanDerWaalsContact C-N 3.28Å; Y129-R131 PolarHBondContact O-N 2.71Å; Y129-E132 PolarHBondContact O-N 2.96Å; Y129-L133 HydrophobicContact CD1-CD1 3.79Å; Y129-L133 HydrophobicContact CE1-CD1 3.12Å; Y129-L133 HydrophobicContact CE1-CG 4.01Å; Y129-L133 HydrophobicContact CE2-CD1 4.43Å; Y129-L133 WeakPolarHBondContact O-CB 3.25Å; Y129-L133 PolarHBondContact O-N 3.24Å
130	L	67.5	Low	68.7	Low	55 Å²	55	87.8 Å²	87.8	29%	0.288	47%	0.468	S	S	.	.	H	α-helix	trans	-61.7	-36.2	174.8	-75	173.8	0	0	0	112.6	I118 K126 K128 R134	I118-L130 HydrophobicContact CD1-CD2 4.49Å; I118-L130 HydrophobicContact CG1-CD2 4.06Å; K126-L130 VanDerWaalsContact O-CB 3.28Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 WeakPolarHBondContact O-CG 3.28Å; K126-L130 PolarHBondContact O-N 3.41Å; K128-L130 PolarHBondContact O-N 3.27Å; L130-R134 WeakPolarHBondContact O-CB 3.29Å; L130-R134 VanDerWaalsContact O-CG 3.26Å; L130-R134 WeakPolarHBondContact O-CG 3.21Å; L130-R134 PolarHBondContact O-N 3.42Å
131	R	70.1	Confident	67.4	Low	178 Å²	178	92.5 Å²	92.5	67%	0.672	50%	0.501	S	S	*	.	H	α-helix	trans	-65.9	-44.4	175.4	-169.7	-174.3	-59.1	162.4	0.2	111.4	S127 K128 Y129 R134 A135	S127-R131 VanDerWaalsContact O-CB 3.28Å; S127-R131 WeakPolarHBondContact O-CB 3.27Å; S127-R131 PolarHBondContact O-N 3.15Å; K128-R131 WeakPolarHBondContact O-CB 3.43Å; K128-R131 PolarHBondContact O-N 2.98Å; Y129-R131 VanDerWaalsContact C-N 3.28Å; Y129-R131 PolarHBondContact O-N 2.71Å; R131-R134 PolarHBondContact O-N 2.88Å; R131-A135 WeakPolarHBondContact O-CB 3.25Å; R131-A135 PolarHBondContact O-N 3Å
132	E	70.5	Confident	66	Low	91 Å²	91	93.7 Å²	93.7	43%	0.425	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-43	177.7	-71.8	169.9	-175.7	0	0	111.9	K128 Y129 R134 A135 N136	K128-E132 WeakPolarHBondContact CE-OE1 3.27Å; K128-E132 IonicContact NZ-OE1 3.67Å; K128-E132 WeakPolarHBondContact O-CG 3.47Å; K128-E132 PolarHBondContact O-N 2.77Å; Y129-E132 PolarHBondContact O-N 2.96Å; E132-R134 PolarHBondContact O-N 3.14Å; E132-A135 PolarHBondContact O-N 3.24Å; E132-N136 WeakPolarHBondContact O-CB 3.16Å; E132-N136 VanDerWaalsContact O-CG 3.24Å; E132-N136 PolarHBondContact O-N 3.48Å; E132-N136 PolarHBondContact O-ND2 3.41Å
133	L	67.1	Low	64.2	Low	69 Å²	69	96.7 Å²	96.7	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-58	-47.3	173.3	-100.2	170.5	0	0	0	112	Y129 N136 A137	Y129-L133 HydrophobicContact CD1-CD1 3.79Å; Y129-L133 HydrophobicContact CE1-CD1 3.12Å; Y129-L133 HydrophobicContact CE1-CG 4.01Å; Y129-L133 HydrophobicContact CE2-CD1 4.43Å; Y129-L133 WeakPolarHBondContact O-CB 3.25Å; Y129-L133 PolarHBondContact O-N 3.24Å; L133-N136 PolarHBondContact O-N 3.39Å; L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.11Å
134	R	65.4	Low	62.5	Low	94 Å²	94	105.4 Å²	105.4	36%	0.355	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-43.1	178.6	-75.8	176.1	-178.3	175.7	-2.5	111.9	L130 R131 E132 N136 A137 N138 L139 T142	L130-R134 WeakPolarHBondContact O-CB 3.29Å; L130-R134 VanDerWaalsContact O-CG 3.26Å; L130-R134 WeakPolarHBondContact O-CG 3.21Å; L130-R134 PolarHBondContact O-N 3.42Å; R131-R134 PolarHBondContact O-N 2.88Å; E132-R134 PolarHBondContact O-N 3.14Å; R134-N136 VanDerWaalsContact C-N 3.34Å; R134-N136 PolarHBondContact O-N 3.31Å; R134-A137 PolarHBondContact O-N 3.1Å; R134-N138 PolarHBondContact O-N 3.23Å; R134-L139 HydrophobicContact CB-CB 4.37Å; R134-L139 HydrophobicContact CG-CB 4.38Å; R134-L139 PolarHBondContact O-N 2.79Å; R134-T142 PolarHBondContact NH1-OG1 2.74Å; R134-T142 VanDerWaalsContact NH1-OG1 3.1Å; R134-T142 PolarHBondContact NH2-OG1 3.33Å
135	A	73.1	Confident	62.6	Low	65 Å²	65	104 Å²	104	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-60.2	-44.3	176.7	0	0	0	0	0	111.5	R131 E132 A137 N138	R131-A135 WeakPolarHBondContact O-CB 3.25Å; R131-A135 PolarHBondContact O-N 3Å; E132-A135 PolarHBondContact O-N 3.24Å; A135-A137 VanDerWaalsContact C-N 3.31Å; A135-A137 PolarHBondContact O-N 3.07Å; A135-N138 PolarHBondContact O-N 3.06Å
136	N	73.1	Confident	62.5	Low	141 Å²	141	106.5 Å²	106.5	75%	0.754	57%	0.57	S	S	*	*	H	α-helix	trans	-70.6	-26.8	179.1	-68.3	-18.3	0	0	0	113.2	E132 L133 R134	E132-N136 WeakPolarHBondContact O-CB 3.16Å; E132-N136 VanDerWaalsContact O-CG 3.24Å; E132-N136 PolarHBondContact O-N 3.48Å; E132-N136 PolarHBondContact O-ND2 3.41Å; L133-N136 PolarHBondContact O-N 3.39Å; R134-N136 VanDerWaalsContact C-N 3.34Å; R134-N136 PolarHBondContact O-N 3.31Å
137	A	70.7	Confident	62.2	Low	55 Å²	55	108.8 Å²	108.8	46%	0.455	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	4.4	-179.6	0	0	0	0	0	114.2	L133 R134 A135 L139	L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.11Å; R134-A137 PolarHBondContact O-N 3.1Å; A135-A137 VanDerWaalsContact C-N 3.31Å; A135-A137 PolarHBondContact O-N 3.07Å; A137-L139 HydrophobicContact CB-CD1 3.74Å; A137-L139 HydrophobicContact CB-CG 3.79Å; A137-L139 PolarHBondContact O-N 3.33Å
138	N	67.6	Low	62	Low	153 Å²	153	110.5 Å²	110.5	82%	0.818	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	52	31.2	-171.3	-67.1	-40.9	0	0	0	113.5	R134 A135	R134-N138 PolarHBondContact O-N 3.23Å; A135-N138 PolarHBondContact O-N 3.06Å
139	L	54.3	Low	61.5	Low	106 Å²	106	109.9 Å²	109.9	56%	0.555	59%	0.592	S	S	*	*			trans	-87.8	134.6	179.9	-69.3	170.9	0	0	0	110	R134 A137 S141	R134-L139 HydrophobicContact CB-CB 4.37Å; R134-L139 HydrophobicContact CG-CB 4.38Å; R134-L139 PolarHBondContact O-N 2.79Å; A137-L139 HydrophobicContact CB-CD1 3.74Å; A137-L139 HydrophobicContact CB-CG 3.79Å; A137-L139 PolarHBondContact O-N 3.33Å; L139-S141 PolarHBondContact O-N 3.18Å
140	P	55.1	Low	61.2	Low	108 Å²	108	112.5 Å²	112.5	70%	0.701	61%	0.613	S	S	*	*			trans	-59.1	136.5	178.9	13.6	-19.5	0	0	0	111.2	T142	P140-T142 PolarHBondContact O-N 3.17Å; P140-T142 VanDerWaalsContact O-N 3.11Å
141	S	56.9	Low	60.8	Low	99 Å²	99	116.6 Å²	116.6	69%	0.692	64%	0.636	S	S	*	*			trans	-64.9	109	173.9	50.7	0	0	0	0	109.6	L139 C143	L139-S141 PolarHBondContact O-N 3.18Å; S141-C143 PolarHBondContact O-N 2.94Å
142	T	52.6	Low	60.1	Low	96 Å²	96	111.9 Å²	111.9	59%	0.589	63%	0.633	S	S	*	*			trans	-75.4	114.5	171	53.9	0	0	0	0	109.7	R134 P140	R134-T142 PolarHBondContact NH1-OG1 2.74Å; R134-T142 VanDerWaalsContact NH1-OG1 3.1Å; R134-T142 PolarHBondContact NH2-OG1 3.33Å; P140-T142 PolarHBondContact O-N 3.17Å; P140-T142 VanDerWaalsContact O-N 3.11Å
143	C	38.6	Very low	59.2	Low	113 Å²	113	113.7 Å²	113.7	76%	0.764	65%	0.651	S	S	*	*			trans	-83.6	112.4	167.3	-66.9	0	0	0	0	108.8	S141	S141-C143 PolarHBondContact O-N 2.94Å
144	H	36	Very low	58.5	Low	265 Å²	265	117.7 Å²	117.7	100%	1.227	68%	0.677	S	S	*	*			trans	-144.6	0	151.3	-84.4	-57.1	0	0	0	108

Retrieved 144 of 144 residues in 63.6 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).