A0A087WT34_HUMAN Loading...

Methyl-CpG binding domain protein 3

AlphaFold DB , UniProt , Accession A0A087WT34, Species HUMAN (Homo sapiens, Human), Gene MBD3, Length 130 aa.

						>A0A087WT34_HUMAN|A0A087WT34|MBD3
MDLSTFDFRTGKMLMSKMNKSRQRVRYDSSNQVKGKPDLNTALPVRQTASIFKQPVTKITNHPSNKVKSDPQKAVDQPRQLFWEKKLSGLNAFDIAEELVKTMDLPKGLQGVGPGCTDETLLSAIASALH
					

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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	59.8	Low	78.2	Confident	222 Å²	222	108.7 Å²	108.7	100%	1.094	56%	0.562	S	S	*	*				0	117.1	0	-160.7	178.4	-167.2	0	0	106.3	L3	M1-L3 HydrophobicContact CG-CD2 4.47Å
2	D	70.4	Confident	78.4	Confident	124 Å²	124	112.1 Å²	112.1	66%	0.663	57%	0.569	S	S	*	*			trans	-84.3	116.4	-176.8	-174.9	-1.9	0	0	0	109.8	S4	D2-S4 WeakPolarHBondContact OD1-CB 3.4Å; D2-S4 PolarHBondContact OD1-N 3.14Å; D2-S4 PolarHBondContact OD1-OG 2.9Å; D2-S4 PolarHBondContact OD2-OG 2.83Å
3	L	78.4	Confident	78.5	Confident	84 Å²	84	110.5 Å²	110.5	44%	0.44	56%	0.561	S	S	.	*			trans	-107	12.1	-177.8	-60.8	177.9	0	0	0	112.2	M1 T5 F6 F8	M1-L3 HydrophobicContact CG-CD2 4.47Å; L3-T5 PolarHBondContact O-N 3.32Å; L3-T5 VanDerWaalsContact O-N 3.07Å; L3-F6 HydrophobicContact CB-CB 4.38Å; L3-F6 WeakPolarHBondContact O-CB 3.16Å; L3-F6 PolarHBondContact O-N 3.3Å; L3-F8 HydrophobicContact CD1-CZ 4.36Å
4	S	78.4	Confident	78.2	Confident	91 Å²	91	109.2 Å²	109.2	64%	0.636	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-19.7	-176.8	59	0	0	0	0	114.7	D2	D2-S4 WeakPolarHBondContact OD1-CB 3.4Å; D2-S4 PolarHBondContact OD1-N 3.14Å; D2-S4 PolarHBondContact OD1-OG 2.9Å; D2-S4 PolarHBondContact OD2-OG 2.83Å
5	T	80.8	Confident	77.2	Confident	44 Å²	44	108.9 Å²	108.9	27%	0.27	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.5	8.3	176.6	59.8	0	0	0	0	113.9	L3 M13 L14	L3-T5 PolarHBondContact O-N 3.32Å; L3-T5 VanDerWaalsContact O-N 3.07Å; T5-M13 WeakPolarHBondContact O-CA 3.3Å; T5-M13 WeakPolarHBondContact OG1-CE 3.33Å; T5-L14 PolarHBondContact O-N 2.94Å
6	F	82.9	Confident	76.1	Confident	66 Å²	66	108.1 Å²	108.1	29%	0.289	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	123.4	178.1	-171.3	-99.4	0	0	0	110.4	L3 F8 M13	L3-F6 HydrophobicContact CB-CB 4.38Å; L3-F6 WeakPolarHBondContact O-CB 3.16Å; L3-F6 PolarHBondContact O-N 3.3Å; F6-F8 AromaticContact CD1-CD1 3.84Å; F6-F8 HydrophobicContact CD1-CD1 3.84Å; F6-F8 HydrophobicContact CD1-CD2 4.16Å; F6-F8 AromaticContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CE2 4.04Å; F6-F8 HydrophobicContact CD1-CG 4.06Å; F6-F8 AromaticContact CD1-CZ 3.82Å; F6-F8 HydrophobicContact CD1-CZ 3.82Å; F6-F8 AromaticContact CE1-CD1 3.82Å; F6-F8 HydrophobicContact CE1-CD1 3.82Å; F6-F8 AromaticContact CE1-CE1 3.95Å; F6-F8 HydrophobicContact CE1-CE1 3.95Å; F6-F8 HydrophobicContact CE1-CG 4.29Å; F6-M13 HydrophobicContact CB-SD 3.8Å; F6-M13 HydrophobicContact CD2-CG 4.16Å; F6-M13 HydrophobicContact CD2-SD 3.73Å; F6-M13 HydrophobicContact CG-SD 4.27Å
7	D	81.9	Confident	74.8	Confident	48 Å²	48	112.1 Å²	112.1	26%	0.257	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.7	110.8	174.6	175.3	12.3	0	0	0	110.3	R9 T10 G11 K12 L14	D7-R9 VanDerWaalsContact C-N 3.28Å; D7-R9 PolarHBondContact O-N 2.85Å; D7-R9 WeakPolarHBondContact OD1-CB 3.47Å; D7-R9 PolarHBondContact OD1-N 2.76Å; D7-T10 VanDerWaalsContact CG-OG1 3.23Å; D7-T10 PolarHBondContact O-N 3.3Å; D7-T10 WeakPolarHBondContact OD2-CB 3.25Å; D7-T10 VanDerWaalsContact OD2-CG2 3.27Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.37Å; D7-T10 PolarHBondContact OD2-OG1 3.17Å; D7-G11 WeakPolarHBondContact O-CA 3.21Å; D7-G11 PolarHBondContact O-N 3.08Å; D7-K12 PolarHBondContact N-O 2.84Å; D7-K12 PolarHBondContact O-N 2.9Å; D7-L14 HydrophobicContact CB-CD1 4.15Å; D7-L14 HydrophobicContact CB-CG 4.4Å
8	F	83.1	Confident	73.6	Confident	154 Å²	154	112.9 Å²	112.9	68%	0.675	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-19.8	-178.9	-67.6	-86.7	0	0	0	113.9	L3 F6	L3-F8 HydrophobicContact CD1-CZ 4.36Å; F6-F8 AromaticContact CD1-CD1 3.84Å; F6-F8 HydrophobicContact CD1-CD1 3.84Å; F6-F8 HydrophobicContact CD1-CD2 4.16Å; F6-F8 AromaticContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CE2 4.04Å; F6-F8 HydrophobicContact CD1-CG 4.06Å; F6-F8 AromaticContact CD1-CZ 3.82Å; F6-F8 HydrophobicContact CD1-CZ 3.82Å; F6-F8 AromaticContact CE1-CD1 3.82Å; F6-F8 HydrophobicContact CE1-CD1 3.82Å; F6-F8 AromaticContact CE1-CE1 3.95Å; F6-F8 HydrophobicContact CE1-CE1 3.95Å; F6-F8 HydrophobicContact CE1-CG 4.29Å
9	R	77.8	Confident	72.6	Confident	236 Å²	236	114.2 Å²	114.2	89%	0.891	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-33.5	177.9	-169.5	173.4	-174.9	-178.2	1.4	111.8	D7	D7-R9 VanDerWaalsContact C-N 3.28Å; D7-R9 PolarHBondContact O-N 2.85Å; D7-R9 WeakPolarHBondContact OD1-CB 3.47Å; D7-R9 PolarHBondContact OD1-N 2.76Å
10	T	82.1	Confident	71.6	Confident	81 Å²	81	118.8 Å²	118.8	50%	0.497	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	-11.7	-177.9	62.3	0	0	0	0	113.7	D7 K12	D7-T10 VanDerWaalsContact CG-OG1 3.23Å; D7-T10 PolarHBondContact O-N 3.3Å; D7-T10 WeakPolarHBondContact OD2-CB 3.25Å; D7-T10 VanDerWaalsContact OD2-CG2 3.27Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.37Å; D7-T10 PolarHBondContact OD2-OG1 3.17Å; T10-K12 VanDerWaalsContact C-N 3.29Å; T10-K12 PolarHBondContact O-N 3.21Å
11	G	85.1	Confident	70.4	Confident	46 Å²	46	118.6 Å²	118.6	47%	0.474	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.6	23	-177.4	0	0	0	0	0	113.6	D7	D7-G11 WeakPolarHBondContact O-CA 3.21Å; D7-G11 PolarHBondContact O-N 3.08Å
12	K	80.8	Confident	69.9	Low	149 Å²	149	120.3 Å²	120.3	65%	0.648	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.4	151.5	-171.7	-66.2	-178.6	-175.2	-178.6	0	112.2	D7 T10	D7-K12 PolarHBondContact N-O 2.84Å; D7-K12 PolarHBondContact O-N 2.9Å; T10-K12 VanDerWaalsContact C-N 3.29Å; T10-K12 PolarHBondContact O-N 3.21Å
13	M	79.6	Confident	68.6	Low	92 Å²	92	123.2 Å²	123.2	45%	0.453	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.7	130.4	172.9	-68	-72.1	-81.1	0	0	110.6	T5 F6 M15	T5-M13 WeakPolarHBondContact O-CA 3.3Å; T5-M13 WeakPolarHBondContact OG1-CE 3.33Å; F6-M13 HydrophobicContact CB-SD 3.8Å; F6-M13 HydrophobicContact CD2-CG 4.16Å; F6-M13 HydrophobicContact CD2-SD 3.73Å; F6-M13 HydrophobicContact CG-SD 4.27Å; M13-M15 HydrophobicContact CB-CE 4.36Å; M13-M15 PolarHBondContact O-N 3.08Å
14	L	74.6	Confident	67.3	Low	92 Å²	92	131 Å²	131	48%	0.482	64%	0.636	S	S	.	*			trans	-73.1	93.9	178.1	-80.5	149.5	0	0	0	111	T5 D7 S16	T5-L14 PolarHBondContact O-N 2.94Å; D7-L14 HydrophobicContact CB-CD1 4.15Å; D7-L14 HydrophobicContact CB-CG 4.4Å; L14-S16 PolarHBondContact O-N 3.4Å
15	M	62.3	Low	65.5	Low	104 Å²	104	132.5 Å²	132.5	51%	0.512	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-66.3	-15.1	-179.1	-64.4	-86	89.2	0	0	114.5	M13 K17 M18	M13-M15 HydrophobicContact CB-CE 4.36Å; M13-M15 PolarHBondContact O-N 3.08Å; M15-K17 VanDerWaalsContact C-N 3.27Å; M15-K17 PolarHBondContact O-N 3.12Å; M15-M18 HydrophobicContact CE-CE 3.3Å; M15-M18 HydrophobicContact CE-SD 3.52Å; M15-M18 VanDerWaalsContact CE-SD 3.52Å; M15-M18 WeakPolarHBondContact O-CB 3.25Å; M15-M18 PolarHBondContact O-N 3Å; M15-M18 VanDerWaalsContact O-N 3.07Å; M15-M18 HydrophobicContact SD-CE 3.51Å; M15-M18 VanDerWaalsContact SD-CE 3.51Å
16	S	59	Low	64	Low	96 Å²	96	142.2 Å²	142.2	67%	0.671	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-68.7	-24.1	-175.9	78.6	0	0	0	0	113.5	L14	L14-S16 PolarHBondContact O-N 3.4Å
17	K	53.9	Low	61.7	Low	176 Å²	176	148.2 Å²	148.2	77%	0.765	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-87.6	-3.6	173.3	-69.5	-172.9	177.3	177.7	0	113.8	M15	M15-K17 VanDerWaalsContact C-N 3.27Å; M15-K17 PolarHBondContact O-N 3.12Å
18	M	54	Low	60	Low	128 Å²	128	152.9 Å²	152.9	63%	0.631	72%	0.719	S	S	*	*	S	Bend	trans	-91.3	-3.3	-179.9	-155	170.3	71.5	0	0	113.3	M15 K20	M15-M18 HydrophobicContact CE-CE 3.3Å; M15-M18 HydrophobicContact CE-SD 3.52Å; M15-M18 VanDerWaalsContact CE-SD 3.52Å; M15-M18 WeakPolarHBondContact O-CB 3.25Å; M15-M18 PolarHBondContact O-N 3Å; M15-M18 VanDerWaalsContact O-N 3.07Å; M15-M18 HydrophobicContact SD-CE 3.51Å; M15-M18 VanDerWaalsContact SD-CE 3.51Å; M18-K20 PolarHBondContact O-N 3.49Å
19	N	54.8	Low	57.6	Low	137 Å²	137	149 Å²	149	73%	0.733	71%	0.712	S	S	*	*			trans	-100.7	71.2	-177.1	-69.4	-29.2	0	0	0	112
20	K	52.3	Low	56.1	Low	205 Å²	205	142.5 Å²	142.5	89%	0.891	70%	0.703	S	S	*	*			trans	-140.7	73.8	159.6	-152.2	167	-171	166.8	0	110.8	M18	M18-K20 PolarHBondContact O-N 3.49Å
21	S	46.2	Very low	53.9	Low	116 Å²	116	146.2 Å²	146.2	81%	0.811	72%	0.719	S	S	*	*			trans	179.8	81.7	142.4	-171.8	0	0	0	0	110.1
22	R	50.6	Low	52.1	Low	258 Å²	258	152.3 Å²	152.3	97%	0.974	74%	0.735	S	S	*	*			trans	-147.2	69.9	158.5	-110	-175.4	-168.2	179.1	4.8	108.4
23	Q	42.5	Very low	50.6	Low	184 Å²	184	151.2 Å²	151.2	86%	0.86	74%	0.741	S	S	*	*			trans	-123.6	116.4	160.5	-122.7	177.6	-10.4	0	0	108.2	V25	Q23-V25 PolarHBondContact O-N 3.34Å
24	R	50.7	Low	49	Very low	249 Å²	249	156.4 Å²	156.4	94%	0.94	76%	0.761	S	S	*	*			trans	-51.4	121.7	170.1	-72.3	171.2	169	161	-4.3	108.9
25	V	40.4	Very low	47.8	Very low	121 Å²	121	155.6 Å²	155.6	73%	0.733	78%	0.775	S	S	*	*			trans	-107.7	105.5	157.2	-180	0	0	0	0	106	Q23 Y27	Q23-V25 PolarHBondContact O-N 3.34Å; V25-Y27 PolarHBondContact O-N 3.39Å
26	R	49.2	Very low	47.4	Very low	248 Å²	248	160 Å²	160	94%	0.936	79%	0.791	S	S	*	*			trans	-59.9	111	154.2	-78.5	-178.3	178.3	161.4	-1.9	105.5
27	Y	35.4	Very low	46.9	Very low	193 Å²	193	160.2 Å²	160.2	76%	0.757	79%	0.791	S	S	*	*			trans	-117.5	102.6	162.4	-152.1	-109.9	0	0	0	106.7	V25 S29	V25-Y27 PolarHBondContact O-N 3.39Å; Y27-S29 WeakPolarHBondContact CD1-OG 3.44Å; Y27-S29 WeakPolarHBondContact CE1-OG 3.31Å; Y27-S29 PolarHBondContact O-N 2.98Å
28	D	45.6	Very low	46.9	Very low	145 Å²	145	157.6 Å²	157.6	78%	0.775	79%	0.785	S	S	*	*			trans	-60.5	124.1	157	-173.7	2.7	0	0	0	106.9
29	S	33.4	Very low	47	Very low	73 Å²	73	157 Å²	157	51%	0.51	78%	0.784	S	S	.	*			trans	-151.3	86.8	169.3	-94.7	0	0	0	0	108.1	Y27 N31	Y27-S29 WeakPolarHBondContact CD1-OG 3.44Å; Y27-S29 WeakPolarHBondContact CE1-OG 3.31Å; Y27-S29 PolarHBondContact O-N 2.98Å; S29-N31 VanDerWaalsContact C-N 3.32Å; S29-N31 PolarHBondContact O-N 3.29Å
30	S	45.7	Very low	47.1	Very low	100 Å²	100	157.2 Å²	157.2	70%	0.699	79%	0.785	S	S	*	*			trans	-33.3	98.2	138	55.6	0	0	0	0	111.2
31	N	36.3	Very low	47.2	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	76%	0.76	S	S	*	*			trans	-140.6	90.5	149.4	-100.2	-11.4	0	0	0	106.9	S29	S29-N31 VanDerWaalsContact C-N 3.32Å; S29-N31 PolarHBondContact O-N 3.29Å
32	Q	46.3	Very low	47.7	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.813	76%	0.763	S	S	*	*			trans	-61.5	156.1	161.9	-62.6	-164.5	12.3	0	0	109.9
33	V	49.9	Very low	48.2	Very low	126 Å²	126	142.5 Å²	142.5	76%	0.764	74%	0.743	S	S	*	*			trans	74.3	93.9	161.4	-159.9	0	0	0	0	115.6
34	K	45.9	Very low	49	Very low	200 Å²	200	137 Å²	137	87%	0.87	72%	0.723	S	S	*	*	S	Bend		-157.9	125	119.5	-99.6	168.3	-166.8	-168.1	0	107.9	K36	K34-K36 PolarHBondContact O-N 3.27Å
35	G	48.8	Very low	49.7	Very low	76 Å²	76	127.2 Å²	127.2	78%	0.784	69%	0.691	S	S	*	*			trans	-42.2	112.7	-161.4	0	0	0	0	0	114.8	P37	G35-P37 WeakPolarHBondContact O-CD 3.48Å
36	K	54.2	Low	50.7	Low	195 Å²	195	128.4 Å²	128.4	85%	0.848	68%	0.682	S	S	*	*			trans	-64.5	120	149	-79.5	177.6	158.5	-179.6	0	105.8	K34 D38	K34-K36 PolarHBondContact O-N 3.27Å; K36-D38 PolarHBondContact O-N 3.19Å
37	P	48.6	Very low	51.4	Low	102 Å²	102	126.2 Å²	126.2	66%	0.662	68%	0.683	S	S	*	*			trans	-58.6	119.4	155.3	26.4	-29.4	0	0	0	104.5	G35 L39	G35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-L39 HydrophobicContact CB-CD1 4.09Å; P37-L39 HydrophobicContact CG-CD1 4.43Å; P37-L39 PolarHBondContact O-N 3.46Å
38	D	55	Low	52.6	Low	120 Å²	120	120.4 Å²	120.4	64%	0.642	67%	0.668	S	S	*	*			trans	-62.9	87	176.9	-164	-7.4	0	0	0	107.8	K36 N40	K36-D38 PolarHBondContact O-N 3.19Å; D38-N40 WeakPolarHBondContact OD1-CB 3.34Å; D38-N40 VanDerWaalsContact OD1-CG 3.24Å; D38-N40 PolarHBondContact OD1-N 2.96Å; D38-N40 PolarHBondContact OD1-ND2 2.89Å
39	L	56.2	Low	53.5	Low	116 Å²	116	118.8 Å²	118.8	61%	0.607	67%	0.674	S	S	*	*			trans	-97.1	45.9	174	-115.1	80.7	0	0	0	107.8	P37 T41	P37-L39 HydrophobicContact CB-CD1 4.09Å; P37-L39 HydrophobicContact CG-CD1 4.43Å; P37-L39 PolarHBondContact O-N 3.46Å; L39-T41 PolarHBondContact O-N 2.76Å
40	N	55.2	Low	55	Low	141 Å²	141	118.1 Å²	118.1	75%	0.754	67%	0.669	S	S	*	*			trans	-67.7	67.2	161.9	-84.7	-45.8	0	0	0	109.9	D38	D38-N40 WeakPolarHBondContact OD1-CB 3.34Å; D38-N40 VanDerWaalsContact OD1-CG 3.24Å; D38-N40 PolarHBondContact OD1-N 2.96Å; D38-N40 PolarHBondContact OD1-ND2 2.89Å
41	T	54.8	Low	56	Low	59 Å²	59	120.6 Å²	120.6	36%	0.362	67%	0.673	S	S	.	*			trans	-116	89	162.6	17	0	0	0	0	106.2	L39 L43 V45	L39-T41 PolarHBondContact O-N 2.76Å; T41-L43 PolarHBondContact O-N 3.47Å; T41-L43 VanDerWaalsContact O-N 3.12Å; T41-V45 HydrophobicContact CG2-CG2 3.49Å; T41-V45 VanDerWaalsContact CG2-CG2 3.49Å
42	A	57.1	Low	57.5	Low	108 Å²	108	120.6 Å²	120.6	89%	0.893	67%	0.666	S	S	*	*			trans	-60.3	-15.7	173.6	0	0	0	0	0	112.3
43	L	60.3	Low	58.4	Low	103 Å²	103	118 Å²	118	54%	0.539	65%	0.652	S	S	.	*	S	Bend	trans	-104.8	147	176.4	-60.6	178.5	0	0	0	111.1	T41 V45	T41-L43 PolarHBondContact O-N 3.47Å; T41-L43 VanDerWaalsContact O-N 3.12Å; L43-V45 PolarHBondContact O-N 2.93Å
44	P	60.1	Low	59.4	Low	69 Å²	69	117.5 Å²	117.5	45%	0.448	64%	0.641	S	S	.	*			trans	-52.3	134.8	172.3	-23.6	33.4	0	0	0	111	V56	P44-V56 VanDerWaalsContact O-CB 3.25Å; P44-V56 WeakPolarHBondContact O-CB 3.39Å; P44-V56 WeakPolarHBondContact O-CG2 3.34Å; P44-V56 PolarHBondContact O-N 3.05Å
45	V	65.6	Low	60.5	Low	44 Å²	44	113.2 Å²	113.2	27%	0.267	63%	0.634	S	S	.	*	B	Isolated β-bridge	trans	-108	140.8	175.6	-176.9	0	0	0	0	107.9	T41 L43 Q47 K53	T41-V45 HydrophobicContact CG2-CG2 3.49Å; T41-V45 VanDerWaalsContact CG2-CG2 3.49Å; L43-V45 PolarHBondContact O-N 2.93Å; V45-Q47 PolarHBondContact O-N 2.94Å; V45-K53 HydrophobicContact CG1-CB 4.11Å; V45-K53 HydrophobicContact CG1-CG 4.21Å
46	R	61.4	Low	61.5	Low	145 Å²	145	111.2 Å²	111.2	55%	0.547	61%	0.607	S	S	.	*			trans	-60.6	126.3	173.3	-92.9	164.3	-161	-79.4	3.4	109.7	T48 V56	R46-T48 HydrophobicContact CB-CG2 4.04Å; R46-T48 HydrophobicContact CG-CG2 4.34Å; R46-T48 PolarHBondContact O-N 3.45Å; R46-V56 HydrophobicContact CB-CG2 4.1Å; R46-V56 HydrophobicContact CG-CG2 3.58Å; R46-V56 VanDerWaalsContact N-CG2 3.33Å
47	Q	63.8	Low	62.5	Low	202 Å²	202	107.8 Å²	107.8	94%	0.944	60%	0.602	S	S	*	*			trans	-87.6	63.7	166.2	-67.8	-175.3	-25.9	0	0	109.1	V45	V45-Q47 PolarHBondContact O-N 2.94Å
48	T	60.9	Low	63.5	Low	72 Å²	72	109.3 Å²	109.3	44%	0.442	60%	0.598	S	S	.	*	S	Bend	trans	-96.6	164.4	173.5	55.4	0	0	0	0	109.3	R46 S50	R46-T48 HydrophobicContact CB-CG2 4.04Å; R46-T48 HydrophobicContact CG-CG2 4.34Å; R46-T48 PolarHBondContact O-N 3.45Å; T48-S50 PolarHBondContact O-N 3.46Å
49	A	63.3	Low	64.4	Low	111 Å²	111	110.5 Å²	110.5	92%	0.917	60%	0.603	S	S	*	*	S	Bend	trans	-60.8	-5.4	171.5	0	0	0	0	0	113.3
50	S	65.8	Low	65	Low	58 Å²	58	108.2 Å²	108.2	41%	0.406	59%	0.594	S	S	.	*			trans	-78.8	120.2	173.7	-173.3	0	0	0	0	110.3	T48 F52	T48-S50 PolarHBondContact O-N 3.46Å; S50-F52 PolarHBondContact O-N 3.34Å
51	I	66.1	Low	65.5	Low	153 Å²	153	108.3 Å²	108.3	79%	0.785	60%	0.595	S	S	*	*	S	Bend	trans	-70.4	-13.7	177.3	61.7	172.7	0	0	0	113.3
52	F	67.6	Low	66.2	Low	158 Å²	158	111.9 Å²	111.9	69%	0.693	61%	0.607	S	S	*	*	S	Bend	trans	-85.5	117.2	177.1	-63.5	-72.2	0	0	0	109.9	S50 Q54	S50-F52 PolarHBondContact O-N 3.34Å; F52-Q54 PolarHBondContact O-N 3.46Å
53	K	65.9	Low	66.7	Low	120 Å²	120	113 Å²	113	52%	0.522	61%	0.605	S	S	.	*			trans	-64.4	106.4	178.7	-63.8	-172.3	-178.4	-177.7	0	109.8	V45	V45-K53 HydrophobicContact CG1-CB 4.11Å; V45-K53 HydrophobicContact CG1-CG 4.21Å
54	Q	70.8	Confident	67.1	Low	115 Å²	115	113 Å²	113	54%	0.537	61%	0.614	S	S	.	*			trans	-93.9	130	167.9	-71.1	-174.3	-32.3	0	0	109.7	F52	F52-Q54 PolarHBondContact O-N 3.46Å
55	P	69.7	Low	67.3	Low	110 Å²	110	114.7 Å²	114.7	71%	0.714	62%	0.619	S	S	*	*	B	Isolated β-bridge	trans	-63.9	146.1	175.7	27.1	-33.3	0	0	0	110.7
56	V	68.3	Low	67.3	Low	35 Å²	35	122.1 Å²	122.1	21%	0.212	65%	0.648	C	S	.	*			trans	-117	135.3	175.5	-166.8	0	0	0	0	109.7	P44 R46 K58	P44-V56 VanDerWaalsContact O-CB 3.25Å; P44-V56 WeakPolarHBondContact O-CB 3.39Å; P44-V56 WeakPolarHBondContact O-CG2 3.34Å; P44-V56 PolarHBondContact O-N 3.05Å; R46-V56 HydrophobicContact CB-CG2 4.1Å; R46-V56 HydrophobicContact CG-CG2 3.58Å; R46-V56 VanDerWaalsContact N-CG2 3.33Å; V56-K58 PolarHBondContact O-N 2.69Å
57	T	76.4	Confident	67.4	Low	122 Å²	122	119.9 Å²	119.9	75%	0.748	65%	0.65	S	S	*	*			trans	-76.8	120.6	173.5	-49.4	0	0	0	0	109.9	I59	T57-I59 HydrophobicContact CG2-CG1 4.43Å; T57-I59 PolarHBondContact O-N 3.35Å
58	K	70.1	Confident	67.1	Low	134 Å²	134	119.4 Å²	119.4	58%	0.583	65%	0.645	S	S	*	*			trans	-80.5	108.5	172.1	-174.5	-173.5	178.7	-174.8	0	109.2	V56 T60	V56-K58 PolarHBondContact O-N 2.69Å; K58-T60 HydrophobicContact CD-CG2 4.22Å; K58-T60 HydrophobicContact CG-CG2 4.01Å
59	I	73.8	Confident	67	Low	145 Å²	145	121.5 Å²	121.5	74%	0.744	66%	0.662	S	S	*	*			trans	-94.4	125.5	172.1	-58.3	173.8	0	0	0	108	T57	T57-I59 HydrophobicContact CG2-CG1 4.43Å; T57-I59 PolarHBondContact O-N 3.35Å
60	T	69.1	Low	66.4	Low	68 Å²	68	121.5 Å²	121.5	42%	0.417	65%	0.647	S	S	.	*			trans	-126	124.4	174.6	64.9	0	0	0	0	109.5	K58 H62	K58-T60 HydrophobicContact CD-CG2 4.22Å; K58-T60 HydrophobicContact CG-CG2 4.01Å; T60-H62 PolarHBondContact O-N 3Å
61	N	65.3	Low	66	Low	144 Å²	144	124 Å²	124	77%	0.77	66%	0.662	S	S	*	*	S	Bend	trans	-69.7	-17.2	179.8	-65	-24.1	0	0	0	113.2
62	H	68.8	Low	65.5	Low	133 Å²	133	124.6 Å²	124.6	62%	0.616	66%	0.661	S	S	*	*			trans	-131.7	111.9	-177.8	-58	-63	0	0	0	111	T60 S64 N65	T60-H62 PolarHBondContact O-N 3Å; H62-S64 PolarHBondContact O-N 3.32Å; H62-S64 VanDerWaalsContact O-N 3.15Å; H62-N65 WeakPolarHBondContact O-CB 3.31Å; H62-N65 PolarHBondContact O-N 2.97Å
63	P	67.1	Low	65	Low	133 Å²	133	126 Å²	126	86%	0.864	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-14.5	-173.5	22.3	-31.1	0	0	0	114.6
64	S	69.9	Low	64.3	Low	103 Å²	103	124.7 Å²	124.7	72%	0.72	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	3.5	178.7	58.3	0	0	0	0	114.5	H62 K66	H62-S64 PolarHBondContact O-N 3.32Å; H62-S64 VanDerWaalsContact O-N 3.15Å; S64-K66 PolarHBondContact O-N 3.49Å
65	N	63.9	Low	63.8	Low	104 Å²	104	125.7 Å²	125.7	56%	0.556	69%	0.692	S	S	*	*			trans	-70.2	95.2	-174.2	-167.6	17.8	0	0	0	112	H62 V67	H62-N65 WeakPolarHBondContact O-CB 3.31Å; H62-N65 PolarHBondContact O-N 2.97Å; N65-V67 VanDerWaalsContact C-N 3.34Å; N65-V67 PolarHBondContact O-N 3.03Å; N65-V67 VanDerWaalsContact O-N 3.08Å
66	K	66.4	Low	63.3	Low	199 Å²	199	126.7 Å²	126.7	87%	0.865	69%	0.692	S	S	*	*			trans	-79.3	81.8	171	-64.3	-169.7	-177.9	-176.3	0	109.4	S64 K68	S64-K66 PolarHBondContact O-N 3.49Å; K66-K68 PolarHBondContact O-N 3.1Å
67	V	63.1	Low	62.9	Low	98 Å²	98	133.3 Å²	133.3	59%	0.594	72%	0.72	S	S	*	*			trans	-64	117.3	166.1	-178.5	0	0	0	0	106.9	N65 S69	N65-V67 VanDerWaalsContact C-N 3.34Å; N65-V67 PolarHBondContact O-N 3.03Å; N65-V67 VanDerWaalsContact O-N 3.08Å; V67-S69 PolarHBondContact O-N 2.93Å
68	K	57.5	Low	62.2	Low	193 Å²	193	133.6 Å²	133.6	84%	0.839	72%	0.724	S	S	*	*			trans	-58.2	107.8	172	-77.2	-178.4	176.2	180	0	107.7	K66 D70	K66-K68 PolarHBondContact O-N 3.1Å; K68-D70 PolarHBondContact O-N 2.9Å
69	S	59.3	Low	62	Low	115 Å²	115	135.7 Å²	135.7	80%	0.804	73%	0.729	S	S	*	*			trans	-79.4	54.4	169	61.5	0	0	0	0	109.2	V67 P71	V67-S69 PolarHBondContact O-N 2.93Å; S69-P71 VanDerWaalsContact C-CD 3.47Å; S69-P71 WeakPolarHBondContact O-CD 3.34Å
70	D	50.3	Low	62.1	Low	111 Å²	111	134.5 Å²	134.5	59%	0.594	72%	0.72	S	S	*	*			trans	-103.5	94.1	167.7	-161.7	4.8	0	0	0	105.9	K68 Q72	K68-D70 PolarHBondContact O-N 2.9Å; D70-Q72 PolarHBondContact O-N 2.86Å; D70-Q72 WeakPolarHBondContact OD2-CG 3.43Å
71	P	57.5	Low	62.2	Low	111 Å²	111	136.1 Å²	136.1	72%	0.721	73%	0.726	S	S	*	*			trans	-68.6	76.5	157.8	31.1	-28.9	0	0	0	105.2	S69 K73	S69-P71 VanDerWaalsContact C-CD 3.47Å; S69-P71 WeakPolarHBondContact O-CD 3.34Å; P71-K73 VanDerWaalsContact C-N 3.31Å; P71-K73 PolarHBondContact O-N 3.28Å
72	Q	55.5	Low	62.9	Low	165 Å²	165	137.9 Å²	137.9	77%	0.771	73%	0.727	S	S	*	*			trans	-51.2	109.2	164.2	-91.3	-171.9	-54.3	0	0	105	D70 A74	D70-Q72 PolarHBondContact O-N 2.86Å; D70-Q72 WeakPolarHBondContact OD2-CG 3.43Å; Q72-A74 PolarHBondContact O-N 3.32Å
73	K	55.6	Low	63.4	Low	187 Å²	187	139.1 Å²	139.1	81%	0.813	73%	0.726	S	S	*	*			trans	11.3	105.2	174	-74.6	176.8	172.4	-177.3	0	112.3	P71 V75	P71-K73 VanDerWaalsContact C-N 3.31Å; P71-K73 PolarHBondContact O-N 3.28Å; K73-V75 VanDerWaalsContact C-N 3.35Å; K73-V75 PolarHBondContact O-N 3.25Å
74	A	52.3	Low	63.7	Low	94 Å²	94	138.4 Å²	138.4	78%	0.777	71%	0.711	S	S	*	*			trans	-36.3	103.7	166.5	0	0	0	0	0	109.2	Q72 D76	Q72-A74 PolarHBondContact O-N 3.32Å; A74-D76 VanDerWaalsContact C-N 3.29Å; A74-D76 PolarHBondContact O-N 2.66Å
75	V	60.2	Low	64.3	Low	135 Å²	135	141.6 Å²	141.6	82%	0.818	71%	0.712	S	S	*	*	S	Bend	trans	-73.7	99.6	170.4	173.4	0	0	0	0	103	K73	K73-V75 VanDerWaalsContact C-N 3.35Å; K73-V75 PolarHBondContact O-N 3.25Å
76	D	58.2	Low	65.4	Low	131 Å²	131	144.5 Å²	144.5	70%	0.701	72%	0.72	S	S	*	*	S	Bend	trans	59.8	142.1	-177.8	-62.2	-45.7	0	0	0	116.5	A74	A74-D76 VanDerWaalsContact C-N 3.29Å; A74-D76 PolarHBondContact O-N 2.66Å
77	Q	60.3	Low	66.1	Low	174 Å²	174	139.7 Å²	139.7	81%	0.813	70%	0.703	S	S	*	*			trans	-60.3	135.5	170	-147.6	174.4	55.3	0	0	107.7	R79	Q77-R79 WeakPolarHBondContact O-CG 2.95Å; Q77-R79 PolarHBondContact O-N 2.68Å
78	P	62.5	Low	67.1	Low	128 Å²	128	139 Å²	139	83%	0.831	70%	0.703	S	S	*	*			trans	-57.3	113.9	-179.9	22.1	-32.6	0	0	0	109.7
79	R	65.6	Low	68.3	Low	178 Å²	178	133.6 Å²	133.6	67%	0.672	70%	0.702	S	S	*	*			trans	-86.5	129.9	-179.7	-59	-174.2	79.2	-143.2	-1.1	109.8	Q77 L81	Q77-R79 WeakPolarHBondContact O-CG 2.95Å; Q77-R79 PolarHBondContact O-N 2.68Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 HydrophobicContact CB-CD2 3.96Å; R79-L81 HydrophobicContact CB-CG 4.29Å; R79-L81 PolarHBondContact O-N 3.3Å
80	Q	74.9	Confident	69.7	Low	121 Å²	121	133.8 Å²	133.8	57%	0.565	69%	0.693	S	S	*	*			trans	-83.5	67.4	-179.4	-168.6	171.8	-66.3	0	0	111.5	F82 W83	Q80-F82 VanDerWaalsContact C-N 3.27Å; Q80-F82 PolarHBondContact O-N 2.77Å; Q80-W83 VanDerWaalsContact CD-CD1 3.4Å; Q80-W83 HydrophobicContact CG-CB 4.01Å; Q80-W83 HydrophobicContact CG-CG 3.81Å; Q80-W83 PolarHBondContact O-N 3.12Å
81	L	71.6	Confident	71.5	Confident	102 Å²	102	133.7 Å²	133.7	53%	0.534	69%	0.692	S	S	.	*	H	α-helix	trans	-63.2	-29.8	-171.9	-58.3	176.9	0	0	0	113.9	R79 W83 K85	R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 HydrophobicContact CB-CD2 3.96Å; R79-L81 HydrophobicContact CB-CG 4.29Å; R79-L81 PolarHBondContact O-N 3.3Å; L81-W83 VanDerWaalsContact C-N 3.34Å; L81-W83 PolarHBondContact O-N 3.22Å; L81-K85 PolarHBondContact O-N 3.3Å
82	F	79.8	Confident	73	Confident	181 Å²	181	131.4 Å²	131.4	79%	0.794	68%	0.683	S	S	*	*	H	α-helix	trans	-69.3	-31.5	-177.7	-80.6	-76.8	0	0	0	113.1	Q80 K86	Q80-F82 VanDerWaalsContact C-N 3.27Å; Q80-F82 PolarHBondContact O-N 2.77Å; F82-K86 WeakPolarHBondContact O-CB 3.32Å; F82-K86 PolarHBondContact O-N 2.96Å
83	W	79	Confident	74.8	Confident	158 Å²	158	129.4 Å²	129.4	60%	0.598	67%	0.672	S	S	*	*	H	α-helix	trans	-78.7	-41.9	-177	-75.4	65.1	0	0	0	111.6	Q80 L81 K85 K86 L87	Q80-W83 VanDerWaalsContact CD-CD1 3.4Å; Q80-W83 HydrophobicContact CG-CB 4.01Å; Q80-W83 HydrophobicContact CG-CG 3.81Å; Q80-W83 PolarHBondContact O-N 3.12Å; L81-W83 VanDerWaalsContact C-N 3.34Å; L81-W83 PolarHBondContact O-N 3.22Å; W83-K85 VanDerWaalsContact C-N 3.27Å; W83-K85 PolarHBondContact O-N 3.23Å; W83-K86 PolarHBondContact O-N 3.22Å; W83-K86 VanDerWaalsContact O-N 3.15Å; W83-L87 WeakPolarHBondContact O-CB 3.49Å; W83-L87 VanDerWaalsContact O-CG 3.28Å; W83-L87 WeakPolarHBondContact O-CG 3.14Å; W83-L87 PolarHBondContact O-N 3.35Å
84	E	75.3	Confident	76.6	Confident	119 Å²	119	124 Å²	124	56%	0.556	65%	0.652	S	S	*	*	H	α-helix	trans	-54	-47.4	172.9	-67.1	177.2	173.5	0	0	110.8	S88	E84-S88 PolarHBondContact O-N 3.34Å
85	K	80.9	Confident	78.6	Confident	170 Å²	170	128 Å²	128	74%	0.739	66%	0.659	S	S	*	*	H	α-helix	trans	-71.3	-33.4	177.4	-174.8	156.6	-176.4	160	0	113.8	L81 W83 L87 S88	L81-K85 PolarHBondContact O-N 3.3Å; W83-K85 VanDerWaalsContact C-N 3.27Å; W83-K85 PolarHBondContact O-N 3.23Å; K85-L87 VanDerWaalsContact C-N 3.35Å; K85-S88 PolarHBondContact O-OG 3.15Å
86	K	86.6	Confident	80.3	Confident	164 Å²	164	124.9 Å²	124.9	71%	0.713	65%	0.646	S	S	*	*	H	α-helix	trans	-71.3	-33.3	178.2	-175.5	176.2	179.7	-178.2	0	112	F82 W83	F82-K86 WeakPolarHBondContact O-CB 3.32Å; F82-K86 PolarHBondContact O-N 2.96Å; W83-K86 PolarHBondContact O-N 3.22Å; W83-K86 VanDerWaalsContact O-N 3.15Å
87	L	83.1	Confident	82	Confident	99 Å²	99	126.7 Å²	126.7	52%	0.518	65%	0.651	S	S	.	*	H	α-helix	trans	-88.3	-11.7	179.8	-61.7	177.4	0	0	0	112.8	W83 K85 G89 L90	W83-L87 WeakPolarHBondContact O-CB 3.49Å; W83-L87 VanDerWaalsContact O-CG 3.28Å; W83-L87 WeakPolarHBondContact O-CG 3.14Å; W83-L87 PolarHBondContact O-N 3.35Å; K85-L87 VanDerWaalsContact C-N 3.35Å; L87-G89 PolarHBondContact O-N 3.31Å; L87-L90 HydrophobicContact CD2-CD1 3.89Å; L87-L90 WeakPolarHBondContact O-CB 3.15Å; L87-L90 PolarHBondContact O-N 3.35Å; L87-L90 VanDerWaalsContact O-N 3.12Å
88	S	82.4	Confident	83.6	Confident	84 Å²	84	124.8 Å²	124.8	59%	0.587	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	127.5	177.6	70.3	0	0	0	0	111.1	E84 K85 L90	E84-S88 PolarHBondContact O-N 3.34Å; K85-S88 PolarHBondContact O-OG 3.15Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.87Å
89	G	83.4	Confident	85.1	Confident	79 Å²	79	123.6 Å²	123.6	81%	0.814	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.7	2	-179.9	0	0	0	0	0	114.9	L87	L87-G89 PolarHBondContact O-N 3.31Å
90	L	87.9	Confident	86.3	Confident	118 Å²	118	118.6 Å²	118.6	62%	0.618	62%	0.617	S	S	*	*			trans	-84	140	169.2	-62.2	-176.6	0	0	0	110.4	L87 S88	L87-L90 HydrophobicContact CD2-CD1 3.89Å; L87-L90 WeakPolarHBondContact O-CB 3.15Å; L87-L90 PolarHBondContact O-N 3.35Å; L87-L90 VanDerWaalsContact O-N 3.12Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.87Å
91	N	88.2	Confident	86.9	Confident	109 Å²	109	120.3 Å²	120.3	58%	0.583	62%	0.622	S	S	*	*			trans	-111.5	143.2	174.8	-72.9	-38.9	0	0	0	109.6	F93 L99	N91-F93 HydrophobicContact CB-CD2 4.43Å; N91-F93 HydrophobicContact CB-CE2 3.69Å; N91-F93 HydrophobicContact CB-CZ 4.06Å; N91-F93 WeakPolarHBondContact O-CD2 3.47Å; N91-L99 HydrophobicContact CB-CD1 3.51Å
92	A	89.3	Confident	87.4	Confident	63 Å²	63	120.5 Å²	120.5	52%	0.521	63%	0.628	S	S	.	*			trans	-84.3	135.1	171.7	0	0	0	0	0	109.5	V100	A92-V100 HydrophobicContact CB-CB 3.99Å; A92-V100 HydrophobicContact CB-CG2 4.1Å; A92-V100 WeakPolarHBondContact O-CB 3.25Å; A92-V100 PolarHBondContact O-N 3.33Å
93	F	93.2	Very high	87.7	Confident	124 Å²	124	118.2 Å²	118.2	54%	0.544	62%	0.622	S	S	.	*	B	Isolated β-bridge	trans	-121.3	148	175.2	-65.5	-91.7	0	0	0	109.4	N91 E97 E98 L99	N91-F93 HydrophobicContact CB-CD2 4.43Å; N91-F93 HydrophobicContact CB-CE2 3.69Å; N91-F93 HydrophobicContact CB-CZ 4.06Å; N91-F93 WeakPolarHBondContact O-CD2 3.47Å; F93-E97 WeakPolarHBondContact CD1-O 3.12Å; F93-E98 CarbonylContact C-O 3.57Å; F93-E98 VanDerWaalsContact CA-O 3.25Å; F93-E98 WeakPolarHBondContact CA-O 3.32Å; F93-L99 HydrophobicContact CD1-CB 4.45Å; F93-L99 HydrophobicContact CE1-CB 4.2Å; F93-L99 HydrophobicContact CE1-CD1 4.35Å; F93-L99 HydrophobicContact CZ-CD1 4.37Å
94	D	93.3	Very high	88.1	Confident	74 Å²	74	115.5 Å²	115.5	40%	0.396	62%	0.619	S	S	.	*			trans	-85.2	-174.5	175	76.5	4.6	0	0	0	112.2	A96 E97 E98 V100	D94-A96 PolarHBondContact O-N 3.38Å; D94-A96 VanDerWaalsContact OD1-CA 3.3Å; D94-A96 WeakPolarHBondContact OD1-CA 3.37Å; D94-A96 WeakPolarHBondContact OD1-CB 3.28Å; D94-A96 PolarHBondContact OD1-N 3.07Å; D94-E97 PolarHBondContact O-N 2.86Å; D94-E97 VanDerWaalsContact O-N 3.08Å; D94-E97 PolarHBondContact OD1-N 3.49Å; D94-E97 VanDerWaalsContact OD1-N 3.14Å; D94-E98 PolarHBondContact N-O 3.46Å; D94-E98 PolarHBondContact OD1-N 3.12Å; D94-V100 HydrophobicContact CB-CG2 4.34Å
95	I	95.1	Very high	88.6	Confident	178 Å²	178	110.9 Å²	110.9	91%	0.913	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-20.4	179.7	-166.1	162.7	0	0	0	113.4	E97	I95-E97 VanDerWaalsContact C-N 3.28Å
96	A	96.3	Very high	89	Confident	68 Å²	68	106.8 Å²	106.8	56%	0.562	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	8.4	175.6	0	0	0	0	0	112.1	D94 E98	D94-A96 PolarHBondContact O-N 3.38Å; D94-A96 VanDerWaalsContact OD1-CA 3.3Å; D94-A96 WeakPolarHBondContact OD1-CA 3.37Å; D94-A96 WeakPolarHBondContact OD1-CB 3.28Å; D94-A96 PolarHBondContact OD1-N 3.07Å; A96-E98 HydrophobicContact CB-CG 4.34Å; A96-E98 PolarHBondContact O-N 2.91Å
97	E	92.8	Very high	89	Confident	169 Å²	169	109.4 Å²	109.4	79%	0.79	60%	0.6	S	S	*	*	S	Bend	trans	61.9	22.4	-174.6	-53.5	-175.6	163.8	0	0	113.4	F93 D94 I95	F93-E97 WeakPolarHBondContact CD1-O 3.12Å; D94-E97 PolarHBondContact O-N 2.86Å; D94-E97 VanDerWaalsContact O-N 3.08Å; D94-E97 PolarHBondContact OD1-N 3.49Å; D94-E97 VanDerWaalsContact OD1-N 3.14Å; I95-E97 VanDerWaalsContact C-N 3.28Å
98	E	95.3	Very high	89.3	Confident	135 Å²	135	108.8 Å²	108.8	63%	0.631	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-86	140.2	174.1	-63.9	-159.5	160.1	0	0	111.1	F93 D94 A96 V100	F93-E98 CarbonylContact C-O 3.57Å; F93-E98 VanDerWaalsContact CA-O 3.25Å; F93-E98 WeakPolarHBondContact CA-O 3.32Å; D94-E98 PolarHBondContact N-O 3.46Å; D94-E98 PolarHBondContact OD1-N 3.12Å; A96-E98 HydrophobicContact CB-CG 4.34Å; A96-E98 PolarHBondContact O-N 2.91Å; E98-V100 PolarHBondContact O-N 3.33Å
99	L	92.7	Very high	89.5	Confident	102 Å²	102	108.6 Å²	108.6	53%	0.534	61%	0.609	S	S	.	*	B	Isolated β-bridge	trans	-62.5	120	177.8	177.2	66.3	0	0	0	109.7	N91 F93 K101	N91-L99 HydrophobicContact CB-CD1 3.51Å; F93-L99 HydrophobicContact CD1-CB 4.45Å; F93-L99 HydrophobicContact CE1-CB 4.2Å; F93-L99 HydrophobicContact CE1-CD1 4.35Å; F93-L99 HydrophobicContact CZ-CD1 4.37Å; L99-K101 PolarHBondContact O-N 3.42Å; L99-K101 VanDerWaalsContact O-N 3.17Å
100	V	91.1	Very high	89.7	Confident	73 Å²	73	112.3 Å²	112.3	44%	0.442	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-67.8	117.2	174.7	179.5	0	0	0	0	108.5	A92 D94 E98 T102	A92-V100 HydrophobicContact CB-CB 3.99Å; A92-V100 HydrophobicContact CB-CG2 4.1Å; A92-V100 WeakPolarHBondContact O-CB 3.25Å; A92-V100 PolarHBondContact O-N 3.33Å; D94-V100 HydrophobicContact CB-CG2 4.34Å; E98-V100 PolarHBondContact O-N 3.33Å; V100-T102 PolarHBondContact O-N 3.06Å
101	K	87.4	Confident	89.5	Confident	157 Å²	157	107.5 Å²	107.5	68%	0.683	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-66.5	124.9	180	-161.7	-176.9	175.3	-167.3	0	110.3	L99 D104	L99-K101 PolarHBondContact O-N 3.42Å; L99-K101 VanDerWaalsContact O-N 3.17Å; K101-D104 WeakPolarHBondContact CE-OD2 3.43Å; K101-D104 IonicContact NZ-OD2 2.76Å; K101-D104 PolarHBondContact NZ-OD2 2.97Å
102	T	83.1	Confident	89.4	Confident	106 Å²	106	108.7 Å²	108.7	65%	0.65	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-73.1	164.1	171.1	46.9	0	0	0	0	111	V100	V100-T102 PolarHBondContact O-N 3.06Å
103	M	85.1	Confident	89.1	Confident	134 Å²	134	108.2 Å²	108.2	66%	0.66	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-72	131.5	175.3	-173.3	165.1	82.2	0	0	110	L122	M103-L122 HydrophobicContact CB-CD1 4.03Å; M103-L122 HydrophobicContact CE-CD1 3.99Å; M103-L122 HydrophobicContact CE-CD2 3.21Å; M103-L122 HydrophobicContact CE-CG 4.1Å; M103-L122 HydrophobicContact CG-CD1 4.38Å; M103-L122 WeakPolarHBondContact O-CD1 3.2Å
104	D	86.8	Confident	88.4	Confident	101 Å²	101	108.9 Å²	108.9	54%	0.54	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-89.7	143.7	174	-63.2	-42.3	0	0	0	110	K101	K101-D104 WeakPolarHBondContact CE-OD2 3.43Å; K101-D104 IonicContact NZ-OD2 2.76Å; K101-D104 PolarHBondContact NZ-OD2 2.97Å
105	L	86	Confident	87.5	Confident	21 Å²	21	108.7 Å²	108.7	11%	0.11	63%	0.629	C	S	.	*	P	Polyproline II helix	trans	-70.2	141	170.2	-111.6	87.9	0	0	0	110.9	L109 D118 L121 L122	L105-L109 HydrophobicContact CD2-CB 3.78Å; L105-L109 HydrophobicContact CD2-CD2 3.69Å; L105-L109 HydrophobicContact CD2-CG 3.55Å; L105-L109 VanDerWaalsContact CD2-O 3.25Å; L105-L109 WeakPolarHBondContact CD2-O 3.45Å; L105-L109 HydrophobicContact CG-CD2 4.17Å; L105-L109 HydrophobicContact CG-CG 4.47Å; L105-D118 HydrophobicContact CD1-CB 3.97Å; L105-D118 WeakPolarHBondContact CD1-O 3.5Å; L105-L121 HydrophobicContact CD2-CD2 3.41Å; L105-L121 VanDerWaalsContact CD2-CD2 3.41Å; L105-L121 HydrophobicContact CD2-CG 4.06Å; L105-L122 HydrophobicContact CD1-CD1 3.99Å; L105-L122 HydrophobicContact CD1-CD2 3.33Å; L105-L122 HydrophobicContact CD1-CG 3.32Å; L105-L122 HydrophobicContact CG-CD2 4.22Å
106	P	89.6	Confident	86.8	Confident	85 Å²	85	103.2 Å²	103.2	55%	0.552	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-64	141.5	169.5	25.8	-31.1	0	0	0	110.1	G108 L109	P106-G108 PolarHBondContact O-N 3.47Å; P106-L109 HydrophobicContact CG-CB 4.07Å; P106-L109 HydrophobicContact CG-CD2 4.48Å; P106-L109 PolarHBondContact O-N 3Å
107	K	86.6	Confident	86.3	Confident	218 Å²	218	102.9 Å²	102.9	95%	0.948	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-21.4	-172.9	-61.9	-177.3	-179.6	-179	0	116	L109	K107-L109 VanDerWaalsContact C-N 3.34Å
108	G	88.7	Confident	86.1	Confident	86 Å²	86	98.8 Å²	98.8	89%	0.887	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-4.4	177.9	0	0	0	0	0	114.2	P106	P106-G108 PolarHBondContact O-N 3.47Å
109	L	86.8	Confident	85.6	Confident	80 Å²	80	98.5 Å²	98.5	42%	0.419	58%	0.579	S	S	.	*			trans	-116.6	123.3	-179.4	-168.9	68.2	0	0	0	107.6	L105 P106 K107 L121 I125	L105-L109 HydrophobicContact CD2-CB 3.78Å; L105-L109 HydrophobicContact CD2-CD2 3.69Å; L105-L109 HydrophobicContact CD2-CG 3.55Å; L105-L109 VanDerWaalsContact CD2-O 3.25Å; L105-L109 WeakPolarHBondContact CD2-O 3.45Å; L105-L109 HydrophobicContact CG-CD2 4.17Å; L105-L109 HydrophobicContact CG-CG 4.47Å; P106-L109 HydrophobicContact CG-CB 4.07Å; P106-L109 HydrophobicContact CG-CD2 4.48Å; P106-L109 PolarHBondContact O-N 3Å; K107-L109 VanDerWaalsContact C-N 3.34Å; L109-L121 HydrophobicContact CG-CD2 4.31Å; L109-I125 HydrophobicContact CD2-CD1 3.78Å
110	Q	88.3	Confident	85.2	Confident	158 Å²	158	97 Å²	97	74%	0.738	57%	0.574	S	S	*	*			trans	-144.5	138.3	-178.4	-170.7	178.8	5.3	0	0	109.3
111	G	84.1	Confident	85.1	Confident	17 Å²	17	95.2 Å²	95.2	18%	0.175	56%	0.562	C	S	.	*			trans	-68.5	135.3	171.7	0	0	0	0	0	111.1
112	V	86	Confident	85.2	Confident	134 Å²	134	89.3 Å²	89.3	81%	0.812	54%	0.537	S	S	*	.			trans	-110.9	123.7	175.1	-68.9	0	0	0	0	109.8
113	G	82.2	Confident	85.3	Confident	52 Å²	52	87.9 Å²	87.9	54%	0.536	53%	0.532	S	S	.	.	S	Bend	trans	119.6	169.6	177.1	0	0	0	0	0	114.5
114	P	79.5	Confident	85.4	Confident	138 Å²	138	84.1 Å²	84.1	90%	0.896	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	133.4	-176.9	27.5	-33.2	0	0	0	111.3	C116	P114-C116 PolarHBondContact O-N 3.39Å
115	G	74.4	Confident	85.4	Confident	70 Å²	70	82.3 Å²	82.3	72%	0.722	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	7	177.3	0	0	0	0	0	115.2	T117	G115-T117 PolarHBondContact O-N 3.32Å
116	C	80.6	Confident	85.5	Confident	63 Å²	63	84.1 Å²	84.1	43%	0.426	53%	0.53	S	S	.	.			trans	-77.3	104.9	168.3	-102.9	0	0	0	0	109.3	P114	P114-C116 PolarHBondContact O-N 3.39Å
117	T	86.3	Confident	85.2	Confident	62 Å²	62	83.9 Å²	83.9	38%	0.38	53%	0.53	S	S	.	.			trans	-99.1	163.9	168.1	68.8	0	0	0	0	110	G115 E119 T120 L121	G115-T117 PolarHBondContact O-N 3.32Å; T117-E119 WeakPolarHBondContact CB-OE2 3.48Å; T117-E119 PolarHBondContact O-N 2.97Å; T117-E119 PolarHBondContact OG1-OE2 2.76Å; T117-T120 WeakPolarHBondContact CA-OG1 3.12Å; T117-T120 PolarHBondContact N-OG1 3.19Å; T117-T120 PolarHBondContact O-N 2.95Å; T117-T120 PolarHBondContact O-OG1 3.24Å; T117-T120 PolarHBondContact OG1-N 3.27Å; T117-T120 PolarHBondContact OG1-OG1 2.91Å; T117-L121 PolarHBondContact O-N 3.08Å; T117-L121 VanDerWaalsContact O-N 3.1Å
118	D	87.4	Confident	85.2	Confident	83 Å²	83	77.5 Å²	77.5	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-58.8	-38.1	175	-70.2	-6	0	0	0	110.8	L105 T120 L121 L122	L105-D118 HydrophobicContact CD1-CB 3.97Å; L105-D118 WeakPolarHBondContact CD1-O 3.5Å; D118-T120 PolarHBondContact O-N 2.81Å; D118-L121 PolarHBondContact O-N 2.8Å; D118-L122 VanDerWaalsContact O-CG 3.31Å; D118-L122 WeakPolarHBondContact O-CG 3.5Å; D118-L122 PolarHBondContact O-N 3.07Å
119	E	85.1	Confident	85	Confident	129 Å²	129	80.4 Å²	80.4	60%	0.603	51%	0.513	S	S	*	.	H	α-helix	trans	-66.3	-39.5	179.1	-47.7	97.6	178.6	0	0	112.8	T117 L121 L122 S123	T117-E119 WeakPolarHBondContact CB-OE2 3.48Å; T117-E119 PolarHBondContact O-N 2.97Å; T117-E119 PolarHBondContact OG1-OE2 2.76Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L122 PolarHBondContact O-N 3.31Å; E119-S123 WeakPolarHBondContact O-CB 3.14Å; E119-S123 PolarHBondContact O-N 3.22Å
120	T	85.5	Confident	83.6	Confident	70 Å²	70	87.3 Å²	87.3	43%	0.429	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-37.4	178.5	34.7	0	0	0	0	111.4	T117 D118 S123 A124	T117-T120 WeakPolarHBondContact CA-OG1 3.12Å; T117-T120 PolarHBondContact N-OG1 3.19Å; T117-T120 PolarHBondContact O-N 2.95Å; T117-T120 PolarHBondContact O-OG1 3.24Å; T117-T120 PolarHBondContact OG1-N 3.27Å; T117-T120 PolarHBondContact OG1-OG1 2.91Å; D118-T120 PolarHBondContact O-N 2.81Å; T120-S123 PolarHBondContact O-N 3.05Å; T120-A124 PolarHBondContact O-N 3.07Å
121	L	88.9	Confident	83.3	Confident	35 Å²	35	83.8 Å²	83.8	18%	0.183	53%	0.532	C	S	.	.	H	α-helix	trans	-68.2	-42.9	175.3	-175.6	52.1	0	0	0	112	L105 L109 T117 D118 E119 S123 A124 I125	L105-L121 HydrophobicContact CD2-CD2 3.41Å; L105-L121 VanDerWaalsContact CD2-CD2 3.41Å; L105-L121 HydrophobicContact CD2-CG 4.06Å; L109-L121 HydrophobicContact CG-CD2 4.31Å; T117-L121 PolarHBondContact O-N 3.08Å; T117-L121 VanDerWaalsContact O-N 3.1Å; D118-L121 PolarHBondContact O-N 2.8Å; E119-L121 VanDerWaalsContact C-N 3.34Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 3.15Å; L121-A124 PolarHBondContact O-N 3.4Å; L121-I125 HydrophobicContact CD1-CD1 4.31Å; L121-I125 HydrophobicContact CD1-CG1 4.46Å; L121-I125 HydrophobicContact CG-CD1 4.17Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 2.94Å
122	L	89.4	Confident	83.3	Confident	33 Å²	33	87.3 Å²	87.3	17%	0.173	55%	0.551	C	S	.	*	H	α-helix	trans	-59.8	-44	173.5	-72.2	179.6	0	0	0	112.3	M103 L105 D118 E119 A124 I125 A126	M103-L122 HydrophobicContact CB-CD1 4.03Å; M103-L122 HydrophobicContact CE-CD1 3.99Å; M103-L122 HydrophobicContact CE-CD2 3.21Å; M103-L122 HydrophobicContact CE-CG 4.1Å; M103-L122 HydrophobicContact CG-CD1 4.38Å; M103-L122 WeakPolarHBondContact O-CD1 3.2Å; L105-L122 HydrophobicContact CD1-CD1 3.99Å; L105-L122 HydrophobicContact CD1-CD2 3.33Å; L105-L122 HydrophobicContact CD1-CG 3.32Å; L105-L122 HydrophobicContact CG-CD2 4.22Å; D118-L122 VanDerWaalsContact O-CG 3.31Å; D118-L122 WeakPolarHBondContact O-CG 3.5Å; D118-L122 PolarHBondContact O-N 3.07Å; E119-L122 PolarHBondContact O-N 3.31Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 3.31Å; L122-I125 PolarHBondContact O-N 2.89Å; L122-A126 WeakPolarHBondContact O-CB 3.46Å; L122-A126 PolarHBondContact O-N 3.49Å
123	S	85	Confident	83.1	Confident	76 Å²	76	84.7 Å²	84.7	53%	0.531	54%	0.537	S	S	.	.	H	α-helix	trans	-60.4	-42	177.1	-176.3	0	0	0	0	111.8	E119 T120 L121 S127	E119-S123 WeakPolarHBondContact O-CB 3.14Å; E119-S123 PolarHBondContact O-N 3.22Å; T120-S123 PolarHBondContact O-N 3.05Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 3.15Å; S123-S127 WeakPolarHBondContact O-CB 3.49Å; S123-S127 PolarHBondContact O-N 2.65Å; S123-S127 PolarHBondContact O-OG 2.85Å
124	A	86.1	Confident	83.2	Confident	55 Å²	55	86.6 Å²	86.6	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-43.4	176.1	0	0	0	0	0	112.5	T120 L121 L122 S127 A128	T120-A124 PolarHBondContact O-N 3.07Å; L121-A124 PolarHBondContact O-N 3.4Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 3.31Å; A124-S127 PolarHBondContact O-N 2.73Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.44Å
125	I	87.7	Confident	83.4	Confident	63 Å²	63	83.4 Å²	83.4	32%	0.323	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-49.2	177	-66.1	164.6	0	0	0	110.3	L109 L121 L122 S127 A128 L129	L109-I125 HydrophobicContact CD2-CD1 3.78Å; L121-I125 HydrophobicContact CD1-CD1 4.31Å; L121-I125 HydrophobicContact CD1-CG1 4.46Å; L121-I125 HydrophobicContact CG-CD1 4.17Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 2.94Å; L122-I125 PolarHBondContact O-N 2.89Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.02Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-A128 VanDerWaalsContact O-N 3.12Å; I125-L129 HydrophobicContact CG2-CD1 3.9Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.33Å; I125-L129 PolarHBondContact O-N 2.8Å; I125-L129 VanDerWaalsContact O-N 3.08Å
126	A	87.1	Confident	84	Confident	60 Å²	60	84.3 Å²	84.3	50%	0.496	50%	0.501	S	S	.	.	H	α-helix	trans	-58.6	-41.2	178.6	0	0	0	0	0	111.8	L122 A128 L129	L122-A126 WeakPolarHBondContact O-CB 3.46Å; L122-A126 PolarHBondContact O-N 3.49Å; A126-A128 VanDerWaalsContact C-N 3.34Å; A126-A128 PolarHBondContact O-N 3.39Å; A126-L129 PolarHBondContact O-N 3.35Å
127	S	83.3	Confident	84.3	Confident	80 Å²	80	85.9 Å²	85.9	56%	0.559	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-33.1	177.3	-58.8	0	0	0	0	113	S123 A124 I125	S123-S127 WeakPolarHBondContact O-CB 3.49Å; S123-S127 PolarHBondContact O-N 2.65Å; S123-S127 PolarHBondContact O-OG 2.85Å; A124-S127 PolarHBondContact O-N 2.73Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.02Å
128	A	87.6	Confident	84.1	Confident	84 Å²	84	87.7 Å²	87.7	69%	0.694	52%	0.516	S	S	*	.	H	α-helix	trans	-79	-21.1	179	0	0	0	0	0	113.5	A124 I125 A126 H130	A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.44Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-A128 VanDerWaalsContact O-N 3.12Å; A126-A128 VanDerWaalsContact C-N 3.34Å; A126-A128 PolarHBondContact O-N 3.39Å; A128-H130 VanDerWaalsContact C-N 3.34Å
129	L	84.6	Confident	83.9	Confident	147 Å²	147	88.1 Å²	88.1	77%	0.77	52%	0.522	S	S	*	.			trans	-81.9	-12.1	177.4	-70.9	171.7	0	0	0	113.4	I125 A126	I125-L129 HydrophobicContact CG2-CD1 3.9Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.33Å; I125-L129 PolarHBondContact O-N 2.8Å; I125-L129 VanDerWaalsContact O-N 3.08Å; A126-L129 PolarHBondContact O-N 3.35Å
130	H	56.3	Low	83.8	Confident	225 Å²	225	84.4 Å²	84.4	100%	1.042	51%	0.514	S	S	*	.			trans	-108	0	-174.4	-159.5	-54	0	0	0	112.4	A128	A128-H130 VanDerWaalsContact C-N 3.34Å

Retrieved 130 of 130 residues in 79.7 ms (Link to these results)

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