A0A3Q0KST8_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KST8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)

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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	40.2	Very low	40.7	Very low	240 Å²	240	157.5 Å²	157.5	100%	1.182	82%	0.821	S	S	*	*				0	130.2	0	-77.1	-71.4	171	0	0	107
2	S	37.9	Very low	40.6	Very low	104 Å²	104	155.7 Å²	155.7	73%	0.727	81%	0.812	S	S	*	*			trans	-68.3	141.3	-139.2	-50.9	0	0	0	0	117.2
3	T	44.5	Very low	40.1	Very low	129 Å²	129	156.5 Å²	156.5	79%	0.791	81%	0.809	S	S	*	*			trans	-117.7	104.1	155.5	27.9	0	0	0	0	106.6	F5	T3-F5 PolarHBondContact O-N 3.35Å
4	D	40.1	Very low	39.7	Very low	157 Å²	157	154.9 Å²	154.9	84%	0.84	82%	0.816	S	S	*	*			trans	-75.7	117	173.8	-70.1	-34.4	0	0	0	108.7	S6	D4-S6 PolarHBondContact O-N 3.19Å
5	F	43.8	Very low	39.2	Very low	201 Å²	201	156.6 Å²	156.6	88%	0.882	82%	0.818	S	S	*	*			trans	-83.1	107.7	170.8	-103.7	-93.5	0	0	0	108.9	T3	T3-F5 PolarHBondContact O-N 3.35Å
6	S	41.7	Very low	39.2	Very low	97 Å²	97	153.1 Å²	153.1	68%	0.678	81%	0.811	S	S	*	*			trans	-60.9	131.2	156.9	173.8	0	0	0	0	109.3	D4	D4-S6 PolarHBondContact O-N 3.19Å
7	S	46.5	Very low	38.8	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	81%	0.808	S	S	*	*			trans	-124.6	80	162.7	69.9	0	0	0	0	109.3	Y9	S7-Y9 PolarHBondContact O-N 2.85Å
8	E	36.8	Very low	38.7	Very low	172 Å²	172	149 Å²	149	80%	0.804	80%	0.799	S	S	*	*			trans	-65.5	113.7	144.3	-78.8	173.4	145.9	0	0	107.2
9	Y	40.4	Very low	38.5	Very low	209 Å²	209	146.9 Å²	146.9	82%	0.82	80%	0.797	S	S	*	*			trans	-138.2	91.4	161.1	-109.3	-85.2	0	0	0	107.6	S7	S7-Y9 PolarHBondContact O-N 2.85Å
10	D	37	Very low	38.6	Very low	123 Å²	123	145.2 Å²	145.2	66%	0.658	79%	0.792	S	S	*	*			trans	52.1	99.2	134.8	-63.8	-20.1	0	0	0	118.7	L12	D10-L12 PolarHBondContact O-N 3.42Å
11	Q	38.6	Very low	38.4	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	80%	0.798	S	S	*	*			trans	-46.6	108.5	133.3	-74.5	167.8	-13.4	0	0	110.7
12	L	40	Very low	38.4	Very low	136 Å²	136	138.4 Å²	138.4	71%	0.712	77%	0.769	S	S	*	*			trans	-137.6	96.9	153.7	-76.2	171.5	0	0	0	105.8	D10	D10-L12 PolarHBondContact O-N 3.42Å
13	E	33.5	Very low	38.2	Very low	166 Å²	166	139 Å²	139	78%	0.776	77%	0.773	S	S	*	*				50.2	93.3	93.6	-80.7	-172.6	164.2	0	0	112.6
14	C	35.5	Very low	37.9	Very low	134 Å²	134	139.8 Å²	139.8	91%	0.905	77%	0.771	S	S	*	*			trans	-129.9	55.3	147.9	-80.1	0	0	0	0	107.8	S16	C14-S16 PolarHBondContact O-N 3.12Å
15	E	32.2	Very low	37.6	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	77%	0.773	S	S	*	*			trans	-75.3	97.7	153.1	-77.6	-172.7	164.8	0	0	106.8
16	S	39	Very low	37.5	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	76%	0.764	S	S	*	*			trans	-111.7	79.6	169.2	177	0	0	0	0	108.4	C14 V18	C14-S16 PolarHBondContact O-N 3.12Å; S16-V18 PolarHBondContact O-N 3.41Å
17	V	31.7	Very low	37.6	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	77%	0.768	S	S	*	*			trans	-71.5	102.5	162.9	-179.1	0	0	0	0	106.9
18	V	38	Very low	37.2	Very low	106 Å²	106	143.5 Å²	143.5	64%	0.642	77%	0.772	S	S	*	*			trans	-116.4	93	166.9	179.6	0	0	0	0	107.8	S16 T20	S16-V18 PolarHBondContact O-N 3.41Å; V18-T20 WeakPolarHBondContact CG1-OG1 3.4Å; V18-T20 PolarHBondContact O-N 2.83Å
19	S	35.3	Very low	37.2	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	77%	0.771	S	S	*	*			trans	-68.1	115.3	158.9	-58.5	0	0	0	0	107.9
20	T	38.7	Very low	36.9	Very low	111 Å²	111	139.6 Å²	139.6	68%	0.681	78%	0.775	S	S	*	*			trans	-121.2	92.8	166.3	-48.7	0	0	0	0	108.6	V18 A22	V18-T20 WeakPolarHBondContact CG1-OG1 3.4Å; V18-T20 PolarHBondContact O-N 2.83Å; T20-A22 HydrophobicContact CG2-CB 4.19Å; T20-A22 PolarHBondContact O-N 3.09Å
21	D	34.2	Very low	36.9	Very low	174 Å²	174	138.8 Å²	138.8	93%	0.93	77%	0.774	S	S	*	*			trans	-64.9	114.2	152.8	-112.4	-26.1	0	0	0	107.1
22	A	41.4	Very low	36.9	Very low	70 Å²	70	137.3 Å²	137.3	58%	0.579	77%	0.767	S	S	*	*			trans	-139.4	94.9	167.2	0	0	0	0	0	108.5	T20 I24	T20-A22 HydrophobicContact CG2-CB 4.19Å; T20-A22 PolarHBondContact O-N 3.09Å; A22-I24 PolarHBondContact O-N 3.48Å; A22-I24 VanDerWaalsContact O-N 3.12Å
23	S	33.9	Very low	36.9	Very low	116 Å²	116	141.7 Å²	141.7	81%	0.811	77%	0.774	S	S	*	*			trans	-60.1	108.8	166.9	67.5	0	0	0	0	108.9
24	I	38.3	Very low	37.2	Very low	145 Å²	145	141.3 Å²	141.3	74%	0.744	77%	0.772	S	S	*	*			trans	-91	104.6	164.6	-60.6	177.8	0	0	0	106.1	A22 T26	A22-I24 PolarHBondContact O-N 3.48Å; A22-I24 VanDerWaalsContact O-N 3.12Å; I24-T26 PolarHBondContact O-N 2.81Å
25	R	32.4	Very low	37.5	Very low	231 Å²	231	139.3 Å²	139.3	87%	0.872	77%	0.765	S	S	*	*			trans	-64.7	109.5	167.1	-74.8	172	86.1	177.6	7.2	107.5
26	T	43.6	Very low	38	Very low	115 Å²	115	134.8 Å²	134.8	71%	0.706	75%	0.754	S	S	*	*			trans	-124	118.8	159.6	-24.9	0	0	0	0	106.1	I24 N28	I24-T26 PolarHBondContact O-N 2.81Å; T26-N28 PolarHBondContact O-N 3.05Å
27	D	42.2	Very low	38.4	Very low	142 Å²	142	138 Å²	138	76%	0.759	76%	0.763	S	S	*	*	S	Bend	trans	-52.5	130.9	-179.8	-67.3	-42.8	0	0	0	110.8
28	N	37.9	Very low	39	Very low	153 Å²	153	139 Å²	139	82%	0.818	76%	0.764	S	S	*	*	S	Bend	trans	79.8	56.4	166.4	-49.1	-35.5	0	0	0	118.8	T26	T26-N28 PolarHBondContact O-N 3.05Å
29	L	38	Very low	39.5	Very low	152 Å²	152	139.5 Å²	139.5	80%	0.796	77%	0.767	S	S	*	*			trans	173.1	91.1	134.2	-102.1	143.4	0	0	0	107.6	V31	L29-V31 PolarHBondContact O-N 3.28Å
30	T	33.7	Very low	39.9	Very low	147 Å²	147	138.3 Å²	138.3	90%	0.902	75%	0.752	S	S	*	*			trans	-65.5	87.4	166.5	32.9	0	0	0	0	108.9	E32	T30-E32 PolarHBondContact O-N 2.85Å
31	V	37.5	Very low	40.1	Very low	106 Å²	106	137.3 Å²	137.3	64%	0.642	75%	0.749	S	S	*	*			trans	-86.1	93	159.7	-179.5	0	0	0	0	105.8	L29 R33	L29-V31 PolarHBondContact O-N 3.28Å; V31-R33 HydrophobicContact CG1-CG 4.44Å; V31-R33 PolarHBondContact O-N 3.19Å
32	E	38	Very low	40.5	Very low	161 Å²	161	135.7 Å²	135.7	75%	0.752	73%	0.731	S	S	*	*			trans	-57.4	92.1	161.9	-86.5	-175.1	146.8	0	0	108.1	T30 H34	T30-E32 PolarHBondContact O-N 2.85Å; E32-H34 PolarHBondContact O-N 3.25Å; E32-H34 VanDerWaalsContact O-N 3.09Å
33	R	40.8	Very low	40.8	Very low	228 Å²	228	139 Å²	139	86%	0.86	74%	0.739	S	S	*	*			trans	-78.1	87.3	160	-99.9	-174	-177.5	165.9	2.1	106.9	V31 A35	V31-R33 HydrophobicContact CG1-CG 4.44Å; V31-R33 PolarHBondContact O-N 3.19Å; R33-A35 PolarHBondContact O-N 2.64Å
34	H	38.8	Very low	41.6	Very low	158 Å²	158	142 Å²	142	73%	0.731	74%	0.737	S	S	*	*			trans	-58.2	84.2	152.7	-86.6	-73.8	0	0	0	108.4	E32 S36	E32-H34 PolarHBondContact O-N 3.25Å; E32-H34 VanDerWaalsContact O-N 3.09Å; H34-S36 PolarHBondContact O-N 3.03Å
35	A	41.9	Very low	42	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	73%	0.728	S	S	*	*			trans	-78	81.6	162.5	0	0	0	0	0	106.3	R33	R33-A35 PolarHBondContact O-N 2.64Å
36	S	43.5	Very low	42.9	Very low	87 Å²	87	138.8 Å²	138.8	61%	0.608	73%	0.728	S	S	*	*			trans	-51.1	142	166.6	43	0	0	0	0	109.3	H34 L38	H34-S36 PolarHBondContact O-N 3.03Å; S36-L38 PolarHBondContact O-N 2.88Å
37	N	45.8	Very low	43.3	Very low	167 Å²	167	140.6 Å²	140.6	89%	0.893	73%	0.728	S	S	*	*			trans	-53	67.1	177	-74	-43.1	0	0	0	113.2	T39	N37-T39 VanDerWaalsContact C-N 3.28Å; N37-T39 PolarHBondContact O-N 3.41Å
38	L	45.9	Very low	43.8	Very low	149 Å²	149	135.9 Å²	135.9	78%	0.78	71%	0.705	S	S	*	*			trans	-75.5	92.9	162	-103.4	87.2	0	0	0	106.1	S36 N40	S36-L38 PolarHBondContact O-N 2.88Å; L38-N40 PolarHBondContact O-N 3.46Å
39	T	47.1	Very low	44.7	Very low	116 Å²	116	131 Å²	131	71%	0.712	69%	0.691	S	S	*	*			trans	-43.8	106.6	161.6	-38.4	0	0	0	0	107.3	N37 S41	N37-T39 VanDerWaalsContact C-N 3.28Å; N37-T39 PolarHBondContact O-N 3.41Å; T39-S41 PolarHBondContact O-N 3.35Å
40	N	43.5	Very low	45.8	Very low	85 Å²	85	128.9 Å²	128.9	46%	0.455	68%	0.68	S	S	.	*			trans	-67.4	114.5	-171.7	-161.9	-2.1	0	0	0	107.5	L38 Y42 D43	L38-N40 PolarHBondContact O-N 3.46Å; N40-Y42 PolarHBondContact O-N 3.13Å; N40-Y42 VanDerWaalsContact OD1-CD2 3.24Å; N40-Y42 WeakPolarHBondContact OD1-CD2 3.34Å; N40-D43 PolarHBondContact O-N 2.64Å
41	S	43.9	Very low	47.2	Very low	89 Å²	89	123.5 Å²	123.5	62%	0.622	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-51.7	-26.6	177.4	178.4	0	0	0	0	111.9	T39 D43 K44	T39-S41 PolarHBondContact O-N 3.35Å; S41-D43 VanDerWaalsContact C-N 3.34Å; S41-D43 PolarHBondContact O-N 2.88Å; S41-K44 PolarHBondContact O-N 3.43Å
42	Y	43.2	Very low	48.3	Very low	141 Å²	141	124 Å²	124	55%	0.553	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-61.4	-31.2	176.1	-77.4	-87.6	0	0	0	114.5	N40 K44 M45	N40-Y42 PolarHBondContact O-N 3.13Å; N40-Y42 VanDerWaalsContact OD1-CD2 3.24Å; N40-Y42 WeakPolarHBondContact OD1-CD2 3.34Å; Y42-K44 PolarHBondContact O-N 2.71Å; Y42-M45 HydrophobicContact CD1-SD 4.43Å; Y42-M45 PolarHBondContact O-N 3.5Å
43	D	47.1	Very low	49.4	Very low	140 Å²	140	117 Å²	117	75%	0.749	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-71	-18.6	-179.2	-72.4	-24.9	0	0	0	112.9	N40 S41	N40-D43 PolarHBondContact O-N 2.64Å; S41-D43 VanDerWaalsContact C-N 3.34Å; S41-D43 PolarHBondContact O-N 2.88Å
44	K	49.8	Very low	50.6	Low	177 Å²	177	106.8 Å²	106.8	77%	0.77	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-96.1	-6.6	177.6	-66.7	-173.9	-179.7	-179.6	0	113.4	S41 Y42 K46	S41-K44 PolarHBondContact O-N 3.43Å; Y42-K44 PolarHBondContact O-N 2.71Å; K44-K46 PolarHBondContact O-N 2.78Å
45	M	47.4	Very low	51.8	Low	113 Å²	113	102.5 Å²	102.5	56%	0.557	57%	0.568	S	S	*	*	S	Bend	trans	-77.5	121.1	178.3	-77.9	-177.7	130.5	0	0	109.9	Y42 H47	Y42-M45 HydrophobicContact CD1-SD 4.43Å; Y42-M45 PolarHBondContact O-N 3.5Å; M45-H47 PolarHBondContact O-N 3.47Å
46	K	52	Low	52.8	Low	197 Å²	197	99.9 Å²	99.9	86%	0.857	55%	0.547	S	S	*	.			trans	-61.1	101	166.4	-68.5	-172.3	178.3	-176.5	0	107.6	K44 P48	K44-K46 PolarHBondContact O-N 2.78Å; K46-P48 VanDerWaalsContact O-CD 3.27Å; K46-P48 WeakPolarHBondContact O-CD 3.25Å; K46-P48 VanDerWaalsContact O-N 3.11Å
47	H	51.1	Low	54	Low	152 Å²	152	98.7 Å²	98.7	70%	0.704	53%	0.529	S	S	*	.			trans	-55.8	119.5	168.1	-60.6	-57.7	0	0	0	107	M45 G49	M45-H47 PolarHBondContact O-N 3.47Å; H47-G49 VanDerWaalsContact C-N 3.31Å; H47-G49 PolarHBondContact O-N 3.32Å
48	P	52.7	Low	55.2	Low	43 Å²	43	98.1 Å²	98.1	28%	0.279	52%	0.515	S	S	.	.			trans	-61.9	110	163.3	24.2	-25.7	0	0	0	104.4	K46 T88	K46-P48 VanDerWaalsContact O-CD 3.27Å; K46-P48 WeakPolarHBondContact O-CD 3.25Å; K46-P48 VanDerWaalsContact O-N 3.11Å; P48-T88 VanDerWaalsContact CD-CG2 3.45Å; P48-T88 HydrophobicContact CG-CG2 3.28Å; P48-T88 VanDerWaalsContact CG-OG1 3.32Å; P48-T88 WeakPolarHBondContact CG-OG1 3.39Å
49	G	56.1	Low	56.3	Low	51 Å²	51	98.7 Å²	98.7	53%	0.526	51%	0.507	S	S	.	.			trans	-52.3	162.1	174.6	0	0	0	0	0	109.2	H47 T51	H47-G49 VanDerWaalsContact C-N 3.31Å; H47-G49 PolarHBondContact O-N 3.32Å; G49-T51 WeakPolarHBondContact O-CG2 3.36Å; G49-T51 PolarHBondContact O-N 2.87Å
50	L	62.4	Low	57.1	Low	108 Å²	108	93.8 Å²	93.8	57%	0.565	48%	0.476	S	S	*	.			trans	-50	90.4	166.8	-94.6	146.3	0	0	0	109.1	I54 T55	L50-I54 HydrophobicContact CD2-CB 4.42Å; L50-I54 HydrophobicContact CD2-CG2 3.85Å; L50-T55 WeakPolarHBondContact CD2-OG1 3.3Å
51	T	63.6	Low	58.2	Low	34 Å²	34	93.2 Å²	93.2	21%	0.209	48%	0.476	C	S	.	.			trans	-63.4	151.4	178.7	67.8	0	0	0	0	106.7	G49 S53 I54 T55	G49-T51 WeakPolarHBondContact O-CG2 3.36Å; G49-T51 PolarHBondContact O-N 2.87Å; T51-S53 PolarHBondContact O-N 3.14Å; T51-S53 PolarHBondContact OG1-OG 3.09Å; T51-I54 HydrophobicContact CG2-CD1 4.07Å; T51-I54 PolarHBondContact O-N 3.34Å; T51-I54 WeakPolarHBondContact OG1-CD1 3.24Å; T51-I54 WeakPolarHBondContact OG1-CG1 3.5Å; T51-I54 PolarHBondContact OG1-N 2.96Å; T51-T55 PolarHBondContact O-N 3.21Å; T51-T55 PolarHBondContact O-OG1 3.17Å; T51-T55 VanDerWaalsContact O-OG1 3.04Å
52	P	59.9	Low	59.4	Low	117 Å²	117	92.7 Å²	92.7	76%	0.76	47%	0.472	S	S	*	.	H	α-helix	trans	-50.9	-33.4	175.9	-29.8	36.5	0	0	0	112.6	A56	P52-A56 WeakPolarHBondContact O-CB 3.2Å; P52-A56 PolarHBondContact O-N 2.9Å
53	S	60.7	Low	60.3	Low	14 Å²	14	88.7 Å²	88.7	10%	0.098	46%	0.458	C	S	.	.	H	α-helix	trans	-71.1	-40.8	176.5	48.5	0	0	0	0	114.2	T51 T55 A56 Y57 Q81	T51-S53 PolarHBondContact O-N 3.14Å; T51-S53 PolarHBondContact OG1-OG 3.09Å; S53-T55 VanDerWaalsContact C-N 3.32Å; S53-T55 PolarHBondContact O-N 2.82Å; S53-A56 PolarHBondContact O-N 3.29Å; S53-Y57 WeakPolarHBondContact O-CB 3.45Å; S53-Y57 PolarHBondContact O-N 3.09Å; S53-Q81 PolarHBondContact OG-OE1 3.04Å
54	I	65.2	Low	60.8	Low	13 Å²	13	86.5 Å²	86.5	7%	0.067	45%	0.452	C	S	.	.	H	α-helix	trans	-60.9	-47.2	171.7	-62.3	165.8	0	0	0	110.5	L50 T51 A56 Y57 R58 W82 W91	L50-I54 HydrophobicContact CD2-CB 4.42Å; L50-I54 HydrophobicContact CD2-CG2 3.85Å; T51-I54 HydrophobicContact CG2-CD1 4.07Å; T51-I54 PolarHBondContact O-N 3.34Å; T51-I54 WeakPolarHBondContact OG1-CD1 3.24Å; T51-I54 WeakPolarHBondContact OG1-CG1 3.5Å; T51-I54 PolarHBondContact OG1-N 2.96Å; I54-A56 VanDerWaalsContact C-N 3.29Å; I54-A56 PolarHBondContact O-N 3.34Å; I54-Y57 PolarHBondContact O-N 3.13Å; I54-R58 HydrophobicContact CG2-CG 4.25Å; I54-R58 WeakPolarHBondContact O-CB 3.42Å; I54-R58 VanDerWaalsContact O-CG 3.32Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.15Å; I54-W82 HydrophobicContact CB-CZ2 4.45Å; I54-W82 HydrophobicContact CD1-CH2 3.57Å; I54-W82 HydrophobicContact CD1-CZ2 2.94Å; I54-W82 HydrophobicContact CG1-CH2 4.12Å; I54-W82 HydrophobicContact CG1-CZ2 3.02Å; I54-W82 VanDerWaalsContact CG1-NE1 3.29Å; I54-W91 HydrophobicContact CG1-CH2 4.44Å; I54-W91 HydrophobicContact CG2-CZ3 4.3Å
55	T	65.3	Low	61.5	Low	67 Å²	67	83.7 Å²	83.7	41%	0.411	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-43.1	-177.9	-53.6	0	0	0	0	109.6	L50 T51 S53 W59	L50-T55 WeakPolarHBondContact CD2-OG1 3.3Å; T51-T55 PolarHBondContact O-N 3.21Å; T51-T55 PolarHBondContact O-OG1 3.17Å; T51-T55 VanDerWaalsContact O-OG1 3.04Å; S53-T55 VanDerWaalsContact C-N 3.32Å; S53-T55 PolarHBondContact O-N 2.82Å; T55-W59 VanDerWaalsContact O-CB 3.25Å; T55-W59 WeakPolarHBondContact O-CB 3.33Å; T55-W59 PolarHBondContact O-N 2.96Å
56	A	63.3	Low	62.1	Low	38 Å²	38	80 Å²	80	31%	0.314	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-49.3	173.9	0	0	0	0	0	111.7	P52 S53 I54 R58 W59 I60	P52-A56 WeakPolarHBondContact O-CB 3.2Å; P52-A56 PolarHBondContact O-N 2.9Å; S53-A56 PolarHBondContact O-N 3.29Å; I54-A56 VanDerWaalsContact C-N 3.29Å; I54-A56 PolarHBondContact O-N 3.34Å; A56-R58 PolarHBondContact O-N 2.73Å; A56-W59 PolarHBondContact O-N 2.97Å; A56-I60 HydrophobicContact CB-CD1 4.33Å; A56-I60 VanDerWaalsContact O-CB 3.3Å; A56-I60 WeakPolarHBondContact O-CB 3.3Å; A56-I60 VanDerWaalsContact O-CD1 3.29Å; A56-I60 WeakPolarHBondContact O-CD1 3.21Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 3.07Å
57	Y	67	Low	62.9	Low	61 Å²	61	74.6 Å²	74.6	24%	0.239	42%	0.42	C	S	.	.	H	α-helix	trans	-60.7	-44.6	179.5	-177.7	-95.9	0	0	0	112.3	S53 I54 I60 T61 I74 E75 T78	S53-Y57 WeakPolarHBondContact O-CB 3.45Å; S53-Y57 PolarHBondContact O-N 3.09Å; I54-Y57 PolarHBondContact O-N 3.13Å; Y57-I60 PolarHBondContact O-N 2.81Å; Y57-T61 HydrophobicContact CD1-CG2 4.18Å; Y57-T61 HydrophobicContact CD2-CG2 4.47Å; Y57-T61 HydrophobicContact CE1-CG2 3.77Å; Y57-T61 HydrophobicContact CE2-CG2 4.09Å; Y57-T61 WeakPolarHBondContact O-CB 3.27Å; Y57-T61 WeakPolarHBondContact O-CG2 3.36Å; Y57-T61 PolarHBondContact O-N 3.15Å; Y57-T61 PolarHBondContact O-OG1 2.95Å; Y57-I74 HydrophobicContact CD2-CG2 4.3Å; Y57-E75 HydrophobicContact CE2-CB 4.48Å; Y57-T78 HydrophobicContact CD2-CG2 4.3Å; Y57-T78 HydrophobicContact CG-CG2 4.23Å
58	R	71.3	Confident	63.7	Low	156 Å²	156	76.2 Å²	76.2	59%	0.589	43%	0.425	S	S	*	.	H	α-helix	trans	-61.9	-43.8	174.1	-71.6	-178	74.3	-166.5	4.3	111.7	I54 A56 I60 T61 S62	I54-R58 HydrophobicContact CG2-CG 4.25Å; I54-R58 WeakPolarHBondContact O-CB 3.42Å; I54-R58 VanDerWaalsContact O-CG 3.32Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.15Å; A56-R58 PolarHBondContact O-N 2.73Å; R58-I60 VanDerWaalsContact C-N 3.35Å; R58-T61 WeakPolarHBondContact CA-OG1 3.27Å; R58-T61 PolarHBondContact O-OG1 2.87Å; R58-T61 VanDerWaalsContact O-OG1 3.1Å; R58-S62 WeakPolarHBondContact O-CB 3.46Å; R58-S62 PolarHBondContact O-N 2.99Å; R58-S62 PolarHBondContact O-OG 3.09Å
59	W	69	Low	64.6	Low	160 Å²	160	76.8 Å²	76.8	61%	0.606	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-44.3	177.2	-175.2	76.4	0	0	0	111.1	T55 A56 S62 Q63	T55-W59 VanDerWaalsContact O-CB 3.25Å; T55-W59 WeakPolarHBondContact O-CB 3.33Å; T55-W59 PolarHBondContact O-N 2.96Å; A56-W59 PolarHBondContact O-N 2.97Å; W59-S62 PolarHBondContact O-N 2.87Å; W59-S62 PolarHBondContact O-OG 3.28Å; W59-Q63 HydrophobicContact CD2-CG 4.4Å; W59-Q63 HydrophobicContact CE3-CG 4.45Å; W59-Q63 HydrophobicContact CH2-CG 4.23Å; W59-Q63 HydrophobicContact CZ2-CG 4.21Å; W59-Q63 HydrophobicContact CZ3-CG 4.36Å; W59-Q63 WeakPolarHBondContact O-CG 3.44Å; W59-Q63 PolarHBondContact O-N 3.4Å; W59-Q63 PolarHBondContact O-NE2 3.48Å
60	I	65.1	Low	65.1	Low	14 Å²	14	77.6 Å²	77.6	7%	0.072	43%	0.433	C	S	.	.	H	α-helix	trans	-69.4	-43.6	-177.1	-71.1	160.7	0	0	0	111.5	A56 Y57 R58 S62 Q63 F71 I74	A56-I60 HydrophobicContact CB-CD1 4.33Å; A56-I60 VanDerWaalsContact O-CB 3.3Å; A56-I60 WeakPolarHBondContact O-CB 3.3Å; A56-I60 VanDerWaalsContact O-CD1 3.29Å; A56-I60 WeakPolarHBondContact O-CD1 3.21Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 3.07Å; Y57-I60 PolarHBondContact O-N 2.81Å; R58-I60 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.42Å; I60-Q63 WeakPolarHBondContact O-CB 3.36Å; I60-Q63 PolarHBondContact O-N 2.81Å; I60-F71 HydrophobicContact CB-CE1 4.44Å; I60-F71 HydrophobicContact CG2-CD1 3.45Å; I60-F71 VanDerWaalsContact CG2-CD1 3.45Å; I60-F71 HydrophobicContact CG2-CE1 3.29Å; I60-F71 HydrophobicContact CG2-CG 4.33Å; I60-F71 HydrophobicContact CG2-CZ 4.08Å; I60-F71 VanDerWaalsContact O-CE1 3.24Å; I60-F71 WeakPolarHBondContact O-CE1 3.43Å; I60-F71 VanDerWaalsContact O-CZ 3.29Å; I60-F71 WeakPolarHBondContact O-CZ 3.38Å; I60-I74 HydrophobicContact CD1-CB 4.01Å; I60-I74 HydrophobicContact CD1-CD1 3.38Å; I60-I74 HydrophobicContact CD1-CG1 3.51Å; I60-I74 HydrophobicContact CD1-CG2 3.52Å; I60-I74 HydrophobicContact CG1-CD1 4.34Å; I60-I74 HydrophobicContact CG2-CD1 4.38Å; I60-I74 HydrophobicContact CG2-CG2 4.47Å
61	T	66.5	Low	65.3	Low	72 Å²	72	75.1 Å²	75.1	44%	0.442	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-25.6	173.8	50.6	0	0	0	0	113	Y57 R58 Q63 F71	Y57-T61 HydrophobicContact CD1-CG2 4.18Å; Y57-T61 HydrophobicContact CD2-CG2 4.47Å; Y57-T61 HydrophobicContact CE1-CG2 3.77Å; Y57-T61 HydrophobicContact CE2-CG2 4.09Å; Y57-T61 WeakPolarHBondContact O-CB 3.27Å; Y57-T61 WeakPolarHBondContact O-CG2 3.36Å; Y57-T61 PolarHBondContact O-N 3.15Å; Y57-T61 PolarHBondContact O-OG1 2.95Å; R58-T61 WeakPolarHBondContact CA-OG1 3.27Å; R58-T61 PolarHBondContact O-OG1 2.87Å; R58-T61 VanDerWaalsContact O-OG1 3.1Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-F71 HydrophobicContact CG2-CE1 4.46Å
62	S	68.9	Low	65.6	Low	78 Å²	78	76.8 Å²	76.8	55%	0.545	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.6	170.8	77.5	0	0	0	0	114	R58 W59 I60 P64	R58-S62 WeakPolarHBondContact O-CB 3.46Å; R58-S62 PolarHBondContact O-N 2.99Å; R58-S62 PolarHBondContact O-OG 3.09Å; W59-S62 PolarHBondContact O-N 2.87Å; W59-S62 PolarHBondContact O-OG 3.28Å; I60-S62 PolarHBondContact O-N 3.42Å; S62-P64 WeakPolarHBondContact O-CD 3.49Å
63	Q	61.2	Low	66.2	Low	58 Å²	58	77.9 Å²	77.9	27%	0.271	42%	0.424	S	S	.	.			trans	-85.6	122.1	177.3	-60.8	-46.9	-54.9	0	0	111.1	W59 I60 T61 T65	W59-Q63 HydrophobicContact CD2-CG 4.4Å; W59-Q63 HydrophobicContact CE3-CG 4.45Å; W59-Q63 HydrophobicContact CH2-CG 4.23Å; W59-Q63 HydrophobicContact CZ2-CG 4.21Å; W59-Q63 HydrophobicContact CZ3-CG 4.36Å; W59-Q63 WeakPolarHBondContact O-CG 3.44Å; W59-Q63 PolarHBondContact O-N 3.4Å; W59-Q63 PolarHBondContact O-NE2 3.48Å; I60-Q63 WeakPolarHBondContact O-CB 3.36Å; I60-Q63 PolarHBondContact O-N 2.81Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; Q63-T65 PolarHBondContact O-N 3.26Å; Q63-T65 VanDerWaalsContact O-N 3.15Å
64	P	58.5	Low	66.5	Low	94 Å²	94	78.9 Å²	78.9	61%	0.61	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	1.8	-178	29.6	-34.7	0	0	0	114.8	S62	S62-P64 WeakPolarHBondContact O-CD 3.49Å
65	T	64.2	Low	66.6	Low	118 Å²	118	82.5 Å²	82.5	72%	0.724	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	1.2	-161.1	30.4	0	0	0	0	115.6	Q63	Q63-T65 PolarHBondContact O-N 3.26Å; Q63-T65 VanDerWaalsContact O-N 3.15Å
66	S	60.4	Low	66.8	Low	34 Å²	34	82.3 Å²	82.3	24%	0.238	45%	0.446	C	S	.	.			trans	-74.4	139.4	-176.6	-42.2	0	0	0	0	111.6	F71	S66-F71 WeakPolarHBondContact O-CD2 3.42Å; S66-F71 VanDerWaalsContact O-CE2 3.24Å; S66-F71 WeakPolarHBondContact O-CE2 3.37Å
67	P	68.6	Low	67	Low	85 Å²	85	84.2 Å²	84.2	55%	0.552	45%	0.451	S	S	*	.			trans	-61.5	143.5	175.8	-17.7	28.2	0	0	0	111.1	G69 V70 F71	P67-G69 PolarHBondContact O-N 2.9Å; P67-G69 VanDerWaalsContact O-N 3.12Å; P67-V70 HydrophobicContact CB-CG2 4.17Å; P67-V70 HydrophobicContact CG-CG2 4.02Å; P67-V70 WeakPolarHBondContact O-CB 3.32Å; P67-V70 PolarHBondContact O-N 3.29Å; P67-F71 PolarHBondContact O-N 3.25Å
68	K	67	Low	66.9	Low	185 Å²	185	81.9 Å²	81.9	80%	0.804	44%	0.443	S	S	*	.	H	α-helix	trans	-51	-39.5	179.9	-73.2	-174.6	176.9	-177.5	0	113.4	V70 F71 S72	K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 3.32Å; K68-F71 WeakPolarHBondContact O-CB 3.41Å; K68-F71 PolarHBondContact O-N 2.82Å; K68-S72 PolarHBondContact O-N 3.08Å; K68-S72 PolarHBondContact O-OG 3.35Å
69	G	72	Confident	66.5	Low	56 Å²	56	78.5 Å²	78.5	58%	0.577	44%	0.436	S	S	*	.	H	α-helix	trans	-65.3	-33.1	179.3	0	0	0	0	0	113.9	P67 K73	P67-G69 PolarHBondContact O-N 2.9Å; P67-G69 VanDerWaalsContact O-N 3.12Å; G69-K73 PolarHBondContact O-N 3.29Å; G69-K73 VanDerWaalsContact O-N 3.17Å
70	V	67.7	Low	66.4	Low	67 Å²	67	73.7 Å²	73.7	41%	0.406	43%	0.43	S	S	.	.	H	α-helix	trans	-69.8	-43.5	175.9	177.7	0	0	0	0	109.6	P67 K68 K73 I74	P67-V70 HydrophobicContact CB-CG2 4.17Å; P67-V70 HydrophobicContact CG-CG2 4.02Å; P67-V70 WeakPolarHBondContact O-CB 3.32Å; P67-V70 PolarHBondContact O-N 3.29Å; K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 3.32Å; V70-K73 PolarHBondContact O-N 3.26Å; V70-I74 HydrophobicContact CG1-CD1 3.42Å; V70-I74 VanDerWaalsContact CG1-CD1 3.42Å; V70-I74 WeakPolarHBondContact O-CD1 3.44Å; V70-I74 PolarHBondContact O-N 3.39Å
71	F	66.9	Low	66.2	Low	57 Å²	57	78 Å²	78	25%	0.25	45%	0.45	C	S	.	.	H	α-helix	trans	-57.3	-50.4	173.3	-84.5	-72.9	0	0	0	112.5	I60 T61 S66 P67 K68 K73 I74 E75	I60-F71 HydrophobicContact CB-CE1 4.44Å; I60-F71 HydrophobicContact CG2-CD1 3.45Å; I60-F71 VanDerWaalsContact CG2-CD1 3.45Å; I60-F71 HydrophobicContact CG2-CE1 3.29Å; I60-F71 HydrophobicContact CG2-CG 4.33Å; I60-F71 HydrophobicContact CG2-CZ 4.08Å; I60-F71 VanDerWaalsContact O-CE1 3.24Å; I60-F71 WeakPolarHBondContact O-CE1 3.43Å; I60-F71 VanDerWaalsContact O-CZ 3.29Å; I60-F71 WeakPolarHBondContact O-CZ 3.38Å; T61-F71 HydrophobicContact CG2-CE1 4.46Å; S66-F71 WeakPolarHBondContact O-CD2 3.42Å; S66-F71 VanDerWaalsContact O-CE2 3.24Å; S66-F71 WeakPolarHBondContact O-CE2 3.37Å; P67-F71 PolarHBondContact O-N 3.25Å; K68-F71 WeakPolarHBondContact O-CB 3.41Å; K68-F71 PolarHBondContact O-N 2.82Å; F71-K73 VanDerWaalsContact C-N 3.3Å; F71-K73 PolarHBondContact O-N 3.03Å; F71-I74 PolarHBondContact O-N 3.5Å; F71-E75 VanDerWaalsContact O-CB 3.27Å; F71-E75 WeakPolarHBondContact O-CB 3.39Å; F71-E75 PolarHBondContact O-N 3.01Å
72	S	68.7	Low	65.8	Low	69 Å²	69	76 Å²	76	48%	0.483	44%	0.435	S	S	.	.	H	α-helix	trans	-62	-37.2	-178.2	-61.4	0	0	0	0	112.7	K68 S76	K68-S72 PolarHBondContact O-N 3.08Å; K68-S72 PolarHBondContact O-OG 3.35Å; S72-S76 PolarHBondContact O-N 3.39Å; S72-S76 PolarHBondContact O-OG 3.48Å
73	K	73.1	Confident	65.1	Low	139 Å²	139	79.1 Å²	79.1	60%	0.604	44%	0.444	S	S	*	.	H	α-helix	trans	-67.6	-45.2	175.6	-174.3	176.9	-179.9	-179.8	0	112.1	G69 V70 F71 E75 S76 D77	G69-K73 PolarHBondContact O-N 3.29Å; G69-K73 VanDerWaalsContact O-N 3.17Å; V70-K73 PolarHBondContact O-N 3.26Å; F71-K73 VanDerWaalsContact C-N 3.3Å; F71-K73 PolarHBondContact O-N 3.03Å; K73-E75 VanDerWaalsContact C-N 3.31Å; K73-E75 PolarHBondContact O-N 2.86Å; K73-S76 PolarHBondContact O-N 2.97Å; K73-S76 PolarHBondContact O-OG 2.91Å; K73-D77 WeakPolarHBondContact O-CB 3.18Å; K73-D77 PolarHBondContact O-N 3.44Å
74	I	66.2	Low	65	Low	36 Å²	36	80.9 Å²	80.9	19%	0.185	46%	0.463	C	S	.	.	H	α-helix	trans	-64	-41	176.1	-79	127.7	0	0	0	110.8	Y57 I60 V70 F71 D77 T78	Y57-I74 HydrophobicContact CD2-CG2 4.3Å; I60-I74 HydrophobicContact CD1-CB 4.01Å; I60-I74 HydrophobicContact CD1-CD1 3.38Å; I60-I74 HydrophobicContact CD1-CG1 3.51Å; I60-I74 HydrophobicContact CD1-CG2 3.52Å; I60-I74 HydrophobicContact CG1-CD1 4.34Å; I60-I74 HydrophobicContact CG2-CD1 4.38Å; I60-I74 HydrophobicContact CG2-CG2 4.47Å; V70-I74 HydrophobicContact CG1-CD1 3.42Å; V70-I74 VanDerWaalsContact CG1-CD1 3.42Å; V70-I74 WeakPolarHBondContact O-CD1 3.44Å; V70-I74 PolarHBondContact O-N 3.39Å; F71-I74 PolarHBondContact O-N 3.5Å; I74-D77 PolarHBondContact O-N 3.45Å; I74-T78 WeakPolarHBondContact O-CB 3.32Å; I74-T78 PolarHBondContact O-N 3.03Å; I74-T78 PolarHBondContact O-OG1 3.35Å
75	E	67.9	Low	64.7	Low	88 Å²	88	79.3 Å²	79.3	41%	0.411	45%	0.452	S	S	.	.	H	α-helix	trans	-60	-49.2	176.5	-178.9	174.3	-153.1	0	0	110.8	Y57 F71 K73 D77 T78 I79	Y57-E75 HydrophobicContact CE2-CB 4.48Å; F71-E75 VanDerWaalsContact O-CB 3.27Å; F71-E75 WeakPolarHBondContact O-CB 3.39Å; F71-E75 PolarHBondContact O-N 3.01Å; K73-E75 VanDerWaalsContact C-N 3.31Å; K73-E75 PolarHBondContact O-N 2.86Å; E75-D77 PolarHBondContact O-N 2.88Å; E75-T78 PolarHBondContact O-N 3.26Å; E75-I79 HydrophobicContact CG-CD1 3.76Å; E75-I79 WeakPolarHBondContact O-CB 3.27Å; E75-I79 WeakPolarHBondContact O-CD1 3.21Å; E75-I79 WeakPolarHBondContact O-CG1 3.45Å; E75-I79 PolarHBondContact O-N 2.9Å
76	S	70.1	Confident	63.9	Low	63 Å²	63	77.8 Å²	77.8	44%	0.441	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-44.8	177.7	62.2	0	0	0	0	112.7	S72 K73 I79 A80	S72-S76 PolarHBondContact O-N 3.39Å; S72-S76 PolarHBondContact O-OG 3.48Å; K73-S76 PolarHBondContact O-N 2.97Å; K73-S76 PolarHBondContact O-OG 2.91Å; S76-I79 PolarHBondContact O-N 3.41Å; S76-A80 VanDerWaalsContact O-CB 3.31Å; S76-A80 WeakPolarHBondContact O-CB 3.16Å; S76-A80 PolarHBondContact O-N 3.03Å
77	D	67.9	Low	63.1	Low	79 Å²	79	79.3 Å²	79.3	42%	0.422	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-39.1	-179.6	-69	-8.6	0	0	0	111	K73 I74 E75 A80 Q81	K73-D77 WeakPolarHBondContact O-CB 3.18Å; K73-D77 PolarHBondContact O-N 3.44Å; I74-D77 PolarHBondContact O-N 3.45Å; E75-D77 PolarHBondContact O-N 2.88Å; D77-A80 PolarHBondContact O-N 2.85Å; D77-Q81 WeakPolarHBondContact O-CB 3.3Å; D77-Q81 VanDerWaalsContact O-CG 3.31Å; D77-Q81 WeakPolarHBondContact O-CG 3.29Å; D77-Q81 PolarHBondContact O-N 3.4Å
78	T	63.6	Low	62	Low	12 Å²	12	78.3 Å²	78.3	7%	0.074	46%	0.46	C	S	.	.	H	α-helix	trans	-63	-52.4	175.5	-59.8	0	0	0	0	109.1	Y57 I74 E75 A80 Q81 W82	Y57-T78 HydrophobicContact CD2-CG2 4.3Å; Y57-T78 HydrophobicContact CG-CG2 4.23Å; I74-T78 WeakPolarHBondContact O-CB 3.32Å; I74-T78 PolarHBondContact O-N 3.03Å; I74-T78 PolarHBondContact O-OG1 3.35Å; E75-T78 PolarHBondContact O-N 3.26Å; T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 3.42Å; T78-Q81 PolarHBondContact O-N 3.26Å; T78-W82 WeakPolarHBondContact O-CB 3.24Å; T78-W82 PolarHBondContact O-N 3.01Å
79	I	64.1	Low	60.9	Low	84 Å²	84	76.8 Å²	76.8	43%	0.431	46%	0.46	S	S	.	.	H	α-helix	trans	-57.8	-45.4	177.8	-69.1	166.1	0	0	0	111	E75 S76 W82 L83	E75-I79 HydrophobicContact CG-CD1 3.76Å; E75-I79 WeakPolarHBondContact O-CB 3.27Å; E75-I79 WeakPolarHBondContact O-CD1 3.21Å; E75-I79 WeakPolarHBondContact O-CG1 3.45Å; E75-I79 PolarHBondContact O-N 2.9Å; S76-I79 PolarHBondContact O-N 3.41Å; I79-W82 WeakPolarHBondContact O-CB 3.29Å; I79-W82 PolarHBondContact O-N 2.61Å; I79-L83 HydrophobicContact CG2-CD1 3.66Å; I79-L83 HydrophobicContact CG2-CG 4.11Å; I79-L83 WeakPolarHBondContact O-CB 3.25Å; I79-L83 VanDerWaalsContact O-CG 3.26Å; I79-L83 WeakPolarHBondContact O-CG 3.35Å; I79-L83 PolarHBondContact O-N 2.73Å
80	A	66.5	Low	59.9	Low	60 Å²	60	79 Å²	79	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-46.7	-179.4	0	0	0	0	0	112.2	S76 D77 T78 W82 S84	S76-A80 VanDerWaalsContact O-CB 3.31Å; S76-A80 WeakPolarHBondContact O-CB 3.16Å; S76-A80 PolarHBondContact O-N 3.03Å; D77-A80 PolarHBondContact O-N 2.85Å; T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 3.42Å; A80-W82 VanDerWaalsContact C-N 3.28Å; A80-W82 PolarHBondContact O-N 3.37Å; A80-S84 PolarHBondContact O-N 3.28Å; A80-S84 VanDerWaalsContact O-N 3.15Å
81	Q	60.5	Low	58.8	Low	105 Å²	105	79.4 Å²	79.4	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-38.8	174.3	-72.5	179.8	2.3	0	0	111.1	S53 D77 T78 S84 V85	S53-Q81 PolarHBondContact OG-OE1 3.04Å; D77-Q81 WeakPolarHBondContact O-CB 3.3Å; D77-Q81 VanDerWaalsContact O-CG 3.31Å; D77-Q81 WeakPolarHBondContact O-CG 3.29Å; D77-Q81 PolarHBondContact O-N 3.4Å; T78-Q81 PolarHBondContact O-N 3.26Å; Q81-S84 WeakPolarHBondContact O-CB 3.36Å; Q81-S84 PolarHBondContact O-N 3.27Å; Q81-S84 PolarHBondContact O-OG 3.49Å; Q81-V85 WeakPolarHBondContact O-CG2 3.23Å; Q81-V85 PolarHBondContact O-N 3.34Å
82	W	58	Low	57.8	Low	29 Å²	29	81.4 Å²	81.4	11%	0.11	47%	0.466	C	S	.	.	H	α-helix	trans	-65.5	-46.1	178.8	-95.8	98.3	0	0	0	113.6	I54 T78 I79 A80 S84 V85 T88 W91	I54-W82 HydrophobicContact CB-CZ2 4.45Å; I54-W82 HydrophobicContact CD1-CH2 3.57Å; I54-W82 HydrophobicContact CD1-CZ2 2.94Å; I54-W82 HydrophobicContact CG1-CH2 4.12Å; I54-W82 HydrophobicContact CG1-CZ2 3.02Å; I54-W82 VanDerWaalsContact CG1-NE1 3.29Å; T78-W82 WeakPolarHBondContact O-CB 3.24Å; T78-W82 PolarHBondContact O-N 3.01Å; I79-W82 WeakPolarHBondContact O-CB 3.29Å; I79-W82 PolarHBondContact O-N 2.61Å; A80-W82 VanDerWaalsContact C-N 3.28Å; A80-W82 PolarHBondContact O-N 3.37Å; W82-S84 PolarHBondContact O-N 3.3Å; W82-V85 CarbonylContact O-C 3.59Å; W82-V85 PolarHBondContact O-N 3.35Å; W82-T88 VanDerWaalsContact CZ3-OG1 3.27Å; W82-T88 WeakPolarHBondContact CZ3-OG1 3.36Å; W82-W91 HydrophobicContact CD2-CH2 4.48Å; W82-W91 AromaticContact CD2-CZ2 3.62Å; W82-W91 HydrophobicContact CD2-CZ2 3.62Å; W82-W91 AromaticContact CE2-CE2 3.75Å; W82-W91 AromaticContact CE2-CH2 3.62Å; W82-W91 AromaticContact CE2-CZ2 3.07Å; W82-W91 HydrophobicContact CE3-CZ2 4.01Å; W82-W91 AromaticContact CE3-NE1 3.84Å; W82-W91 HydrophobicContact CG-CZ2 4.34Å; W82-W91 AromaticContact CH2-CD1 3.64Å; W82-W91 AromaticContact CH2-CD2 3.98Å; W82-W91 HydrophobicContact CH2-CD2 3.98Å; W82-W91 AromaticContact CH2-CE2 3.12Å; W82-W91 HydrophobicContact CH2-CG 4.31Å; W82-W91 HydrophobicContact CH2-CH2 4.39Å; W82-W91 AromaticContact CH2-CZ2 3.44Å; W82-W91 HydrophobicContact CH2-CZ2 3.44Å; W82-W91 VanDerWaalsContact CH2-CZ2 3.44Å; W82-W91 AromaticContact CH2-NE1 2.86Å; W82-W91 AromaticContact CZ2-CD2 3.89Å; W82-W91 HydrophobicContact CZ2-CD2 3.89Å; W82-W91 AromaticContact CZ2-CE2 3.03Å; W82-W91 HydrophobicContact CZ2-CE3 4.4Å; W82-W91 AromaticContact CZ2-CH2 3.46Å; W82-W91 HydrophobicContact CZ2-CH2 3.46Å; W82-W91 VanDerWaalsContact CZ2-CH2 3.46Å; W82-W91 AromaticContact CZ2-CZ2 2.83Å; W82-W91 HydrophobicContact CZ2-CZ2 2.83Å; W82-W91 HydrophobicContact CZ2-CZ3 4.2Å; W82-W91 AromaticContact CZ2-NE1 3.37Å; W82-W91 AromaticContact CZ3-CE2 3.72Å; W82-W91 AromaticContact CZ3-CZ2 3.97Å; W82-W91 HydrophobicContact CZ3-CZ2 3.97Å; W82-W91 AromaticContact CZ3-NE1 3.13Å; W82-W91 AromaticContact NE1-CH2 3.74Å; W82-W91 AromaticContact NE1-CZ2 3.62Å
83	L	54.4	Low	56.7	Low	144 Å²	144	88.3 Å²	88.3	75%	0.754	48%	0.482	S	S	*	.	H	α-helix	trans	-64.7	-23.8	175.5	-68.8	173.3	0	0	0	112	I79	I79-L83 HydrophobicContact CG2-CD1 3.66Å; I79-L83 HydrophobicContact CG2-CG 4.11Å; I79-L83 WeakPolarHBondContact O-CB 3.25Å; I79-L83 VanDerWaalsContact O-CG 3.26Å; I79-L83 WeakPolarHBondContact O-CG 3.35Å; I79-L83 PolarHBondContact O-N 2.73Å
84	S	58.1	Low	55.2	Low	94 Å²	94	87.8 Å²	87.8	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-76	-24.8	172.9	82.2	0	0	0	0	113.3	A80 Q81 W82 G86	A80-S84 PolarHBondContact O-N 3.28Å; A80-S84 VanDerWaalsContact O-N 3.15Å; Q81-S84 WeakPolarHBondContact O-CB 3.36Å; Q81-S84 PolarHBondContact O-N 3.27Å; Q81-S84 PolarHBondContact O-OG 3.49Å; W82-S84 PolarHBondContact O-N 3.3Å; S84-G86 PolarHBondContact O-N 3.04Å
85	V	53.9	Low	54	Low	62 Å²	62	90.8 Å²	90.8	38%	0.376	50%	0.496	S	S	.	.	S	Bend	trans	-89.3	102.4	175.5	-173.7	0	0	0	0	107.1	Q81 W82 T87	Q81-V85 WeakPolarHBondContact O-CG2 3.23Å; Q81-V85 PolarHBondContact O-N 3.34Å; W82-V85 CarbonylContact O-C 3.59Å; W82-V85 PolarHBondContact O-N 3.35Å; V85-T87 VanDerWaalsContact CG1-OG1 3.23Å; V85-T87 WeakPolarHBondContact CG1-OG1 3.42Å; V85-T87 PolarHBondContact O-N 3.46Å
86	G	46.8	Very low	52.7	Low	86 Å²	86	91.2 Å²	91.2	89%	0.887	51%	0.507	S	S	*	.			trans	-65.3	30.5	-179.6	0	0	0	0	0	115.6	S84	S84-G86 PolarHBondContact O-N 3.04Å
87	T	43.3	Very low	51.2	Low	65 Å²	65	98 Å²	98	40%	0.399	53%	0.528	S	S	.	.			trans	-133.2	128.9	-178.1	65.1	0	0	0	0	110.2	V85	V85-T87 VanDerWaalsContact CG1-OG1 3.23Å; V85-T87 WeakPolarHBondContact CG1-OG1 3.42Å; V85-T87 PolarHBondContact O-N 3.46Å
88	T	45.4	Very low	49.7	Very low	65 Å²	65	98.4 Å²	98.4	40%	0.399	54%	0.536	S	S	.	.			trans	96.6	93.4	160.7	59	0	0	0	0	119.9	P48 W82 D90	P48-T88 VanDerWaalsContact CD-CG2 3.45Å; P48-T88 HydrophobicContact CG-CG2 3.28Å; P48-T88 VanDerWaalsContact CG-OG1 3.32Å; P48-T88 WeakPolarHBondContact CG-OG1 3.39Å; W82-T88 VanDerWaalsContact CZ3-OG1 3.27Å; W82-T88 WeakPolarHBondContact CZ3-OG1 3.36Å; T88-D90 VanDerWaalsContact C-N 3.33Å
89	D	43.9	Very low	48.3	Very low	153 Å²	153	102.8 Å²	102.8	82%	0.818	57%	0.567	S	S	*	*	S	Bend	trans	-76.8	-5.8	170.2	-136.4	-3.7	0	0	0	114.1
90	D	51.6	Low	47.1	Very low	102 Å²	102	105.4 Å²	105.4	55%	0.545	58%	0.581	S	S	.	*	S	Bend	trans	-111.1	-19	-159.1	-95.7	-26	0	0	0	117.6	T88	T88-D90 VanDerWaalsContact C-N 3.33Å
91	W	44.8	Very low	45.7	Very low	75 Å²	75	104.9 Å²	104.9	28%	0.284	58%	0.581	S	S	.	*	S	Bend	trans	-93.6	-21.2	-170.9	70.8	-76.3	0	0	0	113.7	I54 W82 R93 H94	I54-W91 HydrophobicContact CG1-CH2 4.44Å; I54-W91 HydrophobicContact CG2-CZ3 4.3Å; W82-W91 HydrophobicContact CD2-CH2 4.48Å; W82-W91 AromaticContact CD2-CZ2 3.62Å; W82-W91 HydrophobicContact CD2-CZ2 3.62Å; W82-W91 AromaticContact CE2-CE2 3.75Å; W82-W91 AromaticContact CE2-CH2 3.62Å; W82-W91 AromaticContact CE2-CZ2 3.07Å; W82-W91 HydrophobicContact CE3-CZ2 4.01Å; W82-W91 AromaticContact CE3-NE1 3.84Å; W82-W91 HydrophobicContact CG-CZ2 4.34Å; W82-W91 AromaticContact CH2-CD1 3.64Å; W82-W91 AromaticContact CH2-CD2 3.98Å; W82-W91 HydrophobicContact CH2-CD2 3.98Å; W82-W91 AromaticContact CH2-CE2 3.12Å; W82-W91 HydrophobicContact CH2-CG 4.31Å; W82-W91 HydrophobicContact CH2-CH2 4.39Å; W82-W91 AromaticContact CH2-CZ2 3.44Å; W82-W91 HydrophobicContact CH2-CZ2 3.44Å; W82-W91 VanDerWaalsContact CH2-CZ2 3.44Å; W82-W91 AromaticContact CH2-NE1 2.86Å; W82-W91 AromaticContact CZ2-CD2 3.89Å; W82-W91 HydrophobicContact CZ2-CD2 3.89Å; W82-W91 AromaticContact CZ2-CE2 3.03Å; W82-W91 HydrophobicContact CZ2-CE3 4.4Å; W82-W91 AromaticContact CZ2-CH2 3.46Å; W82-W91 HydrophobicContact CZ2-CH2 3.46Å; W82-W91 VanDerWaalsContact CZ2-CH2 3.46Å; W82-W91 AromaticContact CZ2-CZ2 2.83Å; W82-W91 HydrophobicContact CZ2-CZ2 2.83Å; W82-W91 HydrophobicContact CZ2-CZ3 4.2Å; W82-W91 AromaticContact CZ2-NE1 3.37Å; W82-W91 AromaticContact CZ3-CE2 3.72Å; W82-W91 AromaticContact CZ3-CZ2 3.97Å; W82-W91 HydrophobicContact CZ3-CZ2 3.97Å; W82-W91 AromaticContact CZ3-NE1 3.13Å; W82-W91 AromaticContact NE1-CH2 3.74Å; W82-W91 AromaticContact NE1-CZ2 3.62Å; W91-R93 PolarHBondContact O-N 2.85Å; W91-H94 WeakPolarHBondContact O-CB 3.46Å; W91-H94 PolarHBondContact O-N 3.28Å
92	L	46.2	Very low	44.8	Very low	100 Å²	100	111.7 Å²	111.7	52%	0.524	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-70.9	-14.3	171.9	-83.8	166.9	0	0	0	113.1	H94 I95	L92-H94 PolarHBondContact O-N 3.19Å; L92-I95 HydrophobicContact CD2-CD1 4.05Å; L92-I95 HydrophobicContact CD2-CG1 4.4Å; L92-I95 PolarHBondContact O-N 2.9Å
93	R	44.2	Very low	44.3	Very low	214 Å²	214	117.8 Å²	117.8	81%	0.808	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-67.4	-10.8	166.1	-80.9	-178.1	171.5	-124.6	0.8	113.1	W91	W91-R93 PolarHBondContact O-N 2.85Å
94	H	41	Very low	44.2	Very low	128 Å²	128	114.7 Å²	114.7	59%	0.593	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-102.1	27.2	175.6	-71.4	-46	0	0	0	114.2	W91 L92 P96	W91-H94 WeakPolarHBondContact O-CB 3.46Å; W91-H94 PolarHBondContact O-N 3.28Å; L92-H94 PolarHBondContact O-N 3.19Å; H94-P96 VanDerWaalsContact O-CD 3.31Å; H94-P96 WeakPolarHBondContact O-CD 3.16Å
95	I	41.7	Very low	44.1	Very low	99 Å²	99	119 Å²	119	51%	0.508	62%	0.617	S	S	.	*	S	Bend	trans	-66.4	120.1	154.6	-61.5	171.8	0	0	0	106	L92 K97	L92-I95 HydrophobicContact CD2-CD1 4.05Å; L92-I95 HydrophobicContact CD2-CG1 4.4Å; L92-I95 PolarHBondContact O-N 2.9Å; I95-K97 PolarHBondContact O-N 3.05Å
96	P	40.1	Very low	44.4	Very low	96 Å²	96	120.6 Å²	120.6	62%	0.623	62%	0.624	S	S	*	*			trans	-56.2	114.6	168.7	-15.4	28.1	0	0	0	106.1	H94 C98	H94-P96 VanDerWaalsContact O-CD 3.31Å; H94-P96 WeakPolarHBondContact O-CD 3.16Å; P96-C98 PolarHBondContact O-N 3.36Å
97	K	40.2	Very low	44.7	Very low	207 Å²	207	119.9 Å²	119.9	90%	0.9	61%	0.605	S	S	*	*			trans	-68.1	56.4	163.1	-70.8	-176	179.7	178.3	0	108.3	I95 S99	I95-K97 PolarHBondContact O-N 3.05Å; K97-S99 PolarHBondContact O-N 3.1Å
98	C	35.1	Very low	45.4	Very low	86 Å²	86	120.5 Å²	120.5	58%	0.581	61%	0.606	S	S	*	*			trans	-65.6	101.9	151.5	-65.4	0	0	0	0	103	P96 I100	P96-C98 PolarHBondContact O-N 3.36Å; C98-I100 PolarHBondContact O-N 2.76Å
99	S	33.7	Very low	46.2	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	62%	0.619	S	S	*	*			trans	-39.1	109.4	174.9	52.5	0	0	0	0	108.7	K97 G101	K97-S99 PolarHBondContact O-N 3.1Å; S99-G101 PolarHBondContact O-N 3.34Å
100	I	40	Very low	47.2	Very low	139 Å²	139	122.2 Å²	122.2	71%	0.713	61%	0.605	S	S	*	*			trans	-72.4	60.9	164.7	-62.6	170.2	0	0	0	105.2	C98 Y103	C98-I100 PolarHBondContact O-N 2.76Å; I100-Y103 HydrophobicContact CB-CE2 4.42Å; I100-Y103 HydrophobicContact CG1-CE2 4.09Å; I100-Y103 HydrophobicContact CG2-CD2 4.23Å; I100-Y103 HydrophobicContact CG2-CE2 4.05Å
101	G	36.3	Very low	47.7	Very low	49 Å²	49	124.3 Å²	124.3	51%	0.505	61%	0.605	S	S	.	*			trans	-65.4	136.4	155.2	0	0	0	0	0	105.6	S99 Y103	S99-G101 PolarHBondContact O-N 3.34Å; G101-Y103 PolarHBondContact O-N 2.88Å
102	R	42.2	Very low	48.4	Very low	247 Å²	247	125.4 Å²	125.4	93%	0.932	61%	0.612	S	S	*	*			trans	-32	106.7	-177.2	-67	-179.2	178.5	-173.5	-0.4	110.9	D104	R102-D104 PolarHBondContact O-N 3.08Å
103	Y	47	Very low	49.3	Very low	157 Å²	157	122.7 Å²	122.7	62%	0.616	60%	0.604	S	S	*	*			trans	-60.6	102.2	178	-83.1	-85.6	0	0	0	108.8	I100 G101	I100-Y103 HydrophobicContact CB-CE2 4.42Å; I100-Y103 HydrophobicContact CG1-CE2 4.09Å; I100-Y103 HydrophobicContact CG2-CD2 4.23Å; I100-Y103 HydrophobicContact CG2-CE2 4.05Å; G101-Y103 PolarHBondContact O-N 2.88Å
104	D	51.8	Low	50.2	Low	80 Å²	80	117 Å²	117	43%	0.428	59%	0.59	S	S	.	*			trans	-70	126.9	161.9	179.6	4.1	0	0	0	107.5	R102 N106 S107 L108	R102-D104 PolarHBondContact O-N 3.08Å; D104-N106 PolarHBondContact O-N 2.99Å; D104-N106 VanDerWaalsContact O-N 3.08Å; D104-N106 PolarHBondContact OD1-N 2.63Å; D104-S107 WeakPolarHBondContact O-CB 3.4Å; D104-S107 PolarHBondContact O-N 2.87Å; D104-L108 PolarHBondContact O-N 2.9Å
105	K	58	Low	51.1	Low	183 Å²	183	116.4 Å²	116.4	80%	0.796	58%	0.583	S	S	*	*	H	α-helix	trans	-54.3	-28.9	176.1	-69.6	179	179.7	176.4	0	111.3	K109	K105-K109 PolarHBondContact O-N 2.75Å
106	N	58.4	Low	51.9	Low	97 Å²	97	118.7 Å²	118.7	52%	0.519	60%	0.596	S	S	.	*	H	α-helix	trans	-72.1	-34.2	175.6	-64.1	-28.1	0	0	0	112.5	D104 L108 K109 N110	D104-N106 PolarHBondContact O-N 2.99Å; D104-N106 VanDerWaalsContact O-N 3.08Å; D104-N106 PolarHBondContact OD1-N 2.63Å; N106-L108 PolarHBondContact O-N 2.87Å; N106-K109 PolarHBondContact O-N 3.36Å; N106-N110 WeakPolarHBondContact O-CB 3.48Å; N106-N110 PolarHBondContact O-N 3.46Å; N106-N110 PolarHBondContact O-ND2 3.35Å
107	S	54.8	Low	52.9	Low	70 Å²	70	121.9 Å²	121.9	49%	0.49	60%	0.6	S	S	.	*	H	α-helix	trans	-65.5	-38.4	176.8	-69.7	0	0	0	0	112.1	D104 N110 W111	D104-S107 WeakPolarHBondContact O-CB 3.4Å; D104-S107 PolarHBondContact O-N 2.87Å; S107-N110 PolarHBondContact O-N 3.46Å; S107-W111 VanDerWaalsContact O-CB 3.3Å; S107-W111 WeakPolarHBondContact O-CB 3.07Å; S107-W111 PolarHBondContact O-N 3.26Å
108	L	57.9	Low	53.3	Low	78 Å²	78	117.7 Å²	117.7	41%	0.408	58%	0.584	S	S	.	*	H	α-helix	trans	-69.4	-38.9	175.9	-174.2	66	0	0	0	112.5	D104 N106 W111 K112	D104-L108 PolarHBondContact O-N 2.9Å; N106-L108 PolarHBondContact O-N 2.87Å; L108-W111 HydrophobicContact CD1-CE3 4.45Å; L108-K112 PolarHBondContact O-N 3.01Å
109	K	62.4	Low	54.1	Low	156 Å²	156	118.6 Å²	118.6	68%	0.678	59%	0.588	S	S	*	*	H	α-helix	trans	-62.8	-45.5	173.7	-93.9	-173.9	175.2	-177.1	0	111.4	K105 N106 K112 A113	K105-K109 PolarHBondContact O-N 2.75Å; N106-K109 PolarHBondContact O-N 3.36Å; K109-K112 PolarHBondContact O-N 3.25Å; K109-A113 WeakPolarHBondContact O-CB 3.43Å; K109-A113 PolarHBondContact O-N 3.15Å
110	N	62.9	Low	55	Low	98 Å²	98	121.3 Å²	121.3	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-66.5	-40.1	178.5	-70.6	-12.9	0	0	0	111.6	N106 S107 A113 N114	N106-N110 WeakPolarHBondContact O-CB 3.48Å; N106-N110 PolarHBondContact O-N 3.46Å; N106-N110 PolarHBondContact O-ND2 3.35Å; S107-N110 PolarHBondContact O-N 3.46Å; N110-A113 PolarHBondContact O-N 3.05Å; N110-N114 WeakPolarHBondContact O-CB 3.24Å; N110-N114 PolarHBondContact O-N 2.95Å; N110-N114 PolarHBondContact O-ND2 3.4Å
111	W	62.4	Low	55.2	Low	146 Å²	146	119 Å²	119	55%	0.553	59%	0.585	S	S	*	*	H	α-helix	trans	-61.5	-48.9	175.1	-178.5	82.9	0	0	0	111.7	S107 L108 A113 N114 Y115	S107-W111 VanDerWaalsContact O-CB 3.3Å; S107-W111 WeakPolarHBondContact O-CB 3.07Å; S107-W111 PolarHBondContact O-N 3.26Å; L108-W111 HydrophobicContact CD1-CE3 4.45Å; W111-A113 VanDerWaalsContact C-N 3.32Å; W111-A113 PolarHBondContact O-N 3.06Å; W111-N114 PolarHBondContact O-N 2.85Å; W111-Y115 HydrophobicContact CH2-CD2 4.42Å; W111-Y115 HydrophobicContact CH2-CG 4.3Å; W111-Y115 AromaticContact CZ2-CD2 3.87Å; W111-Y115 HydrophobicContact CZ2-CD2 3.87Å; W111-Y115 HydrophobicContact CZ2-CE2 4.32Å; W111-Y115 HydrophobicContact CZ2-CG 4.12Å; W111-Y115 WeakPolarHBondContact O-CB 3.42Å; W111-Y115 PolarHBondContact O-N 3.5Å
112	K	60.1	Low	55.6	Low	98 Å²	98	120.8 Å²	120.8	43%	0.426	59%	0.59	S	S	.	*	H	α-helix	trans	-60	-42.1	176	-82.1	-172	176.3	-176.6	0	112.4	L108 K109 N114 L116	L108-K112 PolarHBondContact O-N 3.01Å; K109-K112 PolarHBondContact O-N 3.25Å; K112-N114 VanDerWaalsContact C-N 3.34Å; K112-L116 PolarHBondContact O-N 3.34Å
113	A	65.7	Low	56.1	Low	43 Å²	43	114.4 Å²	114.4	36%	0.355	58%	0.575	S	S	.	*	H	α-helix	trans	-67.3	-33.9	179.9	0	0	0	0	0	112.7	K109 N110 W111 K117	K109-A113 WeakPolarHBondContact O-CB 3.43Å; K109-A113 PolarHBondContact O-N 3.15Å; N110-A113 PolarHBondContact O-N 3.05Å; W111-A113 VanDerWaalsContact C-N 3.32Å; W111-A113 PolarHBondContact O-N 3.06Å; A113-K117 VanDerWaalsContact O-CD 3.3Å; A113-K117 WeakPolarHBondContact O-CD 3.31Å; A113-K117 WeakPolarHBondContact O-CG 3.44Å
114	N	62.2	Low	56.3	Low	96 Å²	96	115.6 Å²	115.6	51%	0.513	58%	0.583	S	S	.	*	H	α-helix	trans	-82.7	-39.1	178.1	-73.8	-18.5	0	0	0	112.4	N110 W111 K112 L116 K117 Q118	N110-N114 WeakPolarHBondContact O-CB 3.24Å; N110-N114 PolarHBondContact O-N 2.95Å; N110-N114 PolarHBondContact O-ND2 3.4Å; W111-N114 PolarHBondContact O-N 2.85Å; K112-N114 VanDerWaalsContact C-N 3.34Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 2.8Å; N114-K117 PolarHBondContact O-N 3.45Å; N114-K117 VanDerWaalsContact O-N 3.09Å; N114-Q118 PolarHBondContact O-N 2.83Å; N114-Q118 VanDerWaalsContact O-N 3.13Å
115	Y	59.9	Low	56.2	Low	114 Å²	114	119 Å²	119	45%	0.447	60%	0.601	S	S	.	*	H	α-helix	trans	-61.1	-40.1	179.4	-173.2	-97.3	0	0	0	112.1	W111 K117	W111-Y115 HydrophobicContact CH2-CD2 4.42Å; W111-Y115 HydrophobicContact CH2-CG 4.3Å; W111-Y115 AromaticContact CZ2-CD2 3.87Å; W111-Y115 HydrophobicContact CZ2-CD2 3.87Å; W111-Y115 HydrophobicContact CZ2-CE2 4.32Å; W111-Y115 HydrophobicContact CZ2-CG 4.12Å; W111-Y115 WeakPolarHBondContact O-CB 3.42Å; W111-Y115 PolarHBondContact O-N 3.5Å; Y115-K117 VanDerWaalsContact C-N 3.28Å; Y115-K117 PolarHBondContact O-N 2.88Å
116	L	58.6	Low	55.9	Low	147 Å²	147	118 Å²	118	77%	0.77	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-15.4	176.9	-74.1	164.6	0	0	0	114	K112 N114	K112-L116 PolarHBondContact O-N 3.34Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 2.8Å
117	K	60.3	Low	55.6	Low	163 Å²	163	122.2 Å²	122.2	71%	0.709	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-14.9	-178.2	-74.1	179.9	-175.1	-176.2	0	113.5	A113 N114 Y115 P119	A113-K117 VanDerWaalsContact O-CD 3.3Å; A113-K117 WeakPolarHBondContact O-CD 3.31Å; A113-K117 WeakPolarHBondContact O-CG 3.44Å; N114-K117 PolarHBondContact O-N 3.45Å; N114-K117 VanDerWaalsContact O-N 3.09Å; Y115-K117 VanDerWaalsContact C-N 3.28Å; Y115-K117 PolarHBondContact O-N 2.88Å; K117-P119 WeakPolarHBondContact O-CD 3.09Å
118	Q	50.7	Low	55.4	Low	120 Å²	120	125 Å²	125	56%	0.561	61%	0.614	S	S	*	*	S	Bend	trans	-73.4	120.3	176	-76.1	-177.5	-2.9	0	0	108.5	N114 H120	N114-Q118 PolarHBondContact O-N 2.83Å; N114-Q118 VanDerWaalsContact O-N 3.13Å; Q118-H120 PolarHBondContact O-N 2.9Å; Q118-H120 VanDerWaalsContact O-N 3.13Å
119	P	51.7	Low	55.1	Low	105 Å²	105	124.7 Å²	124.7	68%	0.682	62%	0.616	S	S	*	*			trans	-57.7	123.8	163	25.1	-29	0	0	0	105.6	K117 S121	K117-P119 WeakPolarHBondContact O-CD 3.09Å; P119-S121 PolarHBondContact O-N 3.23Å
120	H	52.1	Low	54.5	Low	161 Å²	161	122.4 Å²	122.4	75%	0.745	61%	0.611	S	S	*	*			trans	-64.2	76.1	174.2	-65.3	-59.8	0	0	0	108.3	Q118 S122	Q118-H120 PolarHBondContact O-N 2.9Å; Q118-H120 VanDerWaalsContact O-N 3.13Å; H120-S122 PolarHBondContact O-N 3.42Å
121	S	43.5	Very low	53.7	Low	90 Å²	90	125.5 Å²	125.5	63%	0.629	62%	0.616	S	S	*	*			trans	-90.9	106	-172.1	75.9	0	0	0	0	108.3	P119	P119-S121 PolarHBondContact O-N 3.23Å
122	S	45.7	Very low	53.3	Low	88 Å²	88	121.3 Å²	121.3	62%	0.615	61%	0.609	S	S	*	*	S	Bend	trans	64.1	135.3	171.2	73.5	0	0	0	0	115.6	H120 K124	H120-S122 PolarHBondContact O-N 3.42Å; S122-K124 PolarHBondContact O-N 2.72Å
123	D	52.7	Low	53.2	Low	113 Å²	113	122.2 Å²	122.2	60%	0.604	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-57.8	16.7	-174.2	-120.4	-5	0	0	0	116.5	R126	D123-R126 WeakPolarHBondContact O-CB 3.46Å; D123-R126 PolarHBondContact O-N 3.42Å; D123-R126 VanDerWaalsContact OD1-CD 3.25Å; D123-R126 WeakPolarHBondContact OD1-CD 3.27Å; D123-R126 IonicContact OD1-CZ 3.83Å; D123-R126 IonicContact OD1-NE 3.7Å; D123-R126 IonicContact OD1-NH1 3.43Å; D123-R126 PolarHBondContact OD1-NH1 3.28Å; D123-R126 IonicContact OD2-CZ 3.94Å; D123-R126 IonicContact OD2-NH1 2.88Å; D123-R126 PolarHBondContact OD2-NH1 2.89Å
124	K	50.8	Low	52.6	Low	181 Å²	181	124.2 Å²	124.2	79%	0.787	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-78.6	-22.3	-172.5	-69.8	-172.7	176.3	-178.2	0	114.7	S122	S122-K124 PolarHBondContact O-N 2.72Å
125	D	49.7	Very low	52	Low	153 Å²	153	126.3 Å²	126.3	82%	0.818	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-102.7	15.3	174.2	-72	-24.1	0	0	0	112.5	F127	D125-F127 PolarHBondContact O-N 3.1Å; D125-F127 VanDerWaalsContact O-N 3.15Å
126	R	50.8	Low	51.9	Low	162 Å²	162	129.8 Å²	129.8	61%	0.611	65%	0.651	S	S	*	*	S	Bend	trans	-64.2	120.3	177	-153.6	-176.4	-165.8	161.3	-8.9	107.8	D123 I128	D123-R126 WeakPolarHBondContact O-CB 3.46Å; D123-R126 PolarHBondContact O-N 3.42Å; D123-R126 VanDerWaalsContact OD1-CD 3.25Å; D123-R126 WeakPolarHBondContact OD1-CD 3.27Å; D123-R126 IonicContact OD1-CZ 3.83Å; D123-R126 IonicContact OD1-NE 3.7Å; D123-R126 IonicContact OD1-NH1 3.43Å; D123-R126 PolarHBondContact OD1-NH1 3.28Å; D123-R126 IonicContact OD2-CZ 3.94Å; D123-R126 IonicContact OD2-NH1 2.88Å; D123-R126 PolarHBondContact OD2-NH1 2.89Å; R126-I128 WeakPolarHBondContact O-CG1 3.38Å; R126-I128 PolarHBondContact O-N 3.03Å
127	F	53.2	Low	51.9	Low	184 Å²	184	127.2 Å²	127.2	81%	0.807	65%	0.651	S	S	*	*			trans	-45.7	104.5	177.8	-73.3	-87.4	0	0	0	110.3	D125 T129	D125-F127 PolarHBondContact O-N 3.1Å; D125-F127 VanDerWaalsContact O-N 3.15Å; F127-T129 PolarHBondContact O-N 3.09Å
128	I	49.4	Very low	51.9	Low	128 Å²	128	128.6 Å²	128.6	66%	0.656	66%	0.657	S	S	*	*			trans	-74	99.5	177.8	-57.4	179.7	0	0	0	106.3	R126 S132 I133	R126-I128 WeakPolarHBondContact O-CG1 3.38Å; R126-I128 PolarHBondContact O-N 3.03Å; I128-S132 WeakPolarHBondContact CA-OG 3.26Å; I128-I133 HydrophobicContact CG2-CD1 3.55Å; I128-I133 HydrophobicContact CG2-CG1 3.19Å
129	T	51.8	Low	52.3	Low	73 Å²	73	130.6 Å²	130.6	45%	0.448	67%	0.666	S	S	.	*			trans	-79.5	152.2	166.8	59.2	0	0	0	0	108.6	F127 Y131 S132 I133	F127-T129 PolarHBondContact O-N 3.09Å; T129-Y131 PolarHBondContact O-N 3.28Å; T129-Y131 VanDerWaalsContact O-N 3.09Å; T129-S132 PolarHBondContact N-OG 2.61Å; T129-S132 PolarHBondContact O-N 3.12Å; T129-S132 PolarHBondContact O-OG 2.81Å; T129-S132 PolarHBondContact OG1-N 2.96Å; T129-S132 VanDerWaalsContact OG1-N 3.17Å; T129-S132 PolarHBondContact OG1-OG 3.38Å; T129-I133 PolarHBondContact O-N 3.48Å; T129-I133 VanDerWaalsContact O-N 3.14Å
130	L	50.1	Low	53	Low	108 Å²	108	133.2 Å²	133.2	57%	0.565	67%	0.673	S	S	*	*	H	α-helix	trans	-50.8	-34.3	169.8	-80.2	165.4	0	0	0	111.2	I133 S134	L130-I133 HydrophobicContact CD2-CD1 4.5Å; L130-I133 PolarHBondContact O-N 2.8Å; L130-S134 WeakPolarHBondContact O-CB 3.42Å; L130-S134 PolarHBondContact O-N 3.24Å; L130-S134 PolarHBondContact O-OG 2.97Å; L130-S134 VanDerWaalsContact O-OG 3.09Å
131	Y	47.1	Very low	53.5	Low	163 Å²	163	132.3 Å²	132.3	64%	0.639	67%	0.674	S	S	*	*	H	α-helix	trans	-57.8	-48.7	172.8	-172	-96.9	0	0	0	112.7	T129 I133 S134 Y135	T129-Y131 PolarHBondContact O-N 3.28Å; T129-Y131 VanDerWaalsContact O-N 3.09Å; Y131-I133 VanDerWaalsContact C-N 3.26Å; Y131-I133 PolarHBondContact O-N 3.47Å; Y131-S134 PolarHBondContact O-N 3.22Å; Y131-Y135 AromaticContact CD2-CD2 3.57Å; Y131-Y135 HydrophobicContact CD2-CD2 3.57Å; Y131-Y135 AromaticContact CD2-CE2 3.86Å; Y131-Y135 HydrophobicContact CD2-CE2 3.86Å; Y131-Y135 HydrophobicContact CD2-CG 4.42Å; Y131-Y135 AromaticContact CE2-CD2 3.59Å; Y131-Y135 HydrophobicContact CE2-CD2 3.59Å; Y131-Y135 AromaticContact CE2-CE2 3.84Å; Y131-Y135 HydrophobicContact CE2-CE2 3.84Å; Y131-Y135 HydrophobicContact CE2-CG 4.08Å; Y131-Y135 HydrophobicContact CG-CD2 4.14Å; Y131-Y135 WeakPolarHBondContact O-CB 3.5Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.2Å; Y131-Y135 PolarHBondContact O-N 3.35Å
132	S	53.6	Low	54.6	Low	58 Å²	58	135.4 Å²	135.4	41%	0.406	68%	0.679	S	S	.	*	H	α-helix	trans	-70.7	-16.9	177.1	49.5	0	0	0	0	114.8	I128 T129	I128-S132 WeakPolarHBondContact CA-OG 3.26Å; T129-S132 PolarHBondContact N-OG 2.61Å; T129-S132 PolarHBondContact O-N 3.12Å; T129-S132 PolarHBondContact O-OG 2.81Å; T129-S132 PolarHBondContact OG1-N 2.96Å; T129-S132 VanDerWaalsContact OG1-N 3.17Å; T129-S132 PolarHBondContact OG1-OG 3.38Å
133	I	58.1	Low	55.6	Low	116 Å²	116	139.9 Å²	139.9	60%	0.595	69%	0.69	S	S	*	*	H	α-helix	trans	-79.6	-43	171.8	-58.5	173.4	0	0	0	109.7	I128 T129 L130 Y131	I128-I133 HydrophobicContact CG2-CD1 3.55Å; I128-I133 HydrophobicContact CG2-CG1 3.19Å; T129-I133 PolarHBondContact O-N 3.48Å; T129-I133 VanDerWaalsContact O-N 3.14Å; L130-I133 HydrophobicContact CD2-CD1 4.5Å; L130-I133 PolarHBondContact O-N 2.8Å; Y131-I133 VanDerWaalsContact C-N 3.26Å; Y131-I133 PolarHBondContact O-N 3.47Å
134	S	53.4	Low	56.2	Low	85 Å²	85	140.3 Å²	140.3	59%	0.594	70%	0.697	S	S	*	*	H	α-helix	trans	-85.5	-17.9	-173.8	-56.7	0	0	0	0	113.9	L130 Y131	L130-S134 WeakPolarHBondContact O-CB 3.42Å; L130-S134 PolarHBondContact O-N 3.24Å; L130-S134 PolarHBondContact O-OG 2.97Å; L130-S134 VanDerWaalsContact O-OG 3.09Å; Y131-S134 PolarHBondContact O-N 3.22Å
135	Y	49.2	Very low	57	Low	141 Å²	141	140.1 Å²	140.1	55%	0.553	70%	0.696	S	S	*	*	S	Bend	trans	-126.7	119.3	-178.8	-65.5	-88	0	0	0	110.3	Y131 A137	Y131-Y135 AromaticContact CD2-CD2 3.57Å; Y131-Y135 HydrophobicContact CD2-CD2 3.57Å; Y131-Y135 AromaticContact CD2-CE2 3.86Å; Y131-Y135 HydrophobicContact CD2-CE2 3.86Å; Y131-Y135 HydrophobicContact CD2-CG 4.42Å; Y131-Y135 AromaticContact CE2-CD2 3.59Å; Y131-Y135 HydrophobicContact CE2-CD2 3.59Å; Y131-Y135 AromaticContact CE2-CE2 3.84Å; Y131-Y135 HydrophobicContact CE2-CE2 3.84Å; Y131-Y135 HydrophobicContact CE2-CG 4.08Å; Y131-Y135 HydrophobicContact CG-CD2 4.14Å; Y131-Y135 WeakPolarHBondContact O-CB 3.5Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.2Å; Y131-Y135 PolarHBondContact O-N 3.35Å; Y135-A137 PolarHBondContact O-N 2.6Å
136	E	57.8	Low	57.9	Low	186 Å²	186	140.6 Å²	140.6	87%	0.869	70%	0.697	S	S	*	*			trans	-61.5	135.6	167.4	-163.2	172.5	-161.3	0	0	108.6	K138	E136-K138 VanDerWaalsContact C-N 3.31Å; E136-K138 PolarHBondContact O-N 3.23Å
137	A	58.6	Low	58.6	Low	93 Å²	93	143.2 Å²	143.2	77%	0.769	71%	0.706	S	S	*	*			trans	-65.9	92.4	-179.7	0	0	0	0	0	109.1	Y135 Q139	Y135-A137 PolarHBondContact O-N 2.6Å; A137-Q139 PolarHBondContact O-N 3.25Å
138	K	59.9	Low	59	Low	193 Å²	193	140.1 Å²	140.1	84%	0.839	71%	0.705	S	S	*	*			trans	-62.4	120	170.7	-70.3	-172.3	177.6	-175.6	0	107.8	E136 L140	E136-K138 VanDerWaalsContact C-N 3.31Å; E136-K138 PolarHBondContact O-N 3.23Å; K138-L140 PolarHBondContact O-N 3.45Å
139	Q	59.3	Low	59.4	Low	162 Å²	162	139.1 Å²	139.1	76%	0.757	71%	0.705	S	S	*	*			trans	-59.4	132.1	161.6	-71.7	-164.7	9.8	0	0	106.8	A137 D141	A137-Q139 PolarHBondContact O-N 3.25Å; Q139-D141 PolarHBondContact O-N 3.21Å
140	L	65.9	Low	59.7	Low	159 Å²	159	138.9 Å²	138.9	83%	0.832	71%	0.706	S	S	*	*			trans	-69.4	85.1	167.7	-74	165.9	0	0	0	106.1	K138 E142	K138-L140 PolarHBondContact O-N 3.45Å; L140-E142 PolarHBondContact O-N 2.8Å
141	D	62.4	Low	60	Low	143 Å²	143	140 Å²	140	77%	0.765	72%	0.718	S	S	*	*			trans	-66.1	-18.7	177.7	-70.5	-22.6	0	0	0	111.3	Q139 Q143	Q139-D141 PolarHBondContact O-N 3.21Å; D141-Q143 PolarHBondContact O-N 3.35Å
142	E	67.7	Low	60.4	Low	155 Å²	155	136.9 Å²	136.9	72%	0.724	71%	0.712	S	S	*	*	S	Bend	trans	-80	115.4	170.7	-65.3	-168.4	-169.5	0	0	110.8	L140 T144	L140-E142 PolarHBondContact O-N 2.8Å; E142-T144 PolarHBondContact O-N 3.15Å
143	Q	66	Low	60.4	Low	182 Å²	182	141.2 Å²	141.2	85%	0.85	72%	0.72	S	S	*	*			trans	-51.9	116.5	165.8	-173.3	174.8	15.3	0	0	108.8	D141 K145	D141-Q143 PolarHBondContact O-N 3.35Å; Q143-K145 PolarHBondContact O-N 2.95Å
144	T	64.8	Low	60.4	Low	121 Å²	121	146.8 Å²	146.8	74%	0.742	73%	0.733	S	S	*	*			trans	-50.5	109.2	178.2	-48.9	0	0	0	0	109.1	E142 I146	E142-T144 PolarHBondContact O-N 3.15Å; T144-I146 PolarHBondContact O-N 3.39Å
145	K	68	Low	60.8	Low	178 Å²	178	149 Å²	149	77%	0.774	74%	0.739	S	S	*	*			trans	-53.1	135.7	178.6	-69.2	177.9	-177.3	171.3	0	108.4	Q143 R147	Q143-K145 PolarHBondContact O-N 2.95Å; K145-R147 PolarHBondContact O-N 3.48Å
146	I	68.6	Low	61.4	Low	162 Å²	162	149.3 Å²	149.3	83%	0.831	74%	0.743	S	S	*	*			trans	-53.4	116	175.4	-62.7	172.4	0	0	0	106.9	T144	T144-I146 PolarHBondContact O-N 3.39Å
147	R	66.4	Low	61.9	Low	217 Å²	217	145.7 Å²	145.7	82%	0.819	74%	0.735	S	S	*	*			trans	-56	125.9	177.9	-169.2	177	-170.3	170.6	4.6	107.1	K145 T149	K145-R147 PolarHBondContact O-N 3.48Å; R147-T149 PolarHBondContact O-N 2.88Å
148	P	61	Low	62.4	Low	120 Å²	120	148.2 Å²	148.2	78%	0.779	73%	0.731	S	S	*	*			trans	-58.6	106.1	174.9	21.2	-30.4	0	0	0	107.9	S150	P148-S150 PolarHBondContact O-N 2.8Å; P148-S150 VanDerWaalsContact O-N 3.08Å
149	T	58	Low	63	Low	106 Å²	106	142 Å²	142	65%	0.65	71%	0.711	S	S	*	*			trans	-67.6	106	164.1	43.4	0	0	0	0	104.9	R147 T151	R147-T149 PolarHBondContact O-N 2.88Å; T149-T151 PolarHBondContact O-N 3.23Å
150	S	57	Low	63.7	Low	69 Å²	69	137.7 Å²	137.7	48%	0.483	70%	0.698	S	S	.	*			trans	-50.8	134.1	177.2	74.8	0	0	0	0	108.7	P148 N152 R153	P148-S150 PolarHBondContact O-N 2.8Å; P148-S150 VanDerWaalsContact O-N 3.08Å; S150-N152 PolarHBondContact O-N 2.85Å; S150-R153 VanDerWaalsContact O-CB 3.27Å; S150-R153 WeakPolarHBondContact O-CB 3.39Å; S150-R153 PolarHBondContact O-N 3.43Å; S150-R153 PolarHBondContact OG-N 3.21Å
151	T	57.1	Low	63.9	Low	130 Å²	130	140.2 Å²	140.2	80%	0.798	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-29.5	175.6	-31.4	0	0	0	0	110.4	T149 R153 R154	T149-T151 PolarHBondContact O-N 3.23Å; T151-R153 PolarHBondContact O-N 3.44Å; T151-R154 PolarHBondContact O-N 3.07Å
152	N	56.1	Low	64.4	Low	99 Å²	99	138.9 Å²	138.9	53%	0.529	69%	0.689	S	S	.	*	H	α-helix	trans	-63.5	-20.5	174.4	-107.9	-25.1	0	0	0	115	S150 R154 N155 K156	S150-N152 PolarHBondContact O-N 2.85Å; N152-R154 PolarHBondContact O-N 3.38Å; N152-N155 PolarHBondContact O-N 2.9Å; N152-K156 PolarHBondContact O-N 2.97Å
153	R	54.1	Low	64.8	Low	149 Å²	149	136.3 Å²	136.3	56%	0.562	68%	0.676	S	S	*	*	H	α-helix	trans	-71.2	-21.1	177.6	-140.1	-175.8	174.5	-162.6	-2.7	112.5	S150 T151	S150-R153 VanDerWaalsContact O-CB 3.27Å; S150-R153 WeakPolarHBondContact O-CB 3.39Å; S150-R153 PolarHBondContact O-N 3.43Å; S150-R153 PolarHBondContact OG-N 3.21Å; T151-R153 PolarHBondContact O-N 3.44Å
154	R	57.8	Low	65.1	Low	233 Å²	233	130.9 Å²	130.9	88%	0.879	65%	0.652	S	S	*	*	H	α-helix	trans	-74.7	-28.9	174.2	-141.5	176.4	-178.1	-178.3	-0.1	112.1	T151 N152	T151-R154 PolarHBondContact O-N 3.07Å; N152-R154 PolarHBondContact O-N 3.38Å
155	N	60.3	Low	65.3	Low	132 Å²	132	128.8 Å²	128.8	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-100.9	-7.6	-179.4	-64.8	-13.5	0	0	0	113.7	N152	N152-N155 PolarHBondContact O-N 2.9Å
156	K	63.2	Low	65.4	Low	147 Å²	147	127.9 Å²	127.9	64%	0.639	63%	0.633	S	S	*	*	S	Bend	trans	-124.4	86.7	172.8	-68.4	-174	-179.9	-177.2	0	109	N152	N152-K156 PolarHBondContact O-N 2.97Å
157	P	67	Low	65.2	Low	109 Å²	109	126.3 Å²	126.3	71%	0.708	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-54.7	153	170	24.2	-32.5	0	0	0	109.4
158	Q	70.8	Confident	65.1	Low	147 Å²	147	122.1 Å²	122.1	69%	0.687	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-52.2	136.5	171.4	-66.2	-165.1	10.4	0	0	108.6	S160	Q158-S160 PolarHBondContact O-N 3.47Å
159	P	72.3	Confident	64.9	Low	63 Å²	63	121.5 Å²	121.5	41%	0.409	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-52.5	138.8	177.9	20.8	-32.2	0	0	0	109.6	F163 L164	P159-F163 HydrophobicContact CB-CB 3.95Å; P159-F163 HydrophobicContact CB-CD1 3.3Å; P159-F163 HydrophobicContact CB-CE1 4.04Å; P159-F163 HydrophobicContact CB-CG 3.84Å; P159-F163 HydrophobicContact CG-CD1 4.25Å; P159-L164 HydrophobicContact CB-CD2 4.35Å; P159-L164 HydrophobicContact CB-CG 4.26Å; P159-L164 HydrophobicContact CG-CD1 4.43Å; P159-L164 HydrophobicContact CG-CD2 3.7Å; P159-L164 HydrophobicContact CG-CG 3.96Å
160	S	73.3	Confident	64.8	Low	70 Å²	70	126.4 Å²	126.4	49%	0.49	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-57.3	153.5	177.4	68.5	0	0	0	0	110	Q158 L162 F163 L164	Q158-S160 PolarHBondContact O-N 3.47Å; S160-L162 PolarHBondContact O-N 3.36Å; S160-L162 VanDerWaalsContact O-N 3.09Å; S160-F163 WeakPolarHBondContact O-CA 3.16Å; S160-F163 WeakPolarHBondContact O-CB 3.49Å; S160-F163 PolarHBondContact O-N 3.45Å; S160-F163 PolarHBondContact OG-N 2.96Å; S160-L164 PolarHBondContact O-N 2.97Å; S160-L164 VanDerWaalsContact O-N 3.1Å
161	R	69.8	Low	64.6	Low	212 Å²	212	129.3 Å²	129.3	80%	0.8	62%	0.623	S	S	*	*	H	α-helix	trans	-54.1	-32.1	176.8	-169.3	174.3	173.4	156.7	-2.3	112	N165	R161-N165 WeakPolarHBondContact O-CB 3.31Å; R161-N165 PolarHBondContact O-N 3.4Å; R161-N165 VanDerWaalsContact O-N 3.07Å
162	L	74.2	Confident	64.4	Low	116 Å²	116	127.9 Å²	127.9	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-65	-46.1	172.6	-67.8	173.3	0	0	0	112.2	S160 L164 N165 F166	S160-L162 PolarHBondContact O-N 3.36Å; S160-L162 VanDerWaalsContact O-N 3.09Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 3.03Å; L162-N165 PolarHBondContact O-N 3.41Å; L162-F166 HydrophobicContact CB-CD2 4.47Å; L162-F166 HydrophobicContact CD2-CE2 4.32Å; L162-F166 WeakPolarHBondContact O-CD2 3.47Å; L162-F166 PolarHBondContact O-N 3.17Å
163	F	75.2	Confident	64.2	Low	101 Å²	101	132.9 Å²	132.9	44%	0.443	63%	0.633	S	S	.	*	H	α-helix	trans	-58.9	-46.6	177.6	-178.1	-86.4	0	0	0	111.5	P159 S160 N165 F166 H167	P159-F163 HydrophobicContact CB-CB 3.95Å; P159-F163 HydrophobicContact CB-CD1 3.3Å; P159-F163 HydrophobicContact CB-CE1 4.04Å; P159-F163 HydrophobicContact CB-CG 3.84Å; P159-F163 HydrophobicContact CG-CD1 4.25Å; S160-F163 WeakPolarHBondContact O-CA 3.16Å; S160-F163 WeakPolarHBondContact O-CB 3.49Å; S160-F163 PolarHBondContact O-N 3.45Å; S160-F163 PolarHBondContact OG-N 2.96Å; F163-N165 VanDerWaalsContact C-N 3.34Å; F163-N165 PolarHBondContact O-N 2.87Å; F163-F166 PolarHBondContact O-N 3.28Å; F163-H167 HydrophobicContact CD1-CB 4.39Å; F163-H167 AromaticContact CD2-CE1 3.87Å; F163-H167 AromaticContact CD2-ND1 3.75Å; F163-H167 HydrophobicContact CE1-CB 4.11Å; F163-H167 AromaticContact CE2-CD2 3.77Å; F163-H167 AromaticContact CE2-CE1 3.73Å; F163-H167 AromaticContact CE2-CG 3.82Å; F163-H167 AromaticContact CE2-ND1 3.78Å; F163-H167 AromaticContact CE2-NE2 3.72Å; F163-H167 HydrophobicContact CZ-CB 4.21Å; F163-H167 AromaticContact CZ-CD2 3.83Å; F163-H167 AromaticContact CZ-CG 3.84Å; F163-H167 VanDerWaalsContact O-CB 3.31Å; F163-H167 WeakPolarHBondContact O-CB 3.31Å; F163-H167 PolarHBondContact O-N 2.95Å; F163-H167 PolarHBondContact O-ND1 3.2Å
164	L	72.9	Confident	64.2	Low	68 Å²	68	132.4 Å²	132.4	36%	0.356	64%	0.641	S	S	.	*	H	α-helix	trans	-60	-44.4	176.6	-67.8	170.9	0	0	0	111.4	P159 S160 L162 F166 L168	P159-L164 HydrophobicContact CB-CD2 4.35Å; P159-L164 HydrophobicContact CB-CG 4.26Å; P159-L164 HydrophobicContact CG-CD1 4.43Å; P159-L164 HydrophobicContact CG-CD2 3.7Å; P159-L164 HydrophobicContact CG-CG 3.96Å; S160-L164 PolarHBondContact O-N 2.97Å; S160-L164 VanDerWaalsContact O-N 3.1Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 3.03Å; L164-F166 PolarHBondContact O-N 3.41Å; L164-L168 HydrophobicContact CB-CD1 4.28Å; L164-L168 HydrophobicContact CD2-CD1 3.45Å; L164-L168 VanDerWaalsContact CD2-CD1 3.45Å; L164-L168 HydrophobicContact CD2-CG 4.22Å; L164-L168 HydrophobicContact CG-CD1 4.46Å; L164-L168 VanDerWaalsContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 PolarHBondContact O-N 3.48Å
165	N	67.8	Low	63.7	Low	77 Å²	77	130.5 Å²	130.5	41%	0.412	64%	0.643	S	S	.	*	H	α-helix	trans	-61.7	-43.9	178.8	-84.4	-1	0	0	0	112.9	R161 L162 F163 H169	R161-N165 WeakPolarHBondContact O-CB 3.31Å; R161-N165 PolarHBondContact O-N 3.4Å; R161-N165 VanDerWaalsContact O-N 3.07Å; L162-N165 PolarHBondContact O-N 3.41Å; F163-N165 VanDerWaalsContact C-N 3.34Å; F163-N165 PolarHBondContact O-N 2.87Å; N165-H169 WeakPolarHBondContact O-CB 3.4Å
166	F	70.7	Confident	63.2	Low	159 Å²	159	132.2 Å²	132.2	70%	0.697	65%	0.646	S	S	*	*	H	α-helix	trans	-80.4	-30.3	-177.1	-75.4	-66.5	0	0	0	114.1	L162 F163 L164	L162-F166 HydrophobicContact CB-CD2 4.47Å; L162-F166 HydrophobicContact CD2-CE2 4.32Å; L162-F166 WeakPolarHBondContact O-CD2 3.47Å; L162-F166 PolarHBondContact O-N 3.17Å; F163-F166 PolarHBondContact O-N 3.28Å; L164-F166 PolarHBondContact O-N 3.41Å
167	H	64.4	Low	62.3	Low	128 Å²	128	132 Å²	132	59%	0.593	66%	0.657	S	S	*	*	H	α-helix	trans	-101.5	-27.5	-172.8	-71.6	66.2	0	0	0	113.9	F163	F163-H167 HydrophobicContact CD1-CB 4.39Å; F163-H167 AromaticContact CD2-CE1 3.87Å; F163-H167 AromaticContact CD2-ND1 3.75Å; F163-H167 HydrophobicContact CE1-CB 4.11Å; F163-H167 AromaticContact CE2-CD2 3.77Å; F163-H167 AromaticContact CE2-CE1 3.73Å; F163-H167 AromaticContact CE2-CG 3.82Å; F163-H167 AromaticContact CE2-ND1 3.78Å; F163-H167 AromaticContact CE2-NE2 3.72Å; F163-H167 HydrophobicContact CZ-CB 4.21Å; F163-H167 AromaticContact CZ-CD2 3.83Å; F163-H167 AromaticContact CZ-CG 3.84Å; F163-H167 VanDerWaalsContact O-CB 3.31Å; F163-H167 WeakPolarHBondContact O-CB 3.31Å; F163-H167 PolarHBondContact O-N 2.95Å; F163-H167 PolarHBondContact O-ND1 3.2Å
168	L	65.1	Low	61.3	Low	130 Å²	130	132.5 Å²	132.5	68%	0.681	66%	0.663	S	S	*	*	H	α-helix	trans	-89.8	-32.4	176.6	-65.5	178	0	0	0	112.5	L164	L164-L168 HydrophobicContact CB-CD1 4.28Å; L164-L168 HydrophobicContact CD2-CD1 3.45Å; L164-L168 VanDerWaalsContact CD2-CD1 3.45Å; L164-L168 HydrophobicContact CD2-CG 4.22Å; L164-L168 HydrophobicContact CG-CD1 4.46Å; L164-L168 VanDerWaalsContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 PolarHBondContact O-N 3.48Å
169	H	57	Low	59.7	Low	107 Å²	107	135.6 Å²	135.6	50%	0.495	69%	0.693	S	S	.	*			trans	-91.3	107.6	169.7	-55.9	-76.1	0	0	0	108.6	N165 L171	N165-H169 WeakPolarHBondContact O-CB 3.4Å; H169-L171 HydrophobicContact CB-CD1 4.14Å; H169-L171 HydrophobicContact CB-CD2 4.49Å; H169-L171 HydrophobicContact CB-CG 3.75Å; H169-L171 PolarHBondContact O-N 2.75Å
170	K	54	Low	59.1	Low	208 Å²	208	139.2 Å²	139.2	90%	0.904	71%	0.707	S	S	*	*			trans	-63.5	69.1	154.6	-69.3	-174.6	178.9	-176.5	0	108.1
171	L	52.9	Low	58.4	Low	131 Å²	131	142.8 Å²	142.8	69%	0.686	72%	0.718	S	S	*	*			trans	-73.8	124.5	169.2	-73.5	169.3	0	0	0	106.5	H169 K173	H169-L171 HydrophobicContact CB-CD1 4.14Å; H169-L171 HydrophobicContact CB-CD2 4.49Å; H169-L171 HydrophobicContact CB-CG 3.75Å; H169-L171 PolarHBondContact O-N 2.75Å; L171-K173 PolarHBondContact O-N 2.86Å
172	P	52.9	Low	57.7	Low	100 Å²	100	139 Å²	139	65%	0.649	71%	0.714	S	S	*	*			trans	-56.4	128	170.8	23	-29.3	0	0	0	107.6	N174	P172-N174 VanDerWaalsContact C-N 3.26Å; P172-N174 PolarHBondContact O-N 3.21Å
173	K	53.3	Low	56.8	Low	204 Å²	204	140.4 Å²	140.4	89%	0.887	72%	0.72	S	S	*	*			trans	-62	95.3	167.7	-71.7	180	178.8	-178.6	0	106.1	L171 E175	L171-K173 PolarHBondContact O-N 2.86Å; K173-E175 PolarHBondContact O-N 3.2Å
174	N	53.2	Low	55.6	Low	138 Å²	138	142.8 Å²	142.8	74%	0.738	74%	0.737	S	S	*	*			trans	-69.9	114.2	162.6	-76.6	-6.8	0	0	0	106	P172 E176	P172-N174 VanDerWaalsContact C-N 3.26Å; P172-N174 PolarHBondContact O-N 3.21Å; N174-E176 PolarHBondContact O-N 3.09Å; N174-E176 VanDerWaalsContact O-N 3.09Å
175	E	48.1	Very low	54.5	Low	194 Å²	194	147.8 Å²	147.8	91%	0.907	76%	0.763	S	S	*	*			trans	-53.6	104	168	-62.9	172.4	161.4	0	0	108.4	K173	K173-E175 PolarHBondContact O-N 3.2Å
176	E	49.3	Very low	53.5	Low	168 Å²	168	152.9 Å²	152.9	79%	0.785	79%	0.788	S	S	*	*			trans	-122.8	138.1	159.8	-75.7	-174	-179.8	0	0	107	N174	N174-E176 PolarHBondContact O-N 3.09Å; N174-E176 VanDerWaalsContact O-N 3.09Å
177	T	44.9	Very low	52.2	Low	141 Å²	141	152.4 Å²	152.4	87%	0.865	80%	0.795	S	S	*	*			trans	84.6	66.8	177.6	80	0	0	0	0	116.7
178	S	44.2	Very low	51.2	Low	120 Å²	120	154.4 Å²	154.4	84%	0.839	81%	0.811	S	S	*	*			trans	-92.4	133.4	132.1	-74.6	0	0	0	0	107.7
179	T	38.9	Very low	49.9	Very low	212 Å²	212	156.6 Å²	156.6	100%	1.301	82%	0.823	S	S	*	*			trans	-38	0	168.3	41.4	0	0	0	0	115.2

Retrieved 179 of 179 residues in 205.9 ms (Link to these results)

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