A0A087WU55_HUMAN Loading...

Myosin XIX

AlphaFold DB , UniProt , Accession A0A087WU55, Species HUMAN (Homo sapiens, Human), Gene MYO19, Length 176 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	39.2	Very low	43.4	Very low	248 Å²	248	153.3 Å²	153.3	100%	1.222	85%	0.85	S	S	*	*				0	92.4	0	-132.7	175.9	-162.4	0	0	106.8
2	L	37.8	Very low	44.3	Very low	179 Å²	179	147.2 Å²	147.2	94%	0.937	83%	0.825	S	S	*	*			trans	-122	110.5	178.5	-84.1	161.2	0	0	0	106.1
3	Q	41	Very low	45.2	Very low	192 Å²	192	144.2 Å²	144.2	90%	0.897	81%	0.806	S	S	*	*			trans	-100.9	110.4	173.8	-131.3	171.3	13.9	0	0	107.5
4	Q	43.4	Very low	46.1	Very low	189 Å²	189	137.1 Å²	137.1	88%	0.883	78%	0.782	S	S	*	*			trans	-72.5	128.2	167.2	-73.9	-175	-20	0	0	108.7
5	V	43.5	Very low	47.1	Very low	138 Å²	138	136.1 Å²	136.1	84%	0.836	77%	0.768	S	S	*	*			trans	-104.9	105.4	165	-178.9	0	0	0	0	106.3
6	N	46.7	Very low	48.1	Very low	166 Å²	166	130.6 Å²	130.6	89%	0.888	75%	0.745	S	S	*	*			trans	-140.6	117.6	165.2	-115.6	-2.3	0	0	0	108.3
7	G	38.4	Very low	49.1	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	74%	0.741	S	S	*	*			trans	-161.1	63.3	179.6	0	0	0	0	0	110.4
8	H	48	Very low	50.3	Low	190 Å²	190	133.1 Å²	133.1	88%	0.88	73%	0.733	S	S	*	*			trans	-84.9	114.1	160.8	-126.8	69.7	0	0	0	106.7	P10	H8-P10 WeakPolarHBondContact O-CD 3.4Å
9	N	45.2	Very low	51.3	Low	144 Å²	144	133.2 Å²	133.2	77%	0.77	72%	0.722	S	S	*	*			trans	-97.8	107.1	-177.8	-146.7	6.1	0	0	0	108.2	G11	N9-G11 VanDerWaalsContact C-N 3.27Å; N9-G11 PolarHBondContact O-N 2.95Å
10	P	45.3	Very low	52.3	Low	116 Å²	116	130.8 Å²	130.8	75%	0.753	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	2.8	-174.5	11.7	3.7	0	0	0	113.6	H8	H8-P10 WeakPolarHBondContact O-CD 3.4Å
11	G	49	Very low	53.3	Low	51 Å²	51	133.3 Å²	133.3	53%	0.526	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-17.8	-169.2	0	0	0	0	0	116.8	N9	N9-G11 VanDerWaalsContact C-N 3.27Å; N9-G11 PolarHBondContact O-N 2.95Å
12	S	53.5	Low	54.9	Low	80 Å²	80	127.2 Å²	127.2	56%	0.559	68%	0.676	S	S	*	*	H	α-helix	trans	-81.3	-26.4	-176.5	59.8	0	0	0	0	114	A16	S12-A16 PolarHBondContact O-N 3.26Å
13	D	56.1	Low	56.4	Low	108 Å²	108	122.6 Å²	122.6	58%	0.578	65%	0.652	S	S	*	*	H	α-helix	trans	-76	-28.5	-175.1	-84.5	6.3	0	0	0	113.1	R17	D13-R17 WeakPolarHBondContact O-CB 3.32Å; D13-R17 WeakPolarHBondContact O-CD 3.48Å; D13-R17 WeakPolarHBondContact O-CG 3.34Å; D13-R17 PolarHBondContact O-N 2.88Å
14	G	58.8	Low	57.9	Low	45 Å²	45	114.6 Å²	114.6	46%	0.464	62%	0.616	S	S	.	*	H	α-helix	trans	-70.5	-46.8	179.5	0	0	0	0	0	112.3	R17 E18	G14-R17 PolarHBondContact O-N 2.78Å; G14-E18 PolarHBondContact O-N 3.41Å
15	Q	60.1	Low	59.2	Low	122 Å²	122	112.6 Å²	112.6	57%	0.57	61%	0.606	S	S	*	*	H	α-helix	trans	-68.2	-43.7	-177.6	-127.9	171.3	-1.3	0	0	111.9	R17 E18 Y19	Q15-R17 VanDerWaalsContact C-N 3.25Å; Q15-R17 PolarHBondContact O-N 2.78Å; Q15-E18 PolarHBondContact O-N 2.89Å; Q15-Y19 HydrophobicContact CG-CE2 4.05Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.34Å; Q15-Y19 PolarHBondContact O-N 3.39Å; Q15-Y19 VanDerWaalsContact O-N 3.12Å
16	A	62.9	Low	60.7	Low	49 Å²	49	113 Å²	113	41%	0.405	60%	0.599	S	S	.	*	H	α-helix	trans	-61.3	-33.8	176.9	0	0	0	0	0	112.8	S12 L20	S12-A16 PolarHBondContact O-N 3.26Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 WeakPolarHBondContact O-CD1 3.48Å; A16-L20 VanDerWaalsContact O-CG 3.23Å; A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 2.94Å; A16-L20 VanDerWaalsContact O-N 3.1Å
17	R	65.7	Low	61.9	Low	178 Å²	178	106.2 Å²	106.2	67%	0.672	56%	0.562	S	S	*	*	H	α-helix	trans	-72.6	-31.9	177.1	-77.8	178	174.4	-171.2	1.2	113.5	D13 G14 Q15 R21	D13-R17 WeakPolarHBondContact O-CB 3.32Å; D13-R17 WeakPolarHBondContact O-CD 3.48Å; D13-R17 WeakPolarHBondContact O-CG 3.34Å; D13-R17 PolarHBondContact O-N 2.88Å; G14-R17 PolarHBondContact O-N 2.78Å; Q15-R17 VanDerWaalsContact C-N 3.25Å; Q15-R17 PolarHBondContact O-N 2.78Å; R17-R21 WeakPolarHBondContact O-CB 3.19Å; R17-R21 WeakPolarHBondContact O-CG 3.28Å; R17-R21 PolarHBondContact O-N 3Å; R17-R21 VanDerWaalsContact O-N 3.17Å
18	E	70.9	Confident	63.5	Low	127 Å²	127	105.6 Å²	105.6	59%	0.593	54%	0.541	S	S	*	.	H	α-helix	trans	-71.2	-46.8	174.2	-76.2	-172	156.4	0	0	111.3	G14 Q15 L20 R21 E22	G14-E18 PolarHBondContact O-N 3.41Å; Q15-E18 PolarHBondContact O-N 2.89Å; E18-L20 PolarHBondContact O-N 2.92Å; E18-R21 WeakPolarHBondContact O-CA 3.47Å; E18-R21 WeakPolarHBondContact O-CB 3.17Å; E18-R21 PolarHBondContact O-N 3.07Å; E18-E22 PolarHBondContact O-N 3.33Å
19	Y	69.3	Low	64.3	Low	135 Å²	135	99.7 Å²	99.7	53%	0.529	53%	0.532	S	S	.	.	H	α-helix	trans	-57.5	-45.7	174.8	-74.5	-67.1	0	0	0	112.5	Q15 R21 E22 D23	Q15-Y19 HydrophobicContact CG-CE2 4.05Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.34Å; Q15-Y19 PolarHBondContact O-N 3.39Å; Q15-Y19 VanDerWaalsContact O-N 3.12Å; Y19-R21 VanDerWaalsContact C-N 3.27Å; Y19-R21 PolarHBondContact O-N 2.96Å; Y19-E22 PolarHBondContact O-N 3.22Å; Y19-D23 PolarHBondContact O-N 3.19Å
20	L	70.4	Confident	65.1	Low	85 Å²	85	94.6 Å²	94.6	45%	0.445	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-36	175.6	-75.4	167.6	0	0	0	112.3	A16 E18 L24	A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 WeakPolarHBondContact O-CD1 3.48Å; A16-L20 VanDerWaalsContact O-CG 3.23Å; A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 2.94Å; A16-L20 VanDerWaalsContact O-N 3.1Å; E18-L20 PolarHBondContact O-N 2.92Å; L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 2.93Å; L20-L24 WeakPolarHBondContact O-CD1 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.13Å; L20-L24 PolarHBondContact O-N 3.38Å
21	R	74.1	Confident	65.7	Low	185 Å²	185	98.4 Å²	98.4	70%	0.698	52%	0.521	S	S	*	.	H	α-helix	trans	-67.9	-40.9	176.7	-90.9	179.9	164.8	-118.6	-1.8	112	R17 E18 Y19 L24 Q25	R17-R21 WeakPolarHBondContact O-CB 3.19Å; R17-R21 WeakPolarHBondContact O-CG 3.28Å; R17-R21 PolarHBondContact O-N 3Å; R17-R21 VanDerWaalsContact O-N 3.17Å; E18-R21 WeakPolarHBondContact O-CA 3.47Å; E18-R21 WeakPolarHBondContact O-CB 3.17Å; E18-R21 PolarHBondContact O-N 3.07Å; Y19-R21 VanDerWaalsContact C-N 3.27Å; Y19-R21 PolarHBondContact O-N 2.96Å; R21-L24 PolarHBondContact O-N 3.14Å; R21-Q25 WeakPolarHBondContact O-CB 3.31Å; R21-Q25 PolarHBondContact O-N 3.11Å
22	E	72.4	Confident	66.3	Low	119 Å²	119	99.3 Å²	99.3	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-48.6	176.7	-69.4	176.9	176.9	0	0	111.1	E18 Y19 L24 Q25 E26	E18-E22 PolarHBondContact O-N 3.33Å; Y19-E22 PolarHBondContact O-N 3.22Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 2.98Å; E22-Q25 PolarHBondContact O-N 3.45Å; E22-Q25 VanDerWaalsContact O-N 3.07Å; E22-E26 PolarHBondContact O-N 3.11Å
23	D	70	Confident	67.4	Low	83 Å²	83	99.2 Å²	99.2	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-40	176.1	-71	-14.7	0	0	0	112.1	Y19 F27	Y19-D23 PolarHBondContact O-N 3.19Å; D23-F27 VanDerWaalsContact O-CB 3.31Å; D23-F27 WeakPolarHBondContact O-CB 3.34Å; D23-F27 PolarHBondContact O-N 3.18Å
24	L	72	Confident	68.9	Low	24 Å²	24	95.2 Å²	95.2	13%	0.126	49%	0.487	C	S	.	.	H	α-helix	trans	-64.1	-42.7	175.2	-76.6	169.3	0	0	0	111.7	L20 R21 E22 F27 L28 P45 T47 T50	L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 2.93Å; L20-L24 WeakPolarHBondContact O-CD1 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.13Å; L20-L24 PolarHBondContact O-N 3.38Å; R21-L24 PolarHBondContact O-N 3.14Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 2.98Å; L24-F27 PolarHBondContact O-N 2.75Å; L24-L28 VanDerWaalsContact O-CB 3.28Å; L24-L28 WeakPolarHBondContact O-CB 3.05Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.15Å; L24-P45 HydrophobicContact CD2-CG 3.62Å; L24-P45 HydrophobicContact CG-CG 4Å; L24-T47 HydrophobicContact CD2-CG2 4.23Å; L24-T50 HydrophobicContact CD2-CG2 3.21Å
25	Q	71.9	Confident	70.2	Confident	146 Å²	146	97.2 Å²	97.2	68%	0.682	48%	0.481	S	S	*	.	H	α-helix	trans	-72.3	-34.4	-176.3	-156.7	159.8	-5.3	0	0	111.4	R21 E22 G29	R21-Q25 WeakPolarHBondContact O-CB 3.31Å; R21-Q25 PolarHBondContact O-N 3.11Å; E22-Q25 PolarHBondContact O-N 3.45Å; E22-Q25 VanDerWaalsContact O-N 3.07Å; Q25-G29 WeakPolarHBondContact O-CA 3.5Å; Q25-G29 PolarHBondContact O-N 2.99Å
26	E	73.4	Confident	71.7	Confident	147 Å²	147	97.1 Å²	97.1	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-66.7	-47.2	169.2	-173.1	178.8	177.1	0	0	111.6	E22 L28 G29 G30	E22-E26 PolarHBondContact O-N 3.11Å; E26-L28 VanDerWaalsContact C-N 3.35Å; E26-L28 PolarHBondContact O-N 2.85Å; E26-G29 PolarHBondContact O-N 2.71Å; E26-G30 PolarHBondContact O-N 3.46Å
27	F	73.3	Confident	73.1	Confident	24 Å²	24	96.2 Å²	96.2	11%	0.105	47%	0.467	C	S	.	.	H	α-helix	trans	-61.6	-41.9	178.7	177.9	-102.4	0	0	0	112.8	D23 L24 L34 L37 V43 N44 T50	D23-F27 VanDerWaalsContact O-CB 3.31Å; D23-F27 WeakPolarHBondContact O-CB 3.34Å; D23-F27 PolarHBondContact O-N 3.18Å; L24-F27 PolarHBondContact O-N 2.75Å; F27-L34 HydrophobicContact CD1-CD2 4.47Å; F27-L34 HydrophobicContact CE1-CD2 3.54Å; F27-L34 HydrophobicContact CE2-CD2 4.1Å; F27-L34 HydrophobicContact CZ-CD2 3.31Å; F27-L37 HydrophobicContact CZ-CD1 4.22Å; F27-V43 HydrophobicContact CE1-CG1 3.83Å; F27-V43 HydrophobicContact CZ-CB 4.41Å; F27-V43 HydrophobicContact CZ-CG1 3.68Å; F27-N44 WeakPolarHBondContact CB-O 3.49Å; F27-N44 WeakPolarHBondContact CD2-O 3.26Å; F27-N44 WeakPolarHBondContact CG-O 3.35Å; F27-T50 HydrophobicContact CD1-CG2 3.6Å; F27-T50 HydrophobicContact CE1-CG2 3.89Å
28	L	71.1	Confident	74.6	Confident	59 Å²	59	89.8 Å²	89.8	31%	0.309	45%	0.446	S	S	.	.	H	α-helix	trans	-78.7	-23.5	178.7	-65.4	175.4	0	0	0	113	L24 E26 L34 E49 R53	L24-L28 VanDerWaalsContact O-CB 3.28Å; L24-L28 WeakPolarHBondContact O-CB 3.05Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.15Å; E26-L28 VanDerWaalsContact C-N 3.35Å; E26-L28 PolarHBondContact O-N 2.85Å; L28-L34 HydrophobicContact CD2-CD1 4.46Å; L28-E49 HydrophobicContact CD1-CG 4.43Å; L28-R53 HydrophobicContact CD2-CB 3.84Å; L28-R53 HydrophobicContact CD2-CG 3.75Å
29	G	64.4	Low	75.8	Confident	67 Å²	67	85.3 Å²	85.3	69%	0.691	43%	0.426	S	S	*	.	H	α-helix	trans	-92.2	-20.9	179.5	0	0	0	0	0	114.3	Q25 E26	Q25-G29 WeakPolarHBondContact O-CA 3.5Å; Q25-G29 PolarHBondContact O-N 2.99Å; E26-G29 PolarHBondContact O-N 2.71Å
30	G	62.4	Low	77	Confident	37 Å²	37	79.5 Å²	79.5	38%	0.381	40%	0.404	S	S	.	.	S	Bend	trans	-71.4	152.8	179	0	0	0	0	0	112.7	E26 V32	E26-G30 PolarHBondContact O-N 3.46Å; G30-V32 PolarHBondContact O-N 3.03Å
31	E	57.3	Low	78.1	Confident	195 Å²	195	79.3 Å²	79.3	91%	0.911	41%	0.407	S	S	*	.	S	Bend	trans	-64.6	20.1	174.4	-61.1	-173.1	156.1	0	0	114	L33	E31-L33 PolarHBondContact O-N 3.33Å
32	V	62.2	Low	79	Confident	70 Å²	70	79.5 Å²	79.5	42%	0.424	41%	0.408	S	S	.	.			trans	-65.5	107.5	169.2	-177.4	0	0	0	0	106.4	G30 L34 L37	G30-V32 PolarHBondContact O-N 3.03Å; V32-L34 HydrophobicContact CB-CD2 4.4Å; V32-L34 HydrophobicContact CG1-CD2 4.03Å; V32-L34 PolarHBondContact O-N 3.17Å; V32-L37 HydrophobicContact CG1-CD1 4.23Å
33	L	77.8	Confident	79.8	Confident	79 Å²	79	74 Å²	74	41%	0.414	38%	0.382	S	S	.	.			trans	-65.9	83.3	170.4	-62.8	168.1	0	0	0	107.1	E31 Y35 K36	E31-L33 PolarHBondContact O-N 3.33Å; L33-Y35 HydrophobicContact CB-CD1 3.96Å; L33-Y35 HydrophobicContact CB-CE1 3.55Å; L33-Y35 HydrophobicContact CD1-CE1 4.35Å; L33-Y35 HydrophobicContact CD2-CD1 4.44Å; L33-Y35 HydrophobicContact CD2-CE1 3.51Å; L33-Y35 HydrophobicContact CG-CE1 3.96Å; L33-Y35 PolarHBondContact O-N 3.02Å; L33-K36 HydrophobicContact CB-CB 4.43Å; L33-K36 HydrophobicContact CB-CD 3.92Å; L33-K36 HydrophobicContact CB-CG 3.92Å; L33-K36 HydrophobicContact CD1-CD 3.79Å; L33-K36 VanDerWaalsContact CD1-CE 3.43Å; L33-K36 WeakPolarHBondContact O-CB 3.38Å; L33-K36 PolarHBondContact O-N 3.1Å
34	L	85.9	Confident	80.6	Confident	23 Å²	23	75.9 Å²	75.9	12%	0.12	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-51.2	-32	-174.8	-65.5	178.5	0	0	0	111.4	F27 L28 V32 K36 L37 R53 A57	F27-L34 HydrophobicContact CD1-CD2 4.47Å; F27-L34 HydrophobicContact CE1-CD2 3.54Å; F27-L34 HydrophobicContact CE2-CD2 4.1Å; F27-L34 HydrophobicContact CZ-CD2 3.31Å; L28-L34 HydrophobicContact CD2-CD1 4.46Å; V32-L34 HydrophobicContact CB-CD2 4.4Å; V32-L34 HydrophobicContact CG1-CD2 4.03Å; V32-L34 PolarHBondContact O-N 3.17Å; L34-K36 PolarHBondContact O-N 3.12Å; L34-K36 VanDerWaalsContact O-N 3.15Å; L34-L37 HydrophobicContact CD2-CD1 4.11Å; L34-L37 WeakPolarHBondContact O-CB 3.5Å; L34-L37 PolarHBondContact O-N 3.23Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L34-R53 HydrophobicContact CD1-CB 4.24Å; L34-A57 HydrophobicContact CB-CB 3.8Å
35	Y	87.2	Confident	81.3	Confident	88 Å²	88	75.4 Å²	75.4	35%	0.345	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.4	175.1	72.6	-98.6	0	0	0	114.6	L33 A57 R58 A61	L33-Y35 HydrophobicContact CB-CD1 3.96Å; L33-Y35 HydrophobicContact CB-CE1 3.55Å; L33-Y35 HydrophobicContact CD1-CE1 4.35Å; L33-Y35 HydrophobicContact CD2-CD1 4.44Å; L33-Y35 HydrophobicContact CD2-CE1 3.51Å; L33-Y35 HydrophobicContact CG-CE1 3.96Å; L33-Y35 PolarHBondContact O-N 3.02Å; Y35-A57 WeakPolarHBondContact CB-O 3.33Å; Y35-R58 WeakPolarHBondContact O-CG 3.5Å; Y35-R58 PolarHBondContact O-NH1 3.38Å; Y35-A61 HydrophobicContact CD2-CB 4.09Å; Y35-A61 HydrophobicContact CG-CB 3.97Å
36	K	90.8	Very high	82.2	Confident	120 Å²	120	73 Å²	73	52%	0.522	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-87.1	-9.1	177.1	-64	-172.5	174.9	171.9	0	113.6	L33 L34 D38	L33-K36 HydrophobicContact CB-CB 4.43Å; L33-K36 HydrophobicContact CB-CD 3.92Å; L33-K36 HydrophobicContact CB-CG 3.92Å; L33-K36 HydrophobicContact CD1-CD 3.79Å; L33-K36 VanDerWaalsContact CD1-CE 3.43Å; L33-K36 WeakPolarHBondContact O-CB 3.38Å; L33-K36 PolarHBondContact O-N 3.1Å; L34-K36 PolarHBondContact O-N 3.12Å; L34-K36 VanDerWaalsContact O-N 3.15Å; K36-D38 PolarHBondContact O-N 3.2Å
37	L	93.5	Very high	83	Confident	29 Å²	29	68 Å²	68	15%	0.152	37%	0.365	C	S	.	.			trans	-76.4	104.1	179	-69.7	174.4	0	0	0	110.5	F27 V32 L34 D39 V43 R58	F27-L37 HydrophobicContact CZ-CD1 4.22Å; V32-L37 HydrophobicContact CG1-CD1 4.23Å; L34-L37 HydrophobicContact CD2-CD1 4.11Å; L34-L37 WeakPolarHBondContact O-CB 3.5Å; L34-L37 PolarHBondContact O-N 3.23Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L37-D39 VanDerWaalsContact C-N 3.33Å; L37-V43 HydrophobicContact CD1-CG2 4.09Å; L37-R58 WeakPolarHBondContact O-CD 3.42Å; L37-R58 VanDerWaalsContact O-CZ 3.27Å; L37-R58 PolarHBondContact O-NH1 3.42Å
38	D	96	Very high	84	Confident	43 Å²	43	74.3 Å²	74.3	23%	0.23	40%	0.399	C	S	.	.			trans	-80.4	-12.7	-177.6	-71.7	-31.7	0	0	0	113.9	K36 R58 N67 K103 P104	K36-D38 PolarHBondContact O-N 3.2Å; D38-R58 IonicContact OD1-CZ 3.96Å; D38-R58 IonicContact OD1-NH1 2.83Å; D38-R58 PolarHBondContact OD1-NH1 3.31Å; D38-R58 IonicContact OD1-NH2 3.83Å; D38-R58 PolarHBondContact OD1-NH2 3.35Å; D38-N67 WeakPolarHBondContact O-CB 3.49Å; D38-N67 PolarHBondContact O-N 3.06Å; D38-K103 IonicContact OD1-NZ 2.68Å; D38-K103 PolarHBondContact OD1-NZ 3.04Å; D38-K103 VanDerWaalsContact OD2-CD 3.3Å; D38-K103 WeakPolarHBondContact OD2-CD 3.44Å; D38-K103 IonicContact OD2-NZ 2.63Å; D38-K103 PolarHBondContact OD2-NZ 2.81Å; D38-P104 HydrophobicContact CB-CG 3.58Å; D38-P104 WeakPolarHBondContact O-CG 3.39Å
39	D	96.3	Very high	84.9	Confident	34 Å²	34	75.8 Å²	75.8	18%	0.182	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-134.4	119.6	179.5	-167.4	-27.5	0	0	0	110.9	L37 T41 R42 N67 G69	L37-D39 VanDerWaalsContact C-N 3.33Å; D39-T41 PolarHBondContact O-N 3.45Å; D39-T41 WeakPolarHBondContact OD1-CB 3.23Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.07Å; D39-T41 PolarHBondContact OD1-N 2.63Å; D39-T41 PolarHBondContact OD1-OG1 2.9Å; D39-T41 PolarHBondContact OD2-OG1 3.34Å; D39-R42 HydrophobicContact CB-CG 4.15Å; D39-R42 WeakPolarHBondContact O-CB 3.43Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-R42 VanDerWaalsContact O-N 3.09Å; D39-N67 CarbonylContact C-O 3.6Å; D39-N67 WeakPolarHBondContact CA-O 3.42Å; D39-N67 HydrophobicContact CB-CB 4.1Å; D39-G69 PolarHBondContact OD1-N 3.1Å
40	L	95.7	Very high	86.1	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.063	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-64.9	-21.3	-179.3	-66	176.4	0	0	0	113	R42 V43 V51 C54 L55 T66 N67 A68 V73	L40-R42 PolarHBondContact O-N 3.27Å; L40-V43 HydrophobicContact CD2-CG2 4.31Å; L40-V43 WeakPolarHBondContact O-CB 3.23Å; L40-V43 WeakPolarHBondContact O-CG2 3.46Å; L40-V43 PolarHBondContact O-N 3.49Å; L40-V51 HydrophobicContact CD1-CG1 3.95Å; L40-V51 HydrophobicContact CD2-CG1 4.23Å; L40-C54 HydrophobicContact CD2-CB 4.12Å; L40-L55 HydrophobicContact CD1-CD1 4.33Å; L40-L55 HydrophobicContact CD1-CD2 4.15Å; L40-L55 HydrophobicContact CD1-CG 4.32Å; L40-L55 HydrophobicContact CD2-CD2 4.29Å; L40-L55 HydrophobicContact CD2-CG 4.21Å; L40-T66 HydrophobicContact CD2-CG2 4.02Å; L40-T66 HydrophobicContact CG-CG2 3.83Å; L40-N67 PolarHBondContact N-O 3.33Å; L40-A68 HydrophobicContact CB-CB 4.5Å; L40-A68 HydrophobicContact CD1-CB 4.32Å; L40-V73 HydrophobicContact CD1-CG2 4.09Å
41	T	93.6	Very high	87.7	Confident	82 Å²	82	72.4 Å²	72.4	50%	0.503	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-68.7	-13.8	174.6	64.1	0	0	0	0	112.9	D39	D39-T41 PolarHBondContact O-N 3.45Å; D39-T41 WeakPolarHBondContact OD1-CB 3.23Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.07Å; D39-T41 PolarHBondContact OD1-N 2.63Å; D39-T41 PolarHBondContact OD1-OG1 2.9Å; D39-T41 PolarHBondContact OD2-OG1 3.34Å
42	R	91.5	Very high	89.4	Confident	189 Å²	189	67.4 Å²	67.4	71%	0.713	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-94.7	-1.9	177.8	-57.8	-178.5	63.4	-176.6	-1.1	113.4	D39 L40	D39-R42 HydrophobicContact CB-CG 4.15Å; D39-R42 WeakPolarHBondContact O-CB 3.43Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-R42 VanDerWaalsContact O-N 3.09Å; L40-R42 PolarHBondContact O-N 3.27Å
43	V	90.1	Very high	90.9	Very high	2 Å²	2	70 Å²	70	1%	0.012	34%	0.344	C	S	.	.	S	Bend	trans	-69.6	132.9	172.1	174.7	0	0	0	0	108	F27 L37 L40 P45 V46 T50 C54	F27-V43 HydrophobicContact CE1-CG1 3.83Å; F27-V43 HydrophobicContact CZ-CB 4.41Å; F27-V43 HydrophobicContact CZ-CG1 3.68Å; L37-V43 HydrophobicContact CD1-CG2 4.09Å; L40-V43 HydrophobicContact CD2-CG2 4.31Å; L40-V43 WeakPolarHBondContact O-CB 3.23Å; L40-V43 WeakPolarHBondContact O-CG2 3.46Å; L40-V43 PolarHBondContact O-N 3.49Å; V43-P45 CarbonylContact O-C 3.36Å; V43-V46 WeakPolarHBondContact O-CG2 3.36Å; V43-V46 PolarHBondContact O-N 2.94Å; V43-T50 HydrophobicContact CG1-CG2 4.39Å; V43-T50 WeakPolarHBondContact CG1-OG1 3.41Å; V43-C54 HydrophobicContact CG2-CB 4.18Å
44	N	86.1	Confident	91.7	Very high	123 Å²	123	66.2 Å²	66.2	66%	0.658	32%	0.324	S	S	*	.	S	Bend	trans	-135.1	119.5	-177.3	-174.4	44.1	0	0	0	111	F27	F27-N44 WeakPolarHBondContact CB-O 3.49Å; F27-N44 WeakPolarHBondContact CD2-O 3.26Å; F27-N44 WeakPolarHBondContact CG-O 3.35Å
45	P	87.9	Confident	92.2	Very high	15 Å²	15	66.4 Å²	66.4	10%	0.097	33%	0.325	C	S	.	.	S	Bend	cis	-70.3	149.7	-3.7	29.6	-35.3	0	0	0	112	L24 V43 T47 T50	L24-P45 HydrophobicContact CD2-CG 3.62Å; L24-P45 HydrophobicContact CG-CG 4Å; V43-P45 CarbonylContact O-C 3.36Å; P45-T47 HydrophobicContact CB-CG2 3.93Å; P45-T47 HydrophobicContact CG-CG2 3.95Å; P45-T47 PolarHBondContact O-N 2.91Å; P45-T47 VanDerWaalsContact O-N 3.09Å; P45-T50 HydrophobicContact CG-CG2 4.43Å; P45-T50 WeakPolarHBondContact O-CB 3.4Å; P45-T50 WeakPolarHBondContact O-CG2 3.3Å; P45-T50 PolarHBondContact O-OG1 2.68Å
46	V	90.1	Very high	92.6	Very high	96 Å²	96	66.5 Å²	66.5	58%	0.582	33%	0.329	S	S	*	.			trans	-75.5	96.9	171.8	-175.7	0	0	0	0	108.6	V43 V51	V43-V46 WeakPolarHBondContact O-CG2 3.36Å; V43-V46 PolarHBondContact O-N 2.94Å; V46-V51 HydrophobicContact CG1-CG2 4.32Å
47	T	90.8	Very high	92.7	Very high	42 Å²	42	62 Å²	62	26%	0.258	32%	0.315	S	S	.	.			trans	-131.2	165.5	177.5	74.9	0	0	0	0	110.3	L24 P45 E49 T50 V51	L24-T47 HydrophobicContact CD2-CG2 4.23Å; P45-T47 HydrophobicContact CB-CG2 3.93Å; P45-T47 HydrophobicContact CG-CG2 3.95Å; P45-T47 PolarHBondContact O-N 2.91Å; P45-T47 VanDerWaalsContact O-N 3.09Å; T47-E49 PolarHBondContact O-N 3.28Å; T47-E49 PolarHBondContact OG1-N 3.44Å; T47-T50 PolarHBondContact N-OG1 3.27Å; T47-T50 PolarHBondContact O-N 2.94Å; T47-T50 PolarHBondContact O-OG1 2.97Å; T47-T50 PolarHBondContact OG1-N 3.45Å; T47-T50 PolarHBondContact OG1-OG1 2.94Å; T47-V51 WeakPolarHBondContact O-CB 3.34Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.38Å; T47-V51 PolarHBondContact O-N 2.77Å
48	L	92.4	Very high	92.9	Very high	155 Å²	155	60.7 Å²	60.7	81%	0.812	31%	0.307	S	S	*	.	H	α-helix	trans	-54.7	-41.9	174.3	177.9	62.4	0	0	0	111.5	L52	L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 PolarHBondContact O-N 2.83Å
49	E	90.3	Very high	92.9	Very high	90 Å²	90	62.6 Å²	62.6	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-49.3	-178.2	-178.3	171.5	-171.2	0	0	112	L28 T47 V51 L52 R53	L28-E49 HydrophobicContact CD1-CG 4.43Å; T47-E49 PolarHBondContact O-N 3.28Å; T47-E49 PolarHBondContact OG1-N 3.44Å; E49-V51 PolarHBondContact O-N 2.97Å; E49-L52 PolarHBondContact O-N 2.94Å; E49-R53 HydrophobicContact CG-CG 4.46Å; E49-R53 WeakPolarHBondContact O-CB 3.21Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 3.36Å
50	T	91.1	Very high	92.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-37.8	-177.6	55.7	0	0	0	0	112.1	L24 F27 V43 P45 T47 R53 C54	L24-T50 HydrophobicContact CD2-CG2 3.21Å; F27-T50 HydrophobicContact CD1-CG2 3.6Å; F27-T50 HydrophobicContact CE1-CG2 3.89Å; V43-T50 HydrophobicContact CG1-CG2 4.39Å; V43-T50 WeakPolarHBondContact CG1-OG1 3.41Å; P45-T50 HydrophobicContact CG-CG2 4.43Å; P45-T50 WeakPolarHBondContact O-CB 3.4Å; P45-T50 WeakPolarHBondContact O-CG2 3.3Å; P45-T50 PolarHBondContact O-OG1 2.68Å; T47-T50 PolarHBondContact N-OG1 3.27Å; T47-T50 PolarHBondContact O-N 2.94Å; T47-T50 PolarHBondContact O-OG1 2.97Å; T47-T50 PolarHBondContact OG1-N 3.45Å; T47-T50 PolarHBondContact OG1-OG1 2.94Å; T50-R53 PolarHBondContact O-N 3.28Å; T50-C54 VanDerWaalsContact O-CB 3.3Å; T50-C54 WeakPolarHBondContact O-CB 3.3Å; T50-C54 PolarHBondContact O-N 2.92Å
51	V	94.3	Very high	92.7	Very high	33 Å²	33	70.1 Å²	70.1	20%	0.2	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-46.9	173.8	169	0	0	0	0	110.8	L40 V46 T47 E49 R53 C54 L55	L40-V51 HydrophobicContact CD1-CG1 3.95Å; L40-V51 HydrophobicContact CD2-CG1 4.23Å; V46-V51 HydrophobicContact CG1-CG2 4.32Å; T47-V51 WeakPolarHBondContact O-CB 3.34Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.38Å; T47-V51 PolarHBondContact O-N 2.77Å; E49-V51 PolarHBondContact O-N 2.97Å; V51-R53 PolarHBondContact O-N 3.44Å; V51-C54 PolarHBondContact O-N 3.43Å; V51-L55 HydrophobicContact CG1-CD1 4Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 2.94Å
52	L	94.8	Very high	92.7	Very high	90 Å²	90	70.5 Å²	70.5	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-45.1	178.4	179.9	63	0	0	0	111.3	L48 E49 C54 L55 Q56	L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 PolarHBondContact O-N 2.83Å; E49-L52 PolarHBondContact O-N 2.94Å; L52-C54 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 3.46Å; L52-Q56 HydrophobicContact CD1-CG 4.38Å; L52-Q56 HydrophobicContact CG-CG 4.49Å; L52-Q56 WeakPolarHBondContact O-CB 3.44Å; L52-Q56 VanDerWaalsContact O-CG 3.26Å; L52-Q56 WeakPolarHBondContact O-CG 3.18Å; L52-Q56 PolarHBondContact O-N 3.5Å
53	R	92.1	Very high	93	Very high	125 Å²	125	63.6 Å²	63.6	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-41.1	177.2	-69.9	-72.1	-169.4	155.8	5.3	112.2	L28 L34 E49 T50 V51 Q56 A57	L28-R53 HydrophobicContact CD2-CB 3.84Å; L28-R53 HydrophobicContact CD2-CG 3.75Å; L34-R53 HydrophobicContact CD1-CB 4.24Å; E49-R53 HydrophobicContact CG-CG 4.46Å; E49-R53 WeakPolarHBondContact O-CB 3.21Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 3.36Å; T50-R53 PolarHBondContact O-N 3.28Å; V51-R53 PolarHBondContact O-N 3.44Å; R53-Q56 PolarHBondContact O-N 2.93Å; R53-A57 WeakPolarHBondContact O-CB 2.98Å; R53-A57 PolarHBondContact O-N 3.27Å
54	C	94.4	Very high	93.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-50.3	174.9	-177.5	0	0	0	0	111.6	L40 V43 T50 V51 L52 Q56 A57 R58	L40-C54 HydrophobicContact CD2-CB 4.12Å; V43-C54 HydrophobicContact CG2-CB 4.18Å; T50-C54 VanDerWaalsContact O-CB 3.3Å; T50-C54 WeakPolarHBondContact O-CB 3.3Å; T50-C54 PolarHBondContact O-N 2.92Å; V51-C54 PolarHBondContact O-N 3.43Å; L52-C54 PolarHBondContact O-N 2.87Å; C54-Q56 VanDerWaalsContact C-N 3.35Å; C54-Q56 PolarHBondContact O-N 3.49Å; C54-A57 PolarHBondContact O-N 3.29Å; C54-R58 WeakPolarHBondContact O-CG 3.44Å; C54-R58 PolarHBondContact O-N 3.32Å
55	L	96.6	Very high	93.9	Very high	27 Å²	27	58.3 Å²	58.3	14%	0.141	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-41.2	177.5	-72.9	173.5	0	0	0	112.3	L40 V51 L52 R58 Y59 V73 L75	L40-L55 HydrophobicContact CD1-CD1 4.33Å; L40-L55 HydrophobicContact CD1-CD2 4.15Å; L40-L55 HydrophobicContact CD1-CG 4.32Å; L40-L55 HydrophobicContact CD2-CD2 4.29Å; L40-L55 HydrophobicContact CD2-CG 4.21Å; V51-L55 HydrophobicContact CG1-CD1 4Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 2.94Å; L52-L55 PolarHBondContact O-N 3.46Å; L55-R58 PolarHBondContact O-N 2.99Å; L55-Y59 WeakPolarHBondContact O-CB 3.44Å; L55-Y59 PolarHBondContact O-N 3.3Å; L55-V73 HydrophobicContact CD2-CG1 4.1Å; L55-L75 HydrophobicContact CB-CD1 4.2Å; L55-L75 HydrophobicContact CD2-CD1 4.16Å
56	Q	95.5	Very high	94.4	Very high	89 Å²	89	57.6 Å²	57.6	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-48.2	174.7	-76.8	173.8	-13	0	0	111.7	L52 R53 C54 R58 Y59 M60	L52-Q56 HydrophobicContact CD1-CG 4.38Å; L52-Q56 HydrophobicContact CG-CG 4.49Å; L52-Q56 WeakPolarHBondContact O-CB 3.44Å; L52-Q56 VanDerWaalsContact O-CG 3.26Å; L52-Q56 WeakPolarHBondContact O-CG 3.18Å; L52-Q56 PolarHBondContact O-N 3.5Å; R53-Q56 PolarHBondContact O-N 2.93Å; C54-Q56 VanDerWaalsContact C-N 3.35Å; C54-Q56 PolarHBondContact O-N 3.49Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R58 PolarHBondContact O-N 3.48Å; Q56-Y59 PolarHBondContact O-N 3.42Å; Q56-M60 VanDerWaalsContact O-CG 3.32Å; Q56-M60 WeakPolarHBondContact O-CG 3.21Å; Q56-M60 PolarHBondContact O-N 3.38Å
57	A	94.1	Very high	94.7	Very high	27 Å²	27	55 Å²	55	22%	0.223	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-42	178.5	0	0	0	0	0	112	L34 Y35 R53 C54 M60 A61	L34-A57 HydrophobicContact CB-CB 3.8Å; Y35-A57 WeakPolarHBondContact CB-O 3.33Å; R53-A57 WeakPolarHBondContact O-CB 2.98Å; R53-A57 PolarHBondContact O-N 3.27Å; C54-A57 PolarHBondContact O-N 3.29Å; A57-M60 PolarHBondContact O-N 3.09Å; A57-A61 WeakPolarHBondContact O-CB 3.46Å; A57-A61 PolarHBondContact O-N 3.22Å; A57-A61 VanDerWaalsContact O-N 3.14Å
58	R	96.3	Very high	95	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-44.6	174.9	-72.3	-177.9	70.3	85.6	-15.9	112	Y35 L37 D38 C54 L55 Q56 M60 A61 D62 T63 Y65 T66	Y35-R58 WeakPolarHBondContact O-CG 3.5Å; Y35-R58 PolarHBondContact O-NH1 3.38Å; L37-R58 WeakPolarHBondContact O-CD 3.42Å; L37-R58 VanDerWaalsContact O-CZ 3.27Å; L37-R58 PolarHBondContact O-NH1 3.42Å; D38-R58 IonicContact OD1-CZ 3.96Å; D38-R58 IonicContact OD1-NH1 2.83Å; D38-R58 PolarHBondContact OD1-NH1 3.31Å; D38-R58 IonicContact OD1-NH2 3.83Å; D38-R58 PolarHBondContact OD1-NH2 3.35Å; C54-R58 WeakPolarHBondContact O-CG 3.44Å; C54-R58 PolarHBondContact O-N 3.32Å; L55-R58 PolarHBondContact O-N 2.99Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R58 PolarHBondContact O-N 3.48Å; R58-M60 PolarHBondContact O-N 3.23Å; R58-A61 CarbonylContact O-C 3.6Å; R58-A61 PolarHBondContact O-N 3.02Å; R58-A61 VanDerWaalsContact O-N 3.11Å; R58-D62 PolarHBondContact O-N 3.09Å; R58-T63 CarbonylContact C-O 3.4Å; R58-T63 VanDerWaalsContact CZ-CG2 3.4Å; R58-T63 WeakPolarHBondContact O-CA 3.49Å; R58-T63 WeakPolarHBondContact O-CB 3.27Å; R58-T63 PolarHBondContact O-N 2.81Å; R58-Y65 PolarHBondContact NH2-O 3.23Å; R58-T66 WeakPolarHBondContact CD-OG1 3.43Å; R58-T66 PolarHBondContact NE-OG1 3.03Å
59	Y	96.3	Very high	95	Very high	82 Å²	82	49.2 Å²	49.2	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-44.2	177.3	-170.1	-88.1	0	0	0	112	L55 Q56 A61 D62 F64 L75 N76 P77	L55-Y59 WeakPolarHBondContact O-CB 3.44Å; L55-Y59 PolarHBondContact O-N 3.3Å; Q56-Y59 PolarHBondContact O-N 3.42Å; Y59-A61 PolarHBondContact O-N 3.24Å; Y59-D62 PolarHBondContact O-N 3.39Å; Y59-D62 VanDerWaalsContact O-N 3.1Å; Y59-F64 AromaticContact CD2-CD1 3.8Å; Y59-F64 HydrophobicContact CD2-CD1 3.8Å; Y59-F64 AromaticContact CD2-CE1 3.82Å; Y59-F64 HydrophobicContact CD2-CE1 3.82Å; Y59-F64 AromaticContact CE2-CD1 3.9Å; Y59-F64 HydrophobicContact CE2-CD1 3.9Å; Y59-F64 AromaticContact CE2-CE1 3.76Å; Y59-F64 HydrophobicContact CE2-CE1 3.76Å; Y59-F64 HydrophobicContact CG-CE1 4.38Å; Y59-L75 HydrophobicContact CD2-CB 3.93Å; Y59-L75 HydrophobicContact CD2-CD1 3.96Å; Y59-L75 HydrophobicContact CE2-CB 4.35Å; Y59-L75 HydrophobicContact CG-CD1 4.49Å; Y59-N76 WeakPolarHBondContact CE2-O 3.31Å; Y59-N76 PolarHBondContact OH-O 3.43Å; Y59-P77 PolarHBondContact OH-O 3.01Å; Y59-P77 VanDerWaalsContact OH-O 3.06Å
60	M	94.6	Very high	95.1	Very high	164 Å²	164	51.5 Å²	51.5	81%	0.808	29%	0.289	S	S	*	.	H	α-helix	trans	-63.9	-24	176	-70.1	177.6	70.4	0	0	113.1	Q56 A57 R58	Q56-M60 VanDerWaalsContact O-CG 3.32Å; Q56-M60 WeakPolarHBondContact O-CG 3.21Å; Q56-M60 PolarHBondContact O-N 3.38Å; A57-M60 PolarHBondContact O-N 3.09Å; R58-M60 PolarHBondContact O-N 3.23Å
61	A	94	Very high	95.3	Very high	41 Å²	41	55.6 Å²	55.6	34%	0.339	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	19.6	175.7	0	0	0	0	0	113.3	Y35 A57 R58 Y59 T63	Y35-A61 HydrophobicContact CD2-CB 4.09Å; Y35-A61 HydrophobicContact CG-CB 3.97Å; A57-A61 WeakPolarHBondContact O-CB 3.46Å; A57-A61 PolarHBondContact O-N 3.22Å; A57-A61 VanDerWaalsContact O-N 3.14Å; R58-A61 CarbonylContact O-C 3.6Å; R58-A61 PolarHBondContact O-N 3.02Å; R58-A61 VanDerWaalsContact O-N 3.11Å; Y59-A61 PolarHBondContact O-N 3.24Å; A61-T63 PolarHBondContact O-N 2.61Å; A61-T63 PolarHBondContact O-OG1 3.17Å
62	D	94.5	Very high	95.5	Very high	89 Å²	89	55.9 Å²	55.9	48%	0.476	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	32.8	-179.8	-74.3	-24.5	0	0	0	114.8	R58 Y59 F64 K79	R58-D62 PolarHBondContact O-N 3.09Å; Y59-D62 PolarHBondContact O-N 3.39Å; Y59-D62 VanDerWaalsContact O-N 3.1Å; D62-F64 HydrophobicContact CB-CE2 4.14Å; D62-F64 HydrophobicContact CB-CZ 4.07Å; D62-F64 WeakPolarHBondContact O-CE2 3.43Å; D62-F64 WeakPolarHBondContact OD1-CZ 3.43Å; D62-K79 VanDerWaalsContact OD1-CE 3.23Å; D62-K79 WeakPolarHBondContact OD1-CE 3.15Å; D62-K79 IonicContact OD1-NZ 3.03Å; D62-K79 PolarHBondContact OD1-NZ 3.18Å; D62-K79 IonicContact OD2-NZ 2.63Å; D62-K79 PolarHBondContact OD2-NZ 3.4Å
63	T	95.8	Very high	95.6	Very high	45 Å²	45	53.5 Å²	53.5	28%	0.276	30%	0.303	S	S	.	.			trans	-112	106.1	176	-56.4	0	0	0	0	110.1	R58 A61	R58-T63 CarbonylContact C-O 3.4Å; R58-T63 VanDerWaalsContact CZ-CG2 3.4Å; R58-T63 WeakPolarHBondContact O-CA 3.49Å; R58-T63 WeakPolarHBondContact O-CB 3.27Å; R58-T63 PolarHBondContact O-N 2.81Å; A61-T63 PolarHBondContact O-N 2.61Å; A61-T63 PolarHBondContact O-OG1 3.17Å
64	F	97.4	Very high	95.9	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.022	30%	0.299	C	S	.	.			trans	-101.8	-8.5	-166.7	-56.4	-65.9	0	0	0	115.1	Y59 D62 A74 L75 P77 V81 L84	Y59-F64 AromaticContact CD2-CD1 3.8Å; Y59-F64 HydrophobicContact CD2-CD1 3.8Å; Y59-F64 AromaticContact CD2-CE1 3.82Å; Y59-F64 HydrophobicContact CD2-CE1 3.82Å; Y59-F64 AromaticContact CE2-CD1 3.9Å; Y59-F64 HydrophobicContact CE2-CD1 3.9Å; Y59-F64 AromaticContact CE2-CE1 3.76Å; Y59-F64 HydrophobicContact CE2-CE1 3.76Å; Y59-F64 HydrophobicContact CG-CE1 4.38Å; D62-F64 HydrophobicContact CB-CE2 4.14Å; D62-F64 HydrophobicContact CB-CZ 4.07Å; D62-F64 WeakPolarHBondContact O-CE2 3.43Å; D62-F64 WeakPolarHBondContact OD1-CZ 3.43Å; F64-A74 CarbonylContact O-C 3.6Å; F64-A74 WeakPolarHBondContact O-CA 3.5Å; F64-L75 WeakPolarHBondContact CB-O 3.26Å; F64-L75 PolarHBondContact O-N 3.24Å; F64-P77 HydrophobicContact CD1-CB 3.74Å; F64-P77 HydrophobicContact CD2-CB 4.07Å; F64-P77 HydrophobicContact CE1-CB 3.52Å; F64-P77 HydrophobicContact CE2-CB 3.86Å; F64-P77 HydrophobicContact CG-CB 4.01Å; F64-P77 HydrophobicContact CZ-CB 3.57Å; F64-V81 HydrophobicContact CD2-CG2 4.38Å; F64-V81 HydrophobicContact CE2-CG1 4.33Å; F64-V81 HydrophobicContact CE2-CG2 3.82Å; F64-V81 HydrophobicContact CZ-CG2 4.49Å; F64-L84 HydrophobicContact CD2-CD2 4.08Å
65	Y	98	Very high	96.1	Very high	8 Å²	8	52 Å²	52	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136	179.3	-70.4	-68.9	0	0	0	110.4	R58 L72 V73 A74 L84 Y85 P104 H105 V106	R58-Y65 PolarHBondContact NH2-O 3.23Å; Y65-L72 HydrophobicContact CD1-CD1 4.35Å; Y65-L72 HydrophobicContact CD1-CD2 3.79Å; Y65-L72 HydrophobicContact CD1-CG 4.09Å; Y65-L72 HydrophobicContact CE1-CD2 4.21Å; Y65-V73 CarbonylContact C-O 3.59Å; Y65-V73 WeakPolarHBondContact CA-O 3.45Å; Y65-A74 HydrophobicContact CD1-CB 3.74Å; Y65-A74 HydrophobicContact CE1-CB 3.52Å; Y65-L84 HydrophobicContact CD2-CD1 4.14Å; Y65-L84 HydrophobicContact CD2-CD2 4.37Å; Y65-L84 HydrophobicContact CE2-CD1 4.1Å; Y65-L84 HydrophobicContact CE2-CD2 3.81Å; Y65-L84 HydrophobicContact CE2-CG 4Å; Y65-Y85 HydrophobicContact CE2-CE1 4.21Å; Y65-Y85 VanDerWaalsContact OH-CE1 3.31Å; Y65-Y85 WeakPolarHBondContact OH-CE1 3.44Å; Y65-Y85 PolarHBondContact OH-OH 3.38Å; Y65-P104 WeakPolarHBondContact CB-O 3.29Å; Y65-H105 AromaticContact CD2-CD2 3.47Å; Y65-H105 VanDerWaalsContact CD2-CD2 3.47Å; Y65-H105 WeakPolarHBondContact CD2-CD2 3.15Å; Y65-H105 AromaticContact CD2-NE2 3.83Å; Y65-H105 AromaticContact CE2-CD2 3.61Å; Y65-H105 AromaticContact CE2-NE2 3.45Å; Y65-H105 WeakPolarHBondContact CE2-NE2 3.45Å; Y65-V106 HydrophobicContact CE1-CB 4.13Å
66	T	98.1	Very high	96.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.1	179.3	-41.8	0	0	0	0	109.6	L40 R58 V73	L40-T66 HydrophobicContact CD2-CG2 4.02Å; L40-T66 HydrophobicContact CG-CG2 3.83Å; R58-T66 WeakPolarHBondContact CD-OG1 3.43Å; R58-T66 PolarHBondContact NE-OG1 3.03Å; T66-V73 PolarHBondContact N-O 3.27Å; T66-V73 WeakPolarHBondContact O-CA 3.35Å; T66-V73 WeakPolarHBondContact O-CB 3.42Å; T66-V73 PolarHBondContact O-N 3.23Å
67	N	98.1	Very high	96.1	Very high	43 Å²	43	49.7 Å²	49.7	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	150.1	174.5	-65.6	-23.9	0	0	0	110.5	D38 D39 L40	D38-N67 WeakPolarHBondContact O-CB 3.49Å; D38-N67 PolarHBondContact O-N 3.06Å; D39-N67 CarbonylContact C-O 3.6Å; D39-N67 WeakPolarHBondContact CA-O 3.42Å; D39-N67 HydrophobicContact CB-CB 4.1Å; L40-N67 PolarHBondContact N-O 3.33Å
68	A	96.1	Very high	96.2	Very high	32 Å²	32	56.1 Å²	56.1	26%	0.264	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	77.5	167.4	0	0	0	0	0	106.9	L40 C70 T71 V73	L40-A68 HydrophobicContact CB-CB 4.5Å; L40-A68 HydrophobicContact CD1-CB 4.32Å; A68-C70 PolarHBondContact O-N 3.21Å; A68-T71 PolarHBondContact N-O 3.48Å; A68-T71 PolarHBondContact O-N 3.24Å; A68-T71 VanDerWaalsContact O-N 3.09Å; A68-V73 HydrophobicContact CB-CG2 3.93Å
69	G	93.5	Very high	96	Very high	42 Å²	42	60.7 Å²	60.7	43%	0.433	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	-118.2	-169.5	0	0	0	0	0	110.9	D39 T71	D39-G69 PolarHBondContact OD1-N 3.1Å; G69-T71 VanDerWaalsContact C-N 3.35Å
70	C	91.2	Very high	95.7	Very high	138 Å²	138	62.6 Å²	62.6	93%	0.932	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.2	178.5	61.9	0	0	0	0	114.4	A68	A68-C70 PolarHBondContact O-N 3.21Å
71	T	95.6	Very high	95.6	Very high	87 Å²	87	55.7 Å²	55.7	53%	0.534	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148.2	179.6	-53.9	0	0	0	0	110.5	A68 G69	A68-T71 PolarHBondContact N-O 3.48Å; A68-T71 PolarHBondContact O-N 3.24Å; A68-T71 VanDerWaalsContact O-N 3.09Å; G69-T71 VanDerWaalsContact C-N 3.35Å
72	L	98.1	Very high	95.2	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.199	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.4	171.1	-176.6	66.6	0	0	0	110.1	Y65 P104 H105 V106 V109	Y65-L72 HydrophobicContact CD1-CD1 4.35Å; Y65-L72 HydrophobicContact CD1-CD2 3.79Å; Y65-L72 HydrophobicContact CD1-CG 4.09Å; Y65-L72 HydrophobicContact CE1-CD2 4.21Å; L72-P104 HydrophobicContact CD1-CB 3.94Å; L72-H105 VanDerWaalsContact CD2-C 3.41Å; L72-H105 WeakPolarHBondContact CD2-O 3.11Å; L72-V106 HydrophobicContact CD2-CB 4.26Å; L72-V109 HydrophobicContact CB-CG2 4.13Å; L72-V109 HydrophobicContact CD2-CG2 3.96Å
73	V	98.1	Very high	95	Very high	40 Å²	40	60.5 Å²	60.5	24%	0.242	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.3	170.1	-179.2	0	0	0	0	108.7	L40 L55 Y65 T66 A68 L75	L40-V73 HydrophobicContact CD1-CG2 4.09Å; L55-V73 HydrophobicContact CD2-CG1 4.1Å; Y65-V73 CarbonylContact C-O 3.59Å; Y65-V73 WeakPolarHBondContact CA-O 3.45Å; T66-V73 PolarHBondContact N-O 3.27Å; T66-V73 WeakPolarHBondContact O-CA 3.35Å; T66-V73 WeakPolarHBondContact O-CB 3.42Å; T66-V73 PolarHBondContact O-N 3.23Å; A68-V73 HydrophobicContact CB-CG2 3.93Å; V73-L75 HydrophobicContact CG1-CD2 4.49Å
74	A	97.8	Very high	94.9	Very high	46 Å²	46	59.6 Å²	59.6	38%	0.38	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.8	175.4	0	0	0	0	0	109.8	F64 Y65	F64-A74 CarbonylContact O-C 3.6Å; F64-A74 WeakPolarHBondContact O-CA 3.5Å; Y65-A74 HydrophobicContact CD1-CB 3.74Å; Y65-A74 HydrophobicContact CE1-CB 3.52Å
75	L	97.7	Very high	94.6	Very high	49 Å²	49	61.5 Å²	61.5	26%	0.257	36%	0.356	S	S	.	.			trans	-98.2	126.9	172.9	-61.4	179.8	0	0	0	109.2	L55 Y59 F64 V73 P77	L55-L75 HydrophobicContact CB-CD1 4.2Å; L55-L75 HydrophobicContact CD2-CD1 4.16Å; Y59-L75 HydrophobicContact CD2-CB 3.93Å; Y59-L75 HydrophobicContact CD2-CD1 3.96Å; Y59-L75 HydrophobicContact CE2-CB 4.35Å; Y59-L75 HydrophobicContact CG-CD1 4.49Å; F64-L75 WeakPolarHBondContact CB-O 3.26Å; F64-L75 PolarHBondContact O-N 3.24Å; V73-L75 HydrophobicContact CG1-CD2 4.49Å; L75-P77 VanDerWaalsContact O-CD 3.31Å; L75-P77 WeakPolarHBondContact O-CD 3.27Å
76	N	97.1	Very high	94.4	Very high	49 Å²	49	62.3 Å²	62.3	26%	0.262	36%	0.363	S	S	.	.			trans	-67.5	118.6	176.7	-177.8	-5.5	0	0	0	109.8	Y59 F78 G135	Y59-N76 WeakPolarHBondContact CE2-O 3.31Å; Y59-N76 PolarHBondContact OH-O 3.43Å; N76-F78 HydrophobicContact CB-CD2 4.41Å; N76-F78 HydrophobicContact CB-CE2 4.09Å; N76-F78 HydrophobicContact CB-CZ 4.26Å; N76-F78 WeakPolarHBondContact ND2-CE1 3.48Å; N76-F78 VanDerWaalsContact O-CD2 3.27Å; N76-F78 WeakPolarHBondContact O-CD2 3.45Å; N76-F78 PolarHBondContact O-N 3.29Å; N76-F78 PolarHBondContact OD1-N 3.06Å; N76-G135 PolarHBondContact ND2-O 2.93Å
77	P	96.1	Very high	94	Very high	17 Å²	17	65.4 Å²	65.4	11%	0.11	38%	0.383	C	S	.	.			trans	-70.3	-16.3	-177.7	29.3	-37.3	0	0	0	113.9	Y59 F64 L75 K79 V81	Y59-P77 PolarHBondContact OH-O 3.01Å; Y59-P77 VanDerWaalsContact OH-O 3.06Å; F64-P77 HydrophobicContact CD1-CB 3.74Å; F64-P77 HydrophobicContact CD2-CB 4.07Å; F64-P77 HydrophobicContact CE1-CB 3.52Å; F64-P77 HydrophobicContact CE2-CB 3.86Å; F64-P77 HydrophobicContact CG-CB 4.01Å; F64-P77 HydrophobicContact CZ-CB 3.57Å; L75-P77 VanDerWaalsContact O-CD 3.31Å; L75-P77 WeakPolarHBondContact O-CD 3.27Å; P77-K79 HydrophobicContact CB-CG 4.07Å; P77-K79 WeakPolarHBondContact O-CG 3.32Å; P77-K79 PolarHBondContact O-N 2.93Å; P77-V81 HydrophobicContact CB-CG2 3.92Å; P77-V81 HydrophobicContact CG-CG2 3.97Å
78	F	95.1	Very high	93.8	Very high	163 Å²	163	68.6 Å²	68.6	72%	0.715	40%	0.397	S	S	*	.	S	Bend	trans	50.9	19.2	-171	-65	-76.7	0	0	0	114.8	N76	N76-F78 HydrophobicContact CB-CD2 4.41Å; N76-F78 HydrophobicContact CB-CE2 4.09Å; N76-F78 HydrophobicContact CB-CZ 4.26Å; N76-F78 WeakPolarHBondContact ND2-CE1 3.48Å; N76-F78 VanDerWaalsContact O-CD2 3.27Å; N76-F78 WeakPolarHBondContact O-CD2 3.45Å; N76-F78 PolarHBondContact O-N 3.29Å; N76-F78 PolarHBondContact OD1-N 3.06Å
79	K	93.8	Very high	93.8	Very high	97 Å²	97	68.7 Å²	68.7	42%	0.422	39%	0.393	S	S	.	.	S	Bend	trans	-143.3	154	175.6	64.5	-179.4	175.6	176.5	0	110.4	D62 P77 V81	D62-K79 VanDerWaalsContact OD1-CE 3.23Å; D62-K79 WeakPolarHBondContact OD1-CE 3.15Å; D62-K79 IonicContact OD1-NZ 3.03Å; D62-K79 PolarHBondContact OD1-NZ 3.18Å; D62-K79 IonicContact OD2-NZ 2.63Å; D62-K79 PolarHBondContact OD2-NZ 3.4Å; P77-K79 HydrophobicContact CB-CG 4.07Å; P77-K79 WeakPolarHBondContact O-CG 3.32Å; P77-K79 PolarHBondContact O-N 2.93Å; K79-V81 HydrophobicContact CG-CG2 4.16Å; K79-V81 PolarHBondContact O-N 3.21Å
80	P	90.4	Very high	93.8	Very high	121 Å²	121	66.9 Å²	66.9	79%	0.786	37%	0.373	S	S	*	.			trans	-61.4	132.4	170.4	-20.3	32.8	0	0	0	110.8
81	V	91.8	Very high	94	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.115	35%	0.353	C	S	.	.			trans	-131.1	72.3	173.6	-162.4	0	0	0	0	108.7	F64 P77 K79 Q83 L84	F64-V81 HydrophobicContact CD2-CG2 4.38Å; F64-V81 HydrophobicContact CE2-CG1 4.33Å; F64-V81 HydrophobicContact CE2-CG2 3.82Å; F64-V81 HydrophobicContact CZ-CG2 4.49Å; P77-V81 HydrophobicContact CB-CG2 3.92Å; P77-V81 HydrophobicContact CG-CG2 3.97Å; K79-V81 HydrophobicContact CG-CG2 4.16Å; K79-V81 PolarHBondContact O-N 3.21Å; V81-Q83 VanDerWaalsContact C-N 3.28Å; V81-Q83 HydrophobicContact CG1-CG 4.41Å; V81-Q83 PolarHBondContact O-N 3.04Å; V81-L84 HydrophobicContact CB-CB 4.1Å; V81-L84 HydrophobicContact CB-CD2 4.36Å; V81-L84 HydrophobicContact CG1-CB 3.87Å; V81-L84 HydrophobicContact CG1-CD2 4.42Å; V81-L84 VanDerWaalsContact O-CB 3.26Å; V81-L84 WeakPolarHBondContact O-CB 3.47Å; V81-L84 PolarHBondContact O-N 3.24Å
82	P	85.9	Confident	94	Very high	97 Å²	97	67.7 Å²	67.7	63%	0.63	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57.8	-38.1	-167.7	-24.7	34.4	0	0	0	113.7	L84 Y85 S86	P82-L84 PolarHBondContact O-N 3.45Å; P82-Y85 PolarHBondContact O-N 3.48Å; P82-S86 PolarHBondContact O-N 3.37Å
83	Q	90.5	Very high	94	Very high	134 Å²	134	66.3 Å²	66.3	63%	0.626	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.5	-179.7	66.2	-85.6	28.3	0	0	113.3	V81 Y85 S86	V81-Q83 VanDerWaalsContact C-N 3.28Å; V81-Q83 HydrophobicContact CG1-CG 4.41Å; V81-Q83 PolarHBondContact O-N 3.04Å; Q83-Y85 PolarHBondContact O-N 3.03Å; Q83-S86 PolarHBondContact O-OG 3.23Å
84	L	92.3	Very high	93.9	Very high	27 Å²	27	67.3 Å²	67.3	14%	0.141	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-69.8	-20.7	-178.4	-167.5	63.2	0	0	0	112.7	F64 Y65 V81 P82 L89 H105	F64-L84 HydrophobicContact CD2-CD2 4.08Å; Y65-L84 HydrophobicContact CD2-CD1 4.14Å; Y65-L84 HydrophobicContact CD2-CD2 4.37Å; Y65-L84 HydrophobicContact CE2-CD1 4.1Å; Y65-L84 HydrophobicContact CE2-CD2 3.81Å; Y65-L84 HydrophobicContact CE2-CG 4Å; V81-L84 HydrophobicContact CB-CB 4.1Å; V81-L84 HydrophobicContact CB-CD2 4.36Å; V81-L84 HydrophobicContact CG1-CB 3.87Å; V81-L84 HydrophobicContact CG1-CD2 4.42Å; V81-L84 VanDerWaalsContact O-CB 3.26Å; V81-L84 WeakPolarHBondContact O-CB 3.47Å; V81-L84 PolarHBondContact O-N 3.24Å; P82-L84 PolarHBondContact O-N 3.45Å; L84-L89 WeakPolarHBondContact O-CD2 3.42Å; L84-H105 WeakPolarHBondContact CD1-NE2 3.16Å; L84-H105 PolarHBondContact O-CE1 3.44Å; L84-H105 VanDerWaalsContact O-CE1 3.24Å; L84-H105 PolarHBondContact O-NE2 3.06Å
85	Y	91.8	Very high	93.7	Very high	44 Å²	44	68.9 Å²	68.9	17%	0.173	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-128.6	25.6	-175.6	-52.2	-61	0	0	0	112.5	Y65 P82 Q83 F107 W140 C144	Y65-Y85 HydrophobicContact CE2-CE1 4.21Å; Y65-Y85 VanDerWaalsContact OH-CE1 3.31Å; Y65-Y85 WeakPolarHBondContact OH-CE1 3.44Å; Y65-Y85 PolarHBondContact OH-OH 3.38Å; P82-Y85 PolarHBondContact O-N 3.48Å; Q83-Y85 PolarHBondContact O-N 3.03Å; Y85-F107 HydrophobicContact CD1-CZ 4.25Å; Y85-W140 HydrophobicContact CD2-CZ2 4.36Å; Y85-W140 AromaticContact CD2-NE1 3.8Å; Y85-W140 AromaticContact CE2-NE1 3.29Å; Y85-W140 VanDerWaalsContact CE2-NE1 3.29Å; Y85-W140 AromaticContact CZ-NE1 3.59Å; Y85-C144 HydrophobicContact CD1-CB 4.42Å; Y85-C144 WeakPolarHBondContact CD1-SG 3.38Å; Y85-C144 HydrophobicContact CE1-CB 4.49Å
86	S	92.9	Very high	93.6	Very high	26 Å²	26	67.2 Å²	67.2	18%	0.182	35%	0.352	C	S	.	.			trans	-68.8	144.9	-179.5	61.9	0	0	0	0	111.7	P82 Q83 E88 L89 M90	P82-S86 PolarHBondContact O-N 3.37Å; Q83-S86 PolarHBondContact O-OG 3.23Å; S86-E88 WeakPolarHBondContact CB-OE2 3.44Å; S86-E88 PolarHBondContact O-N 3.13Å; S86-L89 PolarHBondContact O-N 3.35Å; S86-L89 VanDerWaalsContact O-N 3.14Å; S86-L89 VanDerWaalsContact OG-CB 3.27Å; S86-L89 WeakPolarHBondContact OG-CB 3.4Å; S86-L89 PolarHBondContact OG-N 2.83Å; S86-M90 WeakPolarHBondContact O-CG 3.46Å; S86-M90 PolarHBondContact O-N 2.6Å
87	P	90.7	Very high	93.5	Very high	64 Å²	64	70.5 Å²	70.5	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-28.5	172.6	-24.6	34.6	0	0	0	113.4	R91	P87-R91 WeakPolarHBondContact O-CG 3.18Å; P87-R91 PolarHBondContact O-N 2.95Å; P87-R91 VanDerWaalsContact O-N 3.12Å; P87-R91 PolarHBondContact O-NE 2.69Å; P87-R91 VanDerWaalsContact O-NE 3.15Å
88	E	93.6	Very high	93.4	Very high	111 Å²	111	74.1 Å²	74.1	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-48.9	174.4	-66.4	62.8	-131	0	0	110.4	S86 M90 R91 E92	S86-E88 WeakPolarHBondContact CB-OE2 3.44Å; S86-E88 PolarHBondContact O-N 3.13Å; E88-M90 PolarHBondContact O-N 3.18Å; E88-R91 PolarHBondContact O-N 3.22Å; E88-R91 IonicContact OE1-NH2 3.73Å; E88-R91 PolarHBondContact OE1-NH2 3.48Å; E88-E92 PolarHBondContact O-N 2.91Å
89	L	95.3	Very high	93.2	Very high	33 Å²	33	66.3 Å²	66.3	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-64.9	-39.7	177.7	-169.2	66.1	0	0	0	111.5	L84 S86 R91 E92 Y93 F107	L84-L89 WeakPolarHBondContact O-CD2 3.42Å; S86-L89 PolarHBondContact O-N 3.35Å; S86-L89 VanDerWaalsContact O-N 3.14Å; S86-L89 VanDerWaalsContact OG-CB 3.27Å; S86-L89 WeakPolarHBondContact OG-CB 3.4Å; S86-L89 PolarHBondContact OG-N 2.83Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.37Å; L89-E92 WeakPolarHBondContact O-CB 3.4Å; L89-E92 PolarHBondContact O-N 3.34Å; L89-Y93 HydrophobicContact CD1-CD2 4.07Å; L89-Y93 HydrophobicContact CD1-CE2 3.72Å; L89-Y93 HydrophobicContact CD2-CE2 4.4Å; L89-Y93 HydrophobicContact CG-CD2 3.99Å; L89-Y93 HydrophobicContact CG-CE2 3.86Å; L89-Y93 WeakPolarHBondContact O-CD2 3.5Å; L89-Y93 PolarHBondContact O-N 2.81Å; L89-F107 HydrophobicContact CB-CE2 4.32Å; L89-F107 HydrophobicContact CD2-CD2 4.44Å; L89-F107 HydrophobicContact CD2-CE2 4.15Å; L89-F107 HydrophobicContact CG-CD2 4.25Å; L89-F107 HydrophobicContact CG-CE2 4.19Å
90	M	95.3	Very high	93.1	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.02	36%	0.361	C	S	.	.	H	α-helix	trans	-55.9	-45.8	173.7	-66.6	177.3	-178.7	0	0	111.4	S86 E88 Y93 H94 F107 K147 F148 V151	S86-M90 WeakPolarHBondContact O-CG 3.46Å; S86-M90 PolarHBondContact O-N 2.6Å; E88-M90 PolarHBondContact O-N 3.18Å; M90-Y93 PolarHBondContact O-N 2.79Å; M90-H94 PolarHBondContact O-N 2.91Å; M90-H94 VanDerWaalsContact O-N 3.1Å; M90-F107 HydrophobicContact CB-CE2 4.33Å; M90-F107 HydrophobicContact CE-CE1 3.83Å; M90-F107 HydrophobicContact CE-CE2 4.5Å; M90-F107 HydrophobicContact CE-CZ 3.51Å; M90-F107 HydrophobicContact CG-CD1 4.38Å; M90-F107 HydrophobicContact CG-CD2 4.07Å; M90-F107 HydrophobicContact CG-CE1 3.8Å; M90-F107 HydrophobicContact CG-CE2 3.47Å; M90-F107 VanDerWaalsContact CG-CE2 3.47Å; M90-F107 HydrophobicContact CG-CZ 3.33Å; M90-F107 HydrophobicContact SD-CZ 4.26Å; M90-K147 HydrophobicContact CE-CB 3.88Å; M90-F148 HydrophobicContact CB-CD2 3.85Å; M90-F148 HydrophobicContact CB-CE2 4.36Å; M90-F148 HydrophobicContact CG-CD2 3.96Å; M90-F148 WeakPolarHBondContact O-CE2 3.4Å; M90-F148 HydrophobicContact SD-CB 4.42Å; M90-V151 HydrophobicContact CB-CG1 4.17Å; M90-V151 HydrophobicContact SD-CB 4.13Å; M90-V151 HydrophobicContact SD-CG1 4.49Å; M90-V151 HydrophobicContact SD-CG2 3.8Å
91	R	94.3	Very high	93.2	Very high	135 Å²	135	68.6 Å²	68.6	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-66.8	-36.6	177.5	-74.7	179	-78.4	155	-8.8	112.5	P87 E88 L89 H94 A95 V151	P87-R91 WeakPolarHBondContact O-CG 3.18Å; P87-R91 PolarHBondContact O-N 2.95Å; P87-R91 VanDerWaalsContact O-N 3.12Å; P87-R91 PolarHBondContact O-NE 2.69Å; P87-R91 VanDerWaalsContact O-NE 3.15Å; E88-R91 PolarHBondContact O-N 3.22Å; E88-R91 IonicContact OE1-NH2 3.73Å; E88-R91 PolarHBondContact OE1-NH2 3.48Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.37Å; R91-H94 PolarHBondContact O-N 2.84Å; R91-A95 VanDerWaalsContact O-CB 3.31Å; R91-A95 WeakPolarHBondContact O-CB 3.38Å; R91-A95 PolarHBondContact O-N 3.36Å; R91-V151 HydrophobicContact CG-CG1 4.11Å
92	E	95.9	Very high	93.3	Very high	107 Å²	107	70.1 Å²	70.1	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-50.5	174.7	-174.8	-174.3	153.6	0	0	111.5	E88 L89 H94 A95 A96	E88-E92 PolarHBondContact O-N 2.91Å; L89-E92 WeakPolarHBondContact O-CB 3.4Å; L89-E92 PolarHBondContact O-N 3.34Å; E92-H94 VanDerWaalsContact C-N 3.29Å; E92-H94 PolarHBondContact O-N 3.15Å; E92-A95 PolarHBondContact O-N 3.24Å; E92-A96 WeakPolarHBondContact O-CB 3.38Å; E92-A96 PolarHBondContact O-N 3.35Å
93	Y	97.4	Very high	93.8	Very high	10 Å²	10	71.1 Å²	71.1	4%	0.039	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-37	177.8	-85.7	-95.6	0	0	0	112.4	L89 M90 L102 K103 H105 F107 T108	L89-Y93 HydrophobicContact CD1-CD2 4.07Å; L89-Y93 HydrophobicContact CD1-CE2 3.72Å; L89-Y93 HydrophobicContact CD2-CE2 4.4Å; L89-Y93 HydrophobicContact CG-CD2 3.99Å; L89-Y93 HydrophobicContact CG-CE2 3.86Å; L89-Y93 WeakPolarHBondContact O-CD2 3.5Å; L89-Y93 PolarHBondContact O-N 2.81Å; M90-Y93 PolarHBondContact O-N 2.79Å; Y93-L102 HydrophobicContact CD1-CB 4.37Å; Y93-L102 HydrophobicContact CD1-CD1 3.65Å; Y93-L102 HydrophobicContact CD2-CD1 4.21Å; Y93-L102 HydrophobicContact CE1-CB 3.69Å; Y93-L102 HydrophobicContact CE1-CD1 3.76Å; Y93-L102 HydrophobicContact CE1-CG 4.4Å; Y93-L102 HydrophobicContact CE2-CD1 4.34Å; Y93-L102 HydrophobicContact CG-CD1 3.87Å; Y93-K103 PolarHBondContact OH-O 3.12Å; Y93-H105 HydrophobicContact CE1-CB 3.7Å; Y93-H105 HydrophobicContact CE2-CB 4.13Å; Y93-H105 VanDerWaalsContact CZ-CB 3.45Å; Y93-H105 VanDerWaalsContact OH-CB 3.32Å; Y93-H105 WeakPolarHBondContact OH-CB 3.4Å; Y93-F107 HydrophobicContact CD1-CB 3.95Å; Y93-F107 HydrophobicContact CD2-CB 4.06Å; Y93-F107 HydrophobicContact CD2-CD2 4.01Å; Y93-F107 HydrophobicContact CG-CB 3.62Å; Y93-F107 HydrophobicContact CG-CD2 4.41Å; Y93-T108 WeakPolarHBondContact CD1-OG1 3.27Å; Y93-T108 WeakPolarHBondContact CE1-OG1 3.34Å
94	H	95.8	Very high	94.2	Very high	60 Å²	60	65.1 Å²	65.1	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-45.2	177.2	-174.1	53.4	0	0	0	112.6	M90 R91 E92 A96 E111 Y114 R115 V152	M90-H94 PolarHBondContact O-N 2.91Å; M90-H94 VanDerWaalsContact O-N 3.1Å; R91-H94 PolarHBondContact O-N 2.84Å; E92-H94 VanDerWaalsContact C-N 3.29Å; E92-H94 PolarHBondContact O-N 3.15Å; H94-A96 VanDerWaalsContact C-N 3.31Å; H94-A96 PolarHBondContact O-N 2.91Å; H94-E111 IonicContact CE1-OE1 2.94Å; H94-E111 IonicContact CE1-OE2 2.81Å; H94-E111 IonicContact CG-OE2 2.68Å; H94-E111 IonicContact ND1-OE1 3.27Å; H94-E111 PolarHBondContact ND1-OE1 3.14Å; H94-E111 IonicContact ND1-OE2 3.34Å; H94-E111 PolarHBondContact ND1-OE2 3.46Å; H94-Y114 AromaticContact CE1-CE1 3.68Å; H94-R115 PolarHBondContact O-NH2 3.05Å; H94-V152 HydrophobicContact CB-CB 4.41Å; H94-V152 HydrophobicContact CB-CG1 3.59Å
95	A	94.7	Very high	94.4	Very high	79 Å²	79	64 Å²	64	65%	0.653	33%	0.325	S	S	*	.	H	α-helix	trans	-73.4	-22	-177.6	0	0	0	0	0	113.3	R91 E92 P97	R91-A95 VanDerWaalsContact O-CB 3.31Å; R91-A95 WeakPolarHBondContact O-CB 3.38Å; R91-A95 PolarHBondContact O-N 3.36Å; E92-A95 PolarHBondContact O-N 3.24Å; A95-P97 WeakPolarHBondContact O-CD 3.45Å
96	A	96.2	Very high	94.7	Very high	15 Å²	15	62.1 Å²	62.1	12%	0.124	32%	0.318	C	S	.	.			trans	-63.5	125.3	-177.6	0	0	0	0	0	111.8	E92 H94 Q98 L102 R115	E92-A96 WeakPolarHBondContact O-CB 3.38Å; E92-A96 PolarHBondContact O-N 3.35Å; H94-A96 VanDerWaalsContact C-N 3.31Å; H94-A96 PolarHBondContact O-N 2.91Å; A96-Q98 PolarHBondContact O-N 3.1Å; A96-L102 HydrophobicContact CB-CD1 3.65Å; A96-L102 HydrophobicContact CB-CG 4.21Å; A96-R115 PolarHBondContact O-NH2 2.88Å
97	P	94.1	Very high	94.9	Very high	117 Å²	117	60.9 Å²	60.9	76%	0.76	31%	0.309	S	S	*	.	S	Bend	trans	-59.4	-33.8	177.6	-25.6	34.3	0	0	0	112.8	A95 R115	A95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-R115 PolarHBondContact O-NH1 3.42Å
98	Q	93.4	Very high	95.2	Very high	93 Å²	93	59 Å²	59	44%	0.435	30%	0.296	S	S	.	.			trans	-130.1	76.7	-177.1	-68.1	177.9	-22.7	0	0	110.1	A96 Q100 K101	A96-Q98 PolarHBondContact O-N 3.1Å; Q98-Q100 VanDerWaalsContact CA-OE1 3.28Å; Q98-Q100 PolarHBondContact O-N 3.47Å; Q98-Q100 VanDerWaalsContact O-N 3.13Å; Q98-K101 HydrophobicContact CB-CB 4.44Å; Q98-K101 HydrophobicContact CB-CD 4.12Å; Q98-K101 HydrophobicContact CB-CG 4.13Å; Q98-K101 WeakPolarHBondContact O-CB 3.43Å; Q98-K101 PolarHBondContact O-N 2.95Å
99	P	91.4	Very high	95.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61.9	-21.8	-175.8	27	-36.2	0	0	0	113.1	K101 L102 T108 E111	P99-K101 PolarHBondContact O-N 2.85Å; P99-L102 WeakPolarHBondContact O-CB 3.31Å; P99-L102 PolarHBondContact O-N 3.48Å; P99-T108 HydrophobicContact CB-CG2 4.41Å; P99-T108 PolarHBondContact O-OG1 3.3Å; P99-E111 HydrophobicContact CB-CG 4.22Å; P99-E111 HydrophobicContact CG-CB 4.49Å; P99-E111 HydrophobicContact CG-CG 3.92Å
100	Q	90.7	Very high	95.5	Very high	108 Å²	108	54.4 Å²	54.4	51%	0.505	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.8	-16.7	173.2	72.7	-78.8	11.3	0	0	114.1	Q98	Q98-Q100 VanDerWaalsContact CA-OE1 3.28Å; Q98-Q100 PolarHBondContact O-N 3.47Å; Q98-Q100 VanDerWaalsContact O-N 3.13Å
101	K	92.7	Very high	95.5	Very high	158 Å²	158	54.4 Å²	54.4	69%	0.687	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-88.3	-12.6	173.3	-69	-171.6	175.2	173.6	0	112.9	Q98 P99	Q98-K101 HydrophobicContact CB-CB 4.44Å; Q98-K101 HydrophobicContact CB-CD 4.12Å; Q98-K101 HydrophobicContact CB-CG 4.13Å; Q98-K101 WeakPolarHBondContact O-CB 3.43Å; Q98-K101 PolarHBondContact O-N 2.95Å; P99-K101 PolarHBondContact O-N 2.85Å
102	L	95.4	Very high	95.6	Very high	51 Å²	51	52.1 Å²	52.1	27%	0.267	27%	0.272	S	S	.	.	S	Bend	trans	-74	173.2	172.3	-60.1	-178.3	0	0	0	110.3	Y93 A96 P99	Y93-L102 HydrophobicContact CD1-CB 4.37Å; Y93-L102 HydrophobicContact CD1-CD1 3.65Å; Y93-L102 HydrophobicContact CD2-CD1 4.21Å; Y93-L102 HydrophobicContact CE1-CB 3.69Å; Y93-L102 HydrophobicContact CE1-CD1 3.76Å; Y93-L102 HydrophobicContact CE1-CG 4.4Å; Y93-L102 HydrophobicContact CE2-CD1 4.34Å; Y93-L102 HydrophobicContact CG-CD1 3.87Å; A96-L102 HydrophobicContact CB-CD1 3.65Å; A96-L102 HydrophobicContact CB-CG 4.21Å; P99-L102 WeakPolarHBondContact O-CB 3.31Å; P99-L102 PolarHBondContact O-N 3.48Å
103	K	96	Very high	95.5	Very high	117 Å²	117	48 Å²	48	51%	0.509	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-57.8	146.8	174.5	-72.1	-63.9	-174.2	179.1	0	110.9	D38 Y93 H105	D38-K103 IonicContact OD1-NZ 2.68Å; D38-K103 PolarHBondContact OD1-NZ 3.04Å; D38-K103 VanDerWaalsContact OD2-CD 3.3Å; D38-K103 WeakPolarHBondContact OD2-CD 3.44Å; D38-K103 IonicContact OD2-NZ 2.63Å; D38-K103 PolarHBondContact OD2-NZ 2.81Å; Y93-K103 PolarHBondContact OH-O 3.12Å; K103-H105 PolarHBondContact O-N 3.44Å
104	P	97.7	Very high	95.4	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.052	26%	0.261	C	S	.	.	S	Bend	trans	-53.3	127.9	174.9	-25.6	34	0	0	0	110.5	D38 Y65 L72	D38-P104 HydrophobicContact CB-CG 3.58Å; D38-P104 WeakPolarHBondContact O-CG 3.39Å; Y65-P104 WeakPolarHBondContact CB-O 3.29Å; L72-P104 HydrophobicContact CD1-CB 3.94Å
105	H	97.8	Very high	95.3	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.023	26%	0.26	C	S	.	.			trans	-159.2	154.2	179.9	-157.6	-97.2	0	0	0	111.3	Y65 L72 L84 Y93 K103 F107 T108	Y65-H105 AromaticContact CD2-CD2 3.47Å; Y65-H105 VanDerWaalsContact CD2-CD2 3.47Å; Y65-H105 WeakPolarHBondContact CD2-CD2 3.15Å; Y65-H105 AromaticContact CD2-NE2 3.83Å; Y65-H105 AromaticContact CE2-CD2 3.61Å; Y65-H105 AromaticContact CE2-NE2 3.45Å; Y65-H105 WeakPolarHBondContact CE2-NE2 3.45Å; L72-H105 VanDerWaalsContact CD2-C 3.41Å; L72-H105 WeakPolarHBondContact CD2-O 3.11Å; L84-H105 WeakPolarHBondContact CD1-NE2 3.16Å; L84-H105 PolarHBondContact O-CE1 3.44Å; L84-H105 VanDerWaalsContact O-CE1 3.24Å; L84-H105 PolarHBondContact O-NE2 3.06Å; Y93-H105 HydrophobicContact CE1-CB 3.7Å; Y93-H105 HydrophobicContact CE2-CB 4.13Å; Y93-H105 VanDerWaalsContact CZ-CB 3.45Å; Y93-H105 VanDerWaalsContact OH-CB 3.32Å; Y93-H105 WeakPolarHBondContact OH-CB 3.4Å; K103-H105 PolarHBondContact O-N 3.44Å; H105-F107 AromaticContact CE1-CD1 3.97Å; H105-F107 AromaticContact CE1-CD2 3.29Å; H105-F107 WeakPolarHBondContact CE1-CD2 3.48Å; H105-F107 AromaticContact CE1-CE1 3.98Å; H105-F107 AromaticContact CE1-CE2 3.29Å; H105-F107 WeakPolarHBondContact CE1-CE2 3.49Å; H105-F107 AromaticContact CE1-CG 3.63Å; H105-F107 AromaticContact CE1-CZ 3.63Å; H105-F107 WeakPolarHBondContact ND1-CB 3.16Å; H105-F107 AromaticContact ND1-CD1 3.78Å; H105-F107 AromaticContact ND1-CD2 3.11Å; H105-F107 WeakPolarHBondContact ND1-CD2 3.49Å; H105-F107 AromaticContact ND1-CE2 3.65Å; H105-F107 AromaticContact ND1-CG 3.15Å; H105-F107 WeakPolarHBondContact ND1-CG 3.49Å; H105-F107 PolarHBondContact ND1-N 3.17Å; H105-F107 VanDerWaalsContact ND1-N 3.17Å; H105-F107 PolarHBondContact O-N 3.17Å; H105-F107 VanDerWaalsContact O-N 3.17Å; H105-T108 WeakPolarHBondContact O-CB 3.29Å; H105-T108 PolarHBondContact O-N 2.79Å
106	V	97.5	Very high	95.2	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-26.1	174.6	67.3	0	0	0	0	112.1	Y65 L72 T108 V109 G110 T141 L145	Y65-V106 HydrophobicContact CE1-CB 4.13Å; L72-V106 HydrophobicContact CD2-CB 4.26Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 3.09Å; V106-V109 WeakPolarHBondContact O-CB 3.31Å; V106-V109 PolarHBondContact O-N 3.5Å; V106-G110 PolarHBondContact O-N 2.63Å; V106-T141 HydrophobicContact CG2-CG2 3.82Å; V106-L145 HydrophobicContact CG2-CD1 4.12Å; V106-L145 HydrophobicContact CG2-CD2 3.67Å; V106-L145 HydrophobicContact CG2-CG 3.63Å
107	F	97.6	Very high	95	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-28.1	176.2	-59.2	-24.4	0	0	0	112.9	Y85 L89 M90 Y93 H105 V109 G110 E111 C144 F148	Y85-F107 HydrophobicContact CD1-CZ 4.25Å; L89-F107 HydrophobicContact CB-CE2 4.32Å; L89-F107 HydrophobicContact CD2-CD2 4.44Å; L89-F107 HydrophobicContact CD2-CE2 4.15Å; L89-F107 HydrophobicContact CG-CD2 4.25Å; L89-F107 HydrophobicContact CG-CE2 4.19Å; M90-F107 HydrophobicContact CB-CE2 4.33Å; M90-F107 HydrophobicContact CE-CE1 3.83Å; M90-F107 HydrophobicContact CE-CE2 4.5Å; M90-F107 HydrophobicContact CE-CZ 3.51Å; M90-F107 HydrophobicContact CG-CD1 4.38Å; M90-F107 HydrophobicContact CG-CD2 4.07Å; M90-F107 HydrophobicContact CG-CE1 3.8Å; M90-F107 HydrophobicContact CG-CE2 3.47Å; M90-F107 VanDerWaalsContact CG-CE2 3.47Å; M90-F107 HydrophobicContact CG-CZ 3.33Å; M90-F107 HydrophobicContact SD-CZ 4.26Å; Y93-F107 HydrophobicContact CD1-CB 3.95Å; Y93-F107 HydrophobicContact CD2-CB 4.06Å; Y93-F107 HydrophobicContact CD2-CD2 4.01Å; Y93-F107 HydrophobicContact CG-CB 3.62Å; Y93-F107 HydrophobicContact CG-CD2 4.41Å; H105-F107 AromaticContact CE1-CD1 3.97Å; H105-F107 AromaticContact CE1-CD2 3.29Å; H105-F107 WeakPolarHBondContact CE1-CD2 3.48Å; H105-F107 AromaticContact CE1-CE1 3.98Å; H105-F107 AromaticContact CE1-CE2 3.29Å; H105-F107 WeakPolarHBondContact CE1-CE2 3.49Å; H105-F107 AromaticContact CE1-CG 3.63Å; H105-F107 AromaticContact CE1-CZ 3.63Å; H105-F107 WeakPolarHBondContact ND1-CB 3.16Å; H105-F107 AromaticContact ND1-CD1 3.78Å; H105-F107 AromaticContact ND1-CD2 3.11Å; H105-F107 WeakPolarHBondContact ND1-CD2 3.49Å; H105-F107 AromaticContact ND1-CE2 3.65Å; H105-F107 AromaticContact ND1-CG 3.15Å; H105-F107 WeakPolarHBondContact ND1-CG 3.49Å; H105-F107 PolarHBondContact ND1-N 3.17Å; H105-F107 VanDerWaalsContact ND1-N 3.17Å; H105-F107 PolarHBondContact O-N 3.17Å; H105-F107 VanDerWaalsContact O-N 3.17Å; F107-V109 VanDerWaalsContact C-N 3.31Å; F107-V109 PolarHBondContact O-N 2.71Å; F107-G110 PolarHBondContact O-N 2.95Å; F107-E111 WeakPolarHBondContact O-CB 3.2Å; F107-E111 PolarHBondContact O-N 2.9Å; F107-C144 WeakPolarHBondContact CE1-SG 3.4Å; F107-F148 HydrophobicContact CB-CD2 3.9Å; F107-F148 HydrophobicContact CB-CE2 3.82Å; F107-F148 HydrophobicContact CD1-CB 3.84Å; F107-F148 AromaticContact CD1-CD2 3.47Å; F107-F148 HydrophobicContact CD1-CD2 3.47Å; F107-F148 VanDerWaalsContact CD1-CD2 3.47Å; F107-F148 HydrophobicContact CD1-CE2 4.29Å; F107-F148 AromaticContact CD1-CG 3.83Å; F107-F148 HydrophobicContact CD1-CG 3.83Å; F107-F148 HydrophobicContact CD2-CD2 4.41Å; F107-F148 HydrophobicContact CE1-CB 3.93Å; F107-F148 HydrophobicContact CE1-CD2 4.1Å; F107-F148 HydrophobicContact CE1-CG 4.38Å; F107-F148 AromaticContact CG-CD2 3.67Å; F107-F148 HydrophobicContact CG-CD2 3.67Å; F107-F148 HydrophobicContact CG-CE2 4.08Å; F107-F148 HydrophobicContact CG-CG 4.44Å
108	T	97.3	Very high	94.8	Very high	23 Å²	23	51.9 Å²	51.9	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-41.8	170.3	-53.4	0	0	0	0	110.8	Y93 P99 H105 V106 Q112	Y93-T108 WeakPolarHBondContact CD1-OG1 3.27Å; Y93-T108 WeakPolarHBondContact CE1-OG1 3.34Å; P99-T108 HydrophobicContact CB-CG2 4.41Å; P99-T108 PolarHBondContact O-OG1 3.3Å; H105-T108 WeakPolarHBondContact O-CB 3.29Å; H105-T108 PolarHBondContact O-N 2.79Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 3.09Å; T108-Q112 WeakPolarHBondContact O-CB 3.44Å; T108-Q112 PolarHBondContact O-N 3.21Å
109	V	97.3	Very high	94.5	Very high	49 Å²	49	51.6 Å²	51.6	30%	0.297	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-48.3	177.1	-177.2	0	0	0	0	110.2	L72 V106 F107 E111 Q112 T113 I128	L72-V109 HydrophobicContact CB-CG2 4.13Å; L72-V109 HydrophobicContact CD2-CG2 3.96Å; V106-V109 WeakPolarHBondContact O-CB 3.31Å; V106-V109 PolarHBondContact O-N 3.5Å; F107-V109 VanDerWaalsContact C-N 3.31Å; F107-V109 PolarHBondContact O-N 2.71Å; V109-E111 PolarHBondContact O-N 3Å; V109-Q112 PolarHBondContact O-N 2.96Å; V109-T113 PolarHBondContact O-N 2.99Å; V109-T113 PolarHBondContact O-OG1 3.21Å; V109-I128 HydrophobicContact CG1-CD1 4.06Å; V109-I128 HydrophobicContact CG1-CG1 4.26Å; V109-I128 HydrophobicContact CG1-CG2 4.17Å
110	G	96.6	Very high	94	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-46.8	176.4	0	0	0	0	0	112.7	V106 F107 T113 Y114 Y149	V106-G110 PolarHBondContact O-N 2.63Å; F107-G110 PolarHBondContact O-N 2.95Å; G110-T113 PolarHBondContact O-N 3.48Å; G110-Y114 WeakPolarHBondContact O-CB 3.37Å; G110-Y114 PolarHBondContact O-N 2.95Å; G110-Y149 WeakPolarHBondContact O-CE1 3.4Å; G110-Y149 PolarHBondContact O-OH 2.61Å
111	E	96.4	Very high	93.6	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-42	179.8	-177.3	58.9	-165.3	0	0	112	H94 P99 F107 V109 T113 Y114 R115 F148	H94-E111 IonicContact CE1-OE1 2.94Å; H94-E111 IonicContact CE1-OE2 2.81Å; H94-E111 IonicContact CG-OE2 2.68Å; H94-E111 IonicContact ND1-OE1 3.27Å; H94-E111 PolarHBondContact ND1-OE1 3.14Å; H94-E111 IonicContact ND1-OE2 3.34Å; H94-E111 PolarHBondContact ND1-OE2 3.46Å; P99-E111 HydrophobicContact CB-CG 4.22Å; P99-E111 HydrophobicContact CG-CB 4.49Å; P99-E111 HydrophobicContact CG-CG 3.92Å; F107-E111 WeakPolarHBondContact O-CB 3.2Å; F107-E111 PolarHBondContact O-N 2.9Å; V109-E111 PolarHBondContact O-N 3Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 3.46Å; E111-Y114 PolarHBondContact O-N 3.17Å; E111-R115 HydrophobicContact CG-CG 4.48Å; E111-R115 WeakPolarHBondContact O-CB 3.38Å; E111-R115 WeakPolarHBondContact O-CG 3.5Å; E111-R115 PolarHBondContact O-N 2.95Å; E111-R115 IonicContact OE1-CZ 3.27Å; E111-R115 VanDerWaalsContact OE1-CZ 3.27Å; E111-R115 IonicContact OE1-NE 2.95Å; E111-R115 PolarHBondContact OE1-NE 3.2Å; E111-R115 IonicContact OE1-NH2 3.44Å; E111-R115 PolarHBondContact OE1-NH2 3.49Å; E111-F148 HydrophobicContact CB-CE1 4.33Å; E111-F148 HydrophobicContact CB-CZ 3.89Å; E111-F148 WeakPolarHBondContact OE2-CZ 3.46Å
112	Q	95.1	Very high	93.4	Very high	86 Å²	86	58.9 Å²	58.9	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-45.8	175.8	-174.5	62.6	57.8	0	0	111.1	T108 V109 R115 N116	T108-Q112 WeakPolarHBondContact O-CB 3.44Å; T108-Q112 PolarHBondContact O-N 3.21Å; V109-Q112 PolarHBondContact O-N 2.96Å; Q112-R115 PolarHBondContact O-N 3.46Å; Q112-N116 PolarHBondContact NE2-OD1 2.91Å; Q112-N116 WeakPolarHBondContact O-CB 3.45Å; Q112-N116 PolarHBondContact O-N 3.37Å; Q112-N116 PolarHBondContact O-OD1 3.28Å
113	T	95.1	Very high	93.1	Very high	22 Å²	22	60.8 Å²	60.8	14%	0.135	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-45.1	175.5	-66.2	0	0	0	0	111.7	V109 G110 E111 R115 N116 V117 Q126 I128 Y149	V109-T113 PolarHBondContact O-N 2.99Å; V109-T113 PolarHBondContact O-OG1 3.21Å; G110-T113 PolarHBondContact O-N 3.48Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 3.46Å; T113-R115 PolarHBondContact O-N 3.42Å; T113-N116 PolarHBondContact O-N 3.38Å; T113-V117 WeakPolarHBondContact O-CG2 3.48Å; T113-V117 PolarHBondContact O-N 3.26Å; T113-Q126 HydrophobicContact CG2-CB 3.55Å; T113-Q126 HydrophobicContact CG2-CG 3.97Å; T113-I128 HydrophobicContact CG2-CD1 4.28Å; T113-I128 HydrophobicContact CG2-CG1 4.46Å; T113-Y149 WeakPolarHBondContact CB-OH 3.07Å; T113-Y149 VanDerWaalsContact CG2-OH 3.3Å; T113-Y149 WeakPolarHBondContact CG2-OH 3.16Å
114	Y	94.1	Very high	93	Very high	45 Å²	45	59 Å²	59	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-47.1	177.7	179.9	-93	0	0	0	111.9	H94 G110 E111 V117 K118 Y149 V152	H94-Y114 AromaticContact CE1-CE1 3.68Å; G110-Y114 WeakPolarHBondContact O-CB 3.37Å; G110-Y114 PolarHBondContact O-N 2.95Å; E111-Y114 PolarHBondContact O-N 3.17Å; Y114-V117 PolarHBondContact O-N 3.25Å; Y114-K118 HydrophobicContact CD1-CG 4.19Å; Y114-K118 HydrophobicContact CE1-CD 4.28Å; Y114-K118 HydrophobicContact CE1-CG 3.79Å; Y114-K118 WeakPolarHBondContact O-CB 3.4Å; Y114-K118 WeakPolarHBondContact O-CG 3.39Å; Y114-K118 PolarHBondContact O-N 3.22Å; Y114-K118 WeakPolarHBondContact OH-CE 3.48Å; Y114-K118 PolarHBondContact OH-NZ 3.09Å; Y114-Y149 HydrophobicContact CD2-CD1 4.48Å; Y114-V152 HydrophobicContact CD2-CG2 4.06Å; Y114-V152 HydrophobicContact CE2-CG2 4.05Å; Y114-V152 HydrophobicContact CG-CG2 4.49Å
115	R	93.4	Very high	92.8	Very high	68 Å²	68	66.2 Å²	66.2	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.8	-72.7	-179.1	-170.9	-170.5	6.5	112.2	H94 A96 P97 E111 Q112 T113 V117 K118 S119	H94-R115 PolarHBondContact O-NH2 3.05Å; A96-R115 PolarHBondContact O-NH2 2.88Å; P97-R115 PolarHBondContact O-NH1 3.42Å; E111-R115 HydrophobicContact CG-CG 4.48Å; E111-R115 WeakPolarHBondContact O-CB 3.38Å; E111-R115 WeakPolarHBondContact O-CG 3.5Å; E111-R115 PolarHBondContact O-N 2.95Å; E111-R115 IonicContact OE1-CZ 3.27Å; E111-R115 VanDerWaalsContact OE1-CZ 3.27Å; E111-R115 IonicContact OE1-NE 2.95Å; E111-R115 PolarHBondContact OE1-NE 3.2Å; E111-R115 IonicContact OE1-NH2 3.44Å; E111-R115 PolarHBondContact OE1-NH2 3.49Å; Q112-R115 PolarHBondContact O-N 3.46Å; T113-R115 PolarHBondContact O-N 3.42Å; R115-V117 VanDerWaalsContact C-N 3.28Å; R115-V117 PolarHBondContact O-N 2.97Å; R115-K118 CarbonylContact O-C 3.6Å; R115-K118 PolarHBondContact O-N 3.44Å; R115-K118 VanDerWaalsContact O-N 3.1Å; R115-S119 VanDerWaalsContact O-CB 3.28Å; R115-S119 WeakPolarHBondContact O-CB 3.35Å; R115-S119 PolarHBondContact O-N 3.34Å; R115-S119 PolarHBondContact O-OG 3.11Å
116	N	93.3	Very high	92.7	Very high	51 Å²	51	69.7 Å²	69.7	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-58.6	-40.7	178.2	-70.4	-4.5	0	0	0	112	Q112 T113 S119 Q126	Q112-N116 PolarHBondContact NE2-OD1 2.91Å; Q112-N116 WeakPolarHBondContact O-CB 3.45Å; Q112-N116 PolarHBondContact O-N 3.37Å; Q112-N116 PolarHBondContact O-OD1 3.28Å; T113-N116 PolarHBondContact O-N 3.38Å; N116-S119 PolarHBondContact O-OG 3.37Å; N116-Q126 HydrophobicContact CB-CG 4.24Å; N116-Q126 PolarHBondContact ND2-OE1 3.47Å
117	V	92.4	Very high	92.6	Very high	56 Å²	56	74.5 Å²	74.5	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-40.9	176	175.6	0	0	0	0	111	T113 Y114 R115 P123 Q126	T113-V117 WeakPolarHBondContact O-CG2 3.48Å; T113-V117 PolarHBondContact O-N 3.26Å; Y114-V117 PolarHBondContact O-N 3.25Å; R115-V117 VanDerWaalsContact C-N 3.28Å; R115-V117 PolarHBondContact O-N 2.97Å; V117-P123 HydrophobicContact CG1-CB 4.07Å; V117-Q126 HydrophobicContact CG2-CB 4.38Å; V117-Q126 HydrophobicContact CG2-CG 3.52Å
118	K	89.4	Confident	92.6	Very high	142 Å²	142	77.2 Å²	77.2	62%	0.617	41%	0.413	S	S	*	.	H	α-helix	trans	-77.5	-26.8	-175.9	-78.8	-94.9	178.8	158.4	0	114.7	Y114 R115 L120	Y114-K118 HydrophobicContact CD1-CG 4.19Å; Y114-K118 HydrophobicContact CE1-CD 4.28Å; Y114-K118 HydrophobicContact CE1-CG 3.79Å; Y114-K118 WeakPolarHBondContact O-CB 3.4Å; Y114-K118 WeakPolarHBondContact O-CG 3.39Å; Y114-K118 PolarHBondContact O-N 3.22Å; Y114-K118 WeakPolarHBondContact OH-CE 3.48Å; Y114-K118 PolarHBondContact OH-NZ 3.09Å; R115-K118 CarbonylContact O-C 3.6Å; R115-K118 PolarHBondContact O-N 3.44Å; R115-K118 VanDerWaalsContact O-N 3.1Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.35Å
119	S	87.4	Confident	92.6	Very high	87 Å²	87	82.1 Å²	82.1	61%	0.608	44%	0.442	S	S	*	.	S	Bend	trans	-78.7	-15.5	-170.9	59.9	0	0	0	0	114.1	R115 N116	R115-S119 VanDerWaalsContact O-CB 3.28Å; R115-S119 WeakPolarHBondContact O-CB 3.35Å; R115-S119 PolarHBondContact O-N 3.34Å; R115-S119 PolarHBondContact O-OG 3.11Å; N116-S119 PolarHBondContact O-OG 3.37Å
120	L	81.6	Confident	92.5	Very high	82 Å²	82	81.9 Å²	81.9	43%	0.429	44%	0.44	S	S	.	.	S	Bend	trans	-101	141.3	-174.9	-59	177	0	0	0	110.5	K118 E122 V124	K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.35Å; L120-E122 WeakPolarHBondContact CB-O 3.43Å; L120-E122 PolarHBondContact O-N 3.2Å; L120-V124 HydrophobicContact CD1-CB 4.08Å; L120-V124 HydrophobicContact CD1-CG2 3.67Å
121	I	82.3	Confident	92.6	Very high	177 Å²	177	86.9 Å²	86.9	91%	0.908	48%	0.475	S	S	*	.	S	Bend	trans	-59.2	-41.4	173	-62	172.1	0	0	0	109.6
122	E	88.2	Confident	92.6	Very high	160 Å²	160	88.9 Å²	88.9	75%	0.748	50%	0.497	S	S	*	.	S	Bend	trans	-107.2	109.3	169.6	-68	-174.1	176.9	0	0	109.1	L120 V124	L120-E122 WeakPolarHBondContact CB-O 3.43Å; L120-E122 PolarHBondContact O-N 3.2Å; E122-V124 PolarHBondContact O-N 3.45Å
123	P	89.4	Confident	92.6	Very high	90 Å²	90	92.7 Å²	92.7	58%	0.584	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-61.2	130.7	-179.8	-24	33.8	0	0	0	111.9	V117	V117-P123 HydrophobicContact CG1-CB 4.07Å
124	V	92.8	Very high	92.7	Very high	81 Å²	81	97.6 Å²	97.6	49%	0.491	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-100.7	128.5	173.9	178.1	0	0	0	0	109.5	L120 E122 Q126	L120-V124 HydrophobicContact CD1-CB 4.08Å; L120-V124 HydrophobicContact CD1-CG2 3.67Å; E122-V124 PolarHBondContact O-N 3.45Å; V124-Q126 PolarHBondContact O-N 3.34Å; V124-Q126 PolarHBondContact O-NE2 2.83Å; V124-Q126 VanDerWaalsContact O-NE2 3.11Å
125	N	93.6	Very high	92.6	Very high	159 Å²	159	97.8 Å²	97.8	85%	0.85	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-54.9	135.6	177.3	-68.1	-36.8	0	0	0	111.4
126	Q	95.4	Very high	92.7	Very high	78 Å²	78	96.4 Å²	96.4	36%	0.364	57%	0.569	S	S	.	*			trans	-113.9	153.2	179	-57.6	-66.3	-72.5	0	0	110.4	T113 N116 V117 V124	T113-Q126 HydrophobicContact CG2-CB 3.55Å; T113-Q126 HydrophobicContact CG2-CG 3.97Å; N116-Q126 HydrophobicContact CB-CG 4.24Å; N116-Q126 PolarHBondContact ND2-OE1 3.47Å; V117-Q126 HydrophobicContact CG2-CB 4.38Å; V117-Q126 HydrophobicContact CG2-CG 3.52Å; V124-Q126 PolarHBondContact O-N 3.34Å; V124-Q126 PolarHBondContact O-NE2 2.83Å; V124-Q126 VanDerWaalsContact O-NE2 3.11Å
127	S	96.3	Very high	92.8	Very high	104 Å²	104	95 Å²	95	73%	0.727	57%	0.567	S	S	*	*			trans	-127.3	140.8	172.9	61.2	0	0	0	0	110.8
128	I	96.7	Very high	92.9	Very high	58 Å²	58	95.6 Å²	95.6	30%	0.297	57%	0.565	S	S	.	*			trans	-115.8	119.6	169	-61	174.1	0	0	0	106.9	V109 T113 V130 L145 Y149	V109-I128 HydrophobicContact CG1-CD1 4.06Å; V109-I128 HydrophobicContact CG1-CG1 4.26Å; V109-I128 HydrophobicContact CG1-CG2 4.17Å; T113-I128 HydrophobicContact CG2-CD1 4.28Å; T113-I128 HydrophobicContact CG2-CG1 4.46Å; I128-V130 HydrophobicContact CG2-CG2 4.23Å; I128-L145 HydrophobicContact CB-CD1 4.49Å; I128-L145 HydrophobicContact CD1-CD1 3.97Å; I128-L145 HydrophobicContact CD1-CD2 3.91Å; I128-L145 HydrophobicContact CG2-CD1 3.88Å; I128-Y149 VanDerWaalsContact CD1-OH 3.22Å; I128-Y149 WeakPolarHBondContact CD1-OH 3.28Å
129	V	97.3	Very high	93	Very high	125 Å²	125	92.1 Å²	92.1	76%	0.758	56%	0.556	S	S	*	*			trans	-97.6	117.4	178.6	-177.9	0	0	0	0	108.8
130	V	96.9	Very high	93.1	Very high	44 Å²	44	94 Å²	94	27%	0.267	55%	0.55	S	S	.	.			trans	-106.2	107.3	176.1	-171.7	0	0	0	0	108.8	I128 K138 T141	I128-V130 HydrophobicContact CG2-CG2 4.23Å; V130-K138 HydrophobicContact CG1-CB 4.02Å; V130-K138 HydrophobicContact CG1-CG 4.15Å; V130-T141 HydrophobicContact CG1-CG2 4.05Å; V130-T141 HydrophobicContact CG2-CG2 4.2Å
131	S	96.9	Very high	93.7	Very high	105 Å²	105	91.1 Å²	91.1	73%	0.734	54%	0.536	S	S	*	.			trans	-107	163	-179	61.6	0	0	0	0	112.2
132	G	96.3	Very high	94.2	Very high	46 Å²	46	85 Å²	85	47%	0.474	51%	0.508	S	S	.	.			trans	144.7	162.8	178.8	0	0	0	0	0	113	K138	G132-K138 WeakPolarHBondContact O-CD 3.24Å; G132-K138 WeakPolarHBondContact O-CE 3.34Å; G132-K138 PolarHBondContact O-NZ 2.68Å
133	E	96.1	Very high	94.3	Very high	166 Å²	166	80.8 Å²	80.8	78%	0.776	49%	0.485	S	S	*	.	S	Bend	trans	-69.2	175.6	178.1	-65.1	-176.2	176.1	0	0	112.7	G135 A136 K138	E133-G135 PolarHBondContact O-N 3.32Å; E133-A136 VanDerWaalsContact O-CB 3.24Å; E133-A136 WeakPolarHBondContact O-CB 3.43Å; E133-A136 PolarHBondContact O-N 2.87Å; E133-K138 PolarHBondContact O-NZ 3.5Å
134	S	96.3	Very high	94.4	Very high	125 Å²	125	76.7 Å²	76.7	87%	0.874	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	135.6	171.4	-167.9	0	0	0	0	109.9	A136	S134-A136 VanDerWaalsContact C-N 3.28Å; S134-A136 PolarHBondContact O-N 2.97Å
135	G	93.4	Very high	94.5	Very high	49 Å²	49	73.1 Å²	73.1	51%	0.505	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-4.8	-176.5	0	0	0	0	0	115.9	N76 E133 G137	N76-G135 PolarHBondContact ND2-O 2.93Å; E133-G135 PolarHBondContact O-N 3.32Å; G135-G137 PolarHBondContact O-N 3.19Å; G135-G137 VanDerWaalsContact O-N 3.11Å
136	A	95.1	Very high	94.4	Very high	40 Å²	40	69.4 Å²	69.4	33%	0.331	42%	0.416	S	S	.	.	S	Bend	trans	-67.6	-9.4	178.6	0	0	0	0	0	114.7	E133 S134	E133-A136 VanDerWaalsContact O-CB 3.24Å; E133-A136 WeakPolarHBondContact O-CB 3.43Å; E133-A136 PolarHBondContact O-N 2.87Å; S134-A136 VanDerWaalsContact C-N 3.28Å; S134-A136 PolarHBondContact O-N 2.97Å
137	G	94.4	Very high	94.1	Very high	22 Å²	22	69 Å²	69	23%	0.227	41%	0.413	C	S	.	.	S	Bend	trans	95	13.9	178.1	0	0	0	0	0	115.6	G135 T139 W140 T141	G135-G137 PolarHBondContact O-N 3.19Å; G135-G137 VanDerWaalsContact O-N 3.11Å; G137-T139 PolarHBondContact O-N 2.79Å; G137-W140 WeakPolarHBondContact O-CB 3.48Å; G137-W140 PolarHBondContact O-N 3.41Å; G137-W140 VanDerWaalsContact O-N 3.09Å; G137-T141 PolarHBondContact O-N 3.26Å; G137-T141 PolarHBondContact O-OG1 3.38Å
138	K	94.8	Very high	93.9	Very high	67 Å²	67	64.1 Å²	64.1	29%	0.291	38%	0.378	S	S	.	.	H	α-helix	trans	-50.1	-53.4	-178.9	-60.2	-173.3	-66.6	-73.2	0	113.7	V130 G132 E133 W140 T141 S142	V130-K138 HydrophobicContact CG1-CB 4.02Å; V130-K138 HydrophobicContact CG1-CG 4.15Å; G132-K138 WeakPolarHBondContact O-CD 3.24Å; G132-K138 WeakPolarHBondContact O-CE 3.34Å; G132-K138 PolarHBondContact O-NZ 2.68Å; E133-K138 PolarHBondContact O-NZ 3.5Å; K138-W140 VanDerWaalsContact C-N 3.28Å; K138-W140 PolarHBondContact O-N 3.16Å; K138-T141 PolarHBondContact O-N 3.45Å; K138-S142 PolarHBondContact O-N 2.97Å; K138-S142 PolarHBondContact O-OG 3.19Å
139	T	91.2	Very high	93.7	Very high	69 Å²	69	63.8 Å²	63.8	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-37.8	-179.8	-52.7	0	0	0	0	112.1	G137 R143 N176	G137-T139 PolarHBondContact O-N 2.79Å; T139-R143 WeakPolarHBondContact O-CB 3.37Å; T139-R143 VanDerWaalsContact O-CG 3.31Å; T139-R143 WeakPolarHBondContact O-CG 3.24Å; T139-R143 PolarHBondContact O-N 2.83Å; T139-N176 HydrophobicContact CG2-CB 4.22Å; T139-N176 WeakPolarHBondContact CG2-OD1 3.47Å
140	W	90.9	Very high	93.2	Very high	127 Å²	127	58.5 Å²	58.5	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-66.8	-46.3	177.3	-174.1	-99	0	0	0	111.6	Y85 G137 K138 S142 R143 C144	Y85-W140 HydrophobicContact CD2-CZ2 4.36Å; Y85-W140 AromaticContact CD2-NE1 3.8Å; Y85-W140 AromaticContact CE2-NE1 3.29Å; Y85-W140 VanDerWaalsContact CE2-NE1 3.29Å; Y85-W140 AromaticContact CZ-NE1 3.59Å; G137-W140 WeakPolarHBondContact O-CB 3.48Å; G137-W140 PolarHBondContact O-N 3.41Å; G137-W140 VanDerWaalsContact O-N 3.09Å; K138-W140 VanDerWaalsContact C-N 3.28Å; K138-W140 PolarHBondContact O-N 3.16Å; W140-S142 VanDerWaalsContact C-N 3.35Å; W140-S142 PolarHBondContact O-N 2.97Å; W140-R143 WeakPolarHBondContact O-CB 3.49Å; W140-R143 PolarHBondContact O-N 2.87Å; W140-C144 WeakPolarHBondContact O-CB 3Å; W140-C144 PolarHBondContact O-N 3.4Å
141	T	94.5	Very high	92.7	Very high	22 Å²	22	58.4 Å²	58.4	14%	0.135	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-45.7	175.3	-61.5	0	0	0	0	111.6	V106 V130 G137 K138 R143 C144 L145	V106-T141 HydrophobicContact CG2-CG2 3.82Å; V130-T141 HydrophobicContact CG1-CG2 4.05Å; V130-T141 HydrophobicContact CG2-CG2 4.2Å; G137-T141 PolarHBondContact O-N 3.26Å; G137-T141 PolarHBondContact O-OG1 3.38Å; K138-T141 PolarHBondContact O-N 3.45Å; T141-R143 PolarHBondContact O-N 3.04Å; T141-C144 WeakPolarHBondContact O-CB 3.22Å; T141-C144 PolarHBondContact O-N 3.45Å; T141-L145 PolarHBondContact O-N 3.35Å
142	S	92.9	Very high	92.3	Very high	48 Å²	48	54.1 Å²	54.1	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.3	-62.2	0	0	0	0	112.3	K138 W140 C144 L145 M146	K138-S142 PolarHBondContact O-N 2.97Å; K138-S142 PolarHBondContact O-OG 3.19Å; W140-S142 VanDerWaalsContact C-N 3.35Å; W140-S142 PolarHBondContact O-N 2.97Å; S142-C144 VanDerWaalsContact C-N 3.3Å; S142-C144 PolarHBondContact O-N 3.45Å; S142-L145 PolarHBondContact O-N 3.02Å; S142-M146 VanDerWaalsContact O-CG 3.28Å; S142-M146 WeakPolarHBondContact O-CG 3.4Å; S142-M146 PolarHBondContact O-N 3.4Å; S142-M146 VanDerWaalsContact O-N 3.12Å
143	R	89.2	Confident	91.5	Very high	71 Å²	71	55.2 Å²	55.2	27%	0.268	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-41.3	174.4	-76.3	166.1	62.2	146.1	-7.8	111.7	T139 W140 T141 M146 K147 I172	T139-R143 WeakPolarHBondContact O-CB 3.37Å; T139-R143 VanDerWaalsContact O-CG 3.31Å; T139-R143 WeakPolarHBondContact O-CG 3.24Å; T139-R143 PolarHBondContact O-N 2.83Å; W140-R143 WeakPolarHBondContact O-CB 3.49Å; W140-R143 PolarHBondContact O-N 2.87Å; T141-R143 PolarHBondContact O-N 3.04Å; R143-M146 PolarHBondContact O-N 3.27Å; R143-K147 WeakPolarHBondContact O-CG 3.49Å; R143-K147 PolarHBondContact O-N 3.39Å; R143-I172 HydrophobicContact CG-CG2 3.92Å
144	C	92.1	Very high	90.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-44.1	178.9	-170.9	0	0	0	0	112.5	Y85 F107 W140 T141 S142 M146 K147 F148	Y85-C144 HydrophobicContact CD1-CB 4.42Å; Y85-C144 WeakPolarHBondContact CD1-SG 3.38Å; Y85-C144 HydrophobicContact CE1-CB 4.49Å; F107-C144 WeakPolarHBondContact CE1-SG 3.4Å; W140-C144 WeakPolarHBondContact O-CB 3Å; W140-C144 PolarHBondContact O-N 3.4Å; T141-C144 WeakPolarHBondContact O-CB 3.22Å; T141-C144 PolarHBondContact O-N 3.45Å; S142-C144 VanDerWaalsContact C-N 3.3Å; S142-C144 PolarHBondContact O-N 3.45Å; C144-M146 VanDerWaalsContact C-N 3.31Å; C144-M146 PolarHBondContact O-N 3.36Å; C144-K147 PolarHBondContact O-N 3.3Å; C144-F148 WeakPolarHBondContact O-CB 3.31Å; C144-F148 PolarHBondContact O-N 3.23Å
145	L	94.3	Very high	88.6	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-42.4	173.6	-78.9	164.8	0	0	0	112.2	V106 I128 T141 S142 F148 Y149	V106-L145 HydrophobicContact CG2-CD1 4.12Å; V106-L145 HydrophobicContact CG2-CD2 3.67Å; V106-L145 HydrophobicContact CG2-CG 3.63Å; I128-L145 HydrophobicContact CB-CD1 4.49Å; I128-L145 HydrophobicContact CD1-CD1 3.97Å; I128-L145 HydrophobicContact CD1-CD2 3.91Å; I128-L145 HydrophobicContact CG2-CD1 3.88Å; T141-L145 PolarHBondContact O-N 3.35Å; S142-L145 PolarHBondContact O-N 3.02Å; L145-F148 WeakPolarHBondContact O-CB 3.48Å; L145-F148 PolarHBondContact O-N 3.29Å; L145-Y149 HydrophobicContact CB-CE2 4.43Å; L145-Y149 WeakPolarHBondContact O-CD2 3.36Å; L145-Y149 PolarHBondContact O-N 3.26Å
146	M	90.6	Very high	86.8	Confident	80 Å²	80	49.5 Å²	49.5	39%	0.394	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-39.5	179.7	-64.5	-67.3	151.7	0	0	112.4	S142 R143 C144 F148 Y149 A150 I172	S142-M146 VanDerWaalsContact O-CG 3.28Å; S142-M146 WeakPolarHBondContact O-CG 3.4Å; S142-M146 PolarHBondContact O-N 3.4Å; S142-M146 VanDerWaalsContact O-N 3.12Å; R143-M146 PolarHBondContact O-N 3.27Å; C144-M146 VanDerWaalsContact C-N 3.31Å; C144-M146 PolarHBondContact O-N 3.36Å; M146-F148 VanDerWaalsContact C-N 3.32Å; M146-Y149 PolarHBondContact O-N 3.32Å; M146-Y149 HydrophobicContact SD-CD2 4.37Å; M146-A150 WeakPolarHBondContact O-CB 3.17Å; M146-A150 PolarHBondContact O-N 2.98Å; M146-I172 HydrophobicContact CB-CD1 3.25Å; M146-I172 HydrophobicContact CG-CD1 3.38Å; M146-I172 HydrophobicContact CG-CG1 4.31Å; M146-I172 HydrophobicContact SD-CD1 3.99Å
147	K	89.3	Confident	84.8	Confident	71 Å²	71	52 Å²	52	31%	0.309	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-44.5	170.9	-72.2	177.8	179.9	-120.7	0	111.3	M90 R143 C144 Y149 A150 V151 E169	M90-K147 HydrophobicContact CE-CB 3.88Å; R143-K147 WeakPolarHBondContact O-CG 3.49Å; R143-K147 PolarHBondContact O-N 3.39Å; C144-K147 PolarHBondContact O-N 3.3Å; K147-Y149 PolarHBondContact O-N 3.36Å; K147-A150 WeakPolarHBondContact O-CB 3.49Å; K147-A150 PolarHBondContact O-N 2.72Å; K147-V151 WeakPolarHBondContact O-CG2 3.3Å; K147-V151 PolarHBondContact O-N 2.91Å; K147-E169 WeakPolarHBondContact CE-OE1 3.49Å; K147-E169 IonicContact NZ-OE1 2.97Å; K147-E169 PolarHBondContact NZ-OE1 3.01Å
148	F	93.1	Very high	82.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.4	-51.2	175.2	174.5	-93.7	0	0	0	111.1	M90 F107 E111 C144 L145 M146 A150 V151 V152	M90-F148 HydrophobicContact CB-CD2 3.85Å; M90-F148 HydrophobicContact CB-CE2 4.36Å; M90-F148 HydrophobicContact CG-CD2 3.96Å; M90-F148 WeakPolarHBondContact O-CE2 3.4Å; M90-F148 HydrophobicContact SD-CB 4.42Å; F107-F148 HydrophobicContact CB-CD2 3.9Å; F107-F148 HydrophobicContact CB-CE2 3.82Å; F107-F148 HydrophobicContact CD1-CB 3.84Å; F107-F148 AromaticContact CD1-CD2 3.47Å; F107-F148 HydrophobicContact CD1-CD2 3.47Å; F107-F148 VanDerWaalsContact CD1-CD2 3.47Å; F107-F148 HydrophobicContact CD1-CE2 4.29Å; F107-F148 AromaticContact CD1-CG 3.83Å; F107-F148 HydrophobicContact CD1-CG 3.83Å; F107-F148 HydrophobicContact CD2-CD2 4.41Å; F107-F148 HydrophobicContact CE1-CB 3.93Å; F107-F148 HydrophobicContact CE1-CD2 4.1Å; F107-F148 HydrophobicContact CE1-CG 4.38Å; F107-F148 AromaticContact CG-CD2 3.67Å; F107-F148 HydrophobicContact CG-CD2 3.67Å; F107-F148 HydrophobicContact CG-CE2 4.08Å; F107-F148 HydrophobicContact CG-CG 4.44Å; E111-F148 HydrophobicContact CB-CE1 4.33Å; E111-F148 HydrophobicContact CB-CZ 3.89Å; E111-F148 WeakPolarHBondContact OE2-CZ 3.46Å; C144-F148 WeakPolarHBondContact O-CB 3.31Å; C144-F148 PolarHBondContact O-N 3.23Å; L145-F148 WeakPolarHBondContact O-CB 3.48Å; L145-F148 PolarHBondContact O-N 3.29Å; M146-F148 VanDerWaalsContact C-N 3.32Å; F148-A150 VanDerWaalsContact C-N 3.32Å; F148-A150 PolarHBondContact O-N 2.93Å; F148-V151 PolarHBondContact O-N 2.92Å; F148-V152 HydrophobicContact CD1-CG2 4.42Å; F148-V152 HydrophobicContact CD2-CG1 4.27Å; F148-V152 HydrophobicContact CE1-CG1 4.17Å; F148-V152 HydrophobicContact CE1-CG2 4.11Å; F148-V152 HydrophobicContact CE2-CG1 3.86Å; F148-V152 HydrophobicContact CZ-CG1 3.79Å; F148-V152 WeakPolarHBondContact O-CG1 3.37Å; F148-V152 WeakPolarHBondContact O-CG2 3.22Å; F148-V152 PolarHBondContact O-N 2.97Å
149	Y	91.9	Very high	81.2	Confident	51 Å²	51	59.4 Å²	59.4	20%	0.2	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-39.8	177	-65.1	-44.5	0	0	0	113.4	G110 T113 Y114 I128 L145 M146 K147 V151 V152 A153	G110-Y149 WeakPolarHBondContact O-CE1 3.4Å; G110-Y149 PolarHBondContact O-OH 2.61Å; T113-Y149 WeakPolarHBondContact CB-OH 3.07Å; T113-Y149 VanDerWaalsContact CG2-OH 3.3Å; T113-Y149 WeakPolarHBondContact CG2-OH 3.16Å; Y114-Y149 HydrophobicContact CD2-CD1 4.48Å; I128-Y149 VanDerWaalsContact CD1-OH 3.22Å; I128-Y149 WeakPolarHBondContact CD1-OH 3.28Å; L145-Y149 HydrophobicContact CB-CE2 4.43Å; L145-Y149 WeakPolarHBondContact O-CD2 3.36Å; L145-Y149 PolarHBondContact O-N 3.26Å; M146-Y149 PolarHBondContact O-N 3.32Å; M146-Y149 HydrophobicContact SD-CD2 4.37Å; K147-Y149 PolarHBondContact O-N 3.36Å; Y149-V151 VanDerWaalsContact C-N 3.32Å; Y149-V151 PolarHBondContact O-N 3.33Å; Y149-V152 PolarHBondContact O-N 3.12Å; Y149-A153 WeakPolarHBondContact O-CB 3.44Å; Y149-A153 PolarHBondContact O-N 3.01Å
150	A	86.5	Confident	79.7	Confident	14 Å²	14	63.3 Å²	63.3	12%	0.116	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-42.3	176.8	0	0	0	0	0	111.4	M146 K147 F148 T154 A165	M146-A150 WeakPolarHBondContact O-CB 3.17Å; M146-A150 PolarHBondContact O-N 2.98Å; K147-A150 WeakPolarHBondContact O-CB 3.49Å; K147-A150 PolarHBondContact O-N 2.72Å; F148-A150 VanDerWaalsContact C-N 3.32Å; F148-A150 PolarHBondContact O-N 2.93Å; A150-T154 PolarHBondContact O-N 3.31Å; A150-T154 PolarHBondContact O-OG1 3.27Å; A150-A165 HydrophobicContact CB-CB 3.8Å
151	V	87	Confident	78.3	Confident	43 Å²	43	58.8 Å²	58.8	26%	0.261	33%	0.33	S	S	.	.	H	α-helix	trans	-69.8	-40.6	178.3	170.4	0	0	0	0	112.6	M90 R91 K147 F148 Y149 T154	M90-V151 HydrophobicContact CB-CG1 4.17Å; M90-V151 HydrophobicContact SD-CB 4.13Å; M90-V151 HydrophobicContact SD-CG1 4.49Å; M90-V151 HydrophobicContact SD-CG2 3.8Å; R91-V151 HydrophobicContact CG-CG1 4.11Å; K147-V151 WeakPolarHBondContact O-CG2 3.3Å; K147-V151 PolarHBondContact O-N 2.91Å; F148-V151 PolarHBondContact O-N 2.92Å; Y149-V151 VanDerWaalsContact C-N 3.32Å; Y149-V151 PolarHBondContact O-N 3.33Å; V151-T154 WeakPolarHBondContact CA-OG1 3.4Å; V151-T154 PolarHBondContact O-OG1 2.98Å
152	V	87.9	Confident	76.8	Confident	15 Å²	15	62.7 Å²	62.7	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-85.8	-20.6	-177	-54.1	0	0	0	0	113.4	H94 Y114 F148 Y149	H94-V152 HydrophobicContact CB-CB 4.41Å; H94-V152 HydrophobicContact CB-CG1 3.59Å; Y114-V152 HydrophobicContact CD2-CG2 4.06Å; Y114-V152 HydrophobicContact CE2-CG2 4.05Å; Y114-V152 HydrophobicContact CG-CG2 4.49Å; F148-V152 HydrophobicContact CD1-CG2 4.42Å; F148-V152 HydrophobicContact CD2-CG1 4.27Å; F148-V152 HydrophobicContact CE1-CG1 4.17Å; F148-V152 HydrophobicContact CE1-CG2 4.11Å; F148-V152 HydrophobicContact CE2-CG1 3.86Å; F148-V152 HydrophobicContact CZ-CG1 3.79Å; F148-V152 WeakPolarHBondContact O-CG1 3.37Å; F148-V152 WeakPolarHBondContact O-CG2 3.22Å; F148-V152 PolarHBondContact O-N 2.97Å; Y149-V152 PolarHBondContact O-N 3.12Å
153	A	80.9	Confident	75.5	Confident	68 Å²	68	66.4 Å²	66.4	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-84.3	-20	174.2	0	0	0	0	0	112.8	Y149 S155	Y149-A153 WeakPolarHBondContact O-CB 3.44Å; Y149-A153 PolarHBondContact O-N 3.01Å; A153-S155 PolarHBondContact O-N 3.25Å
154	T	71.6	Confident	74.6	Confident	29 Å²	29	67.6 Å²	67.6	18%	0.178	37%	0.368	C	S	.	.			trans	-74.3	108.4	176.2	23.3	0	0	0	0	109.9	A150 V151 S161 A165	A150-T154 PolarHBondContact O-N 3.31Å; A150-T154 PolarHBondContact O-OG1 3.27Å; V151-T154 WeakPolarHBondContact CA-OG1 3.4Å; V151-T154 PolarHBondContact O-OG1 2.98Å; T154-S161 WeakPolarHBondContact CG2-O 3.45Å; T154-A165 HydrophobicContact CG2-CB 4.03Å
155	S	58	Low	73.3	Confident	64 Å²	64	68.2 Å²	68.2	45%	0.448	37%	0.373	S	S	.	.			trans	-68.1	132.8	164.4	178.1	0	0	0	0	108.9	A153 A157 S158	A153-S155 PolarHBondContact O-N 3.25Å; S155-A157 PolarHBondContact O-N 2.75Å; S155-A157 PolarHBondContact OG-N 3.48Å; S155-S158 PolarHBondContact O-N 3.06Å
156	P	56.3	Low	72.2	Confident	128 Å²	128	74.1 Å²	74.1	83%	0.831	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-8.6	176.7	22.5	-31.4	0	0	0	113.6
157	A	53.5	Low	71.4	Confident	93 Å²	93	78 Å²	78	77%	0.769	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.6	-178.4	0	0	0	0	0	115.2	S155	S155-A157 PolarHBondContact O-N 2.75Å; S155-A157 PolarHBondContact OG-N 3.48Å
158	S	55.1	Low	70.4	Confident	39 Å²	39	78.3 Å²	78.3	27%	0.273	42%	0.415	S	S	.	.			trans	-136.4	121.9	-175.9	123.1	0	0	0	0	114.5	S155 E160 S161 H162	S155-S158 PolarHBondContact O-N 3.06Å; S158-E160 PolarHBondContact O-N 3.1Å; S158-E160 PolarHBondContact OG-N 3.35Å; S158-S161 PolarHBondContact O-N 3.32Å; S158-S161 WeakPolarHBondContact OG-CB 3.47Å; S158-S161 PolarHBondContact OG-N 3.36Å; S158-S161 PolarHBondContact OG-OG 3.14Å; S158-H162 PolarHBondContact O-ND1 3.18Å
159	W	57.9	Low	69.3	Low	205 Å²	205	81.1 Å²	81.1	78%	0.777	43%	0.428	S	S	*	.	H	α-helix	trans	-60.3	-28.6	169.5	173.5	-81.7	0	0	0	112.1	H162 K163	W159-H162 PolarHBondContact O-N 2.82Å; W159-K163 VanDerWaalsContact NE1-CE 3.28Å; W159-K163 PolarHBondContact O-N 3.2Å
160	E	61.2	Low	68.3	Low	151 Å²	151	83.6 Å²	83.6	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-70.9	-35.2	-178.9	-150.4	142.9	-139.6	0	0	111.9	S158 H162 K163 I164	S158-E160 PolarHBondContact O-N 3.1Å; S158-E160 PolarHBondContact OG-N 3.35Å; E160-H162 VanDerWaalsContact C-N 3.33Å; E160-H162 PolarHBondContact O-N 3.06Å; E160-K163 PolarHBondContact O-N 3.45Å; E160-I164 WeakPolarHBondContact O-CG1 3.44Å; E160-I164 PolarHBondContact O-N 3.5Å
161	S	60.5	Low	67.6	Low	32 Å²	32	90.2 Å²	90.2	22%	0.224	46%	0.463	C	S	.	.	H	α-helix	trans	-64.8	-35.3	175	-58.5	0	0	0	0	112.2	T154 S158 I164 A165	T154-S161 WeakPolarHBondContact CG2-O 3.45Å; S158-S161 PolarHBondContact O-N 3.32Å; S158-S161 WeakPolarHBondContact OG-CB 3.47Å; S158-S161 PolarHBondContact OG-N 3.36Å; S158-S161 PolarHBondContact OG-OG 3.14Å; S161-I164 PolarHBondContact O-N 3.02Å; S161-A165 PolarHBondContact O-N 3.29Å
162	H	62.3	Low	66.6	Low	104 Å²	104	90 Å²	90	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-66.1	-43.1	177.3	-77.2	76.6	0	0	0	112	S158 W159 E160 I164 A165 E166	S158-H162 PolarHBondContact O-ND1 3.18Å; W159-H162 PolarHBondContact O-N 2.82Å; E160-H162 VanDerWaalsContact C-N 3.33Å; E160-H162 PolarHBondContact O-N 3.06Å; H162-I164 VanDerWaalsContact C-N 3.3Å; H162-I164 PolarHBondContact O-N 3.19Å; H162-A165 WeakPolarHBondContact O-CB 3.28Å; H162-A165 PolarHBondContact O-N 2.94Å; H162-E166 PolarHBondContact O-N 3.4Å
163	K	67.4	Low	65.5	Low	125 Å²	125	91.1 Å²	91.1	54%	0.543	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-34.9	175	-74.5	-177.2	171.1	179.1	0	112.7	W159 E160 R167	W159-K163 VanDerWaalsContact NE1-CE 3.28Å; W159-K163 PolarHBondContact O-N 3.2Å; E160-K163 PolarHBondContact O-N 3.45Å; K163-R167 VanDerWaalsContact O-CB 3.26Å; K163-R167 WeakPolarHBondContact O-CB 3.23Å; K163-R167 PolarHBondContact O-N 3.34Å
164	I	68.6	Low	64.9	Low	97 Å²	97	94 Å²	94	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-68.4	-45	176.5	-67.5	166.1	0	0	0	110.4	E160 S161 H162 R167 I168	E160-I164 WeakPolarHBondContact O-CG1 3.44Å; E160-I164 PolarHBondContact O-N 3.5Å; S161-I164 PolarHBondContact O-N 3.02Å; H162-I164 VanDerWaalsContact C-N 3.3Å; H162-I164 PolarHBondContact O-N 3.19Å; I164-R167 PolarHBondContact O-N 3.48Å; I164-I168 HydrophobicContact CG2-CD1 3.79Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.36Å; I164-I168 PolarHBondContact O-N 2.83Å
165	A	66.3	Low	64.5	Low	17 Å²	17	97.4 Å²	97.4	14%	0.14	50%	0.497	C	S	.	.	H	α-helix	trans	-56.7	-50.1	175.4	0	0	0	0	0	112	A150 T154 S161 H162 R167 I168 E169	A150-A165 HydrophobicContact CB-CB 3.8Å; T154-A165 HydrophobicContact CG2-CB 4.03Å; S161-A165 PolarHBondContact O-N 3.29Å; H162-A165 WeakPolarHBondContact O-CB 3.28Å; H162-A165 PolarHBondContact O-N 2.94Å; A165-R167 VanDerWaalsContact C-N 3.32Å; A165-R167 PolarHBondContact O-N 3.33Å; A165-I168 PolarHBondContact O-N 3.46Å; A165-E169 PolarHBondContact O-N 3.01Å
166	E	69.7	Low	64.2	Low	131 Å²	131	101.4 Å²	101.4	61%	0.612	51%	0.513	S	S	*	.	H	α-helix	trans	-59.9	-41.6	175.5	-75.8	-172	155.3	0	0	112	H162 I168 E169 Q170	H162-E166 PolarHBondContact O-N 3.4Å; E166-I168 PolarHBondContact O-N 3.21Å; E166-E169 PolarHBondContact O-N 3.33Å; E166-Q170 WeakPolarHBondContact O-CB 3.3Å; E166-Q170 VanDerWaalsContact O-CG 3.23Å; E166-Q170 WeakPolarHBondContact O-CG 3.31Å; E166-Q170 PolarHBondContact O-N 3.49Å
167	R	73.9	Confident	64.6	Low	162 Å²	162	100.1 Å²	100.1	61%	0.611	50%	0.497	S	S	*	.	H	α-helix	trans	-66.8	-36.9	179.3	-169.7	176.4	-177.9	-177.5	1.3	112.4	K163 I164 A165 R171	K163-R167 VanDerWaalsContact O-CB 3.26Å; K163-R167 WeakPolarHBondContact O-CB 3.23Å; K163-R167 PolarHBondContact O-N 3.34Å; I164-R167 PolarHBondContact O-N 3.48Å; A165-R167 VanDerWaalsContact C-N 3.32Å; A165-R167 PolarHBondContact O-N 3.33Å; R167-R171 WeakPolarHBondContact O-CB 3.26Å; R167-R171 WeakPolarHBondContact O-CG 3.39Å; R167-R171 PolarHBondContact O-N 2.85Å
168	I	69.5	Low	65.1	Low	77 Å²	77	100.4 Å²	100.4	40%	0.395	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-49.2	173.9	-70.9	168.3	0	0	0	109.2	I164 A165 E166 Q170 R171 I172	I164-I168 HydrophobicContact CG2-CD1 3.79Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.36Å; I164-I168 PolarHBondContact O-N 2.83Å; A165-I168 PolarHBondContact O-N 3.46Å; E166-I168 PolarHBondContact O-N 3.21Å; I168-Q170 PolarHBondContact O-N 2.93Å; I168-R171 PolarHBondContact O-N 3.33Å; I168-I172 HydrophobicContact CG2-CD1 3.63Å; I168-I172 VanDerWaalsContact O-CD1 3.29Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 VanDerWaalsContact O-CG1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.36Å; I168-I172 PolarHBondContact O-N 3.28Å
169	E	68.8	Low	65.7	Low	59 Å²	59	103.8 Å²	103.8	28%	0.276	49%	0.494	S	S	.	.	H	α-helix	trans	-54.9	-54.5	176.1	-173.7	177.2	177.7	0	0	110.5	K147 A165 E166 R171 I172 L173	K147-E169 WeakPolarHBondContact CE-OE1 3.49Å; K147-E169 IonicContact NZ-OE1 2.97Å; K147-E169 PolarHBondContact NZ-OE1 3.01Å; A165-E169 PolarHBondContact O-N 3.01Å; E166-E169 PolarHBondContact O-N 3.33Å; E169-R171 VanDerWaalsContact C-N 3.31Å; E169-R171 PolarHBondContact O-N 2.88Å; E169-I172 WeakPolarHBondContact O-CB 3.34Å; E169-I172 PolarHBondContact O-N 3.24Å; E169-L173 HydrophobicContact CG-CD1 4.09Å; E169-L173 HydrophobicContact CG-CG 4.21Å; E169-L173 VanDerWaalsContact O-CG 3.24Å; E169-L173 WeakPolarHBondContact O-CG 3.2Å; E169-L173 PolarHBondContact O-N 3.02Å
170	Q	71.9	Confident	66.2	Low	102 Å²	102	97.9 Å²	97.9	48%	0.477	48%	0.478	S	S	.	.	H	α-helix	trans	-56.9	-40.2	179.2	-71.5	-63.5	-37.5	0	0	113.1	E166 I168 I172 L173 N174	E166-Q170 WeakPolarHBondContact O-CB 3.3Å; E166-Q170 VanDerWaalsContact O-CG 3.23Å; E166-Q170 WeakPolarHBondContact O-CG 3.31Å; E166-Q170 PolarHBondContact O-N 3.49Å; I168-Q170 PolarHBondContact O-N 2.93Å; Q170-I172 PolarHBondContact O-N 3.03Å; Q170-L173 PolarHBondContact O-N 2.98Å; Q170-N174 WeakPolarHBondContact O-CB 3.29Å; Q170-N174 PolarHBondContact O-N 3.04Å; Q170-N174 PolarHBondContact O-ND2 3.37Å
171	R	70.8	Confident	66.5	Low	153 Å²	153	94.6 Å²	94.6	58%	0.577	46%	0.463	S	S	*	.	H	α-helix	trans	-63.2	-42.1	175.4	-81.1	178.7	170.6	-178.2	-4.1	112	R167 I168 E169 L173 N174 S175	R167-R171 WeakPolarHBondContact O-CB 3.26Å; R167-R171 WeakPolarHBondContact O-CG 3.39Å; R167-R171 PolarHBondContact O-N 2.85Å; I168-R171 PolarHBondContact O-N 3.33Å; E169-R171 VanDerWaalsContact C-N 3.31Å; E169-R171 PolarHBondContact O-N 2.88Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-N174 PolarHBondContact O-N 3.44Å; R171-S175 WeakPolarHBondContact O-CB 3.43Å; R171-S175 PolarHBondContact O-N 3.42Å; R171-S175 PolarHBondContact O-OG 3.04Å
172	I	67.3	Low	66.9	Low	38 Å²	38	98.7 Å²	98.7	20%	0.195	48%	0.479	C	S	.	.	H	α-helix	trans	-68.4	-37	177.6	-63.5	154.4	0	0	0	111.1	R143 M146 I168 E169 Q170 N174 N176	R143-I172 HydrophobicContact CG-CG2 3.92Å; M146-I172 HydrophobicContact CB-CD1 3.25Å; M146-I172 HydrophobicContact CG-CD1 3.38Å; M146-I172 HydrophobicContact CG-CG1 4.31Å; M146-I172 HydrophobicContact SD-CD1 3.99Å; I168-I172 HydrophobicContact CG2-CD1 3.63Å; I168-I172 VanDerWaalsContact O-CD1 3.29Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 VanDerWaalsContact O-CG1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.36Å; I168-I172 PolarHBondContact O-N 3.28Å; E169-I172 WeakPolarHBondContact O-CB 3.34Å; E169-I172 PolarHBondContact O-N 3.24Å; Q170-I172 PolarHBondContact O-N 3.03Å; I172-N174 VanDerWaalsContact C-N 3.32Å; I172-N176 PolarHBondContact O-ND2 3.11Å
173	L	63.8	Low	67.2	Low	40 Å²	40	98.4 Å²	98.4	21%	0.209	48%	0.479	C	S	.	.	H	α-helix	trans	-61.9	-40.7	174.2	-65.7	-177.9	0	0	0	111.7	E169 Q170 R171	E169-L173 HydrophobicContact CG-CD1 4.09Å; E169-L173 HydrophobicContact CG-CG 4.21Å; E169-L173 VanDerWaalsContact O-CG 3.24Å; E169-L173 WeakPolarHBondContact O-CG 3.2Å; E169-L173 PolarHBondContact O-N 3.02Å; Q170-L173 PolarHBondContact O-N 2.98Å; R171-L173 VanDerWaalsContact C-N 3.34Å
174	N	68.4	Low	67.2	Low	127 Å²	127	96.3 Å²	96.3	68%	0.679	47%	0.474	S	S	*	.	H	α-helix	trans	-84.6	-12	-176.4	-64.8	-17.9	0	0	0	113.9	Q170 R171 I172	Q170-N174 WeakPolarHBondContact O-CB 3.29Å; Q170-N174 PolarHBondContact O-N 3.04Å; Q170-N174 PolarHBondContact O-ND2 3.37Å; R171-N174 PolarHBondContact O-N 3.44Å; I172-N174 VanDerWaalsContact C-N 3.32Å
175	S	62.6	Low	67	Low	101 Å²	101	96.3 Å²	96.3	71%	0.706	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	6.4	177.1	-67.3	0	0	0	0	113.9	R171	R171-S175 WeakPolarHBondContact O-CB 3.43Å; R171-S175 PolarHBondContact O-N 3.42Å; R171-S175 PolarHBondContact O-OG 3.04Å
176	N	51.5	Low	67.1	Low	148 Å²	148	103.5 Å²	103.5	79%	0.791	50%	0.503	S	S	*	.			trans	-121.3	0	174.2	-67.3	-75.9	0	0	0	111.4	T139 I172	T139-N176 HydrophobicContact CG2-CB 4.22Å; T139-N176 WeakPolarHBondContact CG2-OD1 3.47Å; I172-N176 PolarHBondContact O-ND2 3.11Å

Retrieved 176 of 176 residues in 131.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).