A0A077YWT8_TRITR Loading...

Fcf2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	67.2	Low	239 Å²	239	148.2 Å²	148.2	100%	1.177	78%	0.78	S	S	*	*				0	105.9	0	-63.4	-178.8	-172	0	0	109.2	K3	M1-K3 PolarHBondContact O-N 2.61Å
2	K	56.7	Low	67.2	Low	219 Å²	219	151.2 Å²	151.2	95%	0.952	78%	0.782	S	S	*	*			trans	-76	103.3	170.8	-78.5	-175.5	177.1	179	0	107.7
3	K	62.8	Low	66.9	Low	194 Å²	194	148.6 Å²	148.6	84%	0.843	78%	0.777	S	S	*	*			trans	-55.3	134.9	177.3	-84.1	174.4	170.9	176.2	0	109.6	M1 V5	M1-K3 PolarHBondContact O-N 2.61Å; K3-V5 PolarHBondContact O-N 2.91Å
4	A	66.8	Low	66.4	Low	92 Å²	92	141.9 Å²	141.9	76%	0.76	75%	0.754	S	S	*	*			trans	-47.5	121.6	-174.5	0	0	0	0	0	112.2	V6	A4-V6 PolarHBondContact O-N 3.13Å
5	V	72.3	Confident	66.3	Low	128 Å²	128	140.3 Å²	140.3	78%	0.776	75%	0.751	S	S	*	*			trans	-81.3	76.3	176.7	-174.5	0	0	0	0	107.9	K3 K7	K3-V5 PolarHBondContact O-N 2.91Å; V5-K7 HydrophobicContact CG1-CG 4.37Å; V5-K7 PolarHBondContact O-N 3.45Å
6	V	72.2	Confident	66.4	Low	110 Å²	110	141.1 Å²	141.1	67%	0.667	75%	0.754	S	S	*	*			trans	-65.8	104.3	161.4	-178.7	0	0	0	0	105.6	A4 F10	A4-V6 PolarHBondContact O-N 3.13Å; V6-F10 HydrophobicContact CG1-CB 4.08Å
7	K	75.1	Confident	66.8	Low	160 Å²	160	144.1 Å²	144.1	70%	0.696	76%	0.759	S	S	*	*			trans	-60.4	132.1	-180	-69.5	-178.8	179.5	176.5	0	108.8	V5 G9 F10	V5-K7 HydrophobicContact CG1-CG 4.37Å; V5-K7 PolarHBondContact O-N 3.45Å; K7-G9 PolarHBondContact O-N 3.06Å; K7-G9 VanDerWaalsContact O-N 3.09Å; K7-F10 PolarHBondContact O-N 3.18Å; K7-F10 VanDerWaalsContact O-N 3.07Å
8	P	73.5	Confident	67.4	Low	140 Å²	140	142.6 Å²	142.6	91%	0.909	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	118.7	175.2	20.3	-27.4	0	0	0	108.9
9	G	68.8	Low	68.1	Low	38 Å²	38	143.5 Å²	143.5	39%	0.392	76%	0.759	S	S	.	*	T	Hydrogen-bonded Turn	trans	109.1	1.5	-173.8	0	0	0	0	0	116.3	K7 E11 K12 T13	K7-G9 PolarHBondContact O-N 3.06Å; K7-G9 VanDerWaalsContact O-N 3.09Å; G9-E11 PolarHBondContact O-N 2.92Å; G9-K12 PolarHBondContact O-N 3.38Å; G9-K12 VanDerWaalsContact O-N 3.08Å; G9-T13 PolarHBondContact O-N 3Å; G9-T13 PolarHBondContact O-OG1 3.4Å
10	F	69.8	Low	68.9	Low	135 Å²	135	143.1 Å²	143.1	59%	0.592	75%	0.75	S	S	*	*	H	α-helix	trans	-50.1	-42.2	173	174	-103.6	0	0	0	112.6	V6 K7 K12 T13	V6-F10 HydrophobicContact CG1-CB 4.08Å; K7-F10 PolarHBondContact O-N 3.18Å; K7-F10 VanDerWaalsContact O-N 3.07Å; F10-K12 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 3Å; F10-T13 WeakPolarHBondContact O-CB 3.17Å; F10-T13 PolarHBondContact O-N 3.39Å; F10-T13 PolarHBondContact O-OG1 3.05Å
11	E	67.6	Low	69.9	Low	175 Å²	175	139.3 Å²	139.3	82%	0.818	74%	0.735	S	S	*	*	H	α-helix	trans	-58.5	-38.8	179.1	-62	177.3	179.4	0	0	113.1	G9 T13	G9-E11 PolarHBondContact O-N 2.92Å; E11-T13 VanDerWaalsContact C-N 3.27Å; E11-T13 PolarHBondContact O-N 3.1Å
12	K	67.8	Low	71.8	Confident	184 Å²	184	137.2 Å²	137.2	80%	0.8	72%	0.72	S	S	*	*	H	α-helix	trans	-73.2	-21.5	179.1	-64.5	-174.5	-179.4	-178.2	0	112.7	G9 F10	G9-K12 PolarHBondContact O-N 3.38Å; G9-K12 VanDerWaalsContact O-N 3.08Å; F10-K12 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 3Å
13	T	63.2	Low	73.5	Confident	118 Å²	118	131.9 Å²	131.9	72%	0.724	71%	0.706	S	S	*	*	H	α-helix	trans	-80.4	-25.5	-174.8	-37.9	0	0	0	0	111.5	G9 F10 E11 V15	G9-T13 PolarHBondContact O-N 3Å; G9-T13 PolarHBondContact O-OG1 3.4Å; F10-T13 WeakPolarHBondContact O-CB 3.17Å; F10-T13 PolarHBondContact O-N 3.39Å; F10-T13 PolarHBondContact O-OG1 3.05Å; E11-T13 VanDerWaalsContact C-N 3.27Å; E11-T13 PolarHBondContact O-N 3.1Å; T13-V15 PolarHBondContact O-N 3.42Å
14	A	60.2	Low	75	Confident	54 Å²	54	124.3 Å²	124.3	45%	0.446	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	30.4	-171.9	0	0	0	0	0	113.9	L16	A14-L16 PolarHBondContact O-N 3.19Å
15	V	65.1	Low	76.2	Confident	118 Å²	118	123.7 Å²	123.7	72%	0.715	66%	0.659	S	S	*	*			trans	-69.6	79.9	157.4	-168.4	0	0	0	0	106.3	T13 K17	T13-V15 PolarHBondContact O-N 3.42Å; V15-K17 PolarHBondContact O-N 3.08Å
16	L	68.1	Low	77.3	Confident	153 Å²	153	125.4 Å²	125.4	80%	0.801	66%	0.656	S	S	*	*			trans	-50.7	108.9	172.6	-68.5	170.8	0	0	0	105.9	A14 P18	A14-L16 PolarHBondContact O-N 3.19Å; L16-P18 WeakPolarHBondContact O-CD 3.28Å
17	K	73.3	Confident	78.4	Confident	193 Å²	193	125.9 Å²	125.9	84%	0.839	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-55.1	122	175.3	-68.5	-179.6	-177.7	176.3	0	105.9	V15 E19	V15-K17 PolarHBondContact O-N 3.08Å; K17-E19 PolarHBondContact O-N 3.28Å
18	P	77	Confident	79.3	Confident	116 Å²	116	119.9 Å²	119.9	75%	0.753	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-55.2	134.4	-174.8	20.1	-31.7	0	0	0	109.1	L16 K20	L16-P18 WeakPolarHBondContact O-CD 3.28Å; P18-K20 PolarHBondContact O-N 2.9Å
19	E	80.6	Confident	80.3	Confident	161 Å²	161	121.4 Å²	121.4	75%	0.752	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-60.9	118.1	-179	-161.7	-169.2	165	0	0	108.5	K17 S21 K25	K17-E19 PolarHBondContact O-N 3.28Å; E19-S21 PolarHBondContact O-N 2.75Å; E19-K25 IonicContact OE1-NZ 2.61Å; E19-K25 PolarHBondContact OE1-NZ 3.25Å
20	K	84.2	Confident	81.5	Confident	135 Å²	135	125.5 Å²	125.5	59%	0.587	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-58.5	136.4	179.3	-69.1	-176.2	-179.6	-177.4	0	109.5	P18 A24 K25	P18-K20 PolarHBondContact O-N 2.9Å; K20-A24 HydrophobicContact CB-CB 4.09Å; K20-K25 HydrophobicContact CB-CG 3.82Å; K20-K25 WeakPolarHBondContact O-CE 3.34Å
21	S	89.6	Confident	82.6	Confident	63 Å²	63	124 Å²	124	44%	0.441	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-54.6	156.1	173.5	69.7	0	0	0	0	111.8	E19 T23 A24 K25	E19-S21 PolarHBondContact O-N 2.75Å; S21-T23 PolarHBondContact O-N 3.05Å; S21-T23 PolarHBondContact OG-OG1 3.44Å; S21-A24 PolarHBondContact O-N 2.99Å; S21-A24 VanDerWaalsContact OG-CB 3.28Å; S21-A24 WeakPolarHBondContact OG-CB 3.4Å; S21-A24 PolarHBondContact OG-N 3.03Å; S21-A24 VanDerWaalsContact OG-N 3.13Å; S21-K25 PolarHBondContact O-N 2.95Å
22	K	92.4	Very high	83.7	Confident	196 Å²	196	120.7 Å²	120.7	85%	0.852	61%	0.612	S	S	*	*	H	α-helix	trans	-53.2	-39.1	177.5	-66.6	-176.6	-178	177.4	0	111.8	K26	K22-K26 PolarHBondContact O-N 3.17Å; K22-K26 VanDerWaalsContact O-N 3.08Å
23	T	93.6	Very high	84.9	Confident	107 Å²	107	121.1 Å²	121.1	66%	0.656	61%	0.608	S	S	*	*	H	α-helix	trans	-68.1	-44.5	176.9	50.9	0	0	0	0	112.1	S21 K25 K26 L27	S21-T23 PolarHBondContact O-N 3.05Å; S21-T23 PolarHBondContact OG-OG1 3.44Å; T23-K25 PolarHBondContact O-N 3.19Å; T23-K26 PolarHBondContact O-N 3.39Å; T23-L27 PolarHBondContact O-N 3.32Å
24	A	93	Very high	86.2	Confident	35 Å²	35	119.2 Å²	119.2	29%	0.289	59%	0.591	S	S	.	*	H	α-helix	trans	-62.9	-39.7	176.5	0	0	0	0	0	112.3	K20 S21 L27 A28	K20-A24 HydrophobicContact CB-CB 4.09Å; S21-A24 PolarHBondContact O-N 2.99Å; S21-A24 VanDerWaalsContact OG-CB 3.28Å; S21-A24 WeakPolarHBondContact OG-CB 3.4Å; S21-A24 PolarHBondContact OG-N 3.03Å; S21-A24 VanDerWaalsContact OG-N 3.13Å; A24-L27 PolarHBondContact O-N 3.16Å; A24-A28 WeakPolarHBondContact O-CB 3.16Å; A24-A28 PolarHBondContact O-N 2.9Å
25	K	93.7	Very high	87.7	Confident	78 Å²	78	121.5 Å²	121.5	34%	0.339	59%	0.591	S	S	.	*	H	α-helix	trans	-62.9	-41.8	173.3	-69.6	178.7	179.7	172.3	0	111.7	E19 K20 S21 T23 R29	E19-K25 IonicContact OE1-NZ 2.61Å; E19-K25 PolarHBondContact OE1-NZ 3.25Å; K20-K25 HydrophobicContact CB-CG 3.82Å; K20-K25 WeakPolarHBondContact O-CE 3.34Å; S21-K25 PolarHBondContact O-N 2.95Å; T23-K25 PolarHBondContact O-N 3.19Å; K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 3.4Å
26	K	95.1	Very high	89.1	Confident	165 Å²	165	118.2 Å²	118.2	72%	0.717	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-43.4	176.8	-173.9	177.9	179.5	179.9	0	111.8	K22 T23 R29 K30	K22-K26 PolarHBondContact O-N 3.17Å; K22-K26 VanDerWaalsContact O-N 3.08Å; T23-K26 PolarHBondContact O-N 3.39Å; K26-R29 PolarHBondContact O-N 3.22Å; K26-K30 PolarHBondContact O-N 3.36Å
27	L	95.4	Very high	90.1	Very high	119 Å²	119	115.4 Å²	115.4	62%	0.623	56%	0.555	S	S	*	*	H	α-helix	trans	-63.8	-45.3	176.9	-177.1	63.6	0	0	0	111.6	T23 A24 R29 K30 L31	T23-L27 PolarHBondContact O-N 3.32Å; A24-L27 PolarHBondContact O-N 3.16Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.06Å; L27-K30 WeakPolarHBondContact O-CB 3.21Å; L27-K30 PolarHBondContact O-N 2.91Å; L27-K30 VanDerWaalsContact O-N 3.1Å; L27-L31 PolarHBondContact O-N 2.97Å
28	A	94.1	Very high	91	Very high	35 Å²	35	107.4 Å²	107.4	29%	0.289	53%	0.528	S	S	.	.	H	α-helix	trans	-58.8	-44.8	176	0	0	0	0	0	111.7	A24 K30 L31 E32	A24-A28 WeakPolarHBondContact O-CB 3.16Å; A24-A28 PolarHBondContact O-N 2.9Å; A28-K30 VanDerWaalsContact C-N 3.3Å; A28-K30 PolarHBondContact O-N 3.25Å; A28-L31 PolarHBondContact O-N 3.42Å; A28-E32 WeakPolarHBondContact O-CG 3.42Å; A28-E32 PolarHBondContact O-N 3.41Å
29	R	93.8	Very high	91.7	Very high	172 Å²	172	106 Å²	106	65%	0.649	53%	0.526	S	S	*	.	H	α-helix	trans	-61.4	-37.1	174.6	-72.1	174.5	-179.3	-179.3	0.2	112.6	K25 K26 L27 R33	K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 3.4Å; K26-R29 PolarHBondContact O-N 3.22Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.06Å; R29-R33 WeakPolarHBondContact O-CB 3.4Å; R29-R33 WeakPolarHBondContact O-CG 3.39Å; R29-R33 PolarHBondContact O-N 3.31Å
30	K	93.8	Very high	92.3	Very high	123 Å²	123	108 Å²	108	54%	0.535	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.8	-170.6	-174	-179.7	-162.7	0	110.8	K26 L27 A28 R33 E34	K26-K30 PolarHBondContact O-N 3.36Å; L27-K30 WeakPolarHBondContact O-CB 3.21Å; L27-K30 PolarHBondContact O-N 2.91Å; L27-K30 VanDerWaalsContact O-N 3.1Å; A28-K30 VanDerWaalsContact C-N 3.3Å; A28-K30 PolarHBondContact O-N 3.25Å; K30-R33 PolarHBondContact O-N 3.38Å; K30-E34 WeakPolarHBondContact CE-OE1 3.43Å; K30-E34 IonicContact NZ-OE1 3.79Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 2.88Å
31	L	92.7	Very high	92.7	Very high	103 Å²	103	107.9 Å²	107.9	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-61.2	-46.3	178.2	-173.9	68.1	0	0	0	111.7	L27 A28 R33 E34 K35	L27-L31 PolarHBondContact O-N 2.97Å; A28-L31 PolarHBondContact O-N 3.42Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.15Å; L31-E34 PolarHBondContact O-N 3.1Å; L31-E34 VanDerWaalsContact O-N 3.16Å; L31-K35 PolarHBondContact O-N 3.42Å
32	E	91.7	Very high	92.9	Very high	107 Å²	107	113.9 Å²	113.9	50%	0.5	55%	0.547	S	S	.	.	H	α-helix	trans	-60.6	-39.6	175.7	-68.2	-52.3	131.2	0	0	112.1	A28 K35	A28-E32 WeakPolarHBondContact O-CG 3.42Å; A28-E32 PolarHBondContact O-N 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.44Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-K35 WeakPolarHBondContact OE1-CE 3.49Å; E32-K35 IonicContact OE1-NZ 3.9Å; E32-K35 PolarHBondContact OE1-NZ 3.03Å; E32-K35 WeakPolarHBondContact OE2-CE 3.43Å; E32-K35 IonicContact OE2-NZ 2.77Å; E32-K35 PolarHBondContact OE2-NZ 3.22Å
33	R	91.4	Very high	92.8	Very high	193 Å²	193	110.8 Å²	110.8	73%	0.728	54%	0.535	S	S	*	.	H	α-helix	trans	-67.8	-33.6	175.3	-74.6	173.3	-177.5	-174.6	-0.5	112.9	R29 K30 L31 K35	R29-R33 WeakPolarHBondContact O-CB 3.4Å; R29-R33 WeakPolarHBondContact O-CG 3.39Å; R29-R33 PolarHBondContact O-N 3.31Å; K30-R33 PolarHBondContact O-N 3.38Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.15Å; R33-K35 PolarHBondContact O-N 2.92Å
34	E	91.9	Very high	92.8	Very high	77 Å²	77	106.7 Å²	106.7	36%	0.36	51%	0.509	S	S	.	.	H	α-helix	trans	-72.2	-17.8	-179.9	-78	-177.1	-164.8	0	0	113.3	K30 L31 T36 K82 Y83	K30-E34 WeakPolarHBondContact CE-OE1 3.43Å; K30-E34 IonicContact NZ-OE1 3.79Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 2.88Å; L31-E34 PolarHBondContact O-N 3.1Å; L31-E34 VanDerWaalsContact O-N 3.16Å; E34-T36 VanDerWaalsContact C-N 3.29Å; E34-T36 PolarHBondContact O-N 3.46Å; E34-K82 IonicContact OE2-NZ 3.8Å; E34-Y83 VanDerWaalsContact O-CE1 3.3Å; E34-Y83 WeakPolarHBondContact O-CE1 3.37Å; E34-Y83 PolarHBondContact O-OH 3.49Å
35	K	91.2	Very high	92.8	Very high	103 Å²	103	107.7 Å²	107.7	45%	0.448	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.7	176.8	-67.3	177.7	-173.9	172.6	0	113	L31 E32 R33 P45 A46	L31-K35 PolarHBondContact O-N 3.42Å; E32-K35 WeakPolarHBondContact O-CB 3.44Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-K35 WeakPolarHBondContact OE1-CE 3.49Å; E32-K35 IonicContact OE1-NZ 3.9Å; E32-K35 PolarHBondContact OE1-NZ 3.03Å; E32-K35 WeakPolarHBondContact OE2-CE 3.43Å; E32-K35 IonicContact OE2-NZ 2.77Å; E32-K35 PolarHBondContact OE2-NZ 3.22Å; R33-K35 PolarHBondContact O-N 2.92Å; K35-P45 CarbonylContact O-C 3.6Å; K35-A46 WeakPolarHBondContact O-CB 3.28Å; K35-A46 PolarHBondContact O-N 3.22Å
36	T	93.5	Very high	92.7	Very high	48 Å²	48	105.9 Å²	105.9	29%	0.294	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-128.2	156	-178.4	64.1	0	0	0	0	110.5	E34 G38 Q43 L44	E34-T36 VanDerWaalsContact C-N 3.29Å; E34-T36 PolarHBondContact O-N 3.46Å; T36-G38 PolarHBondContact O-N 2.85Å; T36-Q43 WeakPolarHBondContact CB-O 3.49Å; T36-Q43 HydrophobicContact CG2-CB 4.45Å; T36-Q43 WeakPolarHBondContact CG2-O 3.44Å; T36-L44 CarbonylContact C-O 3.48Å; T36-L44 VanDerWaalsContact CA-O 3.28Å; T36-L44 WeakPolarHBondContact CA-O 3.35Å
37	M	91	Very high	92.4	Very high	94 Å²	94	99.4 Å²	99.4	46%	0.463	49%	0.487	S	S	.	.			trans	-73.9	-4.6	175.7	-162.6	172.1	132.7	0	0	112.8	W41 L44 Y83	M37-W41 HydrophobicContact CB-CB 4.19Å; M37-W41 HydrophobicContact CE-CB 3.61Å; M37-W41 VanDerWaalsContact CE-CD1 3.48Å; M37-W41 HydrophobicContact CE-CD2 3.58Å; M37-W41 HydrophobicContact CE-CE3 4.26Å; M37-W41 HydrophobicContact CE-CG 3.24Å; M37-W41 HydrophobicContact CG-CB 4.11Å; M37-W41 HydrophobicContact CG-CG 4.35Å; M37-W41 HydrophobicContact SD-CB 4.13Å; M37-W41 HydrophobicContact SD-CD2 4.46Å; M37-W41 HydrophobicContact SD-CG 3.72Å; M37-L44 HydrophobicContact CB-CB 4.15Å; M37-L44 PolarHBondContact N-O 3.17Å; M37-L44 HydrophobicContact SD-CD2 4.47Å; M37-Y83 HydrophobicContact CB-CD1 4.17Å; M37-Y83 HydrophobicContact CB-CD2 4.36Å; M37-Y83 HydrophobicContact CB-CG 4.04Å; M37-Y83 HydrophobicContact CG-CD2 4.3Å; M37-Y83 HydrophobicContact CG-CG 4.41Å; M37-Y83 HydrophobicContact SD-CD2 4.48Å
38	G	91.2	Very high	92	Very high	26 Å²	26	101.3 Å²	101.3	27%	0.268	49%	0.492	S	S	.	.			trans	98.4	172.4	178.8	0	0	0	0	0	114.2	T36 K40 W41 Q43	T36-G38 PolarHBondContact O-N 2.85Å; G38-K40 VanDerWaalsContact C-N 3.32Å; G38-K40 PolarHBondContact O-N 3.43Å; G38-W41 CarbonylContact O-C 3.49Å; G38-W41 PolarHBondContact O-N 2.73Å; G38-W41 VanDerWaalsContact O-N 3.1Å; G38-Q43 WeakPolarHBondContact O-CA 3.3Å; G38-Q43 PolarHBondContact O-N 3.07Å
39	A	91	Very high	91.8	Very high	86 Å²	86	102.9 Å²	102.9	71%	0.711	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-63.3	-32.7	-173	0	0	0	0	0	114	W41 F42	A39-W41 PolarHBondContact O-N 3.23Å; A39-W41 VanDerWaalsContact O-N 3.15Å; A39-F42 PolarHBondContact O-N 3.47Å
40	K	93.8	Very high	91.7	Very high	203 Å²	203	96.9 Å²	96.9	88%	0.883	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-61	-23.2	176.8	-174.1	174.9	-179	178.3	0	112.7	G38	G38-K40 VanDerWaalsContact C-N 3.32Å; G38-K40 PolarHBondContact O-N 3.43Å
41	W	92.9	Very high	91.7	Very high	133 Å²	133	97.3 Å²	97.3	50%	0.504	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-122.8	49.7	-177.8	-156.6	-104.1	0	0	0	111.1	M37 G38 A39 Q43 L44	M37-W41 HydrophobicContact CB-CB 4.19Å; M37-W41 HydrophobicContact CE-CB 3.61Å; M37-W41 VanDerWaalsContact CE-CD1 3.48Å; M37-W41 HydrophobicContact CE-CD2 3.58Å; M37-W41 HydrophobicContact CE-CE3 4.26Å; M37-W41 HydrophobicContact CE-CG 3.24Å; M37-W41 HydrophobicContact CG-CB 4.11Å; M37-W41 HydrophobicContact CG-CG 4.35Å; M37-W41 HydrophobicContact SD-CB 4.13Å; M37-W41 HydrophobicContact SD-CD2 4.46Å; M37-W41 HydrophobicContact SD-CG 3.72Å; G38-W41 CarbonylContact O-C 3.49Å; G38-W41 PolarHBondContact O-N 2.73Å; G38-W41 VanDerWaalsContact O-N 3.1Å; A39-W41 PolarHBondContact O-N 3.23Å; A39-W41 VanDerWaalsContact O-N 3.15Å; W41-Q43 PolarHBondContact O-N 3.02Å; W41-L44 WeakPolarHBondContact O-CB 3.44Å; W41-L44 PolarHBondContact O-N 3.47Å
42	F	94	Very high	91.8	Very high	189 Å²	189	98.3 Å²	98.3	83%	0.829	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	27.1	173.9	-54.2	-79.6	0	0	0	114.5	A39 L44	A39-F42 PolarHBondContact O-N 3.47Å; F42-L44 PolarHBondContact O-N 3.09Å
43	Q	91.1	Very high	91.9	Very high	131 Å²	131	97.1 Å²	97.1	61%	0.612	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.2	-176.2	-56.6	168.7	21.7	0	0	113.4	T36 G38 W41 P45	T36-Q43 WeakPolarHBondContact CB-O 3.49Å; T36-Q43 HydrophobicContact CG2-CB 4.45Å; T36-Q43 WeakPolarHBondContact CG2-O 3.44Å; G38-Q43 WeakPolarHBondContact O-CA 3.3Å; G38-Q43 PolarHBondContact O-N 3.07Å; W41-Q43 PolarHBondContact O-N 3.02Å; Q43-P45 VanDerWaalsContact O-N 3.14Å
44	L	93.1	Very high	92	Very high	21 Å²	21	92.6 Å²	92.6	11%	0.11	46%	0.461	C	S	.	.			trans	-49	119.3	-177.1	-173.1	73.9	0	0	0	111.3	T36 M37 W41 F42 E85	T36-L44 CarbonylContact C-O 3.48Å; T36-L44 VanDerWaalsContact CA-O 3.28Å; T36-L44 WeakPolarHBondContact CA-O 3.35Å; M37-L44 HydrophobicContact CB-CB 4.15Å; M37-L44 PolarHBondContact N-O 3.17Å; M37-L44 HydrophobicContact SD-CD2 4.47Å; W41-L44 WeakPolarHBondContact O-CB 3.44Å; W41-L44 PolarHBondContact O-N 3.47Å; F42-L44 PolarHBondContact O-N 3.09Å; L44-E85 HydrophobicContact CD1-CB 4.06Å; L44-E85 HydrophobicContact CD1-CG 3.49Å; L44-E85 VanDerWaalsContact CD1-CG 3.49Å
45	P	92.7	Very high	92.1	Very high	55 Å²	55	95.6 Å²	95.6	36%	0.357	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-72.7	153.4	-175.1	28.6	-33.9	0	0	0	112.3	K35 Q43 T47 E85	K35-P45 CarbonylContact O-C 3.6Å; Q43-P45 VanDerWaalsContact O-N 3.14Å; P45-T47 PolarHBondContact O-N 2.7Å; P45-T47 VanDerWaalsContact O-N 3.11Å; P45-E85 WeakPolarHBondContact CD-OE1 3.3Å
46	A	90.7	Very high	92.3	Very high	40 Å²	40	91.3 Å²	91.3	33%	0.331	45%	0.451	S	S	.	.			trans	-75.5	91.8	168.5	0	0	0	0	0	109.3	K35 Y83	K35-A46 WeakPolarHBondContact O-CB 3.28Å; K35-A46 PolarHBondContact O-N 3.22Å; A46-Y83 HydrophobicContact CB-CD1 3.85Å; A46-Y83 HydrophobicContact CB-CE1 3.67Å
47	T	88.9	Confident	92.3	Very high	30 Å²	30	89.9 Å²	89.9	18%	0.184	44%	0.441	C	S	.	.			trans	-64	139.1	180	-63.4	0	0	0	0	111.8	P45 R53 F84	P45-T47 PolarHBondContact O-N 2.7Å; P45-T47 VanDerWaalsContact O-N 3.11Å; T47-R53 VanDerWaalsContact CG2-CZ 3.46Å; T47-R53 VanDerWaalsContact CG2-NH1 3.26Å; T47-F84 WeakPolarHBondContact CB-O 3.29Å; T47-F84 HydrophobicContact CG2-CE1 4.44Å; T47-F84 HydrophobicContact CG2-CE2 3.84Å; T47-F84 HydrophobicContact CG2-CZ 3.8Å; T47-F84 PolarHBondContact OG1-O 2.95Å
48	E	88.1	Confident	92.4	Very high	158 Å²	158	88.8 Å²	88.8	74%	0.738	43%	0.434	S	S	*	.			trans	-63.9	139.6	179	-63.4	-178	164.2	0	0	112	S50 R53	E48-S50 PolarHBondContact O-N 2.83Å; E48-S50 VanDerWaalsContact O-N 3.12Å; E48-R53 WeakPolarHBondContact O-CD 3.38Å; E48-R53 PolarHBondContact O-NH1 3.35Å
49	M	88.8	Confident	92.5	Very high	68 Å²	68	88.8 Å²	88.8	34%	0.335	43%	0.429	S	S	.	.			trans	-92.2	69.5	-172.8	-148.4	67.4	61.5	0	0	111.4	K54 L57 F84	M49-K54 HydrophobicContact CG-CD 4.17Å; M49-K54 VanDerWaalsContact CG-CE 3.43Å; M49-K54 HydrophobicContact CG-CG 3.63Å; M49-K54 VanDerWaalsContact O-CE 3.26Å; M49-K54 WeakPolarHBondContact O-CE 3.38Å; M49-K54 HydrophobicContact SD-CG 4.39Å; M49-L57 HydrophobicContact SD-CD1 3.75Å; M49-F84 HydrophobicContact CE-CE1 3.79Å; M49-F84 HydrophobicContact SD-CE1 3.9Å; M49-F84 HydrophobicContact SD-CZ 4.13Å
50	S	92.9	Very high	92.6	Very high	46 Å²	46	88.2 Å²	88.2	32%	0.322	41%	0.414	S	S	.	.			trans	-64	159.7	172.2	71.1	0	0	0	0	111.3	E48 E52 R53 K54	E48-S50 PolarHBondContact O-N 2.83Å; E48-S50 VanDerWaalsContact O-N 3.12Å; S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 2.69Å; S50-R53 PolarHBondContact O-N 3.08Å; S50-R53 WeakPolarHBondContact OG-CD 3.45Å; S50-R53 VanDerWaalsContact OG-CG 3.29Å; S50-R53 WeakPolarHBondContact OG-CG 3.2Å; S50-R53 PolarHBondContact OG-N 3.11Å; S50-K54 WeakPolarHBondContact O-CG 3.45Å; S50-K54 PolarHBondContact O-N 3Å
51	E	93.9	Very high	92.5	Very high	132 Å²	132	80.5 Å²	80.5	62%	0.617	38%	0.381	S	S	*	.	H	α-helix	trans	-61	-39.7	178.8	-66.2	-165.9	175.7	0	0	112.9	K54 R55	E51-K54 WeakPolarHBondContact O-CB 3.24Å; E51-K54 PolarHBondContact O-N 3.36Å; E51-R55 VanDerWaalsContact O-CG 3.29Å; E51-R55 WeakPolarHBondContact O-CG 3.26Å; E51-R55 PolarHBondContact O-N 3.05Å; E51-R55 IonicContact OE2-NH2 2.86Å; E51-R55 PolarHBondContact OE2-NH2 2.96Å
52	E	93.5	Very high	92.4	Very high	125 Å²	125	81.3 Å²	81.3	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-59.4	-49	176.4	-64.5	171.8	174.1	0	0	111.1	S50 K54 R55 D56	S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 2.69Å; E52-K54 VanDerWaalsContact C-N 3.3Å; E52-K54 PolarHBondContact O-N 3.49Å; E52-R55 WeakPolarHBondContact O-CB 3.19Å; E52-R55 PolarHBondContact O-N 2.89Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-D56 PolarHBondContact O-N 2.63Å
53	R	93.5	Very high	92.3	Very high	81 Å²	81	76.4 Å²	76.4	31%	0.306	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-38.5	176.4	-70.4	173.3	-179.7	158	3.6	111.6	T47 E48 S50 R55 D56 L57 F84 I86	T47-R53 VanDerWaalsContact CG2-CZ 3.46Å; T47-R53 VanDerWaalsContact CG2-NH1 3.26Å; E48-R53 WeakPolarHBondContact O-CD 3.38Å; E48-R53 PolarHBondContact O-NH1 3.35Å; S50-R53 PolarHBondContact O-N 3.08Å; S50-R53 WeakPolarHBondContact OG-CD 3.45Å; S50-R53 VanDerWaalsContact OG-CG 3.29Å; S50-R53 WeakPolarHBondContact OG-CG 3.2Å; S50-R53 PolarHBondContact OG-N 3.11Å; R53-R55 VanDerWaalsContact C-N 3.34Å; R53-R55 PolarHBondContact O-N 3.13Å; R53-D56 PolarHBondContact O-N 3.02Å; R53-L57 WeakPolarHBondContact O-CB 3.4Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 3.42Å; R53-F84 HydrophobicContact CB-CE2 4.46Å; R53-F84 HydrophobicContact CB-CZ 4.25Å; R53-F84 HydrophobicContact CG-CE2 4.43Å; R53-I86 HydrophobicContact CG-CD1 3.99Å
54	K	94.3	Very high	92.2	Very high	99 Å²	99	75 Å²	75	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-41.6	174.2	-71.1	173.7	-176.2	168	0	111.7	M49 S50 E51 E52 K58 L80	M49-K54 HydrophobicContact CG-CD 4.17Å; M49-K54 VanDerWaalsContact CG-CE 3.43Å; M49-K54 HydrophobicContact CG-CG 3.63Å; M49-K54 VanDerWaalsContact O-CE 3.26Å; M49-K54 WeakPolarHBondContact O-CE 3.38Å; M49-K54 HydrophobicContact SD-CG 4.39Å; S50-K54 WeakPolarHBondContact O-CG 3.45Å; S50-K54 PolarHBondContact O-N 3Å; E51-K54 WeakPolarHBondContact O-CB 3.24Å; E51-K54 PolarHBondContact O-N 3.36Å; E52-K54 VanDerWaalsContact C-N 3.3Å; E52-K54 PolarHBondContact O-N 3.49Å; K54-K58 VanDerWaalsContact O-CB 3.28Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.01Å; K54-L80 HydrophobicContact CB-CD1 4.46Å; K54-L80 HydrophobicContact CG-CD1 4.26Å
55	R	94.1	Very high	92	Very high	140 Å²	140	78.5 Å²	78.5	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-48.2	177.5	-66.7	167.3	-163.2	172.5	6.6	110.5	E51 E52 R53 K58 V59 V111	E51-R55 VanDerWaalsContact O-CG 3.29Å; E51-R55 WeakPolarHBondContact O-CG 3.26Å; E51-R55 PolarHBondContact O-N 3.05Å; E51-R55 IonicContact OE2-NH2 2.86Å; E51-R55 PolarHBondContact OE2-NH2 2.96Å; E52-R55 WeakPolarHBondContact O-CB 3.19Å; E52-R55 PolarHBondContact O-N 2.89Å; E52-R55 VanDerWaalsContact O-N 3.08Å; R53-R55 VanDerWaalsContact C-N 3.34Å; R53-R55 PolarHBondContact O-N 3.13Å; R55-K58 WeakPolarHBondContact O-CB 3.36Å; R55-K58 PolarHBondContact O-N 3.12Å; R55-K58 VanDerWaalsContact O-N 3.1Å; R55-V59 PolarHBondContact O-N 3.02Å; R55-V111 HydrophobicContact CB-CG2 4.06Å
56	D	94.9	Very high	91.8	Very high	12 Å²	12	78.2 Å²	78.2	6%	0.064	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-47.9	177.4	-84	6.4	0	0	0	112.1	E52 R53 K58 V59 L60 T109 I110 V111	E52-D56 PolarHBondContact O-N 2.63Å; R53-D56 PolarHBondContact O-N 3.02Å; D56-K58 PolarHBondContact O-N 3.13Å; D56-V59 WeakPolarHBondContact O-CB 3.48Å; D56-V59 PolarHBondContact O-N 3.32Å; D56-L60 WeakPolarHBondContact O-CG 3.11Å; D56-L60 PolarHBondContact O-N 3.1Å; D56-T109 WeakPolarHBondContact OD2-CB 3.38Å; D56-I110 HydrophobicContact CB-CB 4.4Å; D56-I110 HydrophobicContact CB-CD1 4.35Å; D56-I110 PolarHBondContact OD1-N 2.99Å; D56-I110 PolarHBondContact OD2-N 2.94Å; D56-I110 VanDerWaalsContact OD2-N 3.07Å; D56-V111 WeakPolarHBondContact OD1-CB 3.44Å; D56-V111 WeakPolarHBondContact OD1-CG2 3.42Å; D56-V111 PolarHBondContact OD1-N 3.13Å
57	L	93.8	Very high	91.7	Very high	18 Å²	18	78.4 Å²	78.4	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-31.4	176.1	-69.1	173.7	0	0	0	112.2	M49 R53 L60 Q61 L80 P81 F84	M49-L57 HydrophobicContact SD-CD1 3.75Å; R53-L57 WeakPolarHBondContact O-CB 3.4Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 3.42Å; L57-L60 HydrophobicContact CD2-CD1 4.34Å; L57-Q61 PolarHBondContact O-N 3.12Å; L57-L80 HydrophobicContact CB-CD1 4.49Å; L57-L80 HydrophobicContact CB-CD2 3.92Å; L57-L80 HydrophobicContact CD1-CB 4.37Å; L57-L80 HydrophobicContact CD1-CD1 4.47Å; L57-P81 HydrophobicContact CD1-CG 4.29Å; L57-P81 HydrophobicContact CD2-CG 3.72Å; L57-F84 HydrophobicContact CD1-CD1 4.3Å; L57-F84 HydrophobicContact CD1-CE1 3.8Å; L57-F84 HydrophobicContact CD1-CE2 4.41Å; L57-F84 HydrophobicContact CD1-CZ 3.85Å; L57-F84 HydrophobicContact CD2-CD2 4.47Å; L57-F84 HydrophobicContact CD2-CG 4.48Å
58	K	93	Very high	91.6	Very high	72 Å²	72	81.6 Å²	81.6	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-72.4	-41.7	176.8	-166.6	65.4	178.2	177.3	0	111.9	K54 R55 D56 L60 Q61 W62	K54-K58 VanDerWaalsContact O-CB 3.28Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.01Å; R55-K58 WeakPolarHBondContact O-CB 3.36Å; R55-K58 PolarHBondContact O-N 3.12Å; R55-K58 VanDerWaalsContact O-N 3.1Å; D56-K58 PolarHBondContact O-N 3.13Å; K58-L60 VanDerWaalsContact C-N 3.3Å; K58-L60 PolarHBondContact O-N 2.96Å; K58-Q61 WeakPolarHBondContact O-CB 3.29Å; K58-Q61 PolarHBondContact O-N 3.18Å; K58-Q61 VanDerWaalsContact O-N 3.13Å; K58-W62 HydrophobicContact CD-CD2 4.49Å; K58-W62 HydrophobicContact CD-CH2 4.25Å; K58-W62 HydrophobicContact CD-CZ2 4.15Å; K58-W62 HydrophobicContact CD-CZ3 4.47Å; K58-W62 VanDerWaalsContact CE-CH2 3.45Å; K58-W62 HydrophobicContact CG-CD2 4.14Å; K58-W62 HydrophobicContact CG-CE3 3.8Å; K58-W62 HydrophobicContact CG-CH2 3.78Å; K58-W62 HydrophobicContact CG-CZ2 4.14Å; K58-W62 HydrophobicContact CG-CZ3 3.59Å; K58-W62 PolarHBondContact O-N 2.96Å; K58-W62 VanDerWaalsContact O-N 3.12Å
59	V	93.2	Very high	91.7	Very high	26 Å²	26	79 Å²	79	16%	0.158	40%	0.395	C	S	.	.	H	α-helix	trans	-57.7	-45.7	171.2	166.7	0	0	0	0	110.2	R55 D56 Q61 W62 R63 I66 I110 V111 L114	R55-V59 PolarHBondContact O-N 3.02Å; D56-V59 WeakPolarHBondContact O-CB 3.48Å; D56-V59 PolarHBondContact O-N 3.32Å; V59-Q61 VanDerWaalsContact C-N 3.29Å; V59-Q61 PolarHBondContact O-N 2.99Å; V59-W62 CarbonylContact O-C 3.37Å; V59-W62 PolarHBondContact O-N 2.95Å; V59-R63 PolarHBondContact O-N 2.66Å; V59-I66 HydrophobicContact CG1-CD1 3.74Å; V59-I110 HydrophobicContact CG1-CG2 4.08Å; V59-V111 HydrophobicContact CB-CG2 4.35Å; V59-V111 HydrophobicContact CG2-CG2 3.56Å; V59-L114 HydrophobicContact CG1-CD2 4.04Å
60	L	92.6	Very high	91.9	Very high	74 Å²	74	78.5 Å²	78.5	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-60.2	-36.6	175	-74.5	171	0	0	0	113	D56 L57 K58 W62 R63 I110	D56-L60 WeakPolarHBondContact O-CG 3.11Å; D56-L60 PolarHBondContact O-N 3.1Å; L57-L60 HydrophobicContact CD2-CD1 4.34Å; K58-L60 VanDerWaalsContact C-N 3.3Å; K58-L60 PolarHBondContact O-N 2.96Å; L60-W62 VanDerWaalsContact C-N 3.26Å; L60-W62 PolarHBondContact O-N 3.27Å; L60-R63 WeakPolarHBondContact O-CD 3.4Å; L60-R63 VanDerWaalsContact O-CG 3.24Å; L60-R63 WeakPolarHBondContact O-CG 3.5Å; L60-I110 HydrophobicContact CD1-CD1 3.83Å; L60-I110 HydrophobicContact CD2-CD1 4.17Å; L60-I110 HydrophobicContact CG-CD1 3.99Å
61	Q	91.6	Very high	91.9	Very high	41 Å²	41	84.5 Å²	84.5	19%	0.192	42%	0.418	C	S	.	.	H	α-helix	trans	-64.9	-32.5	175	-169.8	176.5	36.3	0	0	112.2	L57 K58 V59 N75 R77 K78	L57-Q61 PolarHBondContact O-N 3.12Å; K58-Q61 WeakPolarHBondContact O-CB 3.29Å; K58-Q61 PolarHBondContact O-N 3.18Å; K58-Q61 VanDerWaalsContact O-N 3.13Å; V59-Q61 VanDerWaalsContact C-N 3.29Å; V59-Q61 PolarHBondContact O-N 2.99Å; Q61-N75 PolarHBondContact O-ND2 2.9Å; Q61-R77 PolarHBondContact NE2-O 2.95Å; Q61-K78 PolarHBondContact NE2-O 2.79Å
62	W	91.7	Very high	91.8	Very high	150 Å²	150	82 Å²	82	57%	0.568	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	7.9	-177.1	-66.6	-29.8	0	0	0	114.6	K58 V59 L60 D64 A65	K58-W62 HydrophobicContact CD-CD2 4.49Å; K58-W62 HydrophobicContact CD-CH2 4.25Å; K58-W62 HydrophobicContact CD-CZ2 4.15Å; K58-W62 HydrophobicContact CD-CZ3 4.47Å; K58-W62 VanDerWaalsContact CE-CH2 3.45Å; K58-W62 HydrophobicContact CG-CD2 4.14Å; K58-W62 HydrophobicContact CG-CE3 3.8Å; K58-W62 HydrophobicContact CG-CH2 3.78Å; K58-W62 HydrophobicContact CG-CZ2 4.14Å; K58-W62 HydrophobicContact CG-CZ3 3.59Å; K58-W62 PolarHBondContact O-N 2.96Å; K58-W62 VanDerWaalsContact O-N 3.12Å; V59-W62 CarbonylContact O-C 3.37Å; V59-W62 PolarHBondContact O-N 2.95Å; L60-W62 VanDerWaalsContact C-N 3.26Å; L60-W62 PolarHBondContact O-N 3.27Å; W62-D64 PolarHBondContact O-N 3.44Å; W62-A65 PolarHBondContact O-N 3.27Å
63	R	91.1	Very high	91.7	Very high	86 Å²	86	85 Å²	85	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-51.5	-32.1	-177.5	65.9	-177.3	179.7	162.5	0.3	114.5	V59 L60 A65 I66 D67 Y72	V59-R63 PolarHBondContact O-N 2.66Å; L60-R63 WeakPolarHBondContact O-CD 3.4Å; L60-R63 VanDerWaalsContact O-CG 3.24Å; L60-R63 WeakPolarHBondContact O-CG 3.5Å; R63-A65 PolarHBondContact O-N 3.19Å; R63-I66 PolarHBondContact O-N 2.9Å; R63-D67 PolarHBondContact O-N 3.06Å; R63-Y72 HydrophobicContact CB-CD2 4.33Å; R63-Y72 HydrophobicContact CB-CE2 4.06Å; R63-Y72 HydrophobicContact CG-CD1 4.42Å; R63-Y72 HydrophobicContact CG-CD2 3.6Å; R63-Y72 HydrophobicContact CG-CE2 3.77Å; R63-Y72 HydrophobicContact CG-CG 3.92Å; R63-Y72 VanDerWaalsContact NE-CD1 3.31Å; R63-Y72 VanDerWaalsContact NH1-CE1 3.25Å
64	D	90.3	Very high	91.5	Very high	101 Å²	101	91.1 Å²	91.1	54%	0.54	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-28.5	177.1	-165.6	53.7	0	0	0	113.3	W62	W62-D64 PolarHBondContact O-N 3.44Å
65	A	88.4	Confident	91.1	Very high	94 Å²	94	90.1 Å²	90.1	78%	0.777	43%	0.432	S	S	*	.	H	α-helix	trans	-89.8	-13.8	176.7	0	0	0	0	0	113.2	W62 R63	W62-A65 PolarHBondContact O-N 3.27Å; R63-A65 PolarHBondContact O-N 3.19Å
66	I	89.7	Confident	90.5	Very high	50 Å²	50	91.6 Å²	91.6	26%	0.256	44%	0.439	S	S	.	.	H	α-helix	trans	-87.6	-48.7	-174.1	-66.2	169.9	0	0	0	110.3	V59 R63 L114 M124	V59-I66 HydrophobicContact CG1-CD1 3.74Å; R63-I66 PolarHBondContact O-N 2.9Å; I66-L114 HydrophobicContact CD1-CD2 3.94Å; I66-L114 HydrophobicContact CG2-CD1 3.64Å; I66-L114 HydrophobicContact CG2-CD2 4.39Å; I66-M124 HydrophobicContact CG1-CE 4.4Å; I66-M124 HydrophobicContact CG2-CE 4.02Å
67	D	87.1	Confident	90	Very high	44 Å²	44	100.6 Å²	100.6	24%	0.235	47%	0.472	C	S	.	.			trans	-112.8	111.3	-178.9	-177.3	3.3	0	0	0	110.4	R63 T69 V70	R63-D67 PolarHBondContact O-N 3.06Å; D67-T69 VanDerWaalsContact C-N 3.25Å; D67-T69 VanDerWaalsContact CG-OG1 3.27Å; D67-T69 PolarHBondContact O-N 3.29Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 2.92Å; D67-T69 PolarHBondContact OD1-OG1 3.48Å; D67-T69 PolarHBondContact OD2-OG1 3.07Å; D67-V70 WeakPolarHBondContact OD2-CG2 3.28Å
68	P	87.9	Confident	89.6	Confident	97 Å²	97	108.9 Å²	108.9	63%	0.63	51%	0.507	S	S	*	.	S	Bend	trans	-77.1	-11.9	179.6	33.2	-36.1	0	0	0	113.2
69	T	90.6	Very high	89.5	Confident	102 Å²	102	110.4 Å²	110.4	63%	0.626	52%	0.523	S	S	*	.	S	Bend	trans	-81.7	-29.1	-175	68.7	0	0	0	0	112	D67	D67-T69 VanDerWaalsContact C-N 3.25Å; D67-T69 VanDerWaalsContact CG-OG1 3.27Å; D67-T69 PolarHBondContact O-N 3.29Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 2.92Å; D67-T69 PolarHBondContact OD1-OG1 3.48Å; D67-T69 PolarHBondContact OD2-OG1 3.07Å
70	V	91.8	Very high	89.3	Confident	59 Å²	59	112.2 Å²	112.2	36%	0.358	53%	0.531	S	S	.	.	S	Bend	trans	-108.4	120.9	-176.1	-177.9	0	0	0	0	110.5	D67 Y72	D67-V70 WeakPolarHBondContact OD2-CG2 3.28Å; V70-Y72 HydrophobicContact CB-CE2 4.06Å; V70-Y72 HydrophobicContact CG1-CD1 4.21Å; V70-Y72 HydrophobicContact CG1-CD2 4.32Å; V70-Y72 HydrophobicContact CG1-CE1 3.8Å; V70-Y72 HydrophobicContact CG1-CE2 3.9Å; V70-Y72 HydrophobicContact CG1-CG 4.5Å
71	H	93	Very high	89.3	Confident	172 Å²	172	111.7 Å²	111.7	80%	0.796	53%	0.532	S	S	*	.			trans	-84.9	115.7	172.4	-64.9	87.3	0	0	0	110
72	Y	92.1	Very high	89.2	Confident	79 Å²	79	114.5 Å²	114.5	31%	0.31	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-93.7	146.4	175.3	-65.7	-74.8	0	0	0	111.6	R63 V70 R74	R63-Y72 HydrophobicContact CB-CD2 4.33Å; R63-Y72 HydrophobicContact CB-CE2 4.06Å; R63-Y72 HydrophobicContact CG-CD1 4.42Å; R63-Y72 HydrophobicContact CG-CD2 3.6Å; R63-Y72 HydrophobicContact CG-CE2 3.77Å; R63-Y72 HydrophobicContact CG-CG 3.92Å; R63-Y72 VanDerWaalsContact NE-CD1 3.31Å; R63-Y72 VanDerWaalsContact NH1-CE1 3.25Å; V70-Y72 HydrophobicContact CB-CE2 4.06Å; V70-Y72 HydrophobicContact CG1-CD1 4.21Å; V70-Y72 HydrophobicContact CG1-CD2 4.32Å; V70-Y72 HydrophobicContact CG1-CE1 3.8Å; V70-Y72 HydrophobicContact CG1-CE2 3.9Å; V70-Y72 HydrophobicContact CG1-CG 4.5Å; Y72-R74 PolarHBondContact O-N 3.22Å
73	R	91.7	Very high	89.3	Confident	188 Å²	188	110 Å²	110	71%	0.709	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-60.5	133.1	169.3	-172.6	174.9	179.9	-177.1	1.3	109.8	N75 Y76	R73-N75 PolarHBondContact O-N 2.91Å; R73-Y76 PolarHBondContact NE-OH 2.8Å; R73-Y76 PolarHBondContact NH2-OH 2.88Å; R73-Y76 VanDerWaalsContact NH2-OH 3.17Å
74	R	88	Confident	89.4	Confident	210 Å²	210	107.1 Å²	107.1	79%	0.792	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-52.8	130	-178.5	-173.7	177.4	-179.2	-177.5	1.7	112.1	Y72 Y76	Y72-R74 PolarHBondContact O-N 3.22Å; R74-Y76 PolarHBondContact O-N 3.44Å
75	N	86	Confident	89.5	Confident	77 Å²	77	108.7 Å²	108.7	41%	0.412	52%	0.521	S	S	.	.			trans	-69.9	107.1	173	-71.1	-35.1	0	0	0	110.4	Q61 R73 R77	Q61-N75 PolarHBondContact O-ND2 2.9Å; R73-N75 PolarHBondContact O-N 2.91Å; N75-R77 VanDerWaalsContact C-N 3.32Å
76	Y	83.1	Confident	89.7	Confident	172 Å²	172	109.3 Å²	109.3	68%	0.675	51%	0.51	S	S	*	.			trans	-70.3	-28.4	177.6	-61	-79.1	0	0	0	113	R73 R74	R73-Y76 PolarHBondContact NE-OH 2.8Å; R73-Y76 PolarHBondContact NH2-OH 2.88Å; R73-Y76 VanDerWaalsContact NH2-OH 3.17Å; R74-Y76 PolarHBondContact O-N 3.44Å
77	R	84.4	Confident	89.8	Confident	200 Å²	200	110.5 Å²	110.5	76%	0.755	54%	0.535	S	S	*	.			trans	-99.1	126.5	-175.5	-64.3	-177.7	-178.8	170.5	0.4	110.4	Q61 N75 T79	Q61-R77 PolarHBondContact NE2-O 2.95Å; N75-R77 VanDerWaalsContact C-N 3.32Å; R77-T79 VanDerWaalsContact C-N 3.33Å
78	K	85	Confident	90.1	Very high	192 Å²	192	119 Å²	119	84%	0.835	56%	0.564	S	S	*	*			trans	-78	-23	170.9	-66.7	-177.5	-179.2	177.6	0	112.2	Q61	Q61-K78 PolarHBondContact NE2-O 2.79Å
79	T	89.8	Confident	90.2	Very high	105 Å²	105	119.2 Å²	119.2	64%	0.644	56%	0.563	S	S	*	*	S	Bend	trans	-81.2	142.6	-178	57.2	0	0	0	0	111.5	R77	R77-T79 VanDerWaalsContact C-N 3.33Å
80	L	90.1	Very high	90.3	Very high	63 Å²	63	119.4 Å²	119.4	33%	0.33	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-64.9	146.1	172.8	-60.1	-177.2	0	0	0	110.7	K54 L57	K54-L80 HydrophobicContact CB-CD1 4.46Å; K54-L80 HydrophobicContact CG-CD1 4.26Å; L57-L80 HydrophobicContact CB-CD1 4.49Å; L57-L80 HydrophobicContact CB-CD2 3.92Å; L57-L80 HydrophobicContact CD1-CB 4.37Å; L57-L80 HydrophobicContact CD1-CD1 4.47Å
81	P	91.4	Very high	90.3	Very high	63 Å²	63	119.3 Å²	119.3	41%	0.409	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-64.7	140.2	177	27.6	-34.5	0	0	0	111.2	L57 F84	L57-P81 HydrophobicContact CD1-CG 4.29Å; L57-P81 HydrophobicContact CD2-CG 3.72Å; P81-F84 HydrophobicContact CG-CD1 4.42Å
82	K	90.8	Very high	90.3	Very high	101 Å²	101	114.2 Å²	114.2	44%	0.439	54%	0.54	S	S	.	.	S	Bend	trans	-81.9	-35.7	177.3	-179.3	176.8	172.5	-175.1	0	112.9	E34	E34-K82 IonicContact OE2-NZ 3.8Å
83	Y	93.4	Very high	90.2	Very high	56 Å²	56	115.9 Å²	115.9	22%	0.22	56%	0.56	C	S	.	*	S	Bend	trans	-115.9	120.1	-177.5	-52.7	-86.3	0	0	0	108.3	E34 M37 A46	E34-Y83 VanDerWaalsContact O-CE1 3.3Å; E34-Y83 WeakPolarHBondContact O-CE1 3.37Å; E34-Y83 PolarHBondContact O-OH 3.49Å; M37-Y83 HydrophobicContact CB-CD1 4.17Å; M37-Y83 HydrophobicContact CB-CD2 4.36Å; M37-Y83 HydrophobicContact CB-CG 4.04Å; M37-Y83 HydrophobicContact CG-CD2 4.3Å; M37-Y83 HydrophobicContact CG-CG 4.41Å; M37-Y83 HydrophobicContact SD-CD2 4.48Å; A46-Y83 HydrophobicContact CB-CD1 3.85Å; A46-Y83 HydrophobicContact CB-CE1 3.67Å
84	F	92.9	Very high	90.3	Very high	24 Å²	24	114 Å²	114	11%	0.105	56%	0.562	C	S	.	*			trans	-162.1	152.9	178.7	63.5	-84.4	0	0	0	109.4	T47 M49 R53 L57 P81 I86	T47-F84 WeakPolarHBondContact CB-O 3.29Å; T47-F84 HydrophobicContact CG2-CE1 4.44Å; T47-F84 HydrophobicContact CG2-CE2 3.84Å; T47-F84 HydrophobicContact CG2-CZ 3.8Å; T47-F84 PolarHBondContact OG1-O 2.95Å; M49-F84 HydrophobicContact CE-CE1 3.79Å; M49-F84 HydrophobicContact SD-CE1 3.9Å; M49-F84 HydrophobicContact SD-CZ 4.13Å; R53-F84 HydrophobicContact CB-CE2 4.46Å; R53-F84 HydrophobicContact CB-CZ 4.25Å; R53-F84 HydrophobicContact CG-CE2 4.43Å; L57-F84 HydrophobicContact CD1-CD1 4.3Å; L57-F84 HydrophobicContact CD1-CE1 3.8Å; L57-F84 HydrophobicContact CD1-CE2 4.41Å; L57-F84 HydrophobicContact CD1-CZ 3.85Å; L57-F84 HydrophobicContact CD2-CD2 4.47Å; L57-F84 HydrophobicContact CD2-CG 4.48Å; P81-F84 HydrophobicContact CG-CD1 4.42Å; F84-I86 HydrophobicContact CD2-CG1 4.26Å; F84-I86 HydrophobicContact CE2-CD1 4.13Å; F84-I86 HydrophobicContact CE2-CG1 4.3Å
85	E	92.4	Very high	90.5	Very high	134 Å²	134	107.5 Å²	107.5	63%	0.626	54%	0.544	S	S	*	.			trans	-121.6	153.2	172	-84.1	173.5	179.7	0	0	109.3	L44 P45	L44-E85 HydrophobicContact CD1-CB 4.06Å; L44-E85 HydrophobicContact CD1-CG 3.49Å; L44-E85 VanDerWaalsContact CD1-CG 3.49Å; P45-E85 WeakPolarHBondContact CD-OE1 3.3Å
86	I	92.4	Very high	90.8	Very high	108 Å²	108	110.8 Å²	110.8	55%	0.554	55%	0.554	S	S	*	*			trans	-114.7	125.6	176.8	-61.9	168.3	0	0	0	106.6	R53 F84	R53-I86 HydrophobicContact CG-CD1 3.99Å; F84-I86 HydrophobicContact CD2-CG1 4.26Å; F84-I86 HydrophobicContact CE2-CD1 4.13Å; F84-I86 HydrophobicContact CE2-CG1 4.3Å
87	G	92.6	Very high	91.1	Very high	75 Å²	75	110.4 Å²	110.4	77%	0.773	55%	0.553	S	S	*	*			trans	-127.3	174.8	177.2	0	0	0	0	0	111.2
88	R	92	Very high	91.4	Very high	223 Å²	223	105.8 Å²	105.8	84%	0.842	55%	0.552	S	S	*	*			trans	-110.6	146.1	175.4	65.2	-175.4	-179.5	-174.1	0.1	110.3	V90	R88-V90 HydrophobicContact CG-CG2 4.26Å; R88-V90 PolarHBondContact O-N 3.35Å
89	V	90.8	Very high	91.6	Very high	100 Å²	100	100.3 Å²	100.3	61%	0.606	54%	0.537	S	S	*	.			trans	-71.6	122.8	171.7	-177.5	0	0	0	0	108.8	R106	V89-R106 PolarHBondContact O-NH1 3.08Å
90	V	91.9	Very high	91.7	Very high	106 Å²	106	98.6 Å²	98.6	64%	0.642	52%	0.519	S	S	*	.			trans	-107.3	126.9	174.6	179.5	0	0	0	0	107.3	R88	R88-V90 HydrophobicContact CG-CG2 4.26Å; R88-V90 PolarHBondContact O-N 3.35Å
91	D	91.7	Very high	91.8	Very high	57 Å²	57	98.2 Å²	98.2	31%	0.305	52%	0.517	S	S	.	.			trans	-70.7	136.5	-179	-56.1	-18.3	0	0	0	109.7	R100 R106	D91-R100 HydrophobicContact CB-CG 4.36Å; D91-R106 IonicContact OD1-CZ 3.95Å; D91-R106 IonicContact OD1-NH2 2.8Å; D91-R106 PolarHBondContact OD1-NH2 2.97Å; D91-R106 IonicContact OD2-CZ 2.84Å; D91-R106 IonicContact OD2-NH2 2.97Å; D91-R106 PolarHBondContact OD2-NH2 3.04Å
92	N	93	Very high	91.8	Very high	66 Å²	66	98.7 Å²	98.7	35%	0.353	52%	0.52	S	S	.	.			trans	-77.6	134.4	172.2	-177.8	8	0	0	0	109.4	I94 D95	N92-I94 PolarHBondContact O-N 3.23Å; N92-I94 VanDerWaalsContact O-N 3.13Å; N92-I94 PolarHBondContact OD1-N 3.32Å; N92-D95 HydrophobicContact CB-CB 4.45Å; N92-D95 WeakPolarHBondContact CB-OD2 3.43Å; N92-D95 PolarHBondContact O-N 3.34Å; N92-D95 VanDerWaalsContact O-N 3.16Å
93	P	90.9	Very high	91.8	Very high	114 Å²	114	103 Å²	103	74%	0.74	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.3	175.9	20	-34.5	0	0	0	114.4	R100	P93-R100 PolarHBondContact O-NH2 3.39Å
94	I	94.2	Very high	91.7	Very high	147 Å²	147	109.1 Å²	109.1	75%	0.754	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-27	-178.5	-57.3	171.7	0	0	0	112	N92	N92-I94 PolarHBondContact O-N 3.23Å; N92-I94 VanDerWaalsContact O-N 3.13Å; N92-I94 PolarHBondContact OD1-N 3.32Å
95	D	90.9	Very high	91.7	Very high	74 Å²	74	113.3 Å²	113.3	40%	0.396	59%	0.586	S	S	.	*	S	Bend	trans	-74.4	136.7	-174.2	-65.6	-18.5	0	0	0	111.4	N92 R100	N92-D95 HydrophobicContact CB-CB 4.45Å; N92-D95 WeakPolarHBondContact CB-OD2 3.43Å; N92-D95 PolarHBondContact O-N 3.34Å; N92-D95 VanDerWaalsContact O-N 3.16Å; D95-R100 PolarHBondContact O-NE 3.4Å; D95-R100 VanDerWaalsContact O-NE 3.13Å; D95-R100 PolarHBondContact O-NH2 2.94Å
96	F	92.7	Very high	91.8	Very high	146 Å²	146	111.2 Å²	111.2	64%	0.64	57%	0.573	S	S	*	*			trans	-64.7	152.3	178.5	-171.2	-106.6	0	0	0	111.9	S98 S99	F96-S98 WeakPolarHBondContact CD1-OG 3.44Å; F96-S98 PolarHBondContact O-N 2.99Å; F96-S99 PolarHBondContact O-N 2.86Å; F96-S99 PolarHBondContact O-OG 2.95Å
97	Y	89.9	Confident	91.8	Very high	164 Å²	164	110.5 Å²	110.5	64%	0.643	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-60.2	-21	-172.8	-60	-75.6	0	0	0	114.7	S99 R100	Y97-S99 PolarHBondContact O-N 2.84Å; Y97-R100 VanDerWaalsContact CE1-NH1 3.33Å; Y97-R100 PolarHBondContact O-N 2.97Å
98	S	90.7	Very high	91.8	Very high	104 Å²	104	114.1 Å²	114.1	73%	0.727	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-69.2	-28.2	-179.4	66.1	0	0	0	0	114.2	F96 R100	F96-S98 WeakPolarHBondContact CD1-OG 3.44Å; F96-S98 PolarHBondContact O-N 2.99Å; S98-R100 VanDerWaalsContact C-N 3.31Å
99	S	89.6	Confident	92	Very high	76 Å²	76	104.9 Å²	104.9	53%	0.531	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-84.9	-7.8	176.9	59.9	0	0	0	0	112.7	F96 Y97	F96-S99 PolarHBondContact O-N 2.86Å; F96-S99 PolarHBondContact O-OG 2.95Å; Y97-S99 PolarHBondContact O-N 2.84Å
100	R	92	Very high	92.1	Very high	69 Å²	69	103.6 Å²	103.6	26%	0.26	52%	0.524	S	S	.	.	S	Bend	trans	-83.5	139.7	-174.2	-58.4	-173.1	-169.5	-171.3	0.4	111.4	D91 P93 D95 Y97 S98 P102	D91-R100 HydrophobicContact CB-CG 4.36Å; P93-R100 PolarHBondContact O-NH2 3.39Å; D95-R100 PolarHBondContact O-NE 3.4Å; D95-R100 VanDerWaalsContact O-NE 3.13Å; D95-R100 PolarHBondContact O-NH2 2.94Å; Y97-R100 VanDerWaalsContact CE1-NH1 3.33Å; Y97-R100 PolarHBondContact O-N 2.97Å; S98-R100 VanDerWaalsContact C-N 3.31Å; R100-P102 WeakPolarHBondContact O-CD 3.44Å
101	I	90.8	Very high	92.2	Very high	56 Å²	56	100.1 Å²	100.1	29%	0.287	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-86.9	118.2	179.1	-56.1	172.6	0	0	0	109.5	Q105 R106	I101-Q105 HydrophobicContact CG2-CB 3.82Å; I101-R106 HydrophobicContact CG2-CG 3.98Å; I101-R106 PolarHBondContact O-NE 3.31Å; I101-R106 PolarHBondContact O-NH2 3.49Å; I101-R106 VanDerWaalsContact O-NH2 3.07Å
102	P	92	Very high	92.4	Very high	72 Å²	72	101.8 Å²	101.8	47%	0.468	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-57.7	146.4	176.4	-23.7	33.4	0	0	0	112.5	R100 K104 Q105 R106	R100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-K104 PolarHBondContact O-N 3.34Å; P102-Q105 PolarHBondContact O-N 3.4Å; P102-R106 PolarHBondContact O-N 2.89Å
103	K	91.3	Very high	92.4	Very high	191 Å²	191	103.1 Å²	103.1	83%	0.83	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.4	-179	-172.8	177.5	178.9	-178.9	0	113.9	Q105 R106	K103-Q105 VanDerWaalsContact C-N 3.33Å; K103-Q105 PolarHBondContact O-N 3.18Å; K103-R106 PolarHBondContact O-N 2.89Å
104	K	92.2	Very high	92.5	Very high	185 Å²	185	99.3 Å²	99.3	80%	0.804	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.8	179.8	-66.5	-174.9	179.6	-179.2	0	113.5	P102 K107	P102-K104 PolarHBondContact O-N 3.34Å; K104-K107 WeakPolarHBondContact O-CE 3.49Å; K104-K107 PolarHBondContact O-NZ 3.35Å
105	Q	91.8	Very high	92.4	Very high	113 Å²	113	97.1 Å²	97.1	53%	0.528	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-24.4	-179.1	-68.9	177.6	-3.6	0	0	111.9	I101 P102 K103 K107	I101-Q105 HydrophobicContact CG2-CB 3.82Å; P102-Q105 PolarHBondContact O-N 3.4Å; K103-Q105 VanDerWaalsContact C-N 3.33Å; K103-Q105 PolarHBondContact O-N 3.18Å; Q105-K107 PolarHBondContact O-N 3.16Å
106	R	93.5	Very high	92.6	Very high	90 Å²	90	95.8 Å²	95.8	34%	0.34	48%	0.475	S	S	.	.			trans	-66.2	126.5	175.7	-59.6	-178.2	-173.9	-129.6	-4.1	110.9	V89 D91 I101 P102 K103	V89-R106 PolarHBondContact O-NH1 3.08Å; D91-R106 IonicContact OD1-CZ 3.95Å; D91-R106 IonicContact OD1-NH2 2.8Å; D91-R106 PolarHBondContact OD1-NH2 2.97Å; D91-R106 IonicContact OD2-CZ 2.84Å; D91-R106 IonicContact OD2-NH2 2.97Å; D91-R106 PolarHBondContact OD2-NH2 3.04Å; I101-R106 HydrophobicContact CG2-CG 3.98Å; I101-R106 PolarHBondContact O-NE 3.31Å; I101-R106 PolarHBondContact O-NH2 3.49Å; I101-R106 VanDerWaalsContact O-NH2 3.07Å; P102-R106 PolarHBondContact O-N 2.89Å; K103-R106 PolarHBondContact O-N 2.89Å
107	K	94.3	Very high	92.6	Very high	92 Å²	92	92.1 Å²	92.1	40%	0.4	46%	0.462	S	S	.	.			trans	-124.6	175.1	175.6	-57.1	-59.6	167.5	-158.9	0	111.6	K104 Q105 E112 E113	K104-K107 WeakPolarHBondContact O-CE 3.49Å; K104-K107 PolarHBondContact O-NZ 3.35Å; Q105-K107 PolarHBondContact O-N 3.16Å; K107-E112 HydrophobicContact CB-CB 3.86Å; K107-E112 HydrophobicContact CG-CB 4.16Å; K107-E113 HydrophobicContact CB-CB 4.19Å; K107-E113 HydrophobicContact CG-CB 4.2Å
108	N	92.6	Very high	92.8	Very high	151 Å²	151	87.2 Å²	87.2	81%	0.807	46%	0.456	S	S	*	.	S	Bend	trans	-82.5	-35.5	-178.8	-66.7	-21.3	0	0	0	111.7
109	T	94.4	Very high	92.8	Very high	29 Å²	29	87.8 Å²	87.8	18%	0.178	45%	0.447	C	S	.	.	S	Bend	trans	-121.1	156.9	179.9	62.3	0	0	0	0	111.7	D56 V111 E112 E113	D56-T109 WeakPolarHBondContact OD2-CB 3.38Å; T109-V111 VanDerWaalsContact C-N 3.33Å; T109-E112 PolarHBondContact N-OE2 3Å; T109-E112 PolarHBondContact O-N 3.44Å; T109-E112 VanDerWaalsContact OG1-CB 3.29Å; T109-E112 WeakPolarHBondContact OG1-CB 3.42Å; T109-E112 VanDerWaalsContact OG1-CD 3.23Å; T109-E112 WeakPolarHBondContact OG1-CG 3.49Å; T109-E112 PolarHBondContact OG1-N 3Å; T109-E112 PolarHBondContact OG1-OE2 2.75Å; T109-E113 PolarHBondContact O-N 3.45Å; T109-E113 VanDerWaalsContact O-N 3.17Å
110	I	93.5	Very high	92.9	Very high	73 Å²	73	85.2 Å²	85.2	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-41	-179.9	-61.3	170.1	0	0	0	109.9	D56 V59 L60 E112 E113 L114	D56-I110 HydrophobicContact CB-CB 4.4Å; D56-I110 HydrophobicContact CB-CD1 4.35Å; D56-I110 PolarHBondContact OD1-N 2.99Å; D56-I110 PolarHBondContact OD2-N 2.94Å; D56-I110 VanDerWaalsContact OD2-N 3.07Å; V59-I110 HydrophobicContact CG1-CG2 4.08Å; L60-I110 HydrophobicContact CD1-CD1 3.83Å; L60-I110 HydrophobicContact CD2-CD1 4.17Å; L60-I110 HydrophobicContact CG-CD1 3.99Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-E112 PolarHBondContact O-N 3.14Å; I110-E113 PolarHBondContact O-N 3.41Å; I110-L114 WeakPolarHBondContact O-CB 3.23Å; I110-L114 PolarHBondContact O-N 3.16Å
111	V	94.4	Very high	93	Very high	34 Å²	34	87.8 Å²	87.8	21%	0.206	44%	0.438	C	S	.	.	H	α-helix	trans	-61.5	-42.2	177.7	173.6	0	0	0	0	111.3	R55 D56 V59 T109 L114 L115	R55-V111 HydrophobicContact CB-CG2 4.06Å; D56-V111 WeakPolarHBondContact OD1-CB 3.44Å; D56-V111 WeakPolarHBondContact OD1-CG2 3.42Å; D56-V111 PolarHBondContact OD1-N 3.13Å; V59-V111 HydrophobicContact CB-CG2 4.35Å; V59-V111 HydrophobicContact CG2-CG2 3.56Å; T109-V111 VanDerWaalsContact C-N 3.33Å; V111-L114 PolarHBondContact O-N 3.39Å; V111-L115 HydrophobicContact CG1-CD1 3.9Å; V111-L115 HydrophobicContact CG1-CG 4.38Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 2.97Å
112	E	94.9	Very high	93.1	Very high	92 Å²	92	90.7 Å²	90.7	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-41	177.5	-79.5	171.2	178.6	0	0	112.5	K107 T109 I110 L114 L115 A116	K107-E112 HydrophobicContact CB-CB 3.86Å; K107-E112 HydrophobicContact CG-CB 4.16Å; T109-E112 PolarHBondContact N-OE2 3Å; T109-E112 PolarHBondContact O-N 3.44Å; T109-E112 VanDerWaalsContact OG1-CB 3.29Å; T109-E112 WeakPolarHBondContact OG1-CB 3.42Å; T109-E112 VanDerWaalsContact OG1-CD 3.23Å; T109-E112 WeakPolarHBondContact OG1-CG 3.49Å; T109-E112 PolarHBondContact OG1-N 3Å; T109-E112 PolarHBondContact OG1-OE2 2.75Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-E112 PolarHBondContact O-N 3.14Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L115 PolarHBondContact O-N 3.4Å; E112-A116 WeakPolarHBondContact O-CB 3.15Å; E112-A116 PolarHBondContact O-N 3.04Å
113	E	93.9	Very high	93.2	Very high	93 Å²	93	92.9 Å²	92.9	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-60	-46.3	176	-170.6	172.6	133	0	0	110.6	K107 T109 I110 L115 A116 D117	K107-E113 HydrophobicContact CB-CB 4.19Å; K107-E113 HydrophobicContact CG-CB 4.2Å; T109-E113 PolarHBondContact O-N 3.45Å; T109-E113 VanDerWaalsContact O-N 3.17Å; I110-E113 PolarHBondContact O-N 3.41Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.03Å; E113-A116 PolarHBondContact O-N 3.34Å; E113-D117 PolarHBondContact O-N 3.47Å
114	L	93.2	Very high	93.2	Very high	34 Å²	34	87.2 Å²	87.2	18%	0.178	43%	0.426	C	S	.	.	H	α-helix	trans	-62.9	-37.5	178.9	-167.9	71.2	0	0	0	113	V59 I66 I110 V111 E112 V120 M124	V59-L114 HydrophobicContact CG1-CD2 4.04Å; I66-L114 HydrophobicContact CD1-CD2 3.94Å; I66-L114 HydrophobicContact CG2-CD1 3.64Å; I66-L114 HydrophobicContact CG2-CD2 4.39Å; I110-L114 WeakPolarHBondContact O-CB 3.23Å; I110-L114 PolarHBondContact O-N 3.16Å; V111-L114 PolarHBondContact O-N 3.39Å; E112-L114 VanDerWaalsContact C-N 3.32Å; L114-V120 HydrophobicContact CD1-CB 4.46Å; L114-V120 HydrophobicContact CD1-CG1 3.54Å; L114-V120 HydrophobicContact CD1-CG2 4.29Å; L114-V120 HydrophobicContact CG-CG1 3.9Å; L114-M124 HydrophobicContact CD1-CE 4.13Å; L114-M124 HydrophobicContact CD2-CE 3.64Å; L114-M124 HydrophobicContact CG-CE 3.85Å
115	L	92.7	Very high	93.3	Very high	102 Å²	102	86.3 Å²	86.3	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-78.7	-23.5	177.9	-69.6	175.8	0	0	0	113.1	V111 E112 E113 R121	V111-L115 HydrophobicContact CG1-CD1 3.9Å; V111-L115 HydrophobicContact CG1-CG 4.38Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 2.97Å; E112-L115 PolarHBondContact O-N 3.4Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.03Å; L115-R121 WeakPolarHBondContact O-CD 3.5Å; L115-R121 PolarHBondContact O-NE 2.97Å
116	A	93.7	Very high	93.5	Very high	46 Å²	46	86.1 Å²	86.1	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-74.4	-30.2	176.3	0	0	0	0	0	112	E112 E113 A118 R121	E112-A116 WeakPolarHBondContact O-CB 3.15Å; E112-A116 PolarHBondContact O-N 3.04Å; E113-A116 PolarHBondContact O-N 3.34Å; A116-A118 PolarHBondContact O-N 3.29Å; A116-R121 PolarHBondContact O-NH2 2.92Å
117	D	93.5	Very high	93.5	Very high	69 Å²	69	86.7 Å²	86.7	37%	0.369	43%	0.427	S	S	.	.			trans	-68	125	179.9	-168.9	-33.7	0	0	0	111.9	E113 E119 V120 R121	E113-D117 PolarHBondContact O-N 3.47Å; D117-E119 PolarHBondContact OD1-N 3.4Å; D117-V120 HydrophobicContact CB-CB 3.99Å; D117-V120 HydrophobicContact CB-CG2 3.89Å; D117-V120 PolarHBondContact OD1-N 2.86Å; D117-R121 WeakPolarHBondContact O-CB 3.11Å; D117-R121 VanDerWaalsContact O-CG 3.24Å; D117-R121 WeakPolarHBondContact O-CG 3.29Å; D117-R121 PolarHBondContact O-N 3.02Å; D117-R121 PolarHBondContact O-NE 3.38Å
118	A	93.1	Very high	93.6	Very high	61 Å²	61	90.5 Å²	90.5	50%	0.504	44%	0.44	S	S	.	.	H	α-helix	trans	-72.8	-38.4	179.4	0	0	0	0	0	113	A116 R121 Q122	A116-A118 PolarHBondContact O-N 3.29Å; A118-R121 PolarHBondContact O-N 3.37Å; A118-Q122 PolarHBondContact O-N 3.17Å
119	E	92.4	Very high	93.8	Very high	115 Å²	115	86.7 Å²	86.7	54%	0.537	43%	0.425	S	S	.	.	H	α-helix	trans	-68.5	-45.6	-177.3	-62.8	-170.5	-176.5	0	0	110.5	D117 R121 Q122 R123	D117-E119 PolarHBondContact OD1-N 3.4Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.5Å; E119-Q122 PolarHBondContact O-N 3.4Å; E119-R123 WeakPolarHBondContact O-CG 3.3Å; E119-R123 PolarHBondContact O-N 3.47Å; E119-R123 IonicContact OE2-NH2 3.57Å
120	V	91.8	Very high	93.9	Very high	23 Å²	23	90.4 Å²	90.4	14%	0.139	44%	0.44	C	S	.	.	H	α-helix	trans	-58.3	-47	175.6	174	0	0	0	0	110.3	L114 D117 Q122 R123 M124	L114-V120 HydrophobicContact CD1-CB 4.46Å; L114-V120 HydrophobicContact CD1-CG1 3.54Å; L114-V120 HydrophobicContact CD1-CG2 4.29Å; L114-V120 HydrophobicContact CG-CG1 3.9Å; D117-V120 HydrophobicContact CB-CB 3.99Å; D117-V120 HydrophobicContact CB-CG2 3.89Å; D117-V120 PolarHBondContact OD1-N 2.86Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-Q122 PolarHBondContact O-N 2.98Å; V120-R123 PolarHBondContact O-N 2.89Å; V120-M124 HydrophobicContact CG1-CE 3.29Å; V120-M124 HydrophobicContact CG1-CG 4.26Å; V120-M124 HydrophobicContact CG1-SD 3.84Å; V120-M124 WeakPolarHBondContact O-CB 3.24Å; V120-M124 VanDerWaalsContact O-CG 3.26Å; V120-M124 WeakPolarHBondContact O-CG 3.34Å; V120-M124 PolarHBondContact O-N 3.49Å
121	R	92.3	Very high	94	Very high	122 Å²	122	90.5 Å²	90.5	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-43.6	177.6	-78.7	-178.8	-68.2	-176.2	7.2	112.6	L115 A116 D117 A118 E119 M124 K125	L115-R121 WeakPolarHBondContact O-CD 3.5Å; L115-R121 PolarHBondContact O-NE 2.97Å; A116-R121 PolarHBondContact O-NH2 2.92Å; D117-R121 WeakPolarHBondContact O-CB 3.11Å; D117-R121 VanDerWaalsContact O-CG 3.24Å; D117-R121 WeakPolarHBondContact O-CG 3.29Å; D117-R121 PolarHBondContact O-N 3.02Å; D117-R121 PolarHBondContact O-NE 3.38Å; A118-R121 PolarHBondContact O-N 3.37Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.5Å; R121-M124 PolarHBondContact O-N 2.9Å; R121-K125 WeakPolarHBondContact O-CB 3.06Å; R121-K125 PolarHBondContact O-N 3.45Å
122	Q	94.5	Very high	94.1	Very high	117 Å²	117	90.9 Å²	90.9	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-48	177.8	-175.9	-180	4.8	0	0	111	A118 E119 V120 M124 K125 Q126	A118-Q122 PolarHBondContact O-N 3.17Å; E119-Q122 PolarHBondContact O-N 3.4Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-Q122 PolarHBondContact O-N 2.98Å; Q122-M124 PolarHBondContact O-N 3.25Å; Q122-K125 PolarHBondContact O-N 3.36Å; Q122-Q126 WeakPolarHBondContact O-CG 3.49Å; Q122-Q126 PolarHBondContact O-N 3.42Å
123	R	92.4	Very high	94.1	Very high	119 Å²	119	89.5 Å²	89.5	45%	0.449	45%	0.452	S	S	.	.	H	α-helix	trans	-61	-44.3	177.6	-71.8	177.7	-174.5	158.2	10.1	111.7	E119 V120 K125 Q126 K127	E119-R123 WeakPolarHBondContact O-CG 3.3Å; E119-R123 PolarHBondContact O-N 3.47Å; E119-R123 IonicContact OE2-NH2 3.57Å; V120-R123 PolarHBondContact O-N 2.89Å; R123-K125 VanDerWaalsContact C-N 3.34Å; R123-K125 PolarHBondContact O-N 3.36Å; R123-Q126 PolarHBondContact O-N 2.85Å; R123-K127 WeakPolarHBondContact O-CB 3.26Å; R123-K127 PolarHBondContact O-N 3.34Å
124	M	92.9	Very high	94.2	Very high	72 Å²	72	89.5 Å²	89.5	36%	0.355	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.4	-74.5	179.8	-179.7	0	0	112	I66 L114 V120 R121 Q122 K127 Y128	I66-M124 HydrophobicContact CG1-CE 4.4Å; I66-M124 HydrophobicContact CG2-CE 4.02Å; L114-M124 HydrophobicContact CD1-CE 4.13Å; L114-M124 HydrophobicContact CD2-CE 3.64Å; L114-M124 HydrophobicContact CG-CE 3.85Å; V120-M124 HydrophobicContact CG1-CE 3.29Å; V120-M124 HydrophobicContact CG1-CG 4.26Å; V120-M124 HydrophobicContact CG1-SD 3.84Å; V120-M124 WeakPolarHBondContact O-CB 3.24Å; V120-M124 VanDerWaalsContact O-CG 3.26Å; V120-M124 WeakPolarHBondContact O-CG 3.34Å; V120-M124 PolarHBondContact O-N 3.49Å; R121-M124 PolarHBondContact O-N 2.9Å; Q122-M124 PolarHBondContact O-N 3.25Å; M124-K127 PolarHBondContact O-N 3.02Å; M124-Y128 VanDerWaalsContact O-CB 3.25Å; M124-Y128 WeakPolarHBondContact O-CB 3.29Å; M124-Y128 PolarHBondContact O-N 3.07Å
125	K	94.5	Very high	94.3	Very high	165 Å²	165	94.9 Å²	94.9	72%	0.717	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-44.4	176.8	-177	177.3	177.1	-179.4	0	111.6	R121 Q122 R123 Y128 S129	R121-K125 WeakPolarHBondContact O-CB 3.06Å; R121-K125 PolarHBondContact O-N 3.45Å; Q122-K125 PolarHBondContact O-N 3.36Å; R123-K125 VanDerWaalsContact C-N 3.34Å; R123-K125 PolarHBondContact O-N 3.36Å; K125-Y128 PolarHBondContact O-N 2.77Å; K125-S129 PolarHBondContact O-N 2.93Å; K125-S129 VanDerWaalsContact O-N 3.09Å
126	Q	95.4	Very high	94.4	Very high	110 Å²	110	93.6 Å²	93.6	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-45.7	175.6	-71.5	172.6	-7.1	0	0	111.5	Q122 R123 Y128 S129 E130	Q122-Q126 WeakPolarHBondContact O-CG 3.49Å; Q122-Q126 PolarHBondContact O-N 3.42Å; R123-Q126 PolarHBondContact O-N 2.85Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 PolarHBondContact O-N 2.8Å; Q126-S129 PolarHBondContact O-N 2.77Å; Q126-S129 PolarHBondContact O-OG 3.43Å; Q126-E130 PolarHBondContact O-N 3.13Å
127	K	93.8	Very high	94.3	Very high	102 Å²	102	94.9 Å²	94.9	44%	0.443	46%	0.463	S	S	.	.	H	α-helix	trans	-65.7	-37.1	179.8	-168.6	60.5	179.9	177.3	0	111.9	R123 M124 E130 I131	R123-K127 WeakPolarHBondContact O-CB 3.26Å; R123-K127 PolarHBondContact O-N 3.34Å; M124-K127 PolarHBondContact O-N 3.02Å; K127-E130 VanDerWaalsContact CD-OE2 3.3Å; K127-E130 WeakPolarHBondContact CD-OE2 3.38Å; K127-E130 IonicContact NZ-OE1 2.69Å; K127-E130 PolarHBondContact NZ-OE1 3.24Å; K127-E130 IonicContact NZ-OE2 2.73Å; K127-E130 PolarHBondContact NZ-OE2 3Å; K127-E130 PolarHBondContact O-N 3.27Å; K127-I131 HydrophobicContact CG-CD1 3.98Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.5Å; K127-I131 PolarHBondContact O-N 3.47Å
128	Y	95.3	Very high	94.3	Very high	172 Å²	172	99.3 Å²	99.3	68%	0.675	48%	0.475	S	S	*	.	H	α-helix	trans	-62.6	-45.4	175.3	179.5	-97.4	0	0	0	112	M124 K125 Q126 E130 I131 A132	M124-Y128 VanDerWaalsContact O-CB 3.25Å; M124-Y128 WeakPolarHBondContact O-CB 3.29Å; M124-Y128 PolarHBondContact O-N 3.07Å; K125-Y128 PolarHBondContact O-N 2.77Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 PolarHBondContact O-N 2.8Å; Y128-E130 VanDerWaalsContact C-N 3.35Å; Y128-E130 PolarHBondContact O-N 3.33Å; Y128-I131 PolarHBondContact O-N 2.82Å; Y128-A132 WeakPolarHBondContact O-CB 3.43Å; Y128-A132 PolarHBondContact O-N 3.19Å
129	S	97.2	Very high	94.1	Very high	71 Å²	71	103.8 Å²	103.8	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-39	178.2	66.7	0	0	0	0	112.1	K125 Q126 A132 A133	K125-S129 PolarHBondContact O-N 2.93Å; K125-S129 VanDerWaalsContact O-N 3.09Å; Q126-S129 PolarHBondContact O-N 2.77Å; Q126-S129 PolarHBondContact O-OG 3.43Å; S129-A132 PolarHBondContact O-N 2.93Å; S129-A133 WeakPolarHBondContact O-CB 3.45Å; S129-A133 PolarHBondContact O-N 3.4Å
130	E	96.2	Very high	93.9	Very high	106 Å²	106	106.7 Å²	106.7	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-59.1	-50.4	173.2	-171.8	-158.5	136.3	0	0	111.4	Q126 K127 Y128 A132 A133 H134	Q126-E130 PolarHBondContact O-N 3.13Å; K127-E130 VanDerWaalsContact CD-OE2 3.3Å; K127-E130 WeakPolarHBondContact CD-OE2 3.38Å; K127-E130 IonicContact NZ-OE1 2.69Å; K127-E130 PolarHBondContact NZ-OE1 3.24Å; K127-E130 IonicContact NZ-OE2 2.73Å; K127-E130 PolarHBondContact NZ-OE2 3Å; K127-E130 PolarHBondContact O-N 3.27Å; Y128-E130 VanDerWaalsContact C-N 3.35Å; Y128-E130 PolarHBondContact O-N 3.33Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 3.25Å; E130-A133 PolarHBondContact O-N 2.93Å; E130-H134 VanDerWaalsContact O-CB 3.3Å; E130-H134 WeakPolarHBondContact O-CB 3.37Å; E130-H134 PolarHBondContact O-N 3.44Å
131	I	95.5	Very high	93.7	Very high	75 Å²	75	114.7 Å²	114.7	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-41.2	178.7	-68.7	166.8	0	0	0	110.9	K127 Y128 R135	K127-I131 HydrophobicContact CG-CD1 3.98Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.5Å; K127-I131 PolarHBondContact O-N 3.47Å; Y128-I131 PolarHBondContact O-N 2.82Å; I131-R135 VanDerWaalsContact O-CB 3.29Å; I131-R135 WeakPolarHBondContact O-CB 3.38Å; I131-R135 PolarHBondContact O-N 3.27Å
132	A	96.1	Very high	93.3	Very high	43 Å²	43	117.3 Å²	117.3	36%	0.355	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-45.9	178.4	0	0	0	0	0	111.8	Y128 S129 E130 R135 N136	Y128-A132 WeakPolarHBondContact O-CB 3.43Å; Y128-A132 PolarHBondContact O-N 3.19Å; S129-A132 PolarHBondContact O-N 2.93Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 3.25Å; A132-R135 PolarHBondContact O-N 3.45Å; A132-N136 WeakPolarHBondContact O-CB 3.33Å; A132-N136 PolarHBondContact O-N 3.46Å
133	A	96.5	Very high	92.8	Very high	63 Å²	63	119.6 Å²	119.6	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.3	0	0	0	0	0	111.5	S129 E130 R135 N136 N137	S129-A133 WeakPolarHBondContact O-CB 3.45Å; S129-A133 PolarHBondContact O-N 3.4Å; E130-A133 PolarHBondContact O-N 2.93Å; A133-R135 PolarHBondContact O-N 3.48Å; A133-N136 PolarHBondContact O-N 3.35Å; A133-N137 WeakPolarHBondContact O-CB 3.41Å; A133-N137 PolarHBondContact O-N 2.84Å
134	H	95.8	Very high	91.9	Very high	92 Å²	92	116 Å²	116	43%	0.426	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-39.2	176.6	169.2	-113.1	0	0	0	112.4	E130 N137 R138	E130-H134 VanDerWaalsContact O-CB 3.3Å; E130-H134 WeakPolarHBondContact O-CB 3.37Å; E130-H134 PolarHBondContact O-N 3.44Å; H134-N137 PolarHBondContact O-N 3.38Å; H134-R138 PolarHBondContact CE1-NE 2.83Å; H134-R138 PolarHBondContact CE1-NH2 2.94Å; H134-R138 PolarHBondContact NE2-NE 3.31Å; H134-R138 PolarHBondContact NE2-NH2 3.42Å; H134-R138 VanDerWaalsContact NE2-NH2 3.18Å; H134-R138 WeakPolarHBondContact O-CG 3.31Å; H134-R138 PolarHBondContact O-N 3.35Å
135	R	95	Very high	90.7	Very high	148 Å²	148	122.3 Å²	122.3	56%	0.558	56%	0.561	S	S	*	*	H	α-helix	trans	-62.5	-42.3	173.1	-175.9	-177.1	-70.1	178.9	-1.6	111.6	I131 A132 A133 R138 R139	I131-R135 VanDerWaalsContact O-CB 3.29Å; I131-R135 WeakPolarHBondContact O-CB 3.38Å; I131-R135 PolarHBondContact O-N 3.27Å; A132-R135 PolarHBondContact O-N 3.45Å; A133-R135 PolarHBondContact O-N 3.48Å; R135-R138 PolarHBondContact O-N 3.3Å; R135-R139 WeakPolarHBondContact O-CG 3.25Å; R135-R139 PolarHBondContact O-N 2.98Å
136	N	93.4	Very high	89.4	Confident	75 Å²	75	121.6 Å²	121.6	40%	0.401	56%	0.56	S	S	.	*	H	α-helix	trans	-63.7	-45.7	176.2	-172.9	18.2	0	0	0	111.4	A132 A133 R138 R139 R140	A132-N136 WeakPolarHBondContact O-CB 3.33Å; A132-N136 PolarHBondContact O-N 3.46Å; A133-N136 PolarHBondContact O-N 3.35Å; N136-R138 PolarHBondContact O-N 3.25Å; N136-R139 WeakPolarHBondContact O-CB 3.5Å; N136-R139 PolarHBondContact O-N 3.39Å; N136-R139 VanDerWaalsContact O-N 3.16Å; N136-R140 WeakPolarHBondContact O-CG 3.35Å; N136-R140 PolarHBondContact O-N 3.29Å
137	N	93.3	Very high	88	Confident	72 Å²	72	121.2 Å²	121.2	39%	0.385	57%	0.568	S	S	.	*	H	α-helix	trans	-58.4	-46.9	175.6	-170.9	-28.6	0	0	0	111.5	A133 H134 R139 R140 R141	A133-N137 WeakPolarHBondContact O-CB 3.41Å; A133-N137 PolarHBondContact O-N 2.84Å; H134-N137 PolarHBondContact O-N 3.38Å; N137-R139 VanDerWaalsContact C-N 3.32Å; N137-R139 PolarHBondContact O-N 2.86Å; N137-R140 PolarHBondContact O-N 3.05Å; N137-R141 WeakPolarHBondContact O-CG 3.41Å; N137-R141 PolarHBondContact O-N 3.09Å; N137-R141 WeakPolarHBondContact OD1-CD 3.39Å; N137-R141 PolarHBondContact OD1-NE 3.46Å
138	R	92.2	Very high	86.7	Confident	162 Å²	162	125.8 Å²	125.8	61%	0.611	59%	0.587	S	S	*	*	H	α-helix	trans	-57.6	-42.3	174.8	-75.6	-172.7	-175	-165.8	-1.8	112.8	H134 R135 N136 R141 K142	H134-R138 PolarHBondContact CE1-NE 2.83Å; H134-R138 PolarHBondContact CE1-NH2 2.94Å; H134-R138 PolarHBondContact NE2-NE 3.31Å; H134-R138 PolarHBondContact NE2-NH2 3.42Å; H134-R138 VanDerWaalsContact NE2-NH2 3.18Å; H134-R138 WeakPolarHBondContact O-CG 3.31Å; H134-R138 PolarHBondContact O-N 3.35Å; R135-R138 PolarHBondContact O-N 3.3Å; N136-R138 PolarHBondContact O-N 3.25Å; R138-R141 PolarHBondContact O-N 2.9Å; R138-K142 WeakPolarHBondContact O-CB 3.37Å; R138-K142 PolarHBondContact O-N 2.96Å
139	R	90.5	Very high	85.4	Confident	155 Å²	155	127.6 Å²	127.6	59%	0.585	59%	0.593	S	S	*	*	H	α-helix	trans	-62.6	-47.9	175.3	-73.4	178.5	178	-176.5	-2	111.2	R135 N136 N137 R141 K142 F143	R135-R139 WeakPolarHBondContact O-CG 3.25Å; R135-R139 PolarHBondContact O-N 2.98Å; N136-R139 WeakPolarHBondContact O-CB 3.5Å; N136-R139 PolarHBondContact O-N 3.39Å; N136-R139 VanDerWaalsContact O-N 3.16Å; N137-R139 VanDerWaalsContact C-N 3.32Å; N137-R139 PolarHBondContact O-N 2.86Å; R139-R141 VanDerWaalsContact C-N 3.29Å; R139-R141 PolarHBondContact O-N 2.97Å; R139-K142 PolarHBondContact O-N 3Å; R139-K142 VanDerWaalsContact O-N 3.14Å; R139-F143 VanDerWaalsContact O-CD2 3.23Å; R139-F143 WeakPolarHBondContact O-CD2 3.24Å; R139-F143 PolarHBondContact O-N 3.47Å
140	R	87.9	Confident	84.1	Confident	176 Å²	176	135.6 Å²	135.6	66%	0.664	61%	0.612	S	S	*	*	H	α-helix	trans	-58.7	-37.9	176.5	-70.5	179.4	-178.6	-171.7	-3.2	112.5	N136 N137 G144	N136-R140 WeakPolarHBondContact O-CG 3.35Å; N136-R140 PolarHBondContact O-N 3.29Å; N137-R140 PolarHBondContact O-N 3.05Å; R140-G144 WeakPolarHBondContact O-CA 3.5Å; R140-G144 PolarHBondContact O-N 3.48Å
141	R	86.5	Confident	82.4	Confident	192 Å²	192	139 Å²	139	73%	0.725	63%	0.628	S	S	*	*	H	α-helix	trans	-69.7	-37.9	175.1	-70.8	179.3	179	-177.2	-1.2	112.9	N137 R138 R139	N137-R141 WeakPolarHBondContact O-CG 3.41Å; N137-R141 PolarHBondContact O-N 3.09Å; N137-R141 WeakPolarHBondContact OD1-CD 3.39Å; N137-R141 PolarHBondContact OD1-NE 3.46Å; R138-R141 PolarHBondContact O-N 2.9Å; R139-R141 VanDerWaalsContact C-N 3.29Å; R139-R141 PolarHBondContact O-N 2.97Å
142	K	85.4	Confident	81.1	Confident	176 Å²	176	140.2 Å²	140.2	77%	0.765	65%	0.649	S	S	*	*	H	α-helix	trans	-70.3	-37.2	179.2	-170.4	177.7	-179.1	-178	0	112.8	R138 R139	R138-K142 WeakPolarHBondContact O-CB 3.37Å; R138-K142 PolarHBondContact O-N 2.96Å; R139-K142 PolarHBondContact O-N 3Å; R139-K142 VanDerWaalsContact O-N 3.14Å
143	F	83.1	Confident	79.4	Confident	166 Å²	166	153.2 Å²	153.2	73%	0.728	69%	0.689	S	S	*	*	H	α-helix	trans	-99.6	-8.5	179.8	-63.8	-71.9	0	0	0	113.8	R139 K145	R139-F143 VanDerWaalsContact O-CD2 3.23Å; R139-F143 WeakPolarHBondContact O-CD2 3.24Å; R139-F143 PolarHBondContact O-N 3.47Å; F143-K145 PolarHBondContact O-N 2.99Å
144	G	72.9	Confident	78.5	Confident	44 Å²	44	157.8 Å²	157.8	45%	0.454	70%	0.697	S	S	.	*	S	Bend	trans	-66.8	126.9	175.9	0	0	0	0	0	109.3	R140 H146	R140-G144 WeakPolarHBondContact O-CA 3.5Å; R140-G144 PolarHBondContact O-N 3.48Å; G144-H146 PolarHBondContact O-N 2.86Å
145	K	68.6	Low	77.6	Confident	204 Å²	204	161.2 Å²	161.2	89%	0.887	71%	0.712	S	S	*	*			trans	-49.3	113.9	178.2	-66	177.6	179.6	177.6	0	108.9	F143 P147	F143-K145 PolarHBondContact O-N 2.99Å; K145-P147 WeakPolarHBondContact O-CD 3.16Å; K145-P147 VanDerWaalsContact O-N 3.17Å
146	H	66.5	Low	76.7	Confident	149 Å²	149	161.9 Å²	161.9	69%	0.69	72%	0.72	S	S	*	*			trans	-56.8	122.8	166.5	-157.7	-32.5	0	0	0	105.7	G144 K148	G144-H146 PolarHBondContact O-N 2.86Å; H146-K148 PolarHBondContact O-N 3.39Å
147	P	66.4	Low	75.7	Confident	103 Å²	103	167.1 Å²	167.1	67%	0.669	74%	0.739	S	S	*	*			trans	-55.2	118.9	176	19.2	-30.1	0	0	0	106.7	K145 R149	K145-P147 WeakPolarHBondContact O-CD 3.16Å; K145-P147 VanDerWaalsContact O-N 3.17Å; P147-R149 PolarHBondContact O-N 3.19Å
148	K	67.3	Low	74.6	Confident	197 Å²	197	173 Å²	173	86%	0.857	76%	0.761	S	S	*	*			trans	-50.9	116	173.8	-74.3	-175.5	177.2	-177.1	0	104.8	H146 R150	H146-K148 PolarHBondContact O-N 3.39Å; K148-R150 VanDerWaalsContact C-N 3.3Å; K148-R150 PolarHBondContact O-N 3.44Å
149	R	67.1	Low	73.4	Confident	211 Å²	211	173.7 Å²	173.7	80%	0.796	77%	0.771	S	S	*	*			trans	-54.1	104.9	172.6	-70.3	-177.2	178.7	-176.7	-1	104.8	P147 H151	P147-R149 PolarHBondContact O-N 3.19Å; R149-H151 VanDerWaalsContact C-N 3.34Å; R149-H151 PolarHBondContact O-N 3.33Å
150	R	69	Low	72.2	Confident	239 Å²	239	175.1 Å²	175.1	90%	0.902	78%	0.784	S	S	*	*			trans	-63.4	108.3	171.1	-73.6	180	133.6	-179.2	-4.9	103.3	K148 A152	K148-R150 VanDerWaalsContact C-N 3.3Å; K148-R150 PolarHBondContact O-N 3.44Å; R150-A152 VanDerWaalsContact C-N 3.32Å; R150-A152 PolarHBondContact O-N 2.93Å
151	H	62.4	Low	71	Confident	177 Å²	177	175 Å²	175	82%	0.819	79%	0.794	S	S	*	*			trans	-57.5	105.9	169.7	-72.7	-81.2	0	0	0	105.5	R149 R153	R149-H151 VanDerWaalsContact C-N 3.34Å; R149-H151 PolarHBondContact O-N 3.33Å; H151-R153 PolarHBondContact O-N 3.26Å; H151-R153 VanDerWaalsContact O-N 3.13Å
152	A	66.4	Low	69.7	Low	101 Å²	101	173.6 Å²	173.6	84%	0.835	80%	0.799	S	S	*	*			trans	-62	113	166.9	0	0	0	0	0	105.3	R150	R150-A152 VanDerWaalsContact C-N 3.32Å; R150-A152 PolarHBondContact O-N 2.93Å
153	R	61.2	Low	68.3	Low	316 Å²	316	173.4 Å²	173.4	100%	1.192	80%	0.803	S	S	*	*			trans	-80.5	0	161.6	-89.5	-174.9	167	-153.6	-2.8	107.9	H151	H151-R153 PolarHBondContact O-N 3.26Å; H151-R153 VanDerWaalsContact O-N 3.13Å

Retrieved 153 of 153 residues in 83.9 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).