A0A087WRJ5_MOUSE Loading...

MutS homolog 3

AlphaFold DB , UniProt , Accession A0A087WRJ5, Species MOUSE (Mus musculus, Mouse), Gene Msh3, Length 159 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	35.5	Very low	51	Low	234 Å²	234	133.4 Å²	133.4	100%	1.153	83%	0.828	S	S	*	*				0	133.7	0	-71.4	-175.1	74.4	0	0	109.1
2	P	59.6	Low	50.6	Low	115 Å²	115	133.7 Å²	133.7	75%	0.747	83%	0.829	S	S	*	*			trans	-84.4	158.4	-172.7	35.4	-32.8	0	0	0	111.1
3	R	54.6	Low	50.9	Low	249 Å²	249	129.5 Å²	129.5	94%	0.94	82%	0.816	S	S	*	*			trans	-159.1	128.1	143.8	-104.2	157.5	-161.6	178.7	5.5	109.3
4	G	54.1	Low	51	Low	66 Å²	66	127 Å²	127	68%	0.68	81%	0.813	S	S	*	*			trans	-73.3	156.9	-154	0	0	0	0	0	115.1	S6	G4-S6 VanDerWaalsContact C-N 3.28Å; G4-S6 PolarHBondContact O-N 3.46Å; G4-S6 VanDerWaalsContact O-N 3.16Å
5	K	60.8	Low	51.5	Low	222 Å²	222	122.7 Å²	122.7	97%	0.965	80%	0.802	S	S	*	*			trans	-70.7	95.9	145.5	-116	102.2	175.4	-173.2	0	106.3
6	S	49.3	Very low	52	Low	113 Å²	113	119.9 Å²	119.9	79%	0.79	78%	0.784	S	S	*	*			trans	-113.7	145	162.7	-61.3	0	0	0	0	105.9	G4	G4-S6 VanDerWaalsContact C-N 3.28Å; G4-S6 PolarHBondContact O-N 3.46Å; G4-S6 VanDerWaalsContact O-N 3.16Å
7	A	42	Very low	52.3	Low	90 Å²	90	115.4 Å²	115.4	74%	0.744	76%	0.764	S	S	*	*			cis	-157	165.2	-6.3	0	0	0	0	0	105.4	G9	A7-G9 PolarHBondContact O-N 2.76Å
8	S	57.1	Low	52.7	Low	127 Å²	127	116.6 Å²	116.6	89%	0.888	77%	0.77	S	S	*	*			trans	-34.7	129.3	150.3	178.8	0	0	0	0	111.7
9	G	46.4	Very low	52.9	Low	73 Å²	73	113.5 Å²	113.5	75%	0.753	76%	0.762	S	S	*	*			trans	-166.5	85.3	173.2	0	0	0	0	0	106.2	A7	A7-G9 PolarHBondContact O-N 2.76Å
10	G	51.3	Low	52.9	Low	61 Å²	61	119.1 Å²	119.1	63%	0.629	77%	0.766	S	S	*	*				89.4	100.5	73.3	0	0	0	0	0	105.6	T12	G10-T12 PolarHBondContact O-N 3.17Å
11	S	49.7	Very low	53.1	Low	117 Å²	117	118.6 Å²	118.6	82%	0.818	75%	0.754	S	S	*	*			trans	-42.5	107.3	175.7	179.1	0	0	0	0	109.5	A13	S11-A13 PolarHBondContact O-N 2.73Å
12	T	46.4	Very low	54.2	Low	137 Å²	137	110.7 Å²	110.7	84%	0.84	72%	0.719	S	S	*	*			trans	-75.6	72.5	164.9	44.9	0	0	0	0	106.7	G10 A14	G10-T12 PolarHBondContact O-N 3.17Å; T12-A14 VanDerWaalsContact C-N 3.26Å; T12-A14 PolarHBondContact O-N 3.14Å
13	A	55.2	Low	54.4	Low	80 Å²	80	109 Å²	109	66%	0.661	71%	0.707	S	S	*	*			trans	-53.6	105.6	150.9	0	0	0	0	0	105	S11 G15	S11-A13 PolarHBondContact O-N 2.73Å; A13-G15 PolarHBondContact O-N 2.91Å
14	A	52.4	Low	54.9	Low	94 Å²	94	102 Å²	102	78%	0.777	69%	0.687	S	S	*	*			trans	-48.5	106.4	-178.8	0	0	0	0	0	108.1	T12 P16	T12-A14 VanDerWaalsContact C-N 3.26Å; T12-A14 PolarHBondContact O-N 3.14Å; A14-P16 VanDerWaalsContact O-CD 3.3Å; A14-P16 WeakPolarHBondContact O-CD 3.44Å; A14-P16 VanDerWaalsContact O-N 3.17Å
15	G	58.7	Low	55.4	Low	63 Å²	63	101.8 Å²	101.8	65%	0.649	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-56.2	121.2	179.8	0	0	0	0	0	108	A13 G17	A13-G15 PolarHBondContact O-N 2.91Å; G15-G17 PolarHBondContact O-N 3.39Å
16	P	58.5	Low	55.8	Low	78 Å²	78	99.2 Å²	99.2	51%	0.506	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-58.3	117.9	176.4	16	-26.8	0	0	0	109.3	A14 Q21	A14-P16 VanDerWaalsContact O-CD 3.3Å; A14-P16 WeakPolarHBondContact O-CD 3.44Å; A14-P16 VanDerWaalsContact O-N 3.17Å; P16-Q21 VanDerWaalsContact CB-CD 3.48Å; P16-Q21 HydrophobicContact CB-CG 3.86Å; P16-Q21 HydrophobicContact CG-CG 4.2Å
17	G	57.4	Low	56.8	Low	43 Å²	43	101.2 Å²	101.2	44%	0.443	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-57.3	156	-166.4	0	0	0	0	0	114.6	G15 G19 R20	G15-G17 PolarHBondContact O-N 3.39Å; G17-G19 PolarHBondContact O-N 3.16Å; G17-R20 PolarHBondContact O-N 3.16Å
18	P	59.1	Low	57.9	Low	136 Å²	136	104.3 Å²	104.3	88%	0.883	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-5	-162.2	-22.8	33.3	0	0	0	117.1
19	G	56.9	Low	58.2	Low	59 Å²	59	108.2 Å²	108.2	61%	0.608	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-16.7	-172	0	0	0	0	0	116	G17	G17-G19 PolarHBondContact O-N 3.16Å
20	R	51.9	Low	58.9	Low	224 Å²	224	110.1 Å²	110.1	85%	0.845	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-16.2	-165.3	-54.5	-174.3	91.8	-141.3	6.9	114.7	G17	G17-R20 PolarHBondContact O-N 3.16Å
21	Q	59	Low	59	Low	109 Å²	109	111.2 Å²	111.2	51%	0.509	65%	0.651	S	S	.	*	S	Bend	trans	-91.4	-21.6	-178.6	-63.7	-158.9	-47.7	0	0	114.6	P16 V23 L24 S25	P16-Q21 VanDerWaalsContact CB-CD 3.48Å; P16-Q21 HydrophobicContact CB-CG 3.86Å; P16-Q21 HydrophobicContact CG-CG 4.2Å; Q21-V23 VanDerWaalsContact C-N 3.25Å; Q21-V23 PolarHBondContact O-N 3.14Å; Q21-L24 PolarHBondContact O-N 2.87Å; Q21-S25 PolarHBondContact O-N 2.86Å; Q21-S25 VanDerWaalsContact O-N 3.1Å
22	T	58.3	Low	59.1	Low	69 Å²	69	108.9 Å²	108.9	42%	0.423	65%	0.645	S	S	.	*	H	α-helix	trans	-69.6	-20.9	-175.4	21.6	0	0	0	0	113.7	S25 R26	T22-S25 PolarHBondContact O-OG 2.82Å; T22-R26 WeakPolarHBondContact O-CG 2.96Å; T22-R26 PolarHBondContact O-NE 2.96Å
23	V	63.1	Low	59.5	Low	80 Å²	80	107.6 Å²	107.6	49%	0.485	64%	0.642	S	S	.	*	H	α-helix	trans	-78.2	-43.3	176.4	-178.2	0	0	0	0	110.1	Q21 R26 F27	Q21-V23 VanDerWaalsContact C-N 3.25Å; Q21-V23 PolarHBondContact O-N 3.14Å; V23-R26 PolarHBondContact O-N 3.49Å; V23-F27 HydrophobicContact CG1-CE2 4.07Å; V23-F27 WeakPolarHBondContact O-CD2 3.28Å
24	L	64.8	Low	59.4	Low	101 Å²	101	111.6 Å²	111.6	53%	0.529	65%	0.651	S	S	.	*	H	α-helix	trans	-70.2	-36.7	179.7	-72.5	168.3	0	0	0	112.3	Q21 R26 F27 F28	Q21-L24 PolarHBondContact O-N 2.87Å; L24-R26 PolarHBondContact O-N 3.38Å; L24-F27 WeakPolarHBondContact O-CB 3.16Å; L24-F27 PolarHBondContact O-N 2.94Å; L24-F28 HydrophobicContact CB-CD2 4.35Å; L24-F28 HydrophobicContact CB-CE2 4.08Å; L24-F28 HydrophobicContact CD2-CE2 4.32Å; L24-F28 WeakPolarHBondContact O-CD2 3.33Å; L24-F28 PolarHBondContact O-N 3.16Å
25	S	64.1	Low	59.1	Low	61 Å²	61	117.5 Å²	117.5	43%	0.427	65%	0.654	S	S	.	*	H	α-helix	trans	-62.7	-25.1	179.7	70.6	0	0	0	0	113.8	Q21 T22 F27 R29	Q21-S25 PolarHBondContact O-N 2.86Å; Q21-S25 VanDerWaalsContact O-N 3.1Å; T22-S25 PolarHBondContact O-OG 2.82Å; S25-F27 VanDerWaalsContact C-N 3.35Å; S25-R29 PolarHBondContact O-N 3.15Å
26	R	70.4	Confident	58.5	Low	169 Å²	169	120.3 Å²	120.3	64%	0.638	66%	0.663	S	S	*	*	H	α-helix	trans	-71.5	-30	173.9	-65.1	170.7	-172.6	162.8	2.1	112.1	T22 V23 L24	T22-R26 WeakPolarHBondContact O-CG 2.96Å; T22-R26 PolarHBondContact O-NE 2.96Å; V23-R26 PolarHBondContact O-N 3.49Å; L24-R26 PolarHBondContact O-N 3.38Å
27	F	70.3	Confident	57.8	Low	155 Å²	155	121.1 Å²	121.1	68%	0.68	67%	0.671	S	S	*	*	H	α-helix	trans	-80.4	-29.1	176.7	-68.9	-78.5	0	0	0	112.9	V23 L24 S25	V23-F27 HydrophobicContact CG1-CE2 4.07Å; V23-F27 WeakPolarHBondContact O-CD2 3.28Å; L24-F27 WeakPolarHBondContact O-CB 3.16Å; L24-F27 PolarHBondContact O-N 2.94Å; S25-F27 VanDerWaalsContact C-N 3.35Å
28	F	65.6	Low	57.2	Low	155 Å²	155	123.4 Å²	123.4	68%	0.68	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-0.5	179	-65.1	-68.7	0	0	0	114.5	L24	L24-F28 HydrophobicContact CB-CD2 4.35Å; L24-F28 HydrophobicContact CB-CE2 4.08Å; L24-F28 HydrophobicContact CD2-CE2 4.32Å; L24-F28 WeakPolarHBondContact O-CD2 3.33Å; L24-F28 PolarHBondContact O-N 3.16Å
29	R	63.7	Low	56.4	Low	208 Å²	208	122 Å²	122	79%	0.785	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-8.3	179.9	-121.4	170.1	68.5	-154.9	2.3	114.6	S25	S25-R29 PolarHBondContact O-N 3.15Å
30	S	60.8	Low	55.5	Low	114 Å²	114	124.6 Å²	124.6	80%	0.797	69%	0.688	S	S	*	*	S	Bend	trans	-115.1	4.6	-169	-70.1	0	0	0	0	116.4
31	A	53.5	Low	55.1	Low	84 Å²	84	120.6 Å²	120.6	69%	0.694	69%	0.688	S	S	*	*	S	Bend	trans	-143	110.8	165.2	0	0	0	0	0	107.6
32	G	51.3	Low	54	Low	67 Å²	67	124 Å²	124	69%	0.691	70%	0.704	S	S	*	*			trans	-1.9	115.6	-179.8	0	0	0	0	0	116.6	L34	G32-L34 PolarHBondContact O-N 2.9Å
33	S	54.2	Low	53.3	Low	111 Å²	111	126 Å²	126	78%	0.776	72%	0.718	S	S	*	*			trans	-42.9	100.7	159	179.4	0	0	0	0	109.3	R35	S33-R35 VanDerWaalsContact C-N 3.32Å; S33-R35 PolarHBondContact O-N 2.86Å
34	L	54.3	Low	52.4	Low	163 Å²	163	126.9 Å²	126.9	85%	0.853	73%	0.734	S	S	*	*			trans	-69.3	101.8	167.3	-69	178.6	0	0	0	105.1	G32 S36	G32-L34 PolarHBondContact O-N 2.9Å; L34-S36 PolarHBondContact O-N 2.9Å
35	R	45.2	Very low	51.3	Low	219 Å²	219	131.4 Å²	131.4	83%	0.826	75%	0.753	S	S	*	*			trans	-43.9	108	174.3	-56.1	-175.9	85.1	-166.6	5.3	108.1	S33 S37	S33-R35 VanDerWaalsContact C-N 3.32Å; S33-R35 PolarHBondContact O-N 2.86Å; R35-S37 PolarHBondContact O-N 2.95Å
36	S	45.4	Very low	50.6	Low	122 Å²	122	137.7 Å²	137.7	85%	0.853	77%	0.772	S	S	*	*			trans	-72.6	81.5	155.3	-68.6	0	0	0	0	105.9	L34 A38	L34-S36 PolarHBondContact O-N 2.9Å; S36-A38 PolarHBondContact O-N 3.05Å
37	S	45.7	Very low	49.2	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	78%	0.784	S	S	*	*			trans	-77.4	82.9	167.1	-160	0	0	0	0	107	R35 S39	R35-S37 PolarHBondContact O-N 2.95Å; S37-S39 PolarHBondContact O-N 2.97Å; S37-S39 VanDerWaalsContact O-N 3.16Å
38	A	43.5	Very low	48.1	Very low	90 Å²	90	135 Å²	135	74%	0.744	79%	0.787	S	S	*	*			trans	-67.5	106.4	160.3	0	0	0	0	0	107.4	S36	S36-A38 PolarHBondContact O-N 3.05Å
39	S	43.2	Very low	46.8	Very low	108 Å²	108	137 Å²	137	76%	0.755	80%	0.798	S	S	*	*			trans	39.9	117.6	160.6	63.7	0	0	0	0	119.7	S37	S37-S39 PolarHBondContact O-N 2.97Å; S37-S39 VanDerWaalsContact O-N 3.16Å
40	S	38.2	Very low	45.8	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	79%	0.792	S	S	*	*			trans	-129.2	119.2	131	61.4	0	0	0	0	108.6
41	T	42.6	Very low	45.4	Very low	140 Å²	140	132.2 Å²	132.2	86%	0.859	79%	0.794	S	S	*	*			trans	-41.6	129.8	166	-57.2	0	0	0	0	112
42	E	36.6	Very low	45.4	Very low	181 Å²	181	133.6 Å²	133.6	85%	0.846	80%	0.799	S	S	*	*			trans	-147.7	145.1	156.3	-121.1	-142.8	141	0	0	111
43	P	43.9	Very low	45.7	Very low	110 Å²	110	141.7 Å²	141.7	71%	0.714	81%	0.809	S	S	*	*			trans	-88.8	150.5	-174.1	35.7	-30.5	0	0	0	113.3
44	A	42.1	Very low	45.7	Very low	99 Å²	99	145.7 Å²	145.7	82%	0.818	81%	0.812	S	S	*	*			trans	13	122	157.2	0	0	0	0	0	120.5
45	E	42.4	Very low	45.6	Very low	197 Å²	197	149.1 Å²	149.1	92%	0.921	81%	0.814	S	S	*	*				-156.2	144.3	125.3	-141.9	173.2	174.1	0	0	111.8
46	K	49.6	Very low	46	Very low	192 Å²	192	144.6 Å²	144.6	84%	0.835	82%	0.816	S	S	*	*			trans	-88.4	141.8	-178.2	-48.4	-176	-177.3	-140.1	0	108.8
47	V	41.3	Very low	46.5	Very low	146 Å²	146	146.6 Å²	146.6	89%	0.885	82%	0.816	S	S	*	*			trans	-159.6	122.7	138.2	165.7	0	0	0	0	108.2
48	T	46.2	Very low	46.2	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	82%	0.82	S	S	*	*			trans	-72.3	168.1	168.6	37.6	0	0	0	0	112
49	E	39.7	Very low	46.3	Very low	198 Å²	198	149.6 Å²	149.6	93%	0.925	83%	0.829	S	S	*	*			trans	96.8	130.9	160.2	-150.9	159.7	-165.6	0	0	115.4
50	G	42.3	Very low	46.7	Very low	63 Å²	63	148.1 Å²	148.1	65%	0.649	83%	0.831	S	S	*	*			cis	-157.9	142.6	11.6	0	0	0	0	0	113
51	D	51.7	Low	47.8	Very low	158 Å²	158	145.5 Å²	145.5	85%	0.845	82%	0.821	S	S	*	*			trans	-68.5	115	164.5	172.8	30.1	0	0	0	109.9
52	S	54.1	Low	48.7	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	82%	0.823	S	S	*	*			trans	-150.1	50.3	168.8	62.2	0	0	0	0	113	K54	S52-K54 VanDerWaalsContact C-N 3.29Å; S52-K54 PolarHBondContact O-N 3.17Å; S52-K54 VanDerWaalsContact O-N 3.14Å
53	R	58	Low	49.4	Very low	237 Å²	237	143.1 Å²	143.1	89%	0.894	82%	0.822	S	S	*	*			trans	-82.5	76.6	160.4	-84.3	-170.5	-74.8	-147.2	-4.5	110.3
54	K	52.8	Low	49.8	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	83%	0.832	S	S	*	*			trans	-136.8	90.2	159.6	-74.6	-157.8	-177.2	-173.4	0	111.4	S52	S52-K54 VanDerWaalsContact C-N 3.29Å; S52-K54 PolarHBondContact O-N 3.17Å; S52-K54 VanDerWaalsContact O-N 3.14Å
55	R	53.1	Low	50.9	Low	235 Å²	235	153.4 Å²	153.4	89%	0.887	84%	0.837	S	S	*	*			trans	-143.4	81.5	149.2	-68.7	-167	-164.3	96.6	3.9	108.9
56	S	52.8	Low	51.3	Low	125 Å²	125	153.4 Å²	153.4	87%	0.874	83%	0.834	S	S	*	*			trans	-86.2	101.9	158.8	52.8	0	0	0	0	107.6
57	L	55.8	Low	51.5	Low	164 Å²	164	149 Å²	149	86%	0.859	83%	0.834	S	S	*	*			trans	-126.7	118.5	174.2	-95.1	157.8	0	0	0	108.4
58	G	40	Very low	52.1	Low	73 Å²	73	152.5 Å²	152.5	75%	0.753	83%	0.831	S	S	*	*			trans	110.8	63.6	161.1	0	0	0	0	0	116.4	G60	G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 2.83Å
59	N	45.2	Very low	51.8	Low	175 Å²	175	156.4 Å²	156.4	94%	0.936	84%	0.837	S	S	*	*			trans	-72.4	86.8	152.4	-73.4	-51.3	0	0	0	108.6	G61	N59-G61 PolarHBondContact O-N 3.33Å
60	G	52.4	Low	52.1	Low	77 Å²	77	151.6 Å²	151.6	79%	0.794	82%	0.821	S	S	*	*			trans	-82.6	89.8	163.6	0	0	0	0	0	109.3	G58	G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 2.83Å
61	G	61.5	Low	52.4	Low	56 Å²	56	154.5 Å²	154.5	58%	0.577	83%	0.829	S	S	*	*			trans	-65.1	147.8	175.6	0	0	0	0	0	112	N59 T63	N59-G61 PolarHBondContact O-N 3.33Å; G61-T63 PolarHBondContact O-N 2.89Å; G61-T63 VanDerWaalsContact O-N 3.12Å
62	P	60.2	Low	51.9	Low	136 Å²	136	155.5 Å²	155.5	88%	0.883	83%	0.828	S	S	*	*			trans	-69.5	110.9	177	25.6	-29.9	0	0	0	109.9	K64	P62-K64 PolarHBondContact O-N 2.84Å
63	T	52.5	Low	51.7	Low	135 Å²	135	160 Å²	160	83%	0.828	83%	0.834	S	S	*	*			trans	-66.8	126.2	175.2	45.7	0	0	0	0	109.9	G61 K65	G61-T63 PolarHBondContact O-N 2.89Å; G61-T63 VanDerWaalsContact O-N 3.12Å; T63-K65 PolarHBondContact O-N 2.87Å
64	K	52.3	Low	50.9	Low	215 Å²	215	157.2 Å²	157.2	94%	0.935	83%	0.831	S	S	*	*			trans	-54.8	120.2	172.3	-68.1	175.8	176.1	174.9	0	109.6	P62	P62-K64 PolarHBondContact O-N 2.84Å
65	K	64.4	Low	50.9	Low	210 Å²	210	157.4 Å²	157.4	91%	0.913	84%	0.835	S	S	*	*			trans	-119.4	113.8	157.7	-162.3	170.9	-178.6	176.5	0	109.6	T63	T63-K65 PolarHBondContact O-N 2.87Å
66	K	51.7	Low	50.3	Low	197 Å²	197	153.7 Å²	153.7	86%	0.857	83%	0.828	S	S	*	*			trans	-73.8	132.9	175.5	178.8	-178.3	-179	-178.7	0	109.3
67	A	53.4	Low	50.3	Low	101 Å²	101	154.1 Å²	154.1	84%	0.835	82%	0.82	S	S	*	*			trans	-146.6	114.4	149.7	0	0	0	0	0	108.2
68	R	53.2	Low	49.6	Very low	219 Å²	219	153.9 Å²	153.9	83%	0.826	82%	0.818	S	S	*	*			trans	-76.3	127.3	170.3	171.3	-172.5	178.5	-158.6	1.1	107.3
69	K	41.4	Very low	50.1	Low	202 Å²	202	154.6 Å²	154.6	88%	0.878	81%	0.811	S	S	*	*			trans	-149.6	133.9	149.3	-129	173.3	-178.8	-170	0	111.1
70	V	44.9	Very low	50	Low	97 Å²	97	153 Å²	153	59%	0.588	81%	0.808	S	S	*	*			trans	-59.2	140.4	-179.3	175.3	0	0	0	0	110.4	E72	V70-E72 HydrophobicContact CG1-CG 3.94Å
71	P	49.4	Very low	49.3	Very low	125 Å²	125	153.5 Å²	153.5	81%	0.812	80%	0.804	S	S	*	*			trans	-97.8	106.5	151.9	26.4	-15.9	0	0	0	109
72	E	40.4	Very low	48.9	Very low	178 Å²	178	155.8 Å²	155.8	83%	0.832	82%	0.818	S	S	*	*			trans	-66.6	141.9	162.6	-76.1	174.2	161.6	0	0	108.3	V70	V70-E72 HydrophobicContact CG1-CG 3.94Å
73	K	50.7	Low	47.9	Very low	207 Å²	207	157.7 Å²	157.7	90%	0.9	82%	0.815	S	S	*	*			trans	-68	135	173.8	-68.7	176.7	172.1	179.5	0	108.6
74	E	41.7	Very low	47.5	Very low	179 Å²	179	157.4 Å²	157.4	84%	0.836	80%	0.804	S	S	*	*			trans	-141.7	113.5	150.5	-152.2	162.6	-170.5	0	0	109.7	E76	E74-E76 PolarHBondContact O-N 3.46Å
75	E	52.4	Low	47.5	Very low	199 Å²	199	153.5 Å²	153.5	93%	0.93	80%	0.8	S	S	*	*			trans	-84.7	93	175.4	176.9	-178.3	163	0	0	106.4
76	E	39.4	Very low	46.7	Very low	158 Å²	158	150.3 Å²	150.3	74%	0.738	79%	0.789	S	S	*	*			trans	-107.6	106.7	174.6	-160.9	177.1	166.7	0	0	110	E74 I78	E74-E76 PolarHBondContact O-N 3.46Å; E76-I78 PolarHBondContact O-N 3.06Å
77	N	53	Low	46.8	Very low	133 Å²	133	146.3 Å²	146.3	71%	0.711	79%	0.785	S	S	*	*			trans	-69.1	110.9	173.4	-177	-70.9	0	0	0	109.6	S79	N77-S79 PolarHBondContact OD1-OG 2.82Å; N77-S79 VanDerWaalsContact OD1-OG 3.12Å
78	I	41	Very low	46.3	Very low	159 Å²	159	152.3 Å²	152.3	82%	0.815	79%	0.786	S	S	*	*			trans	-110.9	100.3	166.9	23.3	169.5	0	0	0	108.9	E76	E76-I78 PolarHBondContact O-N 3.06Å
79	S	50.5	Low	46.2	Very low	88 Å²	88	151 Å²	151	62%	0.615	79%	0.789	S	S	*	*			trans	-108.9	137.6	168.9	-58.9	0	0	0	0	110.4	N77	N77-S79 PolarHBondContact OD1-OG 2.82Å; N77-S79 VanDerWaalsContact OD1-OG 3.12Å
80	V	44.4	Very low	46.6	Very low	143 Å²	143	150.8 Å²	150.8	87%	0.867	79%	0.788	S	S	*	*			trans	76.9	98	161	-169.9	0	0	0	0	117.5
81	A	35.8	Very low	46.9	Very low	86 Å²	86	153.2 Å²	153.2	71%	0.711	80%	0.797	S	S	*	*				-150.5	110.3	121.8	0	0	0	0	0	108.9	H83	A81-H83 PolarHBondContact O-N 2.82Å
82	A	53.2	Low	46.8	Very low	104 Å²	104	154.7 Å²	154.7	86%	0.86	79%	0.791	S	S	*	*			trans	-66.7	96.4	172.1	0	0	0	0	0	109.5
83	H	39.8	Very low	47.2	Very low	177 Å²	177	149.1 Å²	149.1	82%	0.819	78%	0.781	S	S	*	*			trans	-105.1	91.4	164	-110.8	-82.8	0	0	0	109.1	A81	A81-H83 PolarHBondContact O-N 2.82Å
84	H	45.2	Very low	47.3	Very low	129 Å²	129	149.9 Å²	149.9	60%	0.597	78%	0.779	S	S	*	*			trans	2.2	104.8	149	-171.3	-101.4	0	0	0	116.9	E86	H84-E86 VanDerWaalsContact C-N 3.34Å; H84-E86 VanDerWaalsContact CE1-CB 3.47Å; H84-E86 WeakPolarHBondContact CE1-CB 3.34Å; H84-E86 WeakPolarHBondContact CE1-CG 3.3Å; H84-E86 IonicContact CE1-OE1 3.3Å; H84-E86 PolarHBondContact CE1-OE1 2.88Å; H84-E86 VanDerWaalsContact CE1-OE1 3.31Å; H84-E86 IonicContact CE1-OE2 3.31Å; H84-E86 PolarHBondContact CE1-OE2 3.34Å; H84-E86 VanDerWaalsContact CE1-OE2 3.3Å; H84-E86 IonicContact NE2-OE1 3.43Å; H84-E86 PolarHBondContact NE2-OE1 3.06Å; H84-E86 PolarHBondContact O-N 2.8Å; H84-E86 VanDerWaalsContact O-N 3.11Å
85	P	51.3	Low	47.9	Very low	133 Å²	133	146.2 Å²	146.2	86%	0.864	77%	0.765	S	S	*	*			trans	-86.5	72.4	175.6	35	-33.4	0	0	0	110.6
86	E	48.8	Very low	48.2	Very low	143 Å²	143	143 Å²	143	67%	0.668	75%	0.753	S	S	*	*			trans	-84.3	132.6	165.5	-93.7	-174.2	-172	0	0	111.9	H84	H84-E86 VanDerWaalsContact C-N 3.34Å; H84-E86 VanDerWaalsContact CE1-CB 3.47Å; H84-E86 WeakPolarHBondContact CE1-CB 3.34Å; H84-E86 WeakPolarHBondContact CE1-CG 3.3Å; H84-E86 IonicContact CE1-OE1 3.3Å; H84-E86 PolarHBondContact CE1-OE1 2.88Å; H84-E86 VanDerWaalsContact CE1-OE1 3.31Å; H84-E86 IonicContact CE1-OE2 3.31Å; H84-E86 PolarHBondContact CE1-OE2 3.34Å; H84-E86 VanDerWaalsContact CE1-OE2 3.3Å; H84-E86 IonicContact NE2-OE1 3.43Å; H84-E86 PolarHBondContact NE2-OE1 3.06Å; H84-E86 PolarHBondContact O-N 2.8Å; H84-E86 VanDerWaalsContact O-N 3.11Å
87	S	52.3	Low	49.3	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	75%	0.752	S	S	*	*			trans	95.5	17.9	158.2	81.6	0	0	0	0	121.8	Q89	S87-Q89 VanDerWaalsContact C-N 3.27Å; S87-Q89 PolarHBondContact O-N 3.39Å
88	R	42.5	Very low	50	Low	228 Å²	228	143.9 Å²	143.9	86%	0.86	75%	0.749	S	S	*	*			trans	-86.4	28.5	167.5	-66.4	-157.3	-177.8	-148.8	3	115.5
89	Q	53.1	Low	51.2	Low	191 Å²	191	140.1 Å²	140.1	89%	0.893	74%	0.735	S	S	*	*			trans	-88.3	5.4	-179.2	-71.9	-164.5	22.2	0	0	115.7	S87	S87-Q89 VanDerWaalsContact C-N 3.27Å; S87-Q89 PolarHBondContact O-N 3.39Å
90	K	48.9	Very low	52.2	Low	197 Å²	197	142 Å²	142	86%	0.857	74%	0.735	S	S	*	*	S	Bend	trans	-100.1	5.3	-170.2	-102	-177.9	-177.6	178.4	0	118.9
91	L	51.9	Low	53.6	Low	148 Å²	148	137.1 Å²	137.1	78%	0.775	71%	0.712	S	S	*	*	S	Bend	trans	-133	-8	-178.6	-67.4	171.6	0	0	0	117.1	G93	L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 3.29Å
92	F	47.2	Very low	55.6	Low	157 Å²	157	135.6 Å²	135.6	69%	0.689	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	0.8	-175.9	-71.7	-76.1	0	0	0	115.9
93	G	48.5	Very low	56.8	Low	60 Å²	60	135.6 Å²	135.6	62%	0.619	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-18.1	-173.3	0	0	0	0	0	115.8	L91	L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 3.29Å
94	R	52.6	Low	58.8	Low	224 Å²	224	132.1 Å²	132.1	85%	0.845	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-29.9	-174.6	-61	-177.2	-172.4	173.1	2.6	112.7
95	D	54	Low	60.5	Low	101 Å²	101	131.8 Å²	131.8	54%	0.54	67%	0.668	S	S	.	*	H	α-helix	trans	-82.7	-26.3	-178.1	-63.8	-38.5	0	0	0	113.4	K97 F98 C99	D95-K97 PolarHBondContact O-N 3.09Å; D95-F98 PolarHBondContact O-N 2.87Å; D95-C99 WeakPolarHBondContact O-CB 3.34Å; D95-C99 PolarHBondContact O-N 3.46Å; D95-C99 PolarHBondContact O-SG 3.49Å; D95-C99 VanDerWaalsContact O-SG 3.41Å
96	L	58.6	Low	61.8	Low	131 Å²	131	131.9 Å²	131.9	69%	0.686	65%	0.654	S	S	*	*	H	α-helix	trans	-67.8	-36.8	-178.2	-144.7	75.2	0	0	0	112.3	Q100	L96-Q100 WeakPolarHBondContact O-CB 3.27Å; L96-Q100 PolarHBondContact O-N 2.88Å
97	K	63.5	Low	63.3	Low	164 Å²	164	129.8 Å²	129.8	71%	0.713	65%	0.647	S	S	*	*	H	α-helix	trans	-71.7	-36.7	176.2	-63.8	-177.2	-177.6	178.4	0	111.8	D95 G101	D95-K97 PolarHBondContact O-N 3.09Å; K97-G101 PolarHBondContact O-N 3.42Å
98	F	66.9	Low	64.3	Low	147 Å²	147	127.4 Å²	127.4	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-66.7	-46.1	174.5	-173	-100.3	0	0	0	111.1	D95 Q100 G101 V102	D95-F98 PolarHBondContact O-N 2.87Å; F98-Q100 PolarHBondContact O-N 3.47Å; F98-G101 PolarHBondContact O-N 2.86Å; F98-V102 HydrophobicContact CD1-CG2 4.19Å; F98-V102 HydrophobicContact CE1-CG2 3.89Å; F98-V102 HydrophobicContact CZ-CG2 4.07Å; F98-V102 VanDerWaalsContact O-CG2 3.31Å; F98-V102 WeakPolarHBondContact O-CG2 3.38Å; F98-V102 PolarHBondContact O-N 2.81Å
99	C	65.6	Low	65.8	Low	79 Å²	79	121.1 Å²	121.1	53%	0.534	61%	0.613	S	S	.	*	H	α-helix	trans	-60.1	-41.9	175	-79.1	0	0	0	0	112.7	D95 V102 L103	D95-C99 WeakPolarHBondContact O-CB 3.34Å; D95-C99 PolarHBondContact O-N 3.46Å; D95-C99 PolarHBondContact O-SG 3.49Å; D95-C99 VanDerWaalsContact O-SG 3.41Å; C99-V102 PolarHBondContact O-N 3.44Å; C99-L103 WeakPolarHBondContact O-CB 3.33Å; C99-L103 PolarHBondContact O-N 3.31Å
100	Q	72.3	Confident	66.5	Low	129 Å²	129	115.9 Å²	115.9	60%	0.603	60%	0.597	S	S	*	*	H	α-helix	trans	-66.1	-42.1	176.7	-164.2	175.6	36.4	0	0	111.7	L96 F98 L103 I104	L96-Q100 WeakPolarHBondContact O-CB 3.27Å; L96-Q100 PolarHBondContact O-N 2.88Å; F98-Q100 PolarHBondContact O-N 3.47Å; Q100-L103 PolarHBondContact O-N 3.1Å; Q100-I104 HydrophobicContact CG-CD1 4.01Å; Q100-I104 VanDerWaalsContact O-CG1 3.26Å; Q100-I104 WeakPolarHBondContact O-CG1 3.06Å; Q100-I104 PolarHBondContact O-N 3.34Å
101	G	74.4	Confident	67.4	Low	39 Å²	39	111.1 Å²	111.1	40%	0.402	58%	0.581	S	S	.	*	H	α-helix	trans	-62.4	-42.6	176.1	0	0	0	0	0	113.2	K97 F98 I104 L105	K97-G101 PolarHBondContact O-N 3.42Å; F98-G101 PolarHBondContact O-N 2.86Å; G101-I104 PolarHBondContact O-N 3.2Å; G101-L105 WeakPolarHBondContact O-CB 3.27Å; G101-L105 PolarHBondContact O-N 2.96Å
102	V	77.1	Confident	68	Low	54 Å²	54	107.5 Å²	107.5	33%	0.327	57%	0.565	S	S	.	*	H	α-helix	trans	-66.2	-37.8	176.8	173.5	0	0	0	0	111.5	F98 C99 K106	F98-V102 HydrophobicContact CD1-CG2 4.19Å; F98-V102 HydrophobicContact CE1-CG2 3.89Å; F98-V102 HydrophobicContact CZ-CG2 4.07Å; F98-V102 VanDerWaalsContact O-CG2 3.31Å; F98-V102 WeakPolarHBondContact O-CG2 3.38Å; F98-V102 PolarHBondContact O-N 2.81Å; C99-V102 PolarHBondContact O-N 3.44Å; V102-K106 HydrophobicContact CG1-CD 4.23Å; V102-K106 WeakPolarHBondContact O-CB 3.44Å; V102-K106 WeakPolarHBondContact O-CG 3.23Å; V102-K106 PolarHBondContact O-N 3.43Å
103	L	78.8	Confident	68.5	Low	105 Å²	105	105.7 Å²	105.7	55%	0.55	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-44.4	176.3	-175.5	62.5	0	0	0	111.6	C99 Q100 L105 K106 I107	C99-L103 WeakPolarHBondContact O-CB 3.33Å; C99-L103 PolarHBondContact O-N 3.31Å; Q100-L103 PolarHBondContact O-N 3.1Å; L103-L105 PolarHBondContact O-N 3.18Å; L103-K106 PolarHBondContact O-N 3.24Å; L103-I107 HydrophobicContact CD1-CD1 4.25Å; L103-I107 HydrophobicContact CG-CD1 3.96Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.37Å; L103-I107 PolarHBondContact O-N 3.42Å
104	I	82.4	Confident	68.7	Low	103 Å²	103	112.3 Å²	112.3	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-42.4	177.1	-68.4	165.2	0	0	0	110.8	Q100 G101 K106 I107 S108	Q100-I104 HydrophobicContact CG-CD1 4.01Å; Q100-I104 VanDerWaalsContact O-CG1 3.26Å; Q100-I104 WeakPolarHBondContact O-CG1 3.06Å; Q100-I104 PolarHBondContact O-N 3.34Å; G101-I104 PolarHBondContact O-N 3.2Å; I104-K106 PolarHBondContact O-N 3.12Å; I104-I107 PolarHBondContact O-N 3.18Å; I104-S108 WeakPolarHBondContact O-CB 3.12Å; I104-S108 PolarHBondContact O-N 2.95Å
105	L	80.4	Confident	68.4	Low	122 Å²	122	108.5 Å²	108.5	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-64.5	-40.3	177.8	-171.1	65.6	0	0	0	111.6	G101 L103 S108 L109	G101-L105 WeakPolarHBondContact O-CB 3.27Å; G101-L105 PolarHBondContact O-N 2.96Å; L103-L105 PolarHBondContact O-N 3.18Å; L105-S108 PolarHBondContact O-N 3.49Å; L105-L109 VanDerWaalsContact O-CB 3.23Å; L105-L109 WeakPolarHBondContact O-CB 3.5Å; L105-L109 PolarHBondContact O-N 3.32Å
106	K	78.4	Confident	68.1	Low	135 Å²	135	113.9 Å²	113.9	59%	0.587	57%	0.571	S	S	*	*	H	α-helix	trans	-64	-44.2	174.5	-79.2	174.4	175.6	173.5	0	112.2	V102 L103 I104 L109 C110	V102-K106 HydrophobicContact CG1-CD 4.23Å; V102-K106 WeakPolarHBondContact O-CB 3.44Å; V102-K106 WeakPolarHBondContact O-CG 3.23Å; V102-K106 PolarHBondContact O-N 3.43Å; L103-K106 PolarHBondContact O-N 3.24Å; I104-K106 PolarHBondContact O-N 3.12Å; K106-L109 PolarHBondContact O-N 3.2Å; K106-C110 WeakPolarHBondContact O-CB 3.44Å; K106-C110 PolarHBondContact O-N 3.01Å; K106-C110 PolarHBondContact O-SG 2.94Å
107	I	79.4	Confident	67.3	Low	99 Å²	99	115.5 Å²	115.5	51%	0.508	57%	0.572	S	S	.	*	H	α-helix	trans	-63.6	-44.2	177.4	-67.6	164.1	0	0	0	110.6	L103 I104 C110 N111	L103-I107 HydrophobicContact CD1-CD1 4.25Å; L103-I107 HydrophobicContact CG-CD1 3.96Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.37Å; L103-I107 PolarHBondContact O-N 3.42Å; I104-I107 PolarHBondContact O-N 3.18Å; I107-C110 PolarHBondContact O-N 2.94Å; I107-N111 WeakPolarHBondContact O-CB 3.26Å; I107-N111 PolarHBondContact O-N 3.34Å
108	S	73.4	Confident	66.1	Low	62 Å²	62	112.5 Å²	112.5	43%	0.434	57%	0.571	S	S	.	*	H	α-helix	trans	-63.8	-44.8	177.3	-175.8	0	0	0	0	111.7	I104 L105 C110 N111 V112	I104-S108 WeakPolarHBondContact O-CB 3.12Å; I104-S108 PolarHBondContact O-N 2.95Å; L105-S108 PolarHBondContact O-N 3.49Å; S108-C110 PolarHBondContact O-N 3.5Å; S108-N111 PolarHBondContact O-N 3.5Å; S108-N111 VanDerWaalsContact O-N 3.09Å; S108-V112 WeakPolarHBondContact O-CG2 3.35Å; S108-V112 PolarHBondContact O-N 3.41Å
109	L	74.6	Confident	64.9	Low	97 Å²	97	108.6 Å²	108.6	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-40.1	176.9	-168.5	69.1	0	0	0	111.7	L105 K106 N111 V112 Q113	L105-L109 VanDerWaalsContact O-CB 3.23Å; L105-L109 WeakPolarHBondContact O-CB 3.5Å; L105-L109 PolarHBondContact O-N 3.32Å; K106-L109 PolarHBondContact O-N 3.2Å; L109-N111 VanDerWaalsContact C-N 3.32Å; L109-N111 PolarHBondContact O-N 3.43Å; L109-V112 PolarHBondContact O-N 3.13Å; L109-Q113 WeakPolarHBondContact O-CB 3.38Å; L109-Q113 VanDerWaalsContact O-CG 3.27Å; L109-Q113 WeakPolarHBondContact O-CG 3.42Å; L109-Q113 PolarHBondContact O-N 3.21Å
110	C	68.6	Low	64.2	Low	81 Å²	81	115 Å²	115	55%	0.547	58%	0.579	S	S	.	*	H	α-helix	trans	-62.2	-39	171.5	-76.2	0	0	0	0	111.8	K106 I107 S108 R114	K106-C110 WeakPolarHBondContact O-CB 3.44Å; K106-C110 PolarHBondContact O-N 3.01Å; K106-C110 PolarHBondContact O-SG 2.94Å; I107-C110 PolarHBondContact O-N 2.94Å; S108-C110 PolarHBondContact O-N 3.5Å; C110-R114 WeakPolarHBondContact O-CB 3.32Å; C110-R114 PolarHBondContact O-N 3.01Å
111	N	65.9	Low	62.9	Low	97 Å²	97	114.1 Å²	114.1	52%	0.519	58%	0.578	S	S	.	*	H	α-helix	trans	-70.1	-41.2	179.3	-152.5	-9.6	0	0	0	111.5	I107 S108 L109 R114 M115	I107-N111 WeakPolarHBondContact O-CB 3.26Å; I107-N111 PolarHBondContact O-N 3.34Å; S108-N111 PolarHBondContact O-N 3.5Å; S108-N111 VanDerWaalsContact O-N 3.09Å; L109-N111 VanDerWaalsContact C-N 3.32Å; L109-N111 PolarHBondContact O-N 3.43Å; N111-R114 PolarHBondContact O-N 3.26Å; N111-M115 VanDerWaalsContact O-CG 3.28Å; N111-M115 WeakPolarHBondContact O-CG 3.42Å; N111-M115 PolarHBondContact O-N 3.46Å
112	V	65.1	Low	61.5	Low	72 Å²	72	117 Å²	117	44%	0.436	59%	0.589	S	S	.	*	H	α-helix	trans	-66.7	-40.4	174.9	173.9	0	0	0	0	111.7	S108 L109 M115 R116	S108-V112 WeakPolarHBondContact O-CG2 3.35Å; S108-V112 PolarHBondContact O-N 3.41Å; L109-V112 PolarHBondContact O-N 3.13Å; V112-M115 PolarHBondContact O-N 2.94Å; V112-R116 PolarHBondContact O-N 3.39Å; V112-R116 VanDerWaalsContact O-N 3.16Å
113	Q	57	Low	59.9	Low	118 Å²	118	122.1 Å²	122.1	55%	0.551	62%	0.615	S	S	*	*	H	α-helix	trans	-68.1	-35.6	174.6	-73.7	177.6	8.3	0	0	112	L109 M115 R116 F117	L109-Q113 WeakPolarHBondContact O-CB 3.38Å; L109-Q113 VanDerWaalsContact O-CG 3.27Å; L109-Q113 WeakPolarHBondContact O-CG 3.42Å; L109-Q113 PolarHBondContact O-N 3.21Å; Q113-M115 VanDerWaalsContact C-N 3.33Å; Q113-M115 PolarHBondContact O-N 3.14Å; Q113-R116 CarbonylContact O-C 3.6Å; Q113-R116 PolarHBondContact O-N 3.39Å; Q113-R116 VanDerWaalsContact O-N 3.15Å; Q113-F117 PolarHBondContact O-N 2.96Å
114	R	54.2	Low	58.2	Low	199 Å²	199	124.1 Å²	124.1	75%	0.751	63%	0.625	S	S	*	*	H	α-helix	trans	-69.5	-28.3	175.3	-160.4	174.8	-166.2	176.3	3.4	112.9	C110 N111 F117	C110-R114 WeakPolarHBondContact O-CB 3.32Å; C110-R114 PolarHBondContact O-N 3.01Å; N111-R114 PolarHBondContact O-N 3.26Å; R114-F117 CarbonylContact O-C 3.55Å
115	M	45.9	Very low	56.6	Low	144 Å²	144	130.2 Å²	130.2	71%	0.709	64%	0.642	S	S	*	*	H	α-helix	trans	-78.4	-18.4	170.9	-69.7	-67.6	-71.5	0	0	113.4	N111 V112 Q113	N111-M115 VanDerWaalsContact O-CG 3.28Å; N111-M115 WeakPolarHBondContact O-CG 3.42Å; N111-M115 PolarHBondContact O-N 3.46Å; V112-M115 PolarHBondContact O-N 2.94Å; Q113-M115 VanDerWaalsContact C-N 3.33Å; Q113-M115 PolarHBondContact O-N 3.14Å
116	R	48.2	Very low	55.1	Low	215 Å²	215	131.2 Å²	131.2	81%	0.811	65%	0.647	S	S	*	*	H	α-helix	trans	-94.1	-15.6	173	-69.3	-159.9	-176.4	-172	2.6	113.9	V112 Q113	V112-R116 PolarHBondContact O-N 3.39Å; V112-R116 VanDerWaalsContact O-N 3.16Å; Q113-R116 CarbonylContact O-C 3.6Å; Q113-R116 PolarHBondContact O-N 3.39Å; Q113-R116 VanDerWaalsContact O-N 3.15Å
117	F	41.7	Very low	53.7	Low	164 Å²	164	131.4 Å²	131.4	72%	0.719	65%	0.653	S	S	*	*			trans	-111	69.4	170.9	-133.7	-99.5	0	0	0	108.9	Q113 R114 P119	Q113-F117 PolarHBondContact O-N 2.96Å; R114-F117 CarbonylContact O-C 3.55Å; F117-P119 HydrophobicContact CD1-CG 3.79Å; F117-P119 HydrophobicContact CE1-CB 4.48Å; F117-P119 HydrophobicContact CE1-CG 3.98Å; F117-P119 WeakPolarHBondContact O-CD 3.31Å
118	C	38.4	Very low	52.3	Low	101 Å²	101	136.4 Å²	136.4	68%	0.682	67%	0.665	S	S	*	*			trans	-92.9	77.2	154.3	-70	0	0	0	0	107.7	K120	C118-K120 PolarHBondContact O-N 3.42Å
119	P	40.5	Very low	50.9	Low	66 Å²	66	142 Å²	142	43%	0.429	68%	0.682	S	S	.	*			trans	-65.3	122.2	158.2	31.5	-28.7	0	0	0	104.4	F117 I121	F117-P119 HydrophobicContact CD1-CG 3.79Å; F117-P119 HydrophobicContact CE1-CB 4.48Å; F117-P119 HydrophobicContact CE1-CG 3.98Å; F117-P119 WeakPolarHBondContact O-CD 3.31Å; P119-I121 HydrophobicContact CB-CD1 4.49Å; P119-I121 HydrophobicContact CB-CG1 4.16Å; P119-I121 HydrophobicContact CG-CD1 3.98Å; P119-I121 HydrophobicContact CG-CG1 4.1Å; P119-I121 PolarHBondContact O-N 3.33Å
120	K	51.3	Low	49.7	Very low	212 Å²	212	143.2 Å²	143.2	92%	0.922	69%	0.694	S	S	*	*			trans	-60.9	86.1	171.3	-164.4	145.2	179	168.2	0	107.3	C118 P122	C118-K120 PolarHBondContact O-N 3.42Å; K120-P122 WeakPolarHBondContact O-CD 3.09Å
121	I	45.6	Very low	48.7	Very low	112 Å²	112	145.1 Å²	145.1	57%	0.574	70%	0.702	S	S	*	*			trans	-95.9	109.9	174.4	-59.5	174.5	0	0	0	106.3	P119 L124	P119-I121 HydrophobicContact CB-CD1 4.49Å; P119-I121 HydrophobicContact CB-CG1 4.16Å; P119-I121 HydrophobicContact CG-CD1 3.98Å; P119-I121 HydrophobicContact CG-CG1 4.1Å; P119-I121 PolarHBondContact O-N 3.33Å; I121-L124 HydrophobicContact CG2-CD1 4.08Å
122	P	45.3	Very low	47.9	Very low	98 Å²	98	148.1 Å²	148.1	64%	0.636	72%	0.718	S	S	*	*			trans	-70.8	135.9	171.9	31.5	-29.9	0	0	0	107.8	K120 L124	K120-P122 WeakPolarHBondContact O-CD 3.09Å; P122-L124 PolarHBondContact O-N 3.03Å
123	N	44	Very low	47.3	Very low	163 Å²	163	152.2 Å²	152.2	87%	0.872	74%	0.737	S	S	*	*			trans	48.2	69.6	158.5	-67.9	-63.2	0	0	0	116.3
124	L	42.3	Very low	46.5	Very low	147 Å²	147	152.6 Å²	152.6	77%	0.77	74%	0.743	S	S	*	*			trans	-110.5	108.5	155.1	-110.6	84.3	0	0	0	109.4	I121 P122 L126	I121-L124 HydrophobicContact CG2-CD1 4.08Å; P122-L124 PolarHBondContact O-N 3.03Å; L124-L126 PolarHBondContact O-N 3.5Å; L124-L126 VanDerWaalsContact O-N 3.14Å
125	R	49.1	Very low	46.3	Very low	231 Å²	231	148.5 Å²	148.5	87%	0.872	74%	0.742	S	S	*	*			trans	-37	120.5	163.9	-76.3	174.5	169.5	152.6	-3.8	108.8	I127	R125-I127 PolarHBondContact O-N 2.93Å
126	L	48.7	Very low	46.3	Very low	143 Å²	143	145.5 Å²	145.5	75%	0.749	74%	0.74	S	S	*	*			trans	-62.3	82.9	173.3	-173.6	75	0	0	0	108.4	L124 R128	L124-L126 PolarHBondContact O-N 3.5Å; L124-L126 VanDerWaalsContact O-N 3.14Å; L126-R128 HydrophobicContact CD2-CG 4.05Å; L126-R128 HydrophobicContact CG-CG 4.1Å; L126-R128 PolarHBondContact O-N 3.25Å
127	I	48.3	Very low	46.3	Very low	139 Å²	139	142.6 Å²	142.6	71%	0.713	74%	0.74	S	S	*	*			trans	-71.9	89.4	166	-57.2	177	0	0	0	104.8	R125 K129	R125-I127 PolarHBondContact O-N 2.93Å; I127-K129 HydrophobicContact CG2-CG 4.18Å; I127-K129 PolarHBondContact O-N 3.43Å
128	R	51.1	Low	46.8	Very low	204 Å²	204	144.2 Å²	144.2	77%	0.77	75%	0.746	S	S	*	*			trans	-57.1	91.9	160	-68	180	177.9	173.7	0	105.8	L126 T130	L126-R128 HydrophobicContact CD2-CG 4.05Å; L126-R128 HydrophobicContact CG-CG 4.1Å; L126-R128 PolarHBondContact O-N 3.25Å; R128-T130 PolarHBondContact O-N 2.99Å
129	K	43.8	Very low	46.9	Very low	180 Å²	180	148 Å²	148	78%	0.783	75%	0.752	S	S	*	*			trans	-67	93.2	159.6	-75.5	-176	176.9	178	0	105.1	I127 V131	I127-K129 HydrophobicContact CG2-CG 4.18Å; I127-K129 PolarHBondContact O-N 3.43Å; K129-V131 PolarHBondContact O-N 2.85Å
130	T	48.1	Very low	47.1	Very low	122 Å²	122	149 Å²	149	75%	0.748	76%	0.76	S	S	*	*			trans	-57.8	86	160.5	40.5	0	0	0	0	106.6	R128 N132	R128-T130 PolarHBondContact O-N 2.99Å; T130-N132 PolarHBondContact O-N 2.97Å
131	V	47.3	Very low	47	Very low	121 Å²	121	150.5 Å²	150.5	73%	0.733	76%	0.76	S	S	*	*			trans	-63.4	114.5	158.3	-156.2	0	0	0	0	103.7	K129 L133	K129-V131 PolarHBondContact O-N 2.85Å; V131-L133 VanDerWaalsContact C-N 3.31Å; V131-L133 PolarHBondContact O-N 3.32Å
132	N	49	Very low	46.9	Very low	160 Å²	160	155.9 Å²	155.9	86%	0.856	77%	0.773	S	S	*	*			trans	-51.4	97.4	175.3	-99.3	-67.8	0	0	0	108.3	T130	T130-N132 PolarHBondContact O-N 2.97Å
133	L	52.6	Low	47.2	Very low	158 Å²	158	158.3 Å²	158.3	83%	0.827	78%	0.78	S	S	*	*			trans	-88.9	112.1	162.4	-75.7	165.8	0	0	0	105	V131	V131-L133 VanDerWaalsContact C-N 3.31Å; V131-L133 PolarHBondContact O-N 3.32Å
134	D	41.1	Very low	47.2	Very low	125 Å²	125	156 Å²	156	67%	0.668	77%	0.774	S	S	*	*			trans	-23.3	124.9	168.6	-162.1	-19.2	0	0	0	113.1	A136	D134-A136 PolarHBondContact O-N 3.44Å
135	P	49.6	Very low	47.8	Very low	114 Å²	114	156.2 Å²	156.2	74%	0.74	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	2.5	-174.9	24.8	-33.3	0	0	0	115.4	L137	P135-L137 PolarHBondContact O-N 3.41Å
136	A	46.4	Very low	47.7	Very low	81 Å²	81	150.4 Å²	150.4	67%	0.669	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-13.6	-175.7	0	0	0	0	0	115.5	D134 K138	D134-A136 PolarHBondContact O-N 3.44Å; A136-K138 PolarHBondContact O-N 3.46Å
137	L	48.3	Very low	47.7	Very low	154 Å²	154	150.6 Å²	150.6	81%	0.806	77%	0.766	S	S	*	*			trans	-100.4	63.6	177	-74.1	170.3	0	0	0	112.2	P135 F139	P135-L137 PolarHBondContact O-N 3.41Å; L137-F139 PolarHBondContact O-N 3.4Å
138	K	52	Low	47.7	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.857	77%	0.768	S	S	*	*			trans	-73	61.8	156.1	-73.9	179.2	-178.7	173.6	0	109.6	A136 S140	A136-K138 PolarHBondContact O-N 3.46Å; K138-S140 PolarHBondContact O-N 3.3Å; K138-S140 VanDerWaalsContact O-N 3.14Å
139	F	39.9	Very low	47.4	Very low	182 Å²	182	147.7 Å²	147.7	80%	0.798	77%	0.766	S	S	*	*			trans	-86.8	85.2	171.5	-142.5	-93.8	0	0	0	109.6	L137 R141	L137-F139 PolarHBondContact O-N 3.4Å; F139-R141 PolarHBondContact O-N 3.12Å
140	S	44.5	Very low	47.6	Very low	86 Å²	86	145.3 Å²	145.3	60%	0.601	77%	0.766	S	S	*	*			trans	38	79.1	142.3	-145.3	0	0	0	0	116.7	K138 R142	K138-S140 PolarHBondContact O-N 3.3Å; K138-S140 VanDerWaalsContact O-N 3.14Å; S140-R142 PolarHBondContact O-N 3.27Å
141	R	49.7	Very low	47.4	Very low	244 Å²	244	145.2 Å²	145.2	92%	0.921	77%	0.771	S	S	*	*			trans	-75.5	74.1	156.4	-70.5	-172.2	-179	-171.6	1.1	109.3	F139	F139-R141 PolarHBondContact O-N 3.12Å
142	R	44.8	Very low	47.3	Very low	225 Å²	225	146.3 Å²	146.3	85%	0.849	77%	0.772	S	S	*	*			trans	-95	88	156.3	-88	-171.4	175.4	-175.4	-0.4	107.7	S140 P144	S140-R142 PolarHBondContact O-N 3.27Å; R142-P144 WeakPolarHBondContact O-CD 3.47Å
143	L	50.4	Low	47.3	Very low	148 Å²	148	144.6 Å²	144.6	78%	0.775	77%	0.77	S	S	*	*			trans	-74.1	122.5	160.7	-67	169.7	0	0	0	107	I145	L143-I145 PolarHBondContact O-N 3.01Å; L143-I145 VanDerWaalsContact O-N 3.13Å
144	P	44	Very low	47.2	Very low	116 Å²	116	148.2 Å²	148.2	75%	0.753	77%	0.773	S	S	*	*			trans	-72.4	103.2	158.7	28.5	-27.9	0	0	0	107.4	R142 V146	R142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-V146 HydrophobicContact CB-CG2 4.31Å; P144-V146 PolarHBondContact O-N 3.11Å
145	I	54.9	Low	47.7	Very low	151 Å²	151	147.1 Å²	147.1	77%	0.774	78%	0.781	S	S	*	*			trans	-68.9	103.7	155	-61.6	171.5	0	0	0	105	L143	L143-I145 PolarHBondContact O-N 3.01Å; L143-I145 VanDerWaalsContact O-N 3.13Å
146	V	47.4	Very low	47.4	Very low	108 Å²	108	147.5 Å²	147.5	66%	0.655	79%	0.787	S	S	*	*			trans	-125.3	91.2	161.6	-172.5	0	0	0	0	106.8	P144 L148	P144-V146 HydrophobicContact CB-CG2 4.31Å; P144-V146 PolarHBondContact O-N 3.11Å; V146-L148 HydrophobicContact CG1-CD1 3.6Å
147	N	48.1	Very low	47.5	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	79%	0.794	S	S	*	*			trans	-69.5	116.8	152.6	-85.8	-12.9	0	0	0	107.2
148	L	47.9	Very low	47.3	Very low	143 Å²	143	152.2 Å²	152.2	75%	0.749	79%	0.794	S	S	*	*			trans	-143.6	99.5	153.2	-97.6	115.1	0	0	0	109.2	V146	V146-L148 HydrophobicContact CG1-CD1 3.6Å
149	L	44.9	Very low	47	Very low	139 Å²	139	157.9 Å²	157.9	73%	0.728	81%	0.81	S	S	*	*			trans	41.9	108.4	139.3	-79	75.8	0	0	0	117.9	S151	L149-S151 PolarHBondContact O-N 3.31Å
150	T	48.7	Very low	47.3	Very low	130 Å²	130	156.7 Å²	156.7	80%	0.798	81%	0.81	S	S	*	*				23.8	85.6	121.6	53.8	0	0	0	0	116	D152	T150-D152 PolarHBondContact O-N 3.43Å
151	S	42.8	Very low	47.5	Very low	120 Å²	120	160.4 Å²	160.4	84%	0.839	82%	0.821	S	S	*	*			trans	-88.5	88.2	157	32.6	0	0	0	0	108.7	L149	L149-S151 PolarHBondContact O-N 3.31Å
152	D	45.4	Very low	47.3	Very low	144 Å²	144	155.8 Å²	155.8	77%	0.77	82%	0.816	S	S	*	*			trans	-71.9	121	170.7	-136.3	-23	0	0	0	109.1	T150 R154	T150-D152 PolarHBondContact O-N 3.43Å; D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 PolarHBondContact O-N 3.3Å
153	P	50.1	Low	47.5	Very low	125 Å²	125	151.7 Å²	151.7	81%	0.812	81%	0.814	S	S	*	*	S	Bend	trans	-93.3	47.7	-171.8	37.6	-34.7	0	0	0	111.9
154	R	49.8	Very low	47.3	Very low	234 Å²	234	151.9 Å²	151.9	88%	0.883	82%	0.816	S	S	*	*			trans	-156.2	57.7	-173.2	-136.4	178.7	-171.1	-156.6	1.5	116.2	D152	D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 PolarHBondContact O-N 3.3Å
155	A	52	Low	47.5	Very low	101 Å²	101	154.3 Å²	154.3	84%	0.835	82%	0.82	S	S	*	*			trans	-156.5	83.9	160.9	0	0	0	0	0	111.8
156	S	44.1	Very low	47	Very low	123 Å²	123	154.6 Å²	154.6	86%	0.86	82%	0.824	S	S	*	*			trans	-157.3	77.8	150.1	-164.3	0	0	0	0	109.2
157	I	47.9	Very low	47	Very low	159 Å²	159	158.2 Å²	158.2	82%	0.815	84%	0.837	S	S	*	*			trans	-114.6	137.9	155.6	-64.5	175.2	0	0	0	104.3
158	H	44.1	Very low	46.9	Very low	175 Å²	175	159.1 Å²	159.1	81%	0.81	84%	0.841	S	S	*	*			trans	77.1	100.2	177.5	-95.2	-80.3	0	0	0	117.7
159	R	44.8	Very low	46.8	Very low	316 Å²	316	160.5 Å²	160.5	100%	1.192	85%	0.849	S	S	*	*				-172.6	0	97.7	-96.8	-179.6	-177	-179.5	1.6	111

Retrieved 159 of 159 residues in 143.8 ms (Link to these results)

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