A0A087WSS3_MOUSE Loading...

Delta like non-canonical Notch ligand 2

AlphaFold DB , UniProt , Accession A0A087WSS3, Species MOUSE (Mus musculus, Mouse), Gene Dlk2, Length 108 aa.

						>A0A087WSS3_MOUSE|A0A087WSS3|Dlk2
MKITMRVSVPLSPRQAASQPVPSHRCLHVWPFIRPSLLRPELTMPSGCRCLNLVCLLCILGATSQPARADDCSSHCDLAHGCCAPDGSCRCDPGWEGLHCERCVRMPG
					

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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	42	Very low	46.7	Very low	238 Å²	238	158.5 Å²	158.5	100%	1.172	83%	0.828	S	S	*	*				0	108.7	0	-71.5	152.5	167.8	0	0	107.6	I3	M1-I3 PolarHBondContact O-N 3.39Å
2	K	45.1	Very low	46.1	Very low	209 Å²	209	154.2 Å²	154.2	91%	0.909	82%	0.821	S	S	*	*			trans	-80.2	110	179	-80.3	175.9	174.6	171.1	0	108	T4	K2-T4 PolarHBondContact O-N 3.09Å
3	I	47.9	Very low	45.7	Very low	152 Å²	152	148.8 Å²	148.8	78%	0.779	80%	0.8	S	S	*	*			trans	-79.3	101.5	177.3	-62.7	157.3	0	0	0	106.7	M1 M5	M1-I3 PolarHBondContact O-N 3.39Å; I3-M5 PolarHBondContact O-N 3.24Å; I3-M5 VanDerWaalsContact O-N 3.09Å
4	T	51.4	Low	45.6	Very low	120 Å²	120	155.1 Å²	155.1	74%	0.736	81%	0.806	S	S	*	*			trans	-70.5	100.7	173.7	-46.4	0	0	0	0	108.2	K2 R6	K2-T4 PolarHBondContact O-N 3.09Å; T4-R6 PolarHBondContact O-N 3.02Å
5	M	43.6	Very low	45.3	Very low	168 Å²	168	155.7 Å²	155.7	83%	0.828	80%	0.804	S	S	*	*			trans	-67.3	102.7	167.8	-71	-167.2	96.8	0	0	107.9	I3 V7	I3-M5 PolarHBondContact O-N 3.24Å; I3-M5 VanDerWaalsContact O-N 3.09Å; M5-V7 PolarHBondContact O-N 3.09Å; M5-V7 VanDerWaalsContact O-N 3.09Å
6	R	56.8	Low	45.2	Very low	225 Å²	225	152 Å²	152	85%	0.849	80%	0.803	S	S	*	*			trans	-68.1	104.6	164.9	-75.1	-176.1	179.8	158.4	-0.1	106.8	T4 S8	T4-R6 PolarHBondContact O-N 3.02Å; R6-S8 VanDerWaalsContact C-N 3.27Å; R6-S8 PolarHBondContact O-N 2.95Å
7	V	46.9	Very low	45.2	Very low	129 Å²	129	148.3 Å²	148.3	78%	0.782	80%	0.799	S	S	*	*			trans	-66.9	95.4	165.2	178.5	0	0	0	0	105.9	M5 V9	M5-V7 PolarHBondContact O-N 3.09Å; M5-V7 VanDerWaalsContact O-N 3.09Å; V7-V9 VanDerWaalsContact C-N 3.32Å; V7-V9 PolarHBondContact O-N 2.94Å
8	S	44.2	Very low	45.1	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	80%	0.8	S	S	*	*			trans	-66.6	95.6	171.1	-58.5	0	0	0	0	107.3	R6 P10	R6-S8 VanDerWaalsContact C-N 3.27Å; R6-S8 PolarHBondContact O-N 2.95Å; S8-P10 WeakPolarHBondContact O-CD 3.34Å
9	V	51	Low	44.6	Very low	118 Å²	118	148.2 Å²	148.2	72%	0.715	80%	0.802	S	S	*	*			trans	-56.9	118.7	163.5	178.3	0	0	0	0	105.7	V7 L11	V7-V9 VanDerWaalsContact C-N 3.32Å; V7-V9 PolarHBondContact O-N 2.94Å; V9-L11 PolarHBondContact O-N 2.96Å
10	P	40.8	Very low	44.4	Very low	109 Å²	109	147.1 Å²	147.1	71%	0.708	80%	0.802	S	S	*	*			trans	-64.8	111.8	175.4	25	-29.1	0	0	0	107	S8 S12	S8-P10 WeakPolarHBondContact O-CD 3.34Å; P10-S12 PolarHBondContact O-N 2.86Å
11	L	44	Very low	44.4	Very low	170 Å²	170	146.3 Å²	146.3	89%	0.89	80%	0.802	S	S	*	*			trans	-51.3	111	161.2	-88.2	148.1	0	0	0	106.4	V9	V9-L11 PolarHBondContact O-N 2.96Å
12	S	39.2	Very low	45	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	78%	0.783	S	S	*	*			trans	-45.2	119.8	-175.3	-168.4	0	0	0	0	109.9	P10 R14	P10-S12 PolarHBondContact O-N 2.86Å; S12-R14 PolarHBondContact O-N 2.98Å; S12-R14 VanDerWaalsContact O-N 3.09Å
13	P	40.6	Very low	45	Very low	84 Å²	84	133.9 Å²	133.9	55%	0.545	76%	0.762	S	S	.	*			trans	-61.7	120.7	172.2	25.2	-30	0	0	0	106.5	Q15	P13-Q15 HydrophobicContact CB-CG 4.17Å; P13-Q15 HydrophobicContact CG-CG 4.22Å; P13-Q15 PolarHBondContact O-N 3.22Å
14	R	44.8	Very low	45.1	Very low	237 Å²	237	133.6 Å²	133.6	89%	0.894	76%	0.757	S	S	*	*			trans	-55.9	84.7	157.6	-74.1	-175.4	90.6	-129.7	8.6	106.7	S12 A16	S12-R14 PolarHBondContact O-N 2.98Å; S12-R14 VanDerWaalsContact O-N 3.09Å; R14-A16 PolarHBondContact O-N 3.34Å
15	Q	41.5	Very low	45.4	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	74%	0.744	S	S	*	*			trans	-75.9	81.1	168.5	-75.6	179.5	-92.8	0	0	106.6	P13 A17	P13-Q15 HydrophobicContact CB-CG 4.17Å; P13-Q15 HydrophobicContact CG-CG 4.22Å; P13-Q15 PolarHBondContact O-N 3.22Å; Q15-A17 PolarHBondContact O-N 3.21Å
16	A	43.8	Very low	46.1	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	71%	0.714	S	S	*	*			trans	-59	87.2	151.8	0	0	0	0	0	108	R14	R14-A16 PolarHBondContact O-N 3.34Å
17	A	44.1	Very low	45.8	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	71%	0.711	S	S	*	*			trans	-167	78.3	164.4	0	0	0	0	0	110.5	Q15	Q15-A17 PolarHBondContact O-N 3.21Å
18	S	43.7	Very low	46.3	Very low	115 Å²	115	124.9 Å²	124.9	80%	0.804	71%	0.708	S	S	*	*			trans	-152.1	97.9	152.9	53.9	0	0	0	0	108.4
19	Q	35.6	Very low	46.7	Very low	180 Å²	180	126.5 Å²	126.5	84%	0.841	71%	0.714	S	S	*	*			trans	-52.7	152.6	164.3	-66.2	-177.8	-83.1	0	0	109.8	V21	Q19-V21 PolarHBondContact O-N 2.89Å; Q19-V21 VanDerWaalsContact O-N 3.13Å
20	P	40.8	Very low	46	Very low	125 Å²	125	129.1 Å²	129.1	81%	0.812	71%	0.711	S	S	*	*			trans	-72	111.2	-167	28.8	-32.5	0	0	0	110	P22	P20-P22 WeakPolarHBondContact O-CD 3.48Å
21	V	45.3	Very low	46.1	Very low	131 Å²	131	129 Å²	129	79%	0.794	71%	0.71	S	S	*	*			trans	-99.9	109.9	166.1	168.1	0	0	0	0	108.4	Q19 S23	Q19-V21 PolarHBondContact O-N 2.89Å; Q19-V21 VanDerWaalsContact O-N 3.13Å; V21-S23 PolarHBondContact O-N 3.46Å
22	P	53.1	Low	46.1	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	70%	0.703	S	S	*	*			trans	-85.5	115.4	-178.2	32.7	-28	0	0	0	108.6	P20	P20-P22 WeakPolarHBondContact O-CD 3.48Å
23	S	45.6	Very low	46.6	Very low	67 Å²	67	130.1 Å²	130.1	47%	0.469	70%	0.699	S	S	.	*			trans	-139.6	84.3	168.3	-116.4	0	0	0	0	107.5	V21 R25	V21-S23 PolarHBondContact O-N 3.46Å; S23-R25 VanDerWaalsContact C-N 3.31Å; S23-R25 PolarHBondContact O-N 3Å
24	H	50.9	Low	46.9	Very low	146 Å²	146	136.1 Å²	136.1	68%	0.676	71%	0.711	S	S	*	*			trans	51.5	44.5	151.2	24.1	-99.2	0	0	0	114.8	C26 L27	H24-C26 PolarHBondContact O-N 3.33Å; H24-L27 HydrophobicContact CB-CD1 3.89Å
25	R	57.2	Low	47	Very low	122 Å²	122	130.5 Å²	130.5	46%	0.46	71%	0.706	S	S	.	*	S	Bend	trans	-65.9	63.8	-168.8	-127.3	-162.2	-166.7	-173.1	17.3	113.2	S23 L78 A79 G81 C82 D92	S23-R25 VanDerWaalsContact C-N 3.31Å; S23-R25 PolarHBondContact O-N 3Å; R25-L78 PolarHBondContact NH1-O 2.98Å; R25-A79 PolarHBondContact NH2-O 3.49Å; R25-G81 PolarHBondContact NH1-O 2.79Å; R25-C82 HydrophobicContact CB-CB 4.24Å; R25-C82 HydrophobicContact CG-CB 3.9Å; R25-C82 VanDerWaalsContact O-CB 3.25Å; R25-C82 WeakPolarHBondContact O-CB 3.34Å; R25-C82 PolarHBondContact O-SG 2.82Å; R25-C82 VanDerWaalsContact O-SG 3.39Å; R25-D92 IonicContact CZ-OD1 3.9Å; R25-D92 IonicContact CZ-OD2 3.78Å; R25-D92 VanDerWaalsContact CZ-OD2 3.23Å; R25-D92 IonicContact NE-OD1 3.48Å; R25-D92 PolarHBondContact NE-OD1 3.41Å; R25-D92 IonicContact NE-OD2 3.03Å; R25-D92 PolarHBondContact NE-OD2 3.49Å; R25-D92 IonicContact NH2-OD1 3.76Å; R25-D92 IonicContact NH2-OD2 3.31Å; R25-D92 PolarHBondContact NH2-OD2 2.96Å
26	C	57.5	Low	47.4	Very low	30 Å²	30	126.9 Å²	126.9	20%	0.203	70%	0.699	C	S	.	*	S	Bend	trans	73.2	105.8	-167.1	-56.9	0	0	0	0	110.4	H24 H28 C82 C83	H24-C26 PolarHBondContact O-N 3.33Å; C26-H28 PolarHBondContact O-N 2.9Å; C26-C82 HydrophobicContact CB-CB 3.94Å; C26-C82 WeakPolarHBondContact CB-SG 3.46Å; C26-C82 PolarHBondContact N-SG 3.27Å; C26-C82 VanDerWaalsContact SG-C 3.59Å; C26-C82 WeakPolarHBondContact SG-CB 3.16Å; C26-C82 CovalentContact SG-SG 2.07Å; C26-C82 PolarHBondContact SG-SG 3.09Å; C26-C83 VanDerWaalsContact CB-O 3.23Å; C26-C83 WeakPolarHBondContact CB-O 3.02Å; C26-C83 PolarHBondContact SG-O 2.88Å
27	L	51.1	Low	47.9	Very low	148 Å²	148	130.2 Å²	130.2	78%	0.775	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	18.2	-165.3	-118	106.9	0	0	0	118	H24	H24-L27 HydrophobicContact CB-CD1 3.89Å
28	H	58.1	Low	48.1	Very low	159 Å²	159	133.2 Å²	133.2	74%	0.736	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	21.1	-167.9	-96.8	-85.6	0	0	0	117.2	C26	C26-H28 PolarHBondContact O-N 2.9Å
29	V	52.1	Low	48.7	Very low	140 Å²	140	139.4 Å²	139.4	85%	0.848	71%	0.711	S	S	*	*	S	Bend	trans	-110.1	47.3	161.5	178.4	0	0	0	0	111.4
30	W	36.9	Very low	49.2	Very low	174 Å²	174	135 Å²	135	66%	0.659	70%	0.697	S	S	*	*			trans	-148	112.2	149.4	-158.8	-91.5	0	0	0	107.6	F32	W30-F32 HydrophobicContact CB-CD2 3.83Å; W30-F32 HydrophobicContact CB-CE2 4.09Å; W30-F32 VanDerWaalsContact CD1-CA 3.42Å; W30-F32 AromaticContact CD1-CD1 3.97Å; W30-F32 AromaticContact CD1-CD2 3.4Å; W30-F32 AromaticContact CD1-CE2 3.84Å; W30-F32 AromaticContact CD1-CG 3.47Å; W30-F32 VanDerWaalsContact CD1-CG 3.47Å; W30-F32 VanDerWaalsContact CD1-N 3.34Å; W30-F32 AromaticContact CG-CD2 3.88Å; W30-F32 HydrophobicContact CG-CD2 3.88Å; W30-F32 HydrophobicContact CG-CE2 4.08Å; W30-F32 HydrophobicContact CG-CG 4.37Å; W30-F32 PolarHBondContact O-N 2.03Å
31	P	41.4	Very low	49.3	Very low	107 Å²	107	135.5 Å²	135.5	70%	0.695	69%	0.689	S	S	*	*			trans	-63.2	96.6	154.2	29.4	-26.5	0	0	0	104.2	I33	P31-I33 HydrophobicContact CB-CG1 4.36Å; P31-I33 PolarHBondContact O-N 2.04Å
32	F	44.3	Very low	49.4	Very low	166 Å²	166	136.3 Å²	136.3	73%	0.728	69%	0.688	S	S	*	*			trans	-67.8	65.1	165.8	-99.2	-83.3	0	0	0	107.1	W30 R34	W30-F32 HydrophobicContact CB-CD2 3.83Å; W30-F32 HydrophobicContact CB-CE2 4.09Å; W30-F32 VanDerWaalsContact CD1-CA 3.42Å; W30-F32 AromaticContact CD1-CD1 3.97Å; W30-F32 AromaticContact CD1-CD2 3.4Å; W30-F32 AromaticContact CD1-CE2 3.84Å; W30-F32 AromaticContact CD1-CG 3.47Å; W30-F32 VanDerWaalsContact CD1-CG 3.47Å; W30-F32 VanDerWaalsContact CD1-N 3.34Å; W30-F32 AromaticContact CG-CD2 3.88Å; W30-F32 HydrophobicContact CG-CD2 3.88Å; W30-F32 HydrophobicContact CG-CE2 4.08Å; W30-F32 HydrophobicContact CG-CG 4.37Å; W30-F32 PolarHBondContact O-N 2.03Å; F32-R34 PolarHBondContact O-N 3.5Å
33	I	50.6	Low	49.2	Very low	132 Å²	132	135.3 Å²	135.3	68%	0.677	68%	0.68	S	S	*	*			trans	-67	90.2	148.3	-53.2	-65.2	0	0	0	103.5	P31 P35	P31-I33 HydrophobicContact CB-CG1 4.36Å; P31-I33 PolarHBondContact O-N 2.04Å; I33-P35 WeakPolarHBondContact O-CD 3.25Å; I33-P35 VanDerWaalsContact O-N 3.13Å
34	R	45.8	Very low	49.5	Very low	210 Å²	210	139.6 Å²	139.6	79%	0.792	70%	0.695	S	S	*	*			trans	-55.6	111.3	158	-85.4	178.8	158	-166.5	-4.7	106	F32 S36	F32-R34 PolarHBondContact O-N 3.5Å; R34-S36 PolarHBondContact O-N 3.43Å
35	P	47.1	Very low	49.7	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	51.2	-177.3	34.9	-31.5	0	0	0	110	I33	I33-P35 WeakPolarHBondContact O-CD 3.25Å; I33-P35 VanDerWaalsContact O-N 3.13Å
36	S	50.3	Low	49.9	Very low	89 Å²	89	137.8 Å²	137.8	62%	0.622	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.8	11.1	-165.7	-47.1	0	0	0	0	117.5	R34	R34-S36 PolarHBondContact O-N 3.43Å
37	L	54	Low	49.9	Very low	166 Å²	166	138 Å²	138	87%	0.869	72%	0.722	S	S	*	*	S	Bend	trans	-151.2	68.5	167.9	-74.5	179.9	0	0	0	112.4
38	L	48.3	Very low	50.3	Low	151 Å²	151	136.7 Å²	136.7	79%	0.791	72%	0.724	S	S	*	*			trans	-168.7	99.1	135.1	-139.7	62.8	0	0	0	107.8	P40	L38-P40 HydrophobicContact CD2-CG 4.09Å; L38-P40 HydrophobicContact CG-CG 4.15Å; L38-P40 WeakPolarHBondContact O-CD 3.34Å
39	R	56.2	Low	50.3	Low	246 Å²	246	139.5 Å²	139.5	93%	0.928	73%	0.728	S	S	*	*			trans	-73.5	104.7	134.6	-91.4	-157.4	-171.4	-159.8	6.3	104.9
40	P	45.7	Very low	50.6	Low	86 Å²	86	137.1 Å²	137.1	56%	0.558	72%	0.716	S	S	*	*			trans	-81.9	108.3	132.9	29.6	-15.7	0	0	0	104.6	L38 L42	L38-P40 HydrophobicContact CD2-CG 4.09Å; L38-P40 HydrophobicContact CG-CG 4.15Å; L38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-L42 PolarHBondContact O-N 2.78Å; P40-L42 VanDerWaalsContact O-N 3.14Å
41	E	43.4	Very low	51.9	Low	136 Å²	136	134.8 Å²	134.8	64%	0.636	72%	0.716	S	S	*	*			trans	-11	113.1	142.4	-142.6	-82.3	103.4	0	0	110.3	T43	E41-T43 PolarHBondContact O-N 3.32Å; E41-T43 WeakPolarHBondContact OE2-CB 3.29Å; E41-T43 PolarHBondContact OE2-OG1 2.78Å
42	L	47.5	Very low	53.1	Low	148 Å²	148	134.5 Å²	134.5	78%	0.775	71%	0.709	S	S	*	*			trans	-69.6	62.2	169.3	-78.3	167	0	0	0	107.8	P40 M44	P40-L42 PolarHBondContact O-N 2.78Å; P40-L42 VanDerWaalsContact O-N 3.14Å; L42-M44 VanDerWaalsContact C-N 3.31Å; L42-M44 PolarHBondContact O-N 2.89Å; L42-M44 VanDerWaalsContact O-N 3.1Å
43	T	49.9	Very low	54.1	Low	98 Å²	98	131.8 Å²	131.8	60%	0.601	70%	0.701	S	S	*	*			trans	-67	105.9	151.6	-127.6	0	0	0	0	103.5	E41 P45	E41-T43 PolarHBondContact O-N 3.32Å; E41-T43 WeakPolarHBondContact OE2-CB 3.29Å; E41-T43 PolarHBondContact OE2-OG1 2.78Å; T43-P45 VanDerWaalsContact C-CD 3.48Å; T43-P45 WeakPolarHBondContact O-CD 3.04Å
44	M	52.1	Low	55.1	Low	158 Å²	158	129.8 Å²	129.8	78%	0.778	70%	0.695	S	S	*	*			trans	-78.8	96.1	168.6	-87.1	-96.2	154.8	0	0	106.9	L42 S46	L42-M44 VanDerWaalsContact C-N 3.31Å; L42-M44 PolarHBondContact O-N 2.89Å; L42-M44 VanDerWaalsContact O-N 3.1Å; M44-S46 PolarHBondContact O-N 3.31Å; M44-S46 VanDerWaalsContact O-N 3.13Å
45	P	54.1	Low	56	Low	105 Å²	105	123.1 Å²	123.1	68%	0.682	68%	0.68	S	S	*	*			trans	-72.2	111.5	160.2	31.2	-31.7	0	0	0	106.1	T43 G47	T43-P45 VanDerWaalsContact C-CD 3.48Å; T43-P45 WeakPolarHBondContact O-CD 3.04Å; P45-G47 PolarHBondContact O-N 2.83Å
46	S	62.1	Low	57	Low	125 Å²	125	121.5 Å²	121.5	87%	0.874	66%	0.664	S	S	*	*	S	Bend	trans	-27.7	96.9	154.7	157.6	0	0	0	0	111	M44	M44-S46 PolarHBondContact O-N 3.31Å; M44-S46 VanDerWaalsContact O-N 3.13Å
47	G	58	Low	57.9	Low	34 Å²	34	123 Å²	123	35%	0.351	67%	0.665	S	S	.	*			trans	-159.8	39.3	-171.8	0	0	0	0	0	111.8	P45 R49 C50	P45-G47 PolarHBondContact O-N 2.83Å; G47-R49 PolarHBondContact O-N 3.06Å; G47-C50 PolarHBondContact O-N 3.48Å; G47-C50 VanDerWaalsContact O-N 3.09Å
48	C	59.3	Low	58.4	Low	121 Å²	121	119 Å²	119	82%	0.818	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	4.2	-172.7	-64.4	0	0	0	0	116.3
49	R	58.4	Low	59.2	Low	217 Å²	217	118.2 Å²	118.2	82%	0.819	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-31.3	174.7	-70.8	-174.6	158.6	-161.6	-6	113.4	G47 N52 L53	G47-R49 PolarHBondContact O-N 3.06Å; R49-N52 PolarHBondContact O-N 2.8Å; R49-L53 PolarHBondContact O-N 2.91Å
50	C	58.1	Low	59.7	Low	90 Å²	90	112.5 Å²	112.5	61%	0.608	63%	0.632	S	S	*	*	H	α-helix	trans	-73.4	-37	179.6	-52.4	0	0	0	0	111.2	G47 N52 L53 V54	G47-C50 PolarHBondContact O-N 3.48Å; G47-C50 VanDerWaalsContact O-N 3.09Å; C50-N52 VanDerWaalsContact C-N 3.29Å; C50-N52 PolarHBondContact O-N 2.77Å; C50-L53 PolarHBondContact O-N 2.69Å; C50-V54 WeakPolarHBondContact O-CG2 3.06Å; C50-V54 PolarHBondContact O-N 2.94Å
51	L	63.8	Low	60.5	Low	126 Å²	126	110.5 Å²	110.5	66%	0.66	63%	0.627	S	S	*	*	H	α-helix	trans	-61.8	-38.5	175	-130.7	77.9	0	0	0	111.7	V54 C55	L51-V54 PolarHBondContact O-N 3.14Å; L51-C55 VanDerWaalsContact O-CB 3.31Å; L51-C55 WeakPolarHBondContact O-CB 2.99Å; L51-C55 PolarHBondContact O-N 3.08Å; L51-C55 PolarHBondContact O-SG 2.03Å
52	N	66.7	Low	61	Low	100 Å²	100	107.4 Å²	107.4	54%	0.535	63%	0.625	S	S	.	*	H	α-helix	trans	-67.5	-43.1	-179.2	-163.5	-78.1	0	0	0	111.8	R49 C50 C55 L56	R49-N52 PolarHBondContact O-N 2.8Å; C50-N52 VanDerWaalsContact C-N 3.29Å; C50-N52 PolarHBondContact O-N 2.77Å; N52-C55 PolarHBondContact O-N 3.12Å; N52-L56 WeakPolarHBondContact O-CB 3.15Å; N52-L56 VanDerWaalsContact O-CG 3.31Å; N52-L56 WeakPolarHBondContact O-CG 3.02Å; N52-L56 PolarHBondContact O-N 2.87Å; N52-L56 VanDerWaalsContact OD1-CD1 3.25Å; N52-L56 WeakPolarHBondContact OD1-CD1 3.32Å
53	L	65.8	Low	61.3	Low	110 Å²	110	106 Å²	106	58%	0.576	62%	0.622	S	S	*	*	H	α-helix	trans	-64.6	-42.7	175.3	-100.5	154.2	0	0	0	112.6	R49 C50 L56 L57	R49-L53 PolarHBondContact O-N 2.91Å; C50-L53 PolarHBondContact O-N 2.69Å; L53-L56 PolarHBondContact O-N 2.86Å; L53-L57 HydrophobicContact CD2-CD1 4.37Å; L53-L57 VanDerWaalsContact O-CD1 3.3Å; L53-L57 WeakPolarHBondContact O-CD1 3.29Å; L53-L57 PolarHBondContact O-N 2.95Å
54	V	70.7	Confident	61.7	Low	90 Å²	90	106 Å²	106	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-65	-43.7	175.2	170.7	0	0	0	0	110.7	C50 L51 L56 L57 C58	C50-V54 WeakPolarHBondContact O-CG2 3.06Å; C50-V54 PolarHBondContact O-N 2.94Å; L51-V54 PolarHBondContact O-N 3.14Å; V54-L56 PolarHBondContact O-N 2.82Å; V54-L57 PolarHBondContact O-N 3.23Å; V54-C58 PolarHBondContact O-N 2.9Å; V54-C58 PolarHBondContact O-SG 2.65Å
55	C	65.3	Low	61.9	Low	70 Å²	70	106.4 Å²	106.4	47%	0.473	63%	0.626	S	S	.	*	H	α-helix	trans	-59.7	-45.2	173.6	-73.5	0	0	0	0	111.8	L51 N52 C58 I59	L51-C55 VanDerWaalsContact O-CB 3.31Å; L51-C55 WeakPolarHBondContact O-CB 2.99Å; L51-C55 PolarHBondContact O-N 3.08Å; L51-C55 PolarHBondContact O-SG 2.03Å; N52-C55 PolarHBondContact O-N 3.12Å; C55-C58 PolarHBondContact O-N 2.84Å; C55-I59 WeakPolarHBondContact O-CG1 3.36Å; C55-I59 PolarHBondContact O-N 2.96Å
56	L	68.3	Low	61.9	Low	85 Å²	85	107.1 Å²	107.1	45%	0.445	63%	0.631	S	S	.	*	H	α-helix	trans	-61.3	-43.7	175.9	-78.1	163	0	0	0	111.5	N52 L53 V54 C58 I59 L60	N52-L56 WeakPolarHBondContact O-CB 3.15Å; N52-L56 VanDerWaalsContact O-CG 3.31Å; N52-L56 WeakPolarHBondContact O-CG 3.02Å; N52-L56 PolarHBondContact O-N 2.87Å; N52-L56 VanDerWaalsContact OD1-CD1 3.25Å; N52-L56 WeakPolarHBondContact OD1-CD1 3.32Å; L53-L56 PolarHBondContact O-N 2.86Å; V54-L56 PolarHBondContact O-N 2.82Å; L56-C58 VanDerWaalsContact C-N 3.33Å; L56-C58 PolarHBondContact O-N 3.48Å; L56-I59 PolarHBondContact O-N 3.24Å; L56-L60 HydrophobicContact CB-CD1 4.43Å; L56-L60 HydrophobicContact CD2-CD1 4.28Å; L56-L60 WeakPolarHBondContact O-CB 3.18Å; L56-L60 WeakPolarHBondContact O-CD1 3.36Å; L56-L60 PolarHBondContact O-N 3.05Å
57	L	69.4	Low	61.4	Low	121 Å²	121	106 Å²	106	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-64.1	-35.2	174.4	-99.7	90.2	0	0	0	112.7	L53 V54 G61	L53-L57 HydrophobicContact CD2-CD1 4.37Å; L53-L57 VanDerWaalsContact O-CD1 3.3Å; L53-L57 WeakPolarHBondContact O-CD1 3.29Å; L53-L57 PolarHBondContact O-N 2.95Å; V54-L57 PolarHBondContact O-N 3.23Å; L57-G61 WeakPolarHBondContact O-CA 3.41Å; L57-G61 PolarHBondContact O-N 3.19Å
58	C	63.8	Low	61.1	Low	81 Å²	81	113.5 Å²	113.5	55%	0.547	65%	0.646	S	S	.	*	H	α-helix	trans	-69	-39.5	174.5	-68.4	0	0	0	0	111.8	V54 C55 L56 A62	V54-C58 PolarHBondContact O-N 2.9Å; V54-C58 PolarHBondContact O-SG 2.65Å; C55-C58 PolarHBondContact O-N 2.84Å; L56-C58 VanDerWaalsContact C-N 3.33Å; L56-C58 PolarHBondContact O-N 3.48Å; C58-A62 VanDerWaalsContact O-CB 3.25Å; C58-A62 WeakPolarHBondContact O-CB 3.14Å; C58-A62 PolarHBondContact O-N 3.31Å
59	I	64.4	Low	60.8	Low	135 Å²	135	112.5 Å²	112.5	69%	0.692	65%	0.647	S	S	*	*	H	α-helix	trans	-71.7	-41.6	179.3	-55.2	-111.2	0	0	0	110.4	C55 L56	C55-I59 WeakPolarHBondContact O-CG1 3.36Å; C55-I59 PolarHBondContact O-N 2.96Å; L56-I59 PolarHBondContact O-N 3.24Å
60	L	66.3	Low	60.6	Low	127 Å²	127	107.5 Å²	107.5	67%	0.665	64%	0.637	S	S	*	*	H	α-helix	trans	-77.2	-30.4	176.4	-83.2	91.6	0	0	0	112.8	L56	L56-L60 HydrophobicContact CB-CD1 4.43Å; L56-L60 HydrophobicContact CD2-CD1 4.28Å; L56-L60 WeakPolarHBondContact O-CB 3.18Å; L56-L60 WeakPolarHBondContact O-CD1 3.36Å; L56-L60 PolarHBondContact O-N 3.05Å
61	G	62.5	Low	60.8	Low	44 Å²	44	109.8 Å²	109.8	45%	0.454	64%	0.643	S	S	.	*	H	α-helix	trans	-83.6	-11.7	179.4	0	0	0	0	0	114.4	L57 T63	L57-G61 WeakPolarHBondContact O-CA 3.41Å; L57-G61 PolarHBondContact O-N 3.19Å; G61-T63 PolarHBondContact O-N 2.58Å
62	A	55.5	Low	60.9	Low	71 Å²	71	105.3 Å²	105.3	59%	0.587	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	13	174	0	0	0	0	0	114.3	C58 S64	C58-A62 VanDerWaalsContact O-CB 3.25Å; C58-A62 WeakPolarHBondContact O-CB 3.14Å; C58-A62 PolarHBondContact O-N 3.31Å; A62-S64 VanDerWaalsContact C-N 3.27Å
63	T	52.3	Low	60.9	Low	118 Å²	118	102.7 Å²	102.7	72%	0.724	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-4.4	171	53.4	0	0	0	0	113.2	G61 Q65	G61-T63 PolarHBondContact O-N 2.58Å; T63-Q65 PolarHBondContact O-N 2.87Å
64	S	58	Low	61.1	Low	97 Å²	97	103.5 Å²	103.5	68%	0.678	63%	0.626	S	S	*	*	S	Bend	trans	-75.1	82.9	161.1	65.2	0	0	0	0	108.8	A62 P66	A62-S64 VanDerWaalsContact C-N 3.27Å; S64-P66 WeakPolarHBondContact O-CD 3.49Å; S64-P66 VanDerWaalsContact O-N 3.12Å
65	Q	58	Low	61.5	Low	168 Å²	168	105.6 Å²	105.6	79%	0.785	63%	0.629	S	S	*	*			trans	-45.9	120.2	167.9	-67.3	173.1	-81.7	0	0	107.9	T63 A67	T63-Q65 PolarHBondContact O-N 2.87Å; Q65-A67 PolarHBondContact O-N 2.8Å; Q65-A67 VanDerWaalsContact O-N 3.11Å
66	P	53.4	Low	62.2	Low	120 Å²	120	103 Å²	103	78%	0.779	61%	0.612	S	S	*	*			trans	-56.4	124.7	162.4	24.3	-29.7	0	0	0	105.5	S64 R68	S64-P66 WeakPolarHBondContact O-CD 3.49Å; S64-P66 VanDerWaalsContact O-N 3.12Å; P66-R68 PolarHBondContact O-N 2.96Å
67	A	51.8	Low	62.8	Low	100 Å²	100	101.5 Å²	101.5	83%	0.826	60%	0.604	S	S	*	*			trans	-41.4	119.4	-178.9	0	0	0	0	0	108.6	Q65 A69	Q65-A67 PolarHBondContact O-N 2.8Å; Q65-A67 VanDerWaalsContact O-N 3.11Å; A67-A69 PolarHBondContact O-N 2.88Å; A67-A69 VanDerWaalsContact O-N 3.08Å
68	R	51.3	Low	63.3	Low	192 Å²	192	100.7 Å²	100.7	73%	0.725	60%	0.6	S	S	*	*			trans	-54	116	-168.4	-160.9	-175.4	175	173	-3.6	108.3	P66 D70	P66-R68 PolarHBondContact O-N 2.96Å; R68-D70 HydrophobicContact CG-CB 3.82Å; R68-D70 WeakPolarHBondContact CG-OD2 3.24Å; R68-D70 IonicContact CZ-OD2 2.84Å; R68-D70 IonicContact NE-OD2 3.23Å; R68-D70 PolarHBondContact NE-OD2 3.08Å; R68-D70 IonicContact NH2-OD2 2.58Å; R68-D70 PolarHBondContact O-N 3.04Å
69	A	53.2	Low	64.2	Low	100 Å²	100	99.8 Å²	99.8	83%	0.826	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	17.5	175.7	0	0	0	0	0	113	A67	A67-A69 PolarHBondContact O-N 2.88Å; A67-A69 VanDerWaalsContact O-N 3.08Å
70	D	54.3	Low	65.1	Low	113 Å²	113	95.9 Å²	95.9	60%	0.604	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-7.7	-172.7	-66.1	-47.8	0	0	0	113.7	R68 C72	R68-D70 HydrophobicContact CG-CB 3.82Å; R68-D70 WeakPolarHBondContact CG-OD2 3.24Å; R68-D70 IonicContact CZ-OD2 2.84Å; R68-D70 IonicContact NE-OD2 3.23Å; R68-D70 PolarHBondContact NE-OD2 3.08Å; R68-D70 IonicContact NH2-OD2 2.58Å; R68-D70 PolarHBondContact O-N 3.04Å; D70-C72 PolarHBondContact O-N 2.93Å; D70-C72 VanDerWaalsContact O-N 3.12Å
71	D	61.2	Low	65.8	Low	138 Å²	138	89.9 Å²	89.9	74%	0.738	55%	0.546	S	S	*	.			trans	-87.9	38.4	177.8	-124.1	-62	0	0	0	111.7	G87	D71-G87 WeakPolarHBondContact O-CA 3.05Å
72	C	66.4	Low	66.7	Low	31 Å²	31	88.7 Å²	88.7	21%	0.209	53%	0.53	C	S	.	.	S	Bend	trans	-74	142.2	164.5	-154.2	0	0	0	0	108.5	D70 S74 C83	D70-C72 PolarHBondContact O-N 2.93Å; D70-C72 VanDerWaalsContact O-N 3.12Å; C72-S74 PolarHBondContact O-N 3.01Å; C72-C83 WeakPolarHBondContact CA-SG 2.9Å; C72-C83 HydrophobicContact CB-CB 4.02Å; C72-C83 WeakPolarHBondContact CB-SG 3.35Å; C72-C83 WeakPolarHBondContact SG-CB 3.11Å; C72-C83 CovalentContact SG-SG 2.03Å; C72-C83 PolarHBondContact SG-SG 3.45Å
73	S	67.6	Low	67.8	Low	45 Å²	45	87.1 Å²	87.1	32%	0.315	52%	0.515	S	S	.	.			trans	-47.1	115.8	166.7	-178.7	0	0	0	0	108.3	H75 C76 H99	S73-H75 PolarHBondContact O-N 2.07Å; S73-C76 WeakPolarHBondContact O-CB 3.44Å; S73-C76 PolarHBondContact O-N 3.16Å; S73-H99 PolarHBondContact OG-CD2 3.09Å; S73-H99 PolarHBondContact OG-NE2 2.8Å
74	S	70.3	Confident	69	Low	128 Å²	128	82.1 Å²	82.1	90%	0.895	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-7	-163.7	58	0	0	0	0	114.2	C72	C72-S74 PolarHBondContact O-N 3.01Å
75	H	77.6	Confident	69.6	Low	133 Å²	133	83 Å²	83	62%	0.616	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	5	-178.2	-157.5	82.4	0	0	0	113.3	S73 D77 H99	S73-H75 PolarHBondContact O-N 2.07Å; H75-D77 PolarHBondContact O-N 3.39Å; H75-H99 AromaticContact CD2-CG 3.65Å; H75-H99 AromaticContact CD2-ND1 3.6Å; H75-H99 VanDerWaalsContact O-CB 3.25Å; H75-H99 WeakPolarHBondContact O-CB 3.31Å
76	C	80.3	Confident	70.3	Confident	16 Å²	16	80.5 Å²	80.5	11%	0.108	48%	0.481	C	S	.	.			trans	-59.3	123.3	179	-174.3	0	0	0	0	111.9	S73 L78 C89	S73-C76 WeakPolarHBondContact O-CB 3.44Å; S73-C76 PolarHBondContact O-N 3.16Å; C76-L78 PolarHBondContact O-N 3.24Å; C76-C89 VanDerWaalsContact CA-SG 3.6Å; C76-C89 HydrophobicContact CB-CB 3.71Å; C76-C89 WeakPolarHBondContact CB-SG 3.14Å; C76-C89 WeakPolarHBondContact SG-CB 3.23Å; C76-C89 CovalentContact SG-SG 2.03Å; C76-C89 PolarHBondContact SG-SG 3.36Å
77	D	81.9	Confident	71.4	Confident	53 Å²	53	75.9 Å²	75.9	28%	0.283	46%	0.455	S	S	.	.			trans	-76.5	94.4	176.3	-169.5	-13.9	0	0	0	110.5	H75 A79 H80 G81 H99 C100	H75-D77 PolarHBondContact O-N 3.39Å; D77-A79 PolarHBondContact O-N 3.13Å; D77-A79 WeakPolarHBondContact OD1-CA 3.12Å; D77-A79 WeakPolarHBondContact OD1-CB 3.46Å; D77-A79 PolarHBondContact OD1-N 3.11Å; D77-H80 VanDerWaalsContact CG-ND1 3.35Å; D77-H80 CarbonylContact O-C 3.46Å; D77-H80 PolarHBondContact O-N 2.92Å; D77-H80 IonicContact OD1-ND1 3.79Å; D77-H80 IonicContact OD2-CE1 3.89Å; D77-H80 PolarHBondContact OD2-CE1 2.63Å; D77-H80 IonicContact OD2-CG 3.76Å; D77-H80 IonicContact OD2-ND1 3.66Å; D77-H80 PolarHBondContact OD2-ND1 2.68Å; D77-G81 PolarHBondContact O-N 2.97Å; D77-H99 WeakPolarHBondContact CB-O 3.31Å; D77-H99 PolarHBondContact N-O 3.03Å; D77-C100 HydrophobicContact CB-CB 4.49Å
78	L	78.6	Confident	72.8	Confident	104 Å²	104	73 Å²	73	55%	0.545	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.5	178.1	-60	175.7	0	0	0	113.3	R25 C76 H80	R25-L78 PolarHBondContact NH1-O 2.98Å; C76-L78 PolarHBondContact O-N 3.24Å; L78-H80 VanDerWaalsContact C-N 3.29Å
79	A	82.9	Confident	74.3	Confident	62 Å²	62	65.1 Å²	65.1	51%	0.512	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-30.6	170.6	0	0	0	0	0	111	R25 D77	R25-A79 PolarHBondContact NH2-O 3.49Å; D77-A79 PolarHBondContact O-N 3.13Å; D77-A79 WeakPolarHBondContact OD1-CA 3.12Å; D77-A79 WeakPolarHBondContact OD1-CB 3.46Å; D77-A79 PolarHBondContact OD1-N 3.11Å
80	H	83.6	Confident	75.8	Confident	53 Å²	53	67.6 Å²	67.6	25%	0.245	39%	0.391	C	S	.	.	S	Bend	trans	-123.9	15.3	-173	-51.3	118.1	0	0	0	113.8	D77 L78 D92 W95 C100	D77-H80 VanDerWaalsContact CG-ND1 3.35Å; D77-H80 CarbonylContact O-C 3.46Å; D77-H80 PolarHBondContact O-N 2.92Å; D77-H80 IonicContact OD1-ND1 3.79Å; D77-H80 IonicContact OD2-CE1 3.89Å; D77-H80 PolarHBondContact OD2-CE1 2.63Å; D77-H80 IonicContact OD2-CG 3.76Å; D77-H80 IonicContact OD2-ND1 3.66Å; D77-H80 PolarHBondContact OD2-ND1 2.68Å; L78-H80 VanDerWaalsContact C-N 3.29Å; H80-D92 VanDerWaalsContact CA-OD2 3.31Å; H80-D92 WeakPolarHBondContact CA-OD2 3.47Å; H80-D92 PolarHBondContact O-N 3.4Å; H80-D92 VanDerWaalsContact O-OD2 3.13Å; H80-W95 HydrophobicContact CB-CB 4.29Å; H80-W95 HydrophobicContact CB-CD2 3.5Å; H80-W95 VanDerWaalsContact CB-CD2 3.5Å; H80-W95 HydrophobicContact CB-CE3 3.9Å; H80-W95 HydrophobicContact CB-CG 3.66Å; H80-W95 HydrophobicContact CB-CZ2 4.32Å; H80-W95 HydrophobicContact CB-CZ3 4.43Å; H80-W95 AromaticContact CD2-CD2 3.95Å; H80-W95 AromaticContact CD2-CE2 3.23Å; H80-W95 AromaticContact CD2-CH2 3.69Å; H80-W95 AromaticContact CD2-CZ2 3.11Å; H80-W95 WeakPolarHBondContact CD2-CZ2 3.07Å; H80-W95 AromaticContact CD2-NE1 3.55Å; H80-W95 AromaticContact CE1-CH2 3.44Å; H80-W95 VanDerWaalsContact CE1-CH2 3.44Å; H80-W95 WeakPolarHBondContact CE1-CH2 3.25Å; H80-W95 AromaticContact CE1-CZ2 3.67Å; H80-W95 AromaticContact CE1-CZ3 3.99Å; H80-W95 AromaticContact CG-CD2 3.61Å; H80-W95 AromaticContact CG-CE2 3.41Å; H80-W95 VanDerWaalsContact CG-CE2 3.41Å; H80-W95 AromaticContact CG-CE3 3.85Å; H80-W95 AromaticContact CG-CH2 3.73Å; H80-W95 AromaticContact CG-CZ2 3.5Å; H80-W95 AromaticContact CG-CZ3 3.9Å; H80-W95 AromaticContact CG-NE1 3.9Å; H80-W95 AromaticContact ND1-CH2 3.58Å; H80-W95 AromaticContact ND1-CZ2 3.83Å; H80-W95 AromaticContact ND1-CZ3 3.69Å; H80-W95 AromaticContact NE2-CE2 3.9Å; H80-W95 AromaticContact NE2-CH2 3.52Å; H80-W95 AromaticContact NE2-CZ2 3.24Å; H80-W95 WeakPolarHBondContact NE2-CZ2 3.38Å; H80-C100 HydrophobicContact CB-CB 4.37Å
81	G	82.3	Confident	77.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-175.6	178	0	0	0	0	0	113	R25 D77 R90 D92	R25-G81 PolarHBondContact NH1-O 2.79Å; D77-G81 PolarHBondContact O-N 2.97Å; G81-R90 CarbonylContact C-O 3.58Å; G81-R90 WeakPolarHBondContact CA-O 3.27Å; G81-D92 PolarHBondContact N-OD2 3.03Å
82	C	81.1	Confident	78.5	Confident	19 Å²	19	59.7 Å²	59.7	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.8	172.1	71.3	0	0	0	0	111.9	R25 C26 R90	R25-C82 HydrophobicContact CB-CB 4.24Å; R25-C82 HydrophobicContact CG-CB 3.9Å; R25-C82 VanDerWaalsContact O-CB 3.25Å; R25-C82 WeakPolarHBondContact O-CB 3.34Å; R25-C82 PolarHBondContact O-SG 2.82Å; R25-C82 VanDerWaalsContact O-SG 3.39Å; C26-C82 HydrophobicContact CB-CB 3.94Å; C26-C82 WeakPolarHBondContact CB-SG 3.46Å; C26-C82 PolarHBondContact N-SG 3.27Å; C26-C82 VanDerWaalsContact SG-C 3.59Å; C26-C82 WeakPolarHBondContact SG-CB 3.16Å; C26-C82 CovalentContact SG-SG 2.07Å; C26-C82 PolarHBondContact SG-SG 3.09Å; C82-R90 PolarHBondContact N-O 2.88Å; C82-R90 PolarHBondContact O-N 2.72Å
83	C	78.4	Confident	79.4	Confident	39 Å²	39	64.5 Å²	64.5	26%	0.264	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.9	175.1	-148.3	0	0	0	0	111.2	C26 C72	C26-C83 VanDerWaalsContact CB-O 3.23Å; C26-C83 WeakPolarHBondContact CB-O 3.02Å; C26-C83 PolarHBondContact SG-O 2.88Å; C72-C83 WeakPolarHBondContact CA-SG 2.9Å; C72-C83 HydrophobicContact CB-CB 4.02Å; C72-C83 WeakPolarHBondContact CB-SG 3.35Å; C72-C83 WeakPolarHBondContact SG-CB 3.11Å; C72-C83 CovalentContact SG-SG 2.03Å; C72-C83 PolarHBondContact SG-SG 3.45Å
84	A	77.1	Confident	80.2	Confident	12 Å²	12	64.2 Å²	64.2	10%	0.099	39%	0.386	C	S	.	.			trans	-78.9	159	175.9	0	0	0	0	0	111.2	D86 G87 S88 R90	A84-D86 WeakPolarHBondContact CB-OD1 2.95Å; A84-D86 PolarHBondContact O-N 2.87Å; A84-G87 PolarHBondContact O-N 3.21Å; A84-S88 WeakPolarHBondContact CB-OG 3.16Å; A84-S88 PolarHBondContact N-O 3.29Å; A84-R90 HydrophobicContact CB-CG 4.29Å
85	P	70.2	Confident	81	Confident	116 Å²	116	61.7 Å²	61.7	75%	0.753	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.6	-177.5	-22.3	33.4	0	0	0	114.6	G87	P85-G87 VanDerWaalsContact C-N 3.31Å
86	D	73.8	Confident	81.4	Confident	116 Å²	116	59 Å²	59	62%	0.62	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	3	175.7	63.5	-13.5	0	0	0	113.3	A84 S88	A84-D86 WeakPolarHBondContact CB-OD1 2.95Å; A84-D86 PolarHBondContact O-N 2.87Å; D86-S88 VanDerWaalsContact C-N 3.29Å; D86-S88 VanDerWaalsContact CG-OG 3.25Å; D86-S88 WeakPolarHBondContact OD1-CB 3.31Å; D86-S88 PolarHBondContact OD1-N 2.72Å; D86-S88 VanDerWaalsContact OD1-N 3.08Å; D86-S88 PolarHBondContact OD1-OG 2.87Å; D86-S88 PolarHBondContact OD2-OG 3.48Å; D86-S88 VanDerWaalsContact OD2-OG 3.14Å
87	G	76.3	Confident	81.7	Confident	22 Å²	22	60 Å²	60	23%	0.227	36%	0.357	C	S	.	.	S	Bend	trans	82.3	1.7	-176.4	0	0	0	0	0	114.2	D71 A84 P85	D71-G87 WeakPolarHBondContact O-CA 3.05Å; A84-G87 PolarHBondContact O-N 3.21Å; P85-G87 VanDerWaalsContact C-N 3.31Å
88	S	80.1	Confident	81.8	Confident	39 Å²	39	63.7 Å²	63.7	27%	0.273	38%	0.376	S	S	.	.			trans	-79.2	141.1	179.2	70.5	0	0	0	0	112.4	A84 D86	A84-S88 WeakPolarHBondContact CB-OG 3.16Å; A84-S88 PolarHBondContact N-O 3.29Å; D86-S88 VanDerWaalsContact C-N 3.29Å; D86-S88 VanDerWaalsContact CG-OG 3.25Å; D86-S88 WeakPolarHBondContact OD1-CB 3.31Å; D86-S88 PolarHBondContact OD1-N 2.72Å; D86-S88 VanDerWaalsContact OD1-N 3.08Å; D86-S88 PolarHBondContact OD1-OG 2.87Å; D86-S88 PolarHBondContact OD2-OG 3.48Å; D86-S88 VanDerWaalsContact OD2-OG 3.14Å
89	C	83.4	Confident	82.1	Confident	27 Å²	27	60.3 Å²	60.3	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.5	173.5	-173	0	0	0	0	109.4	C76 C100	C76-C89 VanDerWaalsContact CA-SG 3.6Å; C76-C89 HydrophobicContact CB-CB 3.71Å; C76-C89 WeakPolarHBondContact CB-SG 3.14Å; C76-C89 WeakPolarHBondContact SG-CB 3.23Å; C76-C89 CovalentContact SG-SG 2.03Å; C76-C89 PolarHBondContact SG-SG 3.36Å; C89-C100 PolarHBondContact SG-SG 2.85Å
90	R	85.2	Confident	82.2	Confident	153 Å²	153	57.3 Å²	57.3	58%	0.577	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.1	177.5	-65.4	-160.8	176.6	-138.3	0.6	110.6	G81 C82 A84	G81-R90 CarbonylContact C-O 3.58Å; G81-R90 WeakPolarHBondContact CA-O 3.27Å; C82-R90 PolarHBondContact N-O 2.88Å; C82-R90 PolarHBondContact O-N 2.72Å; A84-R90 HydrophobicContact CB-CG 4.29Å
91	C	85.3	Confident	82.4	Confident	46 Å²	46	59.5 Å²	59.5	31%	0.311	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	147.8	-177.4	-51.8	0	0	0	0	112.7	W95 C100	C91-W95 HydrophobicContact CB-CB 4.09Å; C91-W95 VanDerWaalsContact CB-O 3.29Å; C91-W95 WeakPolarHBondContact CB-O 3.2Å; C91-C100 WeakPolarHBondContact CA-SG 3.14Å; C91-C100 HydrophobicContact CB-CB 3.72Å; C91-C100 WeakPolarHBondContact CB-SG 3.37Å; C91-C100 PolarHBondContact N-SG 3.14Å; C91-C100 VanDerWaalsContact N-SG 3.43Å; C91-C100 WeakPolarHBondContact SG-CA 3.25Å; C91-C100 WeakPolarHBondContact SG-CB 3.42Å; C91-C100 CovalentContact SG-SG 2.04Å; C91-C100 PolarHBondContact SG-SG 2.82Å
92	D	85.8	Confident	82.6	Confident	38 Å²	38	66.3 Å²	66.3	20%	0.203	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-69.9	158.5	171.4	-62.7	-53.6	0	0	0	111.2	R25 H80 G81 G94 W95	R25-D92 IonicContact CZ-OD1 3.9Å; R25-D92 IonicContact CZ-OD2 3.78Å; R25-D92 VanDerWaalsContact CZ-OD2 3.23Å; R25-D92 IonicContact NE-OD1 3.48Å; R25-D92 PolarHBondContact NE-OD1 3.41Å; R25-D92 IonicContact NE-OD2 3.03Å; R25-D92 PolarHBondContact NE-OD2 3.49Å; R25-D92 IonicContact NH2-OD1 3.76Å; R25-D92 IonicContact NH2-OD2 3.31Å; R25-D92 PolarHBondContact NH2-OD2 2.96Å; H80-D92 VanDerWaalsContact CA-OD2 3.31Å; H80-D92 WeakPolarHBondContact CA-OD2 3.47Å; H80-D92 PolarHBondContact O-N 3.4Å; H80-D92 VanDerWaalsContact O-OD2 3.13Å; G81-D92 PolarHBondContact N-OD2 3.03Å; D92-G94 PolarHBondContact O-N 3.21Å; D92-W95 PolarHBondContact O-N 3.05Å
93	P	85.2	Confident	82.9	Confident	133 Å²	133	69.5 Å²	69.5	86%	0.864	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	127.3	173.8	-24.7	34.4	0	0	0	111.7
94	G	85.1	Confident	83.3	Confident	38 Å²	38	70.4 Å²	70.4	39%	0.392	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	6	-175.3	0	0	0	0	0	114.4	D92 C103 V104	D92-G94 PolarHBondContact O-N 3.21Å; G94-C103 CarbonylContact O-C 3.53Å; G94-C103 WeakPolarHBondContact O-CA 3.22Å; G94-V104 PolarHBondContact O-N 3.1Å
95	W	86.9	Confident	83.5	Confident	76 Å²	76	80.9 Å²	80.9	29%	0.288	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.6	170.1	-65.8	89.3	0	0	0	112	H80 C91 D92 C100 R102 C103	H80-W95 HydrophobicContact CB-CB 4.29Å; H80-W95 HydrophobicContact CB-CD2 3.5Å; H80-W95 VanDerWaalsContact CB-CD2 3.5Å; H80-W95 HydrophobicContact CB-CE3 3.9Å; H80-W95 HydrophobicContact CB-CG 3.66Å; H80-W95 HydrophobicContact CB-CZ2 4.32Å; H80-W95 HydrophobicContact CB-CZ3 4.43Å; H80-W95 AromaticContact CD2-CD2 3.95Å; H80-W95 AromaticContact CD2-CE2 3.23Å; H80-W95 AromaticContact CD2-CH2 3.69Å; H80-W95 AromaticContact CD2-CZ2 3.11Å; H80-W95 WeakPolarHBondContact CD2-CZ2 3.07Å; H80-W95 AromaticContact CD2-NE1 3.55Å; H80-W95 AromaticContact CE1-CH2 3.44Å; H80-W95 VanDerWaalsContact CE1-CH2 3.44Å; H80-W95 WeakPolarHBondContact CE1-CH2 3.25Å; H80-W95 AromaticContact CE1-CZ2 3.67Å; H80-W95 AromaticContact CE1-CZ3 3.99Å; H80-W95 AromaticContact CG-CD2 3.61Å; H80-W95 AromaticContact CG-CE2 3.41Å; H80-W95 VanDerWaalsContact CG-CE2 3.41Å; H80-W95 AromaticContact CG-CE3 3.85Å; H80-W95 AromaticContact CG-CH2 3.73Å; H80-W95 AromaticContact CG-CZ2 3.5Å; H80-W95 AromaticContact CG-CZ3 3.9Å; H80-W95 AromaticContact CG-NE1 3.9Å; H80-W95 AromaticContact ND1-CH2 3.58Å; H80-W95 AromaticContact ND1-CZ2 3.83Å; H80-W95 AromaticContact ND1-CZ3 3.69Å; H80-W95 AromaticContact NE2-CE2 3.9Å; H80-W95 AromaticContact NE2-CH2 3.52Å; H80-W95 AromaticContact NE2-CZ2 3.24Å; H80-W95 WeakPolarHBondContact NE2-CZ2 3.38Å; C91-W95 HydrophobicContact CB-CB 4.09Å; C91-W95 VanDerWaalsContact CB-O 3.29Å; C91-W95 WeakPolarHBondContact CB-O 3.2Å; D92-W95 PolarHBondContact O-N 3.05Å; W95-C100 HydrophobicContact CB-CB 4.45Å; W95-R102 CarbonylContact C-O 3.41Å; W95-R102 WeakPolarHBondContact CA-O 2.88Å; W95-C103 HydrophobicContact CE3-CB 4.34Å; W95-C103 HydrophobicContact CH2-CB 4.34Å; W95-C103 HydrophobicContact CZ3-CB 4.24Å
96	E	86.4	Confident	83.6	Confident	76 Å²	76	83.9 Å²	83.9	36%	0.355	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	172.3	177.4	71.1	177.7	-144.6	0	0	111	C100 E101 R102 V104	E96-C100 CarbonylContact O-C 3.57Å; E96-E101 PolarHBondContact O-N 2.89Å; E96-R102 HydrophobicContact CG-CB 3.95Å; E96-R102 HydrophobicContact CG-CG 4.18Å; E96-R102 PolarHBondContact N-O 3.16Å; E96-R102 WeakPolarHBondContact O-CB 2.99Å; E96-R102 PolarHBondContact O-N 3.35Å; E96-R102 WeakPolarHBondContact OE1-CD 3.3Å; E96-R102 IonicContact OE1-CZ 3.77Å; E96-R102 IonicContact OE1-NE 2.77Å; E96-R102 IonicContact OE1-NH1 2.86Å; E96-R102 PolarHBondContact OE1-NH1 2.73Å; E96-V104 HydrophobicContact CB-CG2 3.69Å; E96-V104 HydrophobicContact CG-CG2 3.76Å
97	G	85.1	Confident	83.5	Confident	36 Å²	36	84.6 Å²	84.6	37%	0.371	45%	0.449	S	S	.	.	S	Bend	trans	113.1	165.6	-176	0	0	0	0	0	111.7	H99 E101	G97-H99 PolarHBondContact O-N 3.46Å; G97-E101 WeakPolarHBondContact CA-OE2 3.25Å
98	L	84.1	Confident	83	Confident	131 Å²	131	90.8 Å²	90.8	69%	0.686	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.8	178.7	-177.1	61.6	0	0	0	111.4	E101	L98-E101 PolarHBondContact N-OE2 3.43Å
99	H	85.3	Confident	83.2	Confident	33 Å²	33	93.4 Å²	93.4	15%	0.153	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	15.4	-173.7	-54.4	115.1	0	0	0	112.4	S73 H75 D77 G97 E101	S73-H99 PolarHBondContact OG-CD2 3.09Å; S73-H99 PolarHBondContact OG-NE2 2.8Å; H75-H99 AromaticContact CD2-CG 3.65Å; H75-H99 AromaticContact CD2-ND1 3.6Å; H75-H99 VanDerWaalsContact O-CB 3.25Å; H75-H99 WeakPolarHBondContact O-CB 3.31Å; D77-H99 WeakPolarHBondContact CB-O 3.31Å; D77-H99 PolarHBondContact N-O 3.03Å; G97-H99 PolarHBondContact O-N 3.46Å; H99-E101 VanDerWaalsContact C-OE2 3.24Å; H99-E101 VanDerWaalsContact CA-OE2 3.29Å; H99-E101 WeakPolarHBondContact CA-OE2 3.02Å; H99-E101 WeakPolarHBondContact CB-OE2 3.4Å; H99-E101 PolarHBondContact N-OE2 3.42Å; H99-E101 PolarHBondContact O-N 3.13Å
100	C	86.4	Confident	83.2	Confident	0 Å²	0	96.9 Å²	96.9	0%	0	54%	0.543	C	S	.	.	S	Bend	trans	59.8	32.7	-178	-45.5	0	0	0	0	113.6	D77 H80 C89 C91 W95 E96	D77-C100 HydrophobicContact CB-CB 4.49Å; H80-C100 HydrophobicContact CB-CB 4.37Å; C89-C100 PolarHBondContact SG-SG 2.85Å; C91-C100 WeakPolarHBondContact CA-SG 3.14Å; C91-C100 HydrophobicContact CB-CB 3.72Å; C91-C100 WeakPolarHBondContact CB-SG 3.37Å; C91-C100 PolarHBondContact N-SG 3.14Å; C91-C100 VanDerWaalsContact N-SG 3.43Å; C91-C100 WeakPolarHBondContact SG-CA 3.25Å; C91-C100 WeakPolarHBondContact SG-CB 3.42Å; C91-C100 CovalentContact SG-SG 2.04Å; C91-C100 PolarHBondContact SG-SG 2.82Å; W95-C100 HydrophobicContact CB-CB 4.45Å; E96-C100 CarbonylContact O-C 3.57Å
101	E	86	Confident	83	Confident	99 Å²	99	93.8 Å²	93.8	46%	0.463	54%	0.541	S	S	.	.			trans	-83.7	-14.3	-175.8	69.3	-86.9	-157.8	0	0	113.9	E96 G97 L98 H99	E96-E101 PolarHBondContact O-N 2.89Å; G97-E101 WeakPolarHBondContact CA-OE2 3.25Å; L98-E101 PolarHBondContact N-OE2 3.43Å; H99-E101 VanDerWaalsContact C-OE2 3.24Å; H99-E101 VanDerWaalsContact CA-OE2 3.29Å; H99-E101 WeakPolarHBondContact CA-OE2 3.02Å; H99-E101 WeakPolarHBondContact CB-OE2 3.4Å; H99-E101 PolarHBondContact N-OE2 3.42Å; H99-E101 PolarHBondContact O-N 3.13Å
102	R	86.6	Confident	82.9	Confident	143 Å²	143	96.6 Å²	96.6	54%	0.54	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.6	127.9	-173	-171.1	-170	-64.4	157.6	1.3	111.2	W95 E96	W95-R102 CarbonylContact C-O 3.41Å; W95-R102 WeakPolarHBondContact CA-O 2.88Å; E96-R102 HydrophobicContact CG-CB 3.95Å; E96-R102 HydrophobicContact CG-CG 4.18Å; E96-R102 PolarHBondContact N-O 3.16Å; E96-R102 WeakPolarHBondContact O-CB 2.99Å; E96-R102 PolarHBondContact O-N 3.35Å; E96-R102 WeakPolarHBondContact OE1-CD 3.3Å; E96-R102 IonicContact OE1-CZ 3.77Å; E96-R102 IonicContact OE1-NE 2.77Å; E96-R102 IonicContact OE1-NH1 2.86Å; E96-R102 PolarHBondContact OE1-NH1 2.73Å
103	C	87.6	Confident	82.7	Confident	87 Å²	87	100.3 Å²	100.3	59%	0.588	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.6	134.6	170.4	59.9	0	0	0	0	111.3	G94 W95	G94-C103 CarbonylContact O-C 3.53Å; G94-C103 WeakPolarHBondContact O-CA 3.22Å; W95-C103 HydrophobicContact CE3-CB 4.34Å; W95-C103 HydrophobicContact CH2-CB 4.34Å; W95-C103 HydrophobicContact CZ3-CB 4.24Å
104	V	86.6	Confident	82.6	Confident	58 Å²	58	98.1 Å²	98.1	35%	0.352	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-93.5	134.3	176.2	-150.5	0	0	0	0	108.4	G94 E96	G94-V104 PolarHBondContact O-N 3.1Å; E96-V104 HydrophobicContact CB-CG2 3.69Å; E96-V104 HydrophobicContact CG-CG2 3.76Å
105	R	81.8	Confident	82.4	Confident	231 Å²	231	102.4 Å²	102.4	87%	0.872	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-78.3	135.6	169.4	-64.8	-161.3	-172.3	143.5	2.8	109.1
106	M	72.4	Confident	82	Confident	179 Å²	179	104.4 Å²	104.4	88%	0.882	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-59.3	128.8	174	-68.9	-147.7	-62.4	0	0	109.7	G108	M106-G108 PolarHBondContact O-N 3.2Å
107	P	72.7	Confident	81.7	Confident	132 Å²	132	106.8 Å²	106.8	86%	0.857	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-64.1	125.7	170.1	24.9	-29.3	0	0	0	108.3
108	G	65.4	Low	81.4	Confident	152 Å²	152	113.2 Å²	113.2	100%	1.567	63%	0.633	S	S	*	*			trans	-88.5	0	177.5	0	0	0	0	0	112.6	M106	M106-G108 PolarHBondContact O-N 3.2Å

Retrieved 108 of 108 residues in 25.1 ms (Link to these results)

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