G4LYJ6_SCHMA Loading...

Eggshell protein, putative

AlphaFold DB , UniProt , Accession G4LYJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	32.9	Very low	249 Å²	249	157 Å²	157	100%	1.227	82%	0.824	S	S	*	*				0	137.5	0	-63.5	176.3	-169.2	0	107.5
2	K	31.6	Very low	33	Very low	207 Å²	207	153.9 Å²	153.9	90%	0.9	81%	0.807	S	S	*	*			trans	-82.8	137.5	-175.8	-74.1	174.8	175.3	175.8	110.7
3	S	32.7	Very low	32.7	Very low	114 Å²	114	153.5 Å²	153.5	80%	0.797	80%	0.803	S	S	*	*			trans	64.3	143.3	135.9	-130.6	0	0	0	118.6
4	V	32.8	Very low	32.5	Very low	126 Å²	126	149.8 Å²	149.8	76%	0.764	80%	0.796	S	S	*	*			cis	-148.1	129.5	7.2	-179.8	0	0	0	105.6
5	I	38.2	Very low	32.2	Very low	162 Å²	162	147.3 Å²	147.3	83%	0.831	79%	0.794	S	S	*	*			trans	-81.6	123.5	170.9	-74.4	166.9	0	0	109.1
6	S	36.3	Very low	32	Very low	89 Å²	89	147.1 Å²	147.1	62%	0.622	80%	0.8	S	S	*	*			trans	42.7	100.9	147.6	-147.6	0	0	0	118.5	Y8	S6-Y8 PolarHBondContact O-N 3.03Å
7	L	31.5	Very low	31.8	Very low	170 Å²	170	150.6 Å²	150.6	89%	0.89	81%	0.806	S	S	*	*			trans	-60.1	97.8	163.4	-175.6	70.3	0	0	110.1
8	Y	29.2	Very low	31.4	Very low	199 Å²	199	146.7 Å²	146.7	78%	0.78	81%	0.807	S	S	*	*			trans	-73	120.9	159.6	-84.8	-97.2	0	0	108.7	S6	S6-Y8 PolarHBondContact O-N 3.03Å
9	L	31.4	Very low	31	Very low	148 Å²	148	142.7 Å²	142.7	78%	0.775	80%	0.803	S	S	*	*			trans	-150.9	73.2	150.2	-143.6	86	0	0	109.5	V11	L9-V11 HydrophobicContact CD2-CG2 3.9Å; L9-V11 HydrophobicContact CG-CG2 4.01Å; L9-V11 PolarHBondContact O-N 3.44Å
10	L	29.9	Very low	30.8	Very low	142 Å²	142	145.6 Å²	145.6	74%	0.743	81%	0.809	S	S	*	*			trans	-81.9	86.3	167.2	-161	96	0	0	106.9	I12	L10-I12 VanDerWaalsContact C-N 3.27Å; L10-I12 HydrophobicContact CD2-CD1 3.32Å; L10-I12 HydrophobicContact CD2-CG1 3.79Å; L10-I12 HydrophobicContact CG-CD1 3.98Å; L10-I12 HydrophobicContact CG-CG1 3.95Å; L10-I12 PolarHBondContact O-N 2.77Å
11	V	31.7	Very low	30.8	Very low	121 Å²	121	143.4 Å²	143.4	73%	0.733	80%	0.804	S	S	*	*			trans	-79.6	85.1	170.1	-177.2	0	0	0	107.6	L9	L9-V11 HydrophobicContact CD2-CG2 3.9Å; L9-V11 HydrophobicContact CG-CG2 4.01Å; L9-V11 PolarHBondContact O-N 3.44Å
12	I	34.3	Very low	30.4	Very low	120 Å²	120	142.7 Å²	142.7	62%	0.615	79%	0.789	S	S	*	*			trans	-89.2	148.8	156.7	-62	-179.7	0	0	106.2	L10	L10-I12 VanDerWaalsContact C-N 3.27Å; L10-I12 HydrophobicContact CD2-CD1 3.32Å; L10-I12 HydrophobicContact CD2-CG1 3.79Å; L10-I12 HydrophobicContact CG-CD1 3.98Å; L10-I12 HydrophobicContact CG-CG1 3.95Å; L10-I12 PolarHBondContact O-N 2.77Å
13	I	29.7	Very low	30.4	Very low	149 Å²	149	139.8 Å²	139.8	76%	0.764	78%	0.782	S	S	*	*			trans	113	115.1	177.2	-59.3	154.4	0	0	108.9
14	S	29.4	Very low	30.1	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	77%	0.773	S	S	*	*			cis	-155.7	138.2	47.3	-31.4	0	0	0	114.6
15	C	28.3	Very low	29.9	Very low	112 Å²	112	142.9 Å²	142.9	76%	0.757	78%	0.776	S	S	*	*			trans	57.7	89.7	134.1	-56.7	0	0	0	120.8	F17	C15-F17 PolarHBondContact O-N 3.17Å
16	T	28.9	Very low	29.3	Very low	145 Å²	145	140.9 Å²	140.9	89%	0.89	77%	0.772	S	S	*	*			trans	-79.8	91.2	146.3	49.7	0	0	0	109.7
17	F	27.7	Very low	28.9	Very low	207 Å²	207	141.1 Å²	141.1	91%	0.908	77%	0.771	S	S	*	*			trans	-128.3	109.1	157.3	-92.5	-81.2	0	0	107.1	C15	C15-F17 PolarHBondContact O-N 3.17Å
18	G	25.7	Very low	28.5	Very low	79 Å²	79	143.7 Å²	143.7	81%	0.814	77%	0.771	S	S	*	*			trans	170.3	77.4	-179.4	0	0	0	0	112.8
19	G	24.2	Very low	28.3	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	77%	0.768	S	S	*	*			trans	71.2	104.9	138.9	0	0	0	0	117.4	S21	G19-S21 PolarHBondContact O-N 2.97Å
20	E	26.4	Very low	28.1	Very low	201 Å²	201	139.1 Å²	139.1	94%	0.939	77%	0.768	S	S	*	*			trans	-44	121.6	146.9	-65	171.8	168	0	109.6
21	S	30.3	Very low	28	Very low	100 Å²	100	136.9 Å²	136.9	70%	0.699	76%	0.757	S	S	*	*			trans	-141.3	102.5	159.7	-70.3	0	0	0	106	G19 I23	G19-S21 PolarHBondContact O-N 2.97Å; S21-I23 VanDerWaalsContact C-N 3.28Å; S21-I23 PolarHBondContact O-N 2.67Å
22	Y	27.4	Very low	27.8	Very low	233 Å²	233	138.5 Å²	138.5	91%	0.914	76%	0.762	S	S	*	*			trans	-59.6	88.9	171.6	-153.3	-95.1	0	0	107.6	P24	Y22-P24 WeakPolarHBondContact O-CD 3.47Å
23	I	31.8	Very low	27.7	Very low	147 Å²	147	137.7 Å²	137.7	75%	0.754	75%	0.752	S	S	*	*			trans	-90.1	114.7	173.8	-52.6	-177.3	0	0	107.1	S21	S21-I23 VanDerWaalsContact C-N 3.28Å; S21-I23 PolarHBondContact O-N 2.67Å
24	P	27.9	Very low	27.7	Very low	92 Å²	92	132.7 Å²	132.7	60%	0.597	74%	0.737	S	S	*	*			trans	-62.1	143.6	-175.5	24.1	-32.8	0	0	111.4	Y22 T26	Y22-P24 WeakPolarHBondContact O-CD 3.47Å; P24-T26 PolarHBondContact O-N 2.73Å
25	Y	27.1	Very low	27.6	Very low	212 Å²	212	133.5 Å²	133.5	83%	0.831	74%	0.738	S	S	*	*			trans	-50.9	95.8	175.6	-155.3	-93	0	0	110.1	P27	Y25-P27 WeakPolarHBondContact O-CD 3.34Å
26	T	26.7	Very low	28	Very low	121 Å²	121	135.6 Å²	135.6	74%	0.742	73%	0.731	S	S	*	*			trans	-91.4	113.7	167.3	38.7	0	0	0	107.2	P24	P24-T26 PolarHBondContact O-N 2.73Å
27	P	26.8	Very low	28.2	Very low	93 Å²	93	132.9 Å²	132.9	60%	0.604	71%	0.714	S	S	*	*			trans	-73.9	134.8	174.7	32	-30.9	0	0	107.8	Y25	Y25-P27 WeakPolarHBondContact O-CD 3.34Å
28	Y	24.9	Very low	28.6	Very low	225 Å²	225	126.6 Å²	126.6	88%	0.882	69%	0.69	S	S	*	*			trans	66.8	93.7	174.6	-70.5	-97.1	0	0	116.2
29	S	23.5	Very low	29	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	69%	0.686	S	S	*	*				-116	123.3	129.8	-156.5	0	0	0	107.1	D31	S29-D31 PolarHBondContact O-N 3.13Å
30	N	26.8	Very low	29.3	Very low	146 Å²	146	127.7 Å²	127.7	78%	0.781	67%	0.67	S	S	*	*			trans	-55.9	92.7	167.3	-174.9	4.7	0	0	105.5	N32	N30-N32 VanDerWaalsContact C-N 3.26Å; N30-N32 PolarHBondContact O-N 3.01Å
31	D	28.1	Very low	29.5	Very low	95 Å²	95	126.6 Å²	126.6	51%	0.508	67%	0.665	S	S	.	*			trans	-55.5	103.7	178.9	-85.5	-24.1	0	0	105.4	S29 Y33	S29-D31 PolarHBondContact O-N 3.13Å; D31-Y33 WeakPolarHBondContact O-CD2 3.4Å; D31-Y33 PolarHBondContact O-N 2.91Å
32	N	27.4	Very low	29.7	Very low	155 Å²	155	126.3 Å²	126.3	83%	0.829	65%	0.649	S	S	*	*			trans	-59.4	85.1	169.4	-163.7	4.2	0	0	103.7	N30 G34	N30-N32 VanDerWaalsContact C-N 3.26Å; N30-N32 PolarHBondContact O-N 3.01Å; N32-G34 PolarHBondContact O-N 2.94Å
33	Y	32.5	Very low	29.9	Very low	103 Å²	103	120.6 Å²	120.6	40%	0.404	63%	0.634	S	S	.	*			trans	-57.5	95.6	175.5	-75.4	-89	0	0	103	D31 T35	D31-Y33 WeakPolarHBondContact O-CD2 3.4Å; D31-Y33 PolarHBondContact O-N 2.91Å; Y33-T35 PolarHBondContact O-N 2.99Å
34	G	29.9	Very low	29.9	Very low	44 Å²	44	119.4 Å²	119.4	45%	0.454	63%	0.63	S	S	.	*			trans	-44	114.9	177	0	0	0	0	105	N32 Y36	N32-G34 PolarHBondContact O-N 2.94Å; G34-Y36 WeakPolarHBondContact O-CD2 3.23Å; G34-Y36 PolarHBondContact O-N 3.25Å
35	T	27.7	Very low	30	Very low	119 Å²	119	120.9 Å²	120.9	73%	0.73	63%	0.632	S	S	*	*			trans	-64.1	87.2	-177.1	44.6	0	0	0	105.3	Y33 T37	Y33-T35 PolarHBondContact O-N 2.99Å; T35-T37 PolarHBondContact O-N 2.78Å; T35-T37 PolarHBondContact O-OG1 3.03Å
36	Y	35.8	Very low	30	Very low	155 Å²	155	117.3 Å²	117.3	61%	0.608	63%	0.627	S	S	*	*			trans	-71.2	74.2	158.3	-67.5	-74.4	0	0	104.5	G34 D38	G34-Y36 WeakPolarHBondContact O-CD2 3.23Å; G34-Y36 PolarHBondContact O-N 3.25Å; Y36-D38 PolarHBondContact O-N 3.25Å
37	T	33.1	Very low	30.3	Very low	88 Å²	88	118.1 Å²	118.1	54%	0.54	63%	0.628	S	S	.	*			trans	-72	72.5	165.1	-33.8	0	0	0	105	T35 N39	T35-T37 PolarHBondContact O-N 2.78Å; T35-T37 PolarHBondContact O-OG1 3.03Å; T37-N39 HydrophobicContact CG2-CB 3.93Å; T37-N39 VanDerWaalsContact CG2-ND2 3.35Å; T37-N39 WeakPolarHBondContact CG2-ND2 3.41Å; T37-N39 PolarHBondContact O-N 3.03Å
38	D	37.5	Very low	30.6	Very low	75 Å²	75	122 Å²	122	40%	0.401	63%	0.631	S	S	.	*			trans	-71.1	69.9	155.1	-170.5	15.5	0	0	106.5	Y36 G40 K68	Y36-D38 PolarHBondContact O-N 3.25Å; D38-G40 PolarHBondContact O-N 2.75Å; D38-G40 VanDerWaalsContact OD1-CA 3.26Å; D38-G40 WeakPolarHBondContact OD1-CA 3.37Å; D38-G40 PolarHBondContact OD1-N 2.93Å; D38-K68 IonicContact OD2-NZ 2.74Å; D38-K68 PolarHBondContact OD2-NZ 3.19Å
39	N	34.2	Very low	31	Very low	135 Å²	135	117.6 Å²	117.6	72%	0.722	61%	0.614	S	S	*	*			trans	-74	23.2	157.7	-91.2	-2.7	0	0	109.4	T37 Q41	T37-N39 HydrophobicContact CG2-CB 3.93Å; T37-N39 VanDerWaalsContact CG2-ND2 3.35Å; T37-N39 WeakPolarHBondContact CG2-ND2 3.41Å; T37-N39 PolarHBondContact O-N 3.03Å; N39-Q41 PolarHBondContact O-N 2.88Å
40	G	29.5	Very low	31.5	Very low	39 Å²	39	117.1 Å²	117.1	40%	0.402	63%	0.625	S	S	.	*			trans	-55.2	87.3	158.4	0	0	0	0	107.9	D38 Y42	D38-G40 PolarHBondContact O-N 2.75Å; D38-G40 VanDerWaalsContact OD1-CA 3.26Å; D38-G40 WeakPolarHBondContact OD1-CA 3.37Å; D38-G40 PolarHBondContact OD1-N 2.93Å; G40-Y42 PolarHBondContact O-N 3.1Å
41	Q	31.1	Very low	31.9	Very low	177 Å²	177	113.1 Å²	113.1	83%	0.827	62%	0.619	S	S	*	*			trans	-37.3	130.1	141.4	-75.1	-169.1	-52.4	0	105	N39 N43	N39-Q41 PolarHBondContact O-N 2.88Å; Q41-N43 PolarHBondContact O-N 3.17Å
42	Y	33.9	Very low	32.5	Very low	94 Å²	94	113.2 Å²	113.2	37%	0.369	62%	0.619	S	S	.	*			trans	-45.4	92.1	174.2	-148.5	-93.7	0	0	108.1	G40 N44 Q66 Y86	G40-Y42 PolarHBondContact O-N 3.1Å; Y42-N44 VanDerWaalsContact C-N 3.26Å; Y42-N44 PolarHBondContact O-N 3.18Å; Y42-Q66 VanDerWaalsContact OH-CD 3.27Å; Y42-Q66 PolarHBondContact OH-OE1 2.76Å; Y42-Y86 HydrophobicContact CE2-CD1 4.29Å; Y42-Y86 HydrophobicContact CE2-CE1 4.3Å
43	N	32.6	Very low	33.1	Very low	114 Å²	114	115.3 Å²	115.3	61%	0.61	62%	0.621	S	S	*	*			trans	-80.6	94.3	-177.7	-174.1	-0	0	0	103.4	Q41 N45	Q41-N43 PolarHBondContact O-N 3.17Å; N43-N45 PolarHBondContact O-N 3.41Å; N43-N45 WeakPolarHBondContact OD1-CB 3.35Å
44	N	32	Very low	33.5	Very low	122 Å²	122	116.2 Å²	116.2	65%	0.652	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	17.7	-174.1	-155.2	10.1	0	0	113.2	Y42	Y42-N44 VanDerWaalsContact C-N 3.26Å; Y42-N44 PolarHBondContact O-N 3.18Å
45	N	28.2	Very low	34.3	Very low	123 Å²	123	118 Å²	118	66%	0.658	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-15.2	-171.3	-73.4	-11.1	0	0	114.8	N43	N43-N45 PolarHBondContact O-N 3.41Å; N43-N45 WeakPolarHBondContact OD1-CB 3.35Å
46	N	28.1	Very low	34.9	Very low	136 Å²	136	113.5 Å²	113.5	73%	0.727	61%	0.607	S	S	*	*	S	Bend	trans	-106.7	89.1	-178.8	-73.6	-3.6	0	0	111.8
47	D	32.9	Very low	35.2	Very low	139 Å²	139	112.4 Å²	112.4	74%	0.743	61%	0.611	S	S	*	*	S	Bend	trans	63.7	51.7	136.4	-57.3	-28.8	0	0	120.6
48	Y	33.4	Very low	35.4	Very low	175 Å²	175	112.9 Å²	112.9	69%	0.686	61%	0.611	S	S	*	*	S	Bend	trans	-137.1	-10.4	150	-118.2	-86.1	0	0	118.6
49	Y	33.5	Very low	35.9	Very low	131 Å²	131	116 Å²	116	51%	0.514	63%	0.627	S	S	.	*			trans	-151.3	68.4	165.8	-89.8	-81	0	0	112.6	G51 H88	Y49-G51 PolarHBondContact O-N 2.67Å; Y49-H88 AromaticContact CE2-CE1 3.45Å; Y49-H88 VanDerWaalsContact CE2-CE1 3.45Å; Y49-H88 WeakPolarHBondContact CE2-CE1 3.43Å; Y49-H88 AromaticContact CE2-NE2 3.67Å
50	G	32.8	Very low	36.4	Very low	94 Å²	94	118.1 Å²	118.1	97%	0.969	63%	0.632	S	S	*	*			trans	-80.3	20.9	161.5	0	0	0	0	114.1
51	G	35.4	Very low	37.4	Very low	63 Å²	63	117.3 Å²	117.3	65%	0.649	62%	0.624	S	S	*	*	S	Bend	trans	-130.8	2	-156.5	0	0	0	0	118.6	Y49	Y49-G51 PolarHBondContact O-N 2.67Å
52	D	39.9	Very low	38.3	Very low	96 Å²	96	114.3 Å²	114.3	51%	0.513	61%	0.608	S	S	.	*			trans	-146.2	76.6	173.8	-137.3	0.3	0	0	112.1	N54	D52-N54 PolarHBondContact O-N 2.89Å; D52-N54 VanDerWaalsContact OD1-CB 3.29Å; D52-N54 WeakPolarHBondContact OD1-CB 2.74Å; D52-N54 PolarHBondContact OD1-ND2 2.7Å
53	K	41.6	Very low	39.4	Very low	200 Å²	200	114.5 Å²	114.5	87%	0.87	62%	0.615	S	S	*	*			trans	-67.8	-2.5	162.2	-67.6	-178	-178.8	176.3	111.9	H55	K53-H55 PolarHBondContact O-N 2.83Å
54	N	40.6	Very low	40.6	Very low	122 Å²	122	111.4 Å²	111.4	65%	0.652	60%	0.596	S	S	*	*			trans	-77.7	77.2	165.1	-55.8	-47	0	0	108.3	D52 G56	D52-N54 PolarHBondContact O-N 2.89Å; D52-N54 VanDerWaalsContact OD1-CB 3.29Å; D52-N54 WeakPolarHBondContact OD1-CB 2.74Å; D52-N54 PolarHBondContact OD1-ND2 2.7Å; N54-G56 PolarHBondContact O-N 2.79Å
55	H	46	Very low	41.7	Very low	82 Å²	82	107.1 Å²	107.1	38%	0.38	57%	0.574	S	S	.	*			trans	-49.2	116	152.8	-57.7	-72	0	0	105.5	K53 Y125	K53-H55 PolarHBondContact O-N 2.83Å; H55-Y125 AromaticContact CE1-CD1 3.26Å; H55-Y125 WeakPolarHBondContact CE1-CD1 3.43Å; H55-Y125 AromaticContact CE1-CE1 3.55Å; H55-Y125 AromaticContact CE1-CG 3.7Å; H55-Y125 AromaticContact ND1-CD1 3.51Å; H55-Y125 AromaticContact ND1-CG 3.47Å
56	G	40.3	Very low	43.1	Very low	24 Å²	24	102.3 Å²	102.3	25%	0.247	55%	0.548	C	S	.	.			trans	-41.9	144	-171.9	0	0	0	0	110.8	N54 D58	N54-G56 PolarHBondContact O-N 2.79Å; G56-D58 VanDerWaalsContact C-OD1 3.3Å; G56-D58 PolarHBondContact O-N 2.9Å
57	N	42	Very low	44.6	Very low	132 Å²	132	95.9 Å²	95.9	71%	0.706	51%	0.514	S	S	*	.	S	Bend	trans	-72.5	27.8	-179	-134.7	27.5	0	0	111.8	K127	N57-K127 PolarHBondContact OD1-NZ 3.09Å
58	D	38.7	Very low	46	Very low	98 Å²	98	90.4 Å²	90.4	52%	0.524	48%	0.484	S	S	.	.			trans	-101.3	120.1	-160.7	-42.6	-1	0	0	106.7	G56 H60 G61	G56-D58 VanDerWaalsContact C-OD1 3.3Å; G56-D58 PolarHBondContact O-N 2.9Å; D58-H60 PolarHBondContact O-N 2.96Å; D58-G61 PolarHBondContact O-N 3.13Å
59	N	47.1	Very low	47.7	Very low	140 Å²	140	85.6 Å²	85.6	75%	0.749	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.3	-177	-73.1	-20.4	0	0	114.3
60	H	44.3	Very low	48.8	Very low	180 Å²	180	80.4 Å²	80.4	83%	0.833	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.7	-174.6	-61.6	-71	0	0	113.9	D58	D58-H60 PolarHBondContact O-N 2.96Å
61	G	50.2	Low	50.2	Low	22 Å²	22	76.2 Å²	76.2	23%	0.227	40%	0.403	C	S	.	.			trans	68.8	156.5	-172.3	0	0	0	0	112.4	D58 Y125	D58-G61 PolarHBondContact O-N 3.13Å; G61-Y125 CarbonylContact C-O 3.53Å; G61-Y125 WeakPolarHBondContact CA-O 3.42Å
62	K	51.7	Low	51.5	Low	114 Å²	114	76.1 Å²	76.1	50%	0.496	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118	-178.4	-173.1	175.5	-176.9	176.9	108.9	H64 Y125	K62-H64 PolarHBondContact O-N 3.08Å; K62-Y125 PolarHBondContact N-O 3.36Å; K62-Y125 PolarHBondContact O-N 2.77Å
63	I	56.9	Low	52.6	Low	98 Å²	98	72 Å²	72	50%	0.503	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.1	169.7	-59.6	170	0	0	108	L124	I63-L124 HydrophobicContact CG1-CD1 3.59Å
64	H	56.4	Low	53.6	Low	49 Å²	49	64.3 Å²	64.3	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.4	167.2	-171.5	92.8	0	0	108.8	K62 S122 K123 Y125	K62-H64 PolarHBondContact O-N 3.08Å; H64-S122 CarbonylContact O-C 3.51Å; H64-S122 WeakPolarHBondContact O-CA 3.37Å; H64-K123 PolarHBondContact N-O 2.77Å; H64-K123 PolarHBondContact O-N 2.82Å; H64-Y125 HydrophobicContact CB-CD2 3.88Å; H64-Y125 HydrophobicContact CB-CE2 3.59Å
65	T	56.2	Low	54.5	Low	31 Å²	31	59.7 Å²	59.7	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.6	173.5	-58.3	0	0	0	108.7	H88 K89 I120 E121 S122	T65-H88 CarbonylContact O-C 3.53Å; T65-H88 WeakPolarHBondContact O-CA 3.36Å; T65-H88 WeakPolarHBondContact O-CB 3.33Å; T65-K89 PolarHBondContact O-N 3.01Å; T65-I120 HydrophobicContact CG2-CG2 4.07Å; T65-E121 WeakPolarHBondContact CA-O 3.14Å; T65-S122 WeakPolarHBondContact CG2-OG 3.41Å; T65-S122 PolarHBondContact OG1-OG 2.61Å
66	Q	57.7	Low	54.9	Low	23 Å²	23	59.4 Å²	59.4	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164	174.8	62.9	179.2	2.3	0	110.4	Y42 F87 H88 E121	Y42-Q66 VanDerWaalsContact OH-CD 3.27Å; Y42-Q66 PolarHBondContact OH-OE1 2.76Å; Q66-F87 CarbonylContact C-O 3.59Å; Q66-F87 VanDerWaalsContact CA-O 3.24Å; Q66-F87 WeakPolarHBondContact CA-O 3.42Å; Q66-H88 HydrophobicContact CB-CB 4.17Å; Q66-E121 HydrophobicContact CG-CB 4.23Å; Q66-E121 PolarHBondContact N-O 3.28Å; Q66-E121 PolarHBondContact NE2-OE2 2.92Å; Q66-E121 PolarHBondContact O-N 2.99Å
67	G	58.5	Low	56.1	Low	1 Å²	1	68.2 Å²	68.2	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	168.9	173.7	0	0	0	0	113.1	Y86 F87 N119	G67-Y86 WeakPolarHBondContact O-CA 3.26Å; G67-F87 VanDerWaalsContact CA-CE2 3.47Å; G67-F87 VanDerWaalsContact CA-CZ 3.48Å; G67-F87 PolarHBondContact N-O 2.73Å; G67-F87 WeakPolarHBondContact O-CD1 3.44Å; G67-F87 PolarHBondContact O-N 2.69Å; G67-N119 CarbonylContact C-O 3.49Å; G67-N119 WeakPolarHBondContact CA-O 2.93Å
68	K	63.5	Low	57	Low	24 Å²	24	65 Å²	65	10%	0.104	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.3	-175.8	-172.1	-176.8	-176.3	-171.8	108.7	D38 I70 T84 T85 Y86 F118 N119	D38-K68 IonicContact OD2-NZ 2.74Å; D38-K68 PolarHBondContact OD2-NZ 3.19Å; K68-I70 HydrophobicContact CD-CD1 3.93Å; K68-I70 HydrophobicContact CD-CG1 4.05Å; K68-I70 HydrophobicContact CG-CD1 4.4Å; K68-I70 HydrophobicContact CG-CG1 3.97Å; K68-T84 HydrophobicContact CD-CG2 4.43Å; K68-T84 HydrophobicContact CG-CG2 4.1Å; K68-T85 WeakPolarHBondContact CA-O 3.19Å; K68-Y86 HydrophobicContact CB-CD1 4.29Å; K68-Y86 HydrophobicContact CB-CE1 4.34Å; K68-Y86 HydrophobicContact CD-CE1 3.79Å; K68-Y86 WeakPolarHBondContact CE-OH 3.49Å; K68-Y86 HydrophobicContact CG-CD1 4.09Å; K68-Y86 HydrophobicContact CG-CE1 3.79Å; K68-F118 CarbonylContact O-C 3.59Å; K68-F118 WeakPolarHBondContact O-CA 3.43Å; K68-N119 PolarHBondContact N-O 2.78Å; K68-N119 PolarHBondContact O-N 3.11Å
69	F	67.5	Low	58.1	Low	74 Å²	74	66 Å²	66	33%	0.325	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.8	169	175.1	-99.4	0	0	108.3	A71 T84 T85 F87 A116 F118	F69-A71 HydrophobicContact CD1-CB 4.45Å; F69-A71 HydrophobicContact CE1-CB 3.54Å; F69-A71 HydrophobicContact CZ-CB 3.74Å; F69-T84 CarbonylContact O-C 3.43Å; F69-T84 WeakPolarHBondContact O-CA 3.19Å; F69-T85 PolarHBondContact N-O 2.76Å; F69-T85 PolarHBondContact O-N 3.19Å; F69-F87 HydrophobicContact CB-CE1 4.35Å; F69-A116 HydrophobicContact CE2-CB 3.8Å; F69-A116 HydrophobicContact CZ-CB 4Å; F69-F118 HydrophobicContact CD2-CB 4.39Å
70	I	57.9	Low	59	Low	21 Å²	21	66.2 Å²	66.2	11%	0.108	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.1	175.5	-50.3	176.3	0	0	107.1	K68 Y72 Q83 T84 A116 K117	K68-I70 HydrophobicContact CD-CD1 3.93Å; K68-I70 HydrophobicContact CD-CG1 4.05Å; K68-I70 HydrophobicContact CG-CD1 4.4Å; K68-I70 HydrophobicContact CG-CG1 3.97Å; I70-Y72 HydrophobicContact CG2-CD1 4.28Å; I70-Q83 CarbonylContact C-O 3.57Å; I70-Q83 WeakPolarHBondContact CA-O 3.29Å; I70-T84 HydrophobicContact CG1-CG2 4.38Å; I70-A116 CarbonylContact O-C 3.53Å; I70-A116 VanDerWaalsContact O-CA 3.26Å; I70-A116 WeakPolarHBondContact O-CA 3.32Å; I70-K117 PolarHBondContact N-O 2.93Å; I70-K117 PolarHBondContact O-N 3.26Å
71	A	61.8	Low	59.7	Low	6 Å²	6	60.8 Å²	60.8	5%	0.05	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.6	171.8	0	0	0	0	109.4	F69 Y81 H82 Q83 K115 A116	F69-A71 HydrophobicContact CD1-CB 4.45Å; F69-A71 HydrophobicContact CE1-CB 3.54Å; F69-A71 HydrophobicContact CZ-CB 3.74Å; A71-Y81 VanDerWaalsContact C-CE2 3.41Å; A71-Y81 HydrophobicContact CB-CE2 3.8Å; A71-H82 CarbonylContact O-C 3.32Å; A71-H82 WeakPolarHBondContact O-CA 3.19Å; A71-Q83 PolarHBondContact N-O 3Å; A71-Q83 PolarHBondContact O-N 3.41Å; A71-K115 CarbonylContact C-O 3.41Å; A71-K115 WeakPolarHBondContact CA-O 3.38Å; A71-A116 HydrophobicContact CB-CB 4.38Å
72	Y	62	Low	60.5	Low	61 Å²	61	64.6 Å²	64.6	24%	0.239	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142.7	178.5	59	-85.8	0	0	111.7	I70 Y81 K115 K117	I70-Y72 HydrophobicContact CG2-CD1 4.28Å; Y72-Y81 VanDerWaalsContact C-CE2 3.4Å; Y72-Y81 VanDerWaalsContact CA-CE2 3.45Å; Y72-Y81 VanDerWaalsContact CA-O 3.24Å; Y72-Y81 WeakPolarHBondContact CA-O 3.45Å; Y72-Y81 VanDerWaalsContact N-CE2 3.32Å; Y72-Y81 PolarHBondContact O-OH 3.06Å; Y72-K115 HydrophobicContact CD2-CB 3.95Å; Y72-K115 HydrophobicContact CE1-CB 4Å; Y72-K115 HydrophobicContact CE2-CB 3.4Å; Y72-K115 VanDerWaalsContact CE2-CB 3.4Å; Y72-K115 HydrophobicContact CE2-CD 3.69Å; Y72-K115 HydrophobicContact CE2-CG 4.12Å; Y72-K115 HydrophobicContact CG-CB 4.48Å; Y72-K115 VanDerWaalsContact CZ-CB 3.42Å; Y72-K115 PolarHBondContact N-O 3.15Å; Y72-K115 PolarHBondContact O-N 2.72Å; Y72-K117 HydrophobicContact CE1-CG 4.36Å
73	G	64.6	Low	61.1	Low	9 Å²	9	64.5 Å²	64.5	9%	0.093	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-164.7	178.8	0	0	0	0	112.8	K80 Y81 N113	G73-K80 CarbonylContact O-C 3.48Å; G73-K80 WeakPolarHBondContact O-CA 3.05Å; G73-Y81 VanDerWaalsContact CA-CZ 3.45Å; G73-Y81 PolarHBondContact N-O 3.34Å; G73-Y81 PolarHBondContact N-OH 2.99Å; G73-Y81 WeakPolarHBondContact O-CD1 3.24Å; G73-Y81 PolarHBondContact O-N 2.79Å; G73-N113 WeakPolarHBondContact CA-O 3.48Å
74	N	61.3	Low	61.4	Low	39 Å²	39	62 Å²	62	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	-171	-56.8	-46.3	0	0	110.2	L79 K80 Q112 N113	N74-L79 WeakPolarHBondContact CA-O 3.45Å; N74-K80 WeakPolarHBondContact OD1-CG 3.41Å; N74-Q112 WeakPolarHBondContact O-CA 3.45Å; N74-N113 PolarHBondContact N-O 3.42Å; N74-N113 VanDerWaalsContact N-O 3.14Å; N74-N113 PolarHBondContact O-N 3.22Å
75	A	60.9	Low	61.9	Low	25 Å²	25	62.3 Å²	62.3	21%	0.207	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	158.6	162.1	0	0	0	0	110.2	K77 G78 L79 Q112	A75-K77 PolarHBondContact O-N 2.94Å; A75-G78 PolarHBondContact O-N 3.4Å; A75-L79 HydrophobicContact CB-CB 4.34Å; A75-L79 PolarHBondContact N-O 2.95Å; A75-Q112 HydrophobicContact CB-CG 4.31Å
76	D	54.3	Low	62.1	Low	76 Å²	76	67.5 Å²	67.5	41%	0.406	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	139.8	168.1	-75.2	-15	0	0	110.4	G110 K111	D76-G110 VanDerWaalsContact OD2-C 3.29Å; D76-G110 WeakPolarHBondContact OD2-CA 3.26Å; D76-K111 VanDerWaalsContact CG-N 3.33Å; D76-K111 PolarHBondContact N-O 2.91Å; D76-K111 PolarHBondContact OD2-N 2.89Å
77	K	64.4	Low	62	Low	210 Å²	210	68.3 Å²	68.3	91%	0.913	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	18	-170.2	-47.9	177.1	-178.7	-178.3	116.3	A75 L79	A75-K77 PolarHBondContact O-N 2.94Å; K77-L79 VanDerWaalsContact C-N 3.26Å; K77-L79 PolarHBondContact O-N 2.95Å
78	G	61.3	Low	62	Low	63 Å²	63	70 Å²	70	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	10.1	169.3	0	0	0	0	114.5	A75 K80	A75-G78 PolarHBondContact O-N 3.4Å; G78-K80 PolarHBondContact O-N 2.81Å
79	L	61.2	Low	61.3	Low	120 Å²	120	76 Å²	76	63%	0.628	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	110.9	174.3	-71.5	172.1	0	0	109.2	N74 A75 K77	N74-L79 WeakPolarHBondContact CA-O 3.45Å; A75-L79 HydrophobicContact CB-CB 4.34Å; A75-L79 PolarHBondContact N-O 2.95Å; K77-L79 VanDerWaalsContact C-N 3.26Å; K77-L79 PolarHBondContact O-N 2.95Å
80	K	65.8	Low	60.4	Low	145 Å²	145	75.6 Å²	75.6	63%	0.63	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	130	172.8	-55.1	-170.1	176.4	176.6	108.7	G73 N74 G78	G73-K80 CarbonylContact O-C 3.48Å; G73-K80 WeakPolarHBondContact O-CA 3.05Å; N74-K80 WeakPolarHBondContact OD1-CG 3.41Å; G78-K80 PolarHBondContact O-N 2.81Å
81	Y	60.3	Low	59.8	Low	66 Å²	66	75.5 Å²	75.5	26%	0.259	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.1	170.4	80.6	-96.5	0	0	108.7	A71 Y72 G73 V114 K115	A71-Y81 VanDerWaalsContact C-CE2 3.41Å; A71-Y81 HydrophobicContact CB-CE2 3.8Å; Y72-Y81 VanDerWaalsContact C-CE2 3.4Å; Y72-Y81 VanDerWaalsContact CA-CE2 3.45Å; Y72-Y81 VanDerWaalsContact CA-O 3.24Å; Y72-Y81 WeakPolarHBondContact CA-O 3.45Å; Y72-Y81 VanDerWaalsContact N-CE2 3.32Å; Y72-Y81 PolarHBondContact O-OH 3.06Å; G73-Y81 VanDerWaalsContact CA-CZ 3.45Å; G73-Y81 PolarHBondContact N-O 3.34Å; G73-Y81 PolarHBondContact N-OH 2.99Å; G73-Y81 WeakPolarHBondContact O-CD1 3.24Å; G73-Y81 PolarHBondContact O-N 2.79Å; Y81-V114 HydrophobicContact CE1-CB 4.33Å; Y81-V114 HydrophobicContact CE1-CG2 3.72Å; Y81-V114 WeakPolarHBondContact OH-CA 2.92Å; Y81-V114 WeakPolarHBondContact OH-CB 3.19Å; Y81-V114 WeakPolarHBondContact OH-CG1 3.42Å; Y81-V114 WeakPolarHBondContact OH-CG2 3.24Å; Y81-K115 PolarHBondContact OH-N 3.3Å; Y81-K115 VanDerWaalsContact OH-N 3.17Å
82	H	67.4	Low	59	Low	102 Å²	102	84.2 Å²	84.2	47%	0.472	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	107.7	172.2	177.2	-92.1	0	0	108	A71	A71-H82 CarbonylContact O-C 3.32Å; A71-H82 WeakPolarHBondContact O-CA 3.19Å
83	Q	64	Low	58	Low	112 Å²	112	89 Å²	89	52%	0.523	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.3	-179.4	-174.7	175.5	50.4	0	109.1	I70 A71	I70-Q83 CarbonylContact C-O 3.57Å; I70-Q83 WeakPolarHBondContact CA-O 3.29Å; A71-Q83 PolarHBondContact N-O 3Å; A71-Q83 PolarHBondContact O-N 3.41Å
84	T	63.1	Low	56.7	Low	44 Å²	44	96.7 Å²	96.7	27%	0.27	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.9	168.3	-62.5	0	0	0	108.4	K68 F69 I70 Y86	K68-T84 HydrophobicContact CD-CG2 4.43Å; K68-T84 HydrophobicContact CG-CG2 4.1Å; F69-T84 CarbonylContact O-C 3.43Å; F69-T84 WeakPolarHBondContact O-CA 3.19Å; I70-T84 HydrophobicContact CG1-CG2 4.38Å; T84-Y86 HydrophobicContact CG2-CD2 4.2Å; T84-Y86 HydrophobicContact CG2-CE1 4.44Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å
85	T	65.4	Low	55.5	Low	57 Å²	57	101.4 Å²	101.4	35%	0.35	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.6	178.3	-55.7	0	0	0	108.7	K68 F69	K68-T85 WeakPolarHBondContact CA-O 3.19Å; F69-T85 PolarHBondContact N-O 2.76Å; F69-T85 PolarHBondContact O-N 3.19Å
86	Y	61.1	Low	54.5	Low	139 Å²	139	108.7 Å²	108.7	55%	0.545	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.9	170.6	-61.3	-85.1	0	0	109.2	Y42 G67 K68 T84	Y42-Y86 HydrophobicContact CE2-CD1 4.29Å; Y42-Y86 HydrophobicContact CE2-CE1 4.3Å; G67-Y86 WeakPolarHBondContact O-CA 3.26Å; K68-Y86 HydrophobicContact CB-CD1 4.29Å; K68-Y86 HydrophobicContact CB-CE1 4.34Å; K68-Y86 HydrophobicContact CD-CE1 3.79Å; K68-Y86 WeakPolarHBondContact CE-OH 3.49Å; K68-Y86 HydrophobicContact CG-CD1 4.09Å; K68-Y86 HydrophobicContact CG-CE1 3.79Å; T84-Y86 HydrophobicContact CG2-CD2 4.2Å; T84-Y86 HydrophobicContact CG2-CE1 4.44Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å
87	F	56.8	Low	53.9	Low	40 Å²	40	110.8 Å²	110.8	18%	0.175	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.5	175.4	52.2	-88.7	0	0	110.9	Q66 G67 F69 F97 I120	Q66-F87 CarbonylContact C-O 3.59Å; Q66-F87 VanDerWaalsContact CA-O 3.24Å; Q66-F87 WeakPolarHBondContact CA-O 3.42Å; G67-F87 VanDerWaalsContact CA-CE2 3.47Å; G67-F87 VanDerWaalsContact CA-CZ 3.48Å; G67-F87 PolarHBondContact N-O 2.73Å; G67-F87 WeakPolarHBondContact O-CD1 3.44Å; G67-F87 PolarHBondContact O-N 2.69Å; F69-F87 HydrophobicContact CB-CE1 4.35Å; F87-F97 HydrophobicContact CB-CD1 4.37Å; F87-F97 HydrophobicContact CB-CE1 3.41Å; F87-F97 VanDerWaalsContact CB-CE1 3.41Å; F87-F97 HydrophobicContact CB-CE2 3.78Å; F87-F97 HydrophobicContact CB-CZ 3.08Å; F87-F97 HydrophobicContact CG-CE1 4.11Å; F87-F97 HydrophobicContact CG-CZ 4.2Å; F87-I120 HydrophobicContact CE2-CG1 3.93Å; F87-I120 HydrophobicContact CZ-CD1 4.47Å; F87-I120 HydrophobicContact CZ-CG1 3.76Å
88	H	56.7	Low	52.8	Low	37 Å²	37	104.2 Å²	104.2	17%	0.171	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148	170.9	71.2	100.8	0	0	111.4	Y49 T65 Q66 G90 S91	Y49-H88 AromaticContact CE2-CE1 3.45Å; Y49-H88 VanDerWaalsContact CE2-CE1 3.45Å; Y49-H88 WeakPolarHBondContact CE2-CE1 3.43Å; Y49-H88 AromaticContact CE2-NE2 3.67Å; T65-H88 CarbonylContact O-C 3.53Å; T65-H88 WeakPolarHBondContact O-CA 3.36Å; T65-H88 WeakPolarHBondContact O-CB 3.33Å; Q66-H88 HydrophobicContact CB-CB 4.17Å; H88-G90 PolarHBondContact O-N 3.46Å; H88-S91 WeakPolarHBondContact CE1-CA 3.1Å; H88-S91 VanDerWaalsContact CE1-CB 3.43Å; H88-S91 WeakPolarHBondContact CE1-CB 3.45Å; H88-S91 PolarHBondContact CE1-N 2.84Å; H88-S91 PolarHBondContact ND1-N 2.82Å; H88-S91 WeakPolarHBondContact NE2-CA 3.26Å; H88-S91 WeakPolarHBondContact NE2-CB 3.48Å; H88-S91 PolarHBondContact NE2-OG 2.91Å
89	K	49.9	Very low	51.5	Low	149 Å²	149	106.9 Å²	106.9	65%	0.648	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	127	173.2	-171	177.6	179.8	-179.5	108.5	T65	T65-K89 PolarHBondContact O-N 3.01Å
90	G	47.6	Very low	50.2	Low	66 Å²	66	108.4 Å²	108.4	68%	0.68	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	18.1	179.4	0	0	0	0	115.8	H88	H88-G90 PolarHBondContact O-N 3.46Å
91	S	46.6	Very low	48.6	Very low	19 Å²	19	107.1 Å²	107.1	13%	0.133	52%	0.516	C	S	.	.			trans	-55.1	141.5	165.6	-167.1	0	0	0	111.6	H88 Y93 Q94	H88-S91 WeakPolarHBondContact CE1-CA 3.1Å; H88-S91 VanDerWaalsContact CE1-CB 3.43Å; H88-S91 WeakPolarHBondContact CE1-CB 3.45Å; H88-S91 PolarHBondContact CE1-N 2.84Å; H88-S91 PolarHBondContact ND1-N 2.82Å; H88-S91 WeakPolarHBondContact NE2-CA 3.26Å; H88-S91 WeakPolarHBondContact NE2-CB 3.48Å; H88-S91 PolarHBondContact NE2-OG 2.91Å; S91-Y93 CarbonylContact O-C 3.57Å; S91-Y93 VanDerWaalsContact O-C 3.32Å; S91-Y93 PolarHBondContact O-N 3.27Å; S91-Y93 VanDerWaalsContact O-N 3.15Å; S91-Y93 PolarHBondContact OG-N 3.2Å; S91-Q94 PolarHBondContact O-N 2.98Å
92	K	44.4	Very low	47.4	Very low	190 Å²	190	109.7 Å²	109.7	83%	0.826	54%	0.539	S	S	*	.	S	Bend	trans	-54.7	-28.1	167.3	-75.9	-174	177.9	179	111	Q94	K92-Q94 PolarHBondContact O-N 3.2Å
93	Y	42	Very low	45.9	Very low	160 Å²	160	113.8 Å²	113.8	63%	0.627	56%	0.556	S	S	*	*	S	Bend	trans	-76.5	77.6	162.8	-50.8	-71.3	0	0	108.5	S91 K95	S91-Y93 CarbonylContact O-C 3.57Å; S91-Y93 VanDerWaalsContact O-C 3.32Å; S91-Y93 PolarHBondContact O-N 3.27Å; S91-Y93 VanDerWaalsContact O-N 3.15Å; S91-Y93 PolarHBondContact OG-N 3.2Å; Y93-K95 PolarHBondContact O-N 3.31Å
94	Q	35.4	Very low	44.4	Very low	171 Å²	171	111 Å²	111	80%	0.799	56%	0.556	S	S	*	*			trans	-64.3	43.1	173	-69	-176.6	-13.6	0	112.7	S91 K92 K96	S91-Q94 PolarHBondContact O-N 2.98Å; K92-Q94 PolarHBondContact O-N 3.2Å; Q94-K96 PolarHBondContact O-N 2.8Å
95	K	37.8	Very low	43.1	Very low	139 Å²	139	118 Å²	118	60%	0.604	58%	0.583	S	S	*	*			trans	-70.8	90.5	160.3	-68.4	-159.2	-178.8	-177.2	105.8	Y93 F97 Y100	Y93-K95 PolarHBondContact O-N 3.31Å; K95-F97 PolarHBondContact O-N 2.77Å; K95-Y100 HydrophobicContact CD-CE2 4.49Å; K95-Y100 VanDerWaalsContact CD-OH 3.3Å; K95-Y100 WeakPolarHBondContact CD-OH 3.33Å; K95-Y100 PolarHBondContact NZ-OH 3.27Å
96	K	38.1	Very low	42	Very low	177 Å²	177	121.3 Å²	121.3	77%	0.77	60%	0.603	S	S	*	*			trans	-42.9	113.1	170.9	-67.8	-179.7	176.5	-178.2	107.3	Q94 A98	Q94-K96 PolarHBondContact O-N 2.8Å; K96-A98 PolarHBondContact O-N 2.83Å
97	F	42.1	Very low	41.2	Very low	120 Å²	120	120.5 Å²	120.5	53%	0.526	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-62.5	-3.6	172.9	-76.7	-83.4	0	0	112.8	F87 K95 N99	F87-F97 HydrophobicContact CB-CD1 4.37Å; F87-F97 HydrophobicContact CB-CE1 3.41Å; F87-F97 VanDerWaalsContact CB-CE1 3.41Å; F87-F97 HydrophobicContact CB-CE2 3.78Å; F87-F97 HydrophobicContact CB-CZ 3.08Å; F87-F97 HydrophobicContact CG-CE1 4.11Å; F87-F97 HydrophobicContact CG-CZ 4.2Å; K95-F97 PolarHBondContact O-N 2.77Å; F97-N99 VanDerWaalsContact C-N 3.34Å; F97-N99 PolarHBondContact O-N 2.95Å
98	A	41.2	Very low	40.6	Very low	73 Å²	73	123.2 Å²	123.2	60%	0.603	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-67.1	-26.5	-171.1	0	0	0	0	114.3	K96	K96-A98 PolarHBondContact O-N 2.83Å
99	N	34.6	Very low	40.3	Very low	119 Å²	119	130.2 Å²	130.2	64%	0.636	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-150.8	62.1	-175.1	-73.8	-38.9	0	0	112.4	F97 D101	F97-N99 VanDerWaalsContact C-N 3.34Å; F97-N99 PolarHBondContact O-N 2.95Å; N99-D101 PolarHBondContact O-N 2.83Å; N99-D101 VanDerWaalsContact O-N 3.09Å
100	Y	33.1	Very low	40.6	Very low	151 Å²	151	124.2 Å²	124.2	59%	0.592	63%	0.634	S	S	*	*			trans	-80	73	155.8	-95.3	-78.5	0	0	108.4	K95 T102	K95-Y100 HydrophobicContact CD-CE2 4.49Å; K95-Y100 VanDerWaalsContact CD-OH 3.3Å; K95-Y100 WeakPolarHBondContact CD-OH 3.33Å; K95-Y100 PolarHBondContact NZ-OH 3.27Å; Y100-T102 VanDerWaalsContact C-N 3.31Å; Y100-T102 PolarHBondContact O-N 3.47Å; Y100-T102 VanDerWaalsContact O-N 3.11Å
101	D	34	Very low	41.3	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	64%	0.635	S	S	*	*			trans	-75.4	93.6	163.2	-155.1	14.3	0	0	105.4	N99 K103	N99-D101 PolarHBondContact O-N 2.83Å; N99-D101 VanDerWaalsContact O-N 3.09Å; D101-K103 PolarHBondContact O-N 3.26Å; D101-K103 WeakPolarHBondContact OD2-CE 3.3Å; D101-K103 IonicContact OD2-NZ 3.95Å
102	T	34.7	Very low	42	Very low	120 Å²	120	132 Å²	132	74%	0.736	65%	0.649	S	S	*	*			trans	-71.8	79.5	179.1	53.5	0	0	0	108.8	Y100 G104	Y100-T102 VanDerWaalsContact C-N 3.31Å; Y100-T102 PolarHBondContact O-N 3.47Å; Y100-T102 VanDerWaalsContact O-N 3.11Å; T102-G104 PolarHBondContact O-N 2.99Å
103	K	34.5	Very low	42.8	Very low	189 Å²	189	127.6 Å²	127.6	82%	0.822	63%	0.634	S	S	*	*			trans	-75.8	69.9	165.8	-67.9	-174.1	-178.3	178.8	109	D101	D101-K103 PolarHBondContact O-N 3.26Å; D101-K103 WeakPolarHBondContact OD2-CE 3.3Å; D101-K103 IonicContact OD2-NZ 3.95Å
104	G	32.5	Very low	43.7	Very low	52 Å²	52	124 Å²	124	54%	0.536	63%	0.629	S	S	.	*			trans	-113.1	133.3	170	0	0	0	0	109.3	T102 V106	T102-G104 PolarHBondContact O-N 2.99Å; G104-V106 PolarHBondContact O-N 3.33Å; G104-V106 VanDerWaalsContact O-N 3.09Å
105	K	36.7	Very low	45.1	Very low	193 Å²	193	120.7 Å²	120.7	84%	0.839	61%	0.611	S	S	*	*			trans	-65.2	109.8	160.1	-69.9	-175.7	179.9	-179.1	106.4	H107	K105-H107 VanDerWaalsContact C-N 3.35Å; K105-H107 PolarHBondContact O-CD2 3.09Å; K105-H107 PolarHBondContact O-N 2.98Å
106	V	42.1	Very low	46.1	Very low	125 Å²	125	116.7 Å²	116.7	76%	0.758	61%	0.605	S	S	*	*			trans	-68	100.6	168.4	-179.5	0	0	0	106	G104 S108	G104-V106 PolarHBondContact O-N 3.33Å; G104-V106 VanDerWaalsContact O-N 3.09Å; V106-S108 PolarHBondContact O-N 2.85Å
107	H	43.9	Very low	47.3	Very low	123 Å²	123	114.5 Å²	114.5	57%	0.569	60%	0.595	S	S	*	*			trans	-66	104.2	164.1	-70	-92	0	0	106.1	K105 Y109	K105-H107 VanDerWaalsContact C-N 3.35Å; K105-H107 PolarHBondContact O-CD2 3.09Å; K105-H107 PolarHBondContact O-N 2.98Å; H107-Y109 HydrophobicContact CB-CD2 4.13Å; H107-Y109 HydrophobicContact CB-CE2 3.58Å; H107-Y109 WeakPolarHBondContact O-CD2 3.35Å; H107-Y109 PolarHBondContact O-N 2.86Å
108	S	45.8	Very low	48.2	Very low	96 Å²	96	116.7 Å²	116.7	67%	0.671	60%	0.604	S	S	*	*			trans	-64.1	104.6	169.1	173	0	0	0	107.1	V106 G110	V106-S108 PolarHBondContact O-N 2.85Å; S108-G110 PolarHBondContact O-N 2.79Å; S108-G110 PolarHBondContact OG-N 2.84Å; S108-G110 PolarHBondContact OG-O 2.84Å
109	Y	49.5	Very low	48.9	Very low	185 Å²	185	117.9 Å²	117.9	73%	0.725	60%	0.601	S	S	*	*			trans	-83.4	29.5	170.8	-69.9	-77.6	0	0	111.4	H107	H107-Y109 HydrophobicContact CB-CD2 4.13Å; H107-Y109 HydrophobicContact CB-CE2 3.58Å; H107-Y109 WeakPolarHBondContact O-CD2 3.35Å; H107-Y109 PolarHBondContact O-N 2.86Å
110	G	56.3	Low	50.1	Low	23 Å²	23	117.1 Å²	117.1	24%	0.237	60%	0.596	C	S	.	*	S	Bend	trans	116.3	-176.6	-171.2	0	0	0	0	113.7	D76 S108 Q112	D76-G110 VanDerWaalsContact OD2-C 3.29Å; D76-G110 WeakPolarHBondContact OD2-CA 3.26Å; S108-G110 PolarHBondContact O-N 2.79Å; S108-G110 PolarHBondContact OG-N 2.84Å; S108-G110 PolarHBondContact OG-O 2.84Å; G110-Q112 PolarHBondContact O-N 3.22Å
111	K	62.6	Low	51.1	Low	160 Å²	160	113.3 Å²	113.3	70%	0.696	58%	0.583	S	S	*	*			trans	-62.3	127.7	172.1	-69.5	179.9	179.9	178.8	108.6	D76	D76-K111 VanDerWaalsContact CG-N 3.33Å; D76-K111 PolarHBondContact N-O 2.91Å; D76-K111 PolarHBondContact OD2-N 2.89Å
112	Q	61.4	Low	51.8	Low	89 Å²	89	111.2 Å²	111.2	42%	0.416	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	118.4	174.5	-66.1	-177.1	-6.2	0	107.5	N74 A75 G110 V114	N74-Q112 WeakPolarHBondContact O-CA 3.45Å; A75-Q112 HydrophobicContact CB-CG 4.31Å; G110-Q112 PolarHBondContact O-N 3.22Å; Q112-V114 HydrophobicContact CB-CG2 4.24Å
113	N	60.1	Low	52.9	Low	96 Å²	96	109 Å²	109	51%	0.513	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.8	105.9	172.2	-76.9	-40.5	0	0	107.3	G73 N74	G73-N113 WeakPolarHBondContact CA-O 3.48Å; N74-N113 PolarHBondContact N-O 3.42Å; N74-N113 VanDerWaalsContact N-O 3.14Å; N74-N113 PolarHBondContact O-N 3.22Å
114	V	61.9	Low	53.8	Low	86 Å²	86	105.8 Å²	105.8	52%	0.521	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.4	-176.9	174.5	0	0	0	111.4	Y81 Q112	Y81-V114 HydrophobicContact CE1-CB 4.33Å; Y81-V114 HydrophobicContact CE1-CG2 3.72Å; Y81-V114 WeakPolarHBondContact OH-CA 2.92Å; Y81-V114 WeakPolarHBondContact OH-CB 3.19Å; Y81-V114 WeakPolarHBondContact OH-CG1 3.42Å; Y81-V114 WeakPolarHBondContact OH-CG2 3.24Å; Q112-V114 HydrophobicContact CB-CG2 4.24Å
115	K	63.9	Low	54.8	Low	100 Å²	100	107.4 Å²	107.4	44%	0.435	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132	165.6	-70.8	-177.8	180	176.1	109.2	A71 Y72 Y81	A71-K115 CarbonylContact C-O 3.41Å; A71-K115 WeakPolarHBondContact CA-O 3.38Å; Y72-K115 HydrophobicContact CD2-CB 3.95Å; Y72-K115 HydrophobicContact CE1-CB 4Å; Y72-K115 HydrophobicContact CE2-CB 3.4Å; Y72-K115 VanDerWaalsContact CE2-CB 3.4Å; Y72-K115 HydrophobicContact CE2-CD 3.69Å; Y72-K115 HydrophobicContact CE2-CG 4.12Å; Y72-K115 HydrophobicContact CG-CB 4.48Å; Y72-K115 VanDerWaalsContact CZ-CB 3.42Å; Y72-K115 PolarHBondContact N-O 3.15Å; Y72-K115 PolarHBondContact O-N 2.72Å; Y81-K115 PolarHBondContact OH-N 3.3Å; Y81-K115 VanDerWaalsContact OH-N 3.17Å
116	A	60	Low	55.2	Low	56 Å²	56	101.1 Å²	101.1	46%	0.463	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.6	177.1	0	0	0	0	110.6	F69 I70 A71	F69-A116 HydrophobicContact CE2-CB 3.8Å; F69-A116 HydrophobicContact CZ-CB 4Å; I70-A116 CarbonylContact O-C 3.53Å; I70-A116 VanDerWaalsContact O-CA 3.26Å; I70-A116 WeakPolarHBondContact O-CA 3.32Å; A71-A116 HydrophobicContact CB-CB 4.38Å
117	K	62.3	Low	55.3	Low	131 Å²	131	101 Å²	101	57%	0.57	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.7	170.5	-66.9	-175.9	-178.9	-178.8	107.9	I70 Y72	I70-K117 PolarHBondContact N-O 2.93Å; I70-K117 PolarHBondContact O-N 3.26Å; Y72-K117 HydrophobicContact CE1-CG 4.36Å
118	F	61.5	Low	55.3	Low	165 Å²	165	96.9 Å²	96.9	72%	0.724	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.4	174	72.3	-87.3	0	0	109.4	K68 F69	K68-F118 CarbonylContact O-C 3.59Å; K68-F118 WeakPolarHBondContact O-CA 3.43Å; F69-F118 HydrophobicContact CD2-CB 4.39Å
119	N	55.3	Low	55.2	Low	98 Å²	98	100.9 Å²	100.9	52%	0.524	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.2	172.5	-175.6	-61	0	0	108.5	G67 K68	G67-N119 CarbonylContact C-O 3.49Å; G67-N119 WeakPolarHBondContact CA-O 2.93Å; K68-N119 PolarHBondContact N-O 2.78Å; K68-N119 PolarHBondContact O-N 3.11Å
120	I	60.4	Low	54.8	Low	103 Å²	103	98.4 Å²	98.4	53%	0.528	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.8	176.6	-58.2	172.9	0	0	107.3	T65 F87	T65-I120 HydrophobicContact CG2-CG2 4.07Å; F87-I120 HydrophobicContact CE2-CG1 3.93Å; F87-I120 HydrophobicContact CZ-CD1 4.47Å; F87-I120 HydrophobicContact CZ-CG1 3.76Å
121	E	54.5	Low	54	Low	71 Å²	71	104.2 Å²	104.2	33%	0.332	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.9	176.2	-173	-173.7	-166.6	0	109.8	T65 Q66 K123	T65-E121 WeakPolarHBondContact CA-O 3.14Å; Q66-E121 HydrophobicContact CG-CB 4.23Å; Q66-E121 PolarHBondContact N-O 3.28Å; Q66-E121 PolarHBondContact NE2-OE2 2.92Å; Q66-E121 PolarHBondContact O-N 2.99Å; E121-K123 VanDerWaalsContact CD-CE 3.41Å; E121-K123 WeakPolarHBondContact OE1-CE 3.04Å; E121-K123 IonicContact OE1-NZ 3.2Å; E121-K123 PolarHBondContact OE1-NZ 2.81Å
122	S	48.7	Very low	52.6	Low	75 Å²	75	99.6 Å²	99.6	52%	0.524	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.3	174.4	-72.8	0	0	0	110.5	H64 T65	H64-S122 CarbonylContact O-C 3.51Å; H64-S122 WeakPolarHBondContact O-CA 3.37Å; T65-S122 WeakPolarHBondContact CG2-OG 3.41Å; T65-S122 PolarHBondContact OG1-OG 2.61Å
123	K	56.2	Low	51.3	Low	73 Å²	73	97.8 Å²	97.8	32%	0.317	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.1	174.9	-64.6	-174.6	-176	178.6	110.1	H64 E121 Y125	H64-K123 PolarHBondContact N-O 2.77Å; H64-K123 PolarHBondContact O-N 2.82Å; E121-K123 VanDerWaalsContact CD-CE 3.41Å; E121-K123 WeakPolarHBondContact OE1-CE 3.04Å; E121-K123 IonicContact OE1-NZ 3.2Å; E121-K123 PolarHBondContact OE1-NZ 2.81Å; K123-Y125 HydrophobicContact CB-CD2 4.35Å; K123-Y125 HydrophobicContact CB-CE2 3.7Å; K123-Y125 WeakPolarHBondContact CD-OH 3.16Å
124	L	54.2	Low	50.1	Low	122 Å²	122	99.8 Å²	99.8	64%	0.639	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.6	170.7	178.4	65.9	0	0	109.2	I63	I63-L124 HydrophobicContact CG1-CD1 3.59Å
125	Y	53.1	Low	49.1	Very low	85 Å²	85	101 Å²	101	33%	0.333	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.9	172.3	-62.7	-79.5	0	0	109.2	H55 G61 K62 H64 K123	H55-Y125 AromaticContact CE1-CD1 3.26Å; H55-Y125 WeakPolarHBondContact CE1-CD1 3.43Å; H55-Y125 AromaticContact CE1-CE1 3.55Å; H55-Y125 AromaticContact CE1-CG 3.7Å; H55-Y125 AromaticContact ND1-CD1 3.51Å; H55-Y125 AromaticContact ND1-CG 3.47Å; G61-Y125 CarbonylContact C-O 3.53Å; G61-Y125 WeakPolarHBondContact CA-O 3.42Å; K62-Y125 PolarHBondContact N-O 3.36Å; K62-Y125 PolarHBondContact O-N 2.77Å; H64-Y125 HydrophobicContact CB-CD2 3.88Å; H64-Y125 HydrophobicContact CB-CE2 3.59Å; K123-Y125 HydrophobicContact CB-CD2 4.35Å; K123-Y125 HydrophobicContact CB-CE2 3.7Å; K123-Y125 WeakPolarHBondContact CD-OH 3.16Å
126	S	46.3	Very low	47.5	Very low	62 Å²	62	101.7 Å²	101.7	43%	0.434	54%	0.536	S	S	.	.			trans	-120.1	134	173.1	-174.1	0	0	0	110.4	G128	S126-G128 VanDerWaalsContact C-N 3.29Å; S126-G128 PolarHBondContact OG-N 3.46Å
127	K	44.3	Very low	46.1	Very low	121 Å²	121	106.6 Å²	106.6	53%	0.526	55%	0.549	S	S	.	.			trans	-80.7	-12.9	164.6	-83.4	-167.2	-173.2	-180	112.4	N57 K129	N57-K127 PolarHBondContact OD1-NZ 3.09Å; K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 3.26Å
128	G	43.6	Very low	44.9	Very low	38 Å²	38	105.4 Å²	105.4	39%	0.392	55%	0.549	S	S	.	.			trans	-54.9	102.6	173.3	0	0	0	0	107.3	S126 Y130	S126-G128 VanDerWaalsContact C-N 3.29Å; S126-G128 PolarHBondContact OG-N 3.46Å; G128-Y130 PolarHBondContact O-N 2.99Å
129	K	42.6	Very low	43.6	Very low	179 Å²	179	100 Å²	100	78%	0.778	53%	0.534	S	S	*	.			trans	-50.6	118.4	153.8	-74.7	-175.9	177	-177.4	102.9	K127 N131	K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 3.26Å; K129-N131 PolarHBondContact O-N 2.65Å
130	Y	41	Very low	42.6	Very low	133 Å²	133	98 Å²	98	52%	0.522	54%	0.538	S	S	.	.			trans	-57.5	95.7	165.2	-177.1	-99.9	0	0	105.5	G128 G132 G133 F135	G128-Y130 PolarHBondContact O-N 2.99Å; Y130-G132 PolarHBondContact O-N 2.81Å; Y130-G133 PolarHBondContact OH-O 2.74Å; Y130-F135 HydrophobicContact CE1-CB 4.32Å; Y130-F135 WeakPolarHBondContact OH-CA 3.03Å; Y130-F135 PolarHBondContact OH-N 2.82Å
131	N	40.9	Very low	41.5	Very low	146 Å²	146	100.3 Å²	100.3	78%	0.781	56%	0.557	S	S	*	*			trans	-77.5	74	-179.9	-88.7	-7.5	0	0	106.5	K129 G133	K129-N131 PolarHBondContact O-N 2.65Å; N131-G133 VanDerWaalsContact C-N 3.27Å; N131-G133 PolarHBondContact O-N 2.87Å
132	G	32.9	Very low	40.6	Very low	62 Å²	62	99.6 Å²	99.6	64%	0.639	57%	0.569	S	S	*	*	S	Bend	trans	58	24.3	145.5	0	0	0	0	118	Y130 K134	Y130-G132 PolarHBondContact O-N 2.81Å; G132-K134 PolarHBondContact O-N 2.78Å
133	G	33.9	Very low	40.1	Very low	52 Å²	52	102.5 Å²	102.5	54%	0.536	59%	0.589	S	S	.	*	S	Bend	trans	-78.5	61.5	159.5	0	0	0	0	109.1	Y130 N131 F135	Y130-G133 PolarHBondContact OH-O 2.74Å; N131-G133 VanDerWaalsContact C-N 3.27Å; N131-G133 PolarHBondContact O-N 2.87Å; G133-F135 PolarHBondContact O-N 2.95Å
134	K	34.7	Very low	39.4	Very low	137 Å²	137	100.9 Å²	100.9	60%	0.596	59%	0.593	S	S	*	*			trans	-3.7	114.1	-173.4	-64.9	-176.3	174.7	-170.9	114.3	G132 D136 Q137	G132-K134 PolarHBondContact O-N 2.78Å; K134-D136 HydrophobicContact CB-CB 3.96Å; K134-D136 PolarHBondContact O-N 3.14Å; K134-Q137 PolarHBondContact O-N 2.75Å
135	F	40.2	Very low	38.6	Very low	112 Å²	112	104.7 Å²	104.7	49%	0.491	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-53.8	-19.4	171.8	-161.4	-96.1	0	0	112.2	Y130 G133 Q137 L138 A139 I151	Y130-F135 HydrophobicContact CE1-CB 4.32Å; Y130-F135 WeakPolarHBondContact OH-CA 3.03Å; Y130-F135 PolarHBondContact OH-N 2.82Å; G133-F135 PolarHBondContact O-N 2.95Å; F135-Q137 PolarHBondContact O-N 2.81Å; F135-Q137 VanDerWaalsContact O-N 3.13Å; F135-L138 PolarHBondContact O-N 3.17Å; F135-A139 PolarHBondContact O-N 2.82Å; F135-A139 VanDerWaalsContact O-N 3.1Å; F135-I151 HydrophobicContact CE1-CD1 3.62Å; F135-I151 HydrophobicContact CZ-CD1 3.59Å
136	D	31.4	Very low	37.8	Very low	115 Å²	115	107.3 Å²	107.3	62%	0.615	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-51.3	-23.4	167.9	-57.5	-19.8	0	0	115.4	K134	K134-D136 HydrophobicContact CB-CB 3.96Å; K134-D136 PolarHBondContact O-N 3.14Å
137	Q	30	Very low	37.2	Very low	158 Å²	158	108.3 Å²	108.3	74%	0.738	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-88.9	-24.2	178.8	-71.8	-168.3	3.5	0	113.7	K134 F135	K134-Q137 PolarHBondContact O-N 2.75Å; F135-Q137 PolarHBondContact O-N 2.81Å; F135-Q137 VanDerWaalsContact O-N 3.13Å
138	L	38.3	Very low	36.9	Very low	106 Å²	106	112.3 Å²	112.3	56%	0.555	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-29.7	174	-77.1	163.5	0	0	111.5	F135 G140	F135-L138 PolarHBondContact O-N 3.17Å; L138-G140 PolarHBondContact O-N 3Å
139	A	34.1	Very low	36.5	Very low	51 Å²	51	114.4 Å²	114.4	42%	0.421	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	79.6	161.8	0	0	0	0	108.3	F135 T141	F135-A139 PolarHBondContact O-N 2.82Å; F135-A139 VanDerWaalsContact O-N 3.1Å; A139-T141 PolarHBondContact O-N 3.47Å
140	G	33.7	Very low	36	Very low	58 Å²	58	111.8 Å²	111.8	60%	0.598	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	96	-177.4	0	0	0	0	112.1	L138 G142	L138-G140 PolarHBondContact O-N 3Å; G140-G142 PolarHBondContact O-N 3.03Å
141	T	36.1	Very low	35.9	Very low	150 Å²	150	108.8 Å²	108.8	92%	0.92	65%	0.649	S	S	*	*	S	Bend	trans	42.5	19.6	164.5	49.6	0	0	0	117.9	A139	A139-T141 PolarHBondContact O-N 3.47Å
142	G	36.5	Very low	35.7	Very low	57 Å²	57	104.2 Å²	104.2	59%	0.588	63%	0.627	S	S	*	*			trans	-89	115.3	173.5	0	0	0	0	107.8	G140 G144	G140-G142 PolarHBondContact O-N 3.03Å; G142-G144 PolarHBondContact O-N 2.98Å
143	S	37.9	Very low	36.2	Very low	135 Å²	135	108.4 Å²	108.4	94%	0.944	63%	0.634	S	S	*	*			trans	-67.5	40.3	-178.6	52.4	0	0	0	114.4
144	G	41.6	Very low	36.5	Very low	39 Å²	39	113 Å²	113	40%	0.402	64%	0.641	S	S	.	*			trans	-99.4	107.1	176.9	0	0	0	0	110.8	G142 Y146	G142-G144 PolarHBondContact O-N 2.98Å; G144-Y146 VanDerWaalsContact C-N 3.29Å; G144-Y146 WeakPolarHBondContact O-CD2 3.21Å; G144-Y146 PolarHBondContact O-N 3.48Å
145	Q	37.7	Very low	36.6	Very low	202 Å²	202	114.3 Å²	114.3	94%	0.944	64%	0.644	S	S	*	*			trans	-70.6	83.8	169.5	-66.5	-179.8	-47.5	0	109.4
146	Y	35.9	Very low	36.5	Very low	141 Å²	141	112.3 Å²	112.3	55%	0.553	65%	0.647	S	S	*	*			trans	-90.4	126	168.2	-60.3	-74.1	0	0	109.1	G144	G144-Y146 VanDerWaalsContact C-N 3.29Å; G144-Y146 WeakPolarHBondContact O-CD2 3.21Å; G144-Y146 PolarHBondContact O-N 3.48Å
147	S	33.9	Very low	36.7	Very low	82 Å²	82	110.1 Å²	110.1	57%	0.573	65%	0.645	S	S	*	*			trans	-64	154.5	172.8	-65	0	0	0	110.6	G149 Q150	S147-G149 PolarHBondContact O-N 2.83Å; S147-Q150 WeakPolarHBondContact O-CB 3.46Å; S147-Q150 PolarHBondContact O-N 3.45Å
148	E	38.2	Very low	36.7	Very low	206 Å²	206	109.7 Å²	109.7	96%	0.963	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.7	121.2	179.4	-167.6	171.9	-171.3	0	111.5
149	G	34.3	Very low	36.5	Very low	81 Å²	81	107.4 Å²	107.4	84%	0.835	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.4	3.5	-179.5	0	0	0	0	116.9	S147	S147-G149 PolarHBondContact O-N 2.83Å
150	Q	33.7	Very low	36.3	Very low	124 Å²	124	109.8 Å²	109.8	58%	0.579	65%	0.654	S	S	*	*			trans	-103.7	12.1	-179.2	-66.2	-170.8	-41	0	115.5	S147 P152	S147-Q150 WeakPolarHBondContact O-CB 3.46Å; S147-Q150 PolarHBondContact O-N 3.45Å; Q150-P152 VanDerWaalsContact O-CD 3.23Å; Q150-P152 WeakPolarHBondContact O-CD 3.44Å
151	I	37.8	Very low	36.2	Very low	70 Å²	70	109.9 Å²	109.9	36%	0.359	65%	0.654	S	S	.	*			trans	-68.6	119.6	-178.3	-45.6	174.2	0	0	109	F135 I153	F135-I151 HydrophobicContact CE1-CD1 3.62Å; F135-I151 HydrophobicContact CZ-CD1 3.59Å; I151-I153 PolarHBondContact O-N 2.82Å
152	P	37.3	Very low	36.2	Very low	50 Å²	50	108.1 Å²	108.1	33%	0.325	65%	0.649	S	S	.	*			trans	-59.7	135.6	171.3	-18.1	30.9	0	0	109.4	Q150 E154 Y155	Q150-P152 VanDerWaalsContact O-CD 3.23Å; Q150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-E154 PolarHBondContact O-N 2.67Å; P152-Y155 HydrophobicContact CB-CD2 4.14Å; P152-Y155 HydrophobicContact CG-CD2 4.31Å; P152-Y155 PolarHBondContact O-N 2.81Å
153	I	43.3	Very low	35.8	Very low	150 Å²	150	111.5 Å²	111.5	77%	0.769	66%	0.658	S	S	*	*	H	α-helix	trans	-50.3	-30.7	-174.8	-83.9	163.6	0	0	113.1	I151 Y155 A156	I151-I153 PolarHBondContact O-N 2.82Å; I153-Y155 PolarHBondContact O-N 3.4Å; I153-Y155 VanDerWaalsContact O-N 3.08Å; I153-A156 PolarHBondContact O-N 3.01Å; I153-A156 VanDerWaalsContact O-N 3.13Å
154	E	39.5	Very low	35.6	Very low	150 Å²	150	112.3 Å²	112.3	70%	0.701	64%	0.641	S	S	*	*	H	α-helix	trans	-52.9	-29.2	176.4	-54.8	177.9	-143.6	0	112.9	P152	P152-E154 PolarHBondContact O-N 2.67Å
155	Y	37.2	Very low	35	Very low	164 Å²	164	117.9 Å²	117.9	64%	0.643	66%	0.662	S	S	*	*	H	α-helix	trans	-106.9	-8.2	-177.5	-58.6	-80	0	0	114.1	P152 I153	P152-Y155 HydrophobicContact CB-CD2 4.14Å; P152-Y155 HydrophobicContact CG-CD2 4.31Å; P152-Y155 PolarHBondContact O-N 2.81Å; I153-Y155 PolarHBondContact O-N 3.4Å; I153-Y155 VanDerWaalsContact O-N 3.08Å
156	A	39	Very low	34.6	Very low	69 Å²	69	111.1 Å²	111.1	57%	0.57	64%	0.64	S	S	*	*	H	α-helix	trans	-81.9	-17.5	-174.8	0	0	0	0	113.6	I153	I153-A156 PolarHBondContact O-N 3.01Å; I153-A156 VanDerWaalsContact O-N 3.13Å
157	A	34.7	Very low	34.5	Very low	69 Å²	69	109.6 Å²	109.6	57%	0.57	65%	0.648	S	S	*	*	S	Bend	trans	-99.5	-6.9	-164.4	0	0	0	0	116.2
158	Y	31.1	Very low	34.2	Very low	149 Å²	149	112 Å²	112	58%	0.584	66%	0.659	S	S	*	*			trans	-117.3	74.6	-171.2	-62.8	-76.4	0	0	111.6	S160 Y164	Y158-S160 PolarHBondContact O-N 3.06Å; Y158-Y164 AromaticContact CD1-CE2 3.92Å; Y158-Y164 HydrophobicContact CD1-CE2 3.92Å; Y158-Y164 AromaticContact CE1-CE2 3.82Å; Y158-Y164 HydrophobicContact CE1-CE2 3.82Å; Y158-Y164 AromaticContact CE1-CZ 3.72Å; Y158-Y164 WeakPolarHBondContact CE1-OH 3.41Å
159	G	33.5	Very low	33.6	Very low	58 Å²	58	109.3 Å²	109.3	60%	0.598	65%	0.651	S	S	*	*			trans	-53.1	124.1	162.4	0	0	0	0	109.1	G161	G159-G161 PolarHBondContact O-N 3.41Å
160	S	30.2	Very low	33.1	Very low	102 Å²	102	116 Å²	116	71%	0.713	65%	0.653	S	S	*	*			trans	-64.2	78.3	177.6	57.6	0	0	0	110.9	Y158	Y158-S160 PolarHBondContact O-N 3.06Å
161	G	31.5	Very low	32.7	Very low	59 Å²	59	116.8 Å²	116.8	61%	0.608	66%	0.661	S	S	*	*			trans	-94.4	117.7	158.5	0	0	0	0	107.6	G159 T163	G159-G161 PolarHBondContact O-N 3.41Å; G161-T163 PolarHBondContact O-N 3.26Å
162	S	35.3	Very low	32.4	Very low	114 Å²	114	119.2 Å²	119.2	80%	0.797	68%	0.679	S	S	*	*	S	Bend	trans	-45.1	134.6	178.4	-177.5	0	0	0	111.3
163	T	29.2	Very low	31.8	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	70%	0.697	S	S	*	*			trans	77.5	69.9	-179.6	64.4	0	0	0	116.7	G161 N165	G161-T163 PolarHBondContact O-N 3.26Å; T163-N165 PolarHBondContact O-N 2.88Å
164	Y	32.2	Very low	31	Very low	152 Å²	152	121.5 Å²	121.5	60%	0.596	70%	0.695	S	S	*	*			trans	-75.8	94	156.8	-152.2	-100.2	0	0	108.3	Y158 A166	Y158-Y164 AromaticContact CD1-CE2 3.92Å; Y158-Y164 HydrophobicContact CD1-CE2 3.92Å; Y158-Y164 AromaticContact CE1-CE2 3.82Å; Y158-Y164 HydrophobicContact CE1-CE2 3.82Å; Y158-Y164 AromaticContact CE1-CZ 3.72Å; Y158-Y164 WeakPolarHBondContact CE1-OH 3.41Å; Y164-A166 HydrophobicContact CD1-CB 4.22Å; Y164-A166 HydrophobicContact CE1-CB 4.41Å; Y164-A166 PolarHBondContact O-N 2.72Å
165	N	28.7	Very low	30.3	Very low	156 Å²	156	120.2 Å²	120.2	83%	0.834	69%	0.693	S	S	*	*			trans	-66.1	98.4	151.8	-90.7	-11.5	0	0	105.2	T163	T163-N165 PolarHBondContact O-N 2.88Å
166	A	30.5	Very low	29.8	Very low	59 Å²	59	119 Å²	119	49%	0.488	70%	0.697	S	S	.	*			trans	-47.5	138.9	168.7	0	0	0	0	108.2	Y164 T168	Y164-A166 HydrophobicContact CD1-CB 4.22Å; Y164-A166 HydrophobicContact CE1-CB 4.41Å; Y164-A166 PolarHBondContact O-N 2.72Å; A166-T168 VanDerWaalsContact C-N 3.32Å; A166-T168 PolarHBondContact O-N 3.22Å
167	P	33.5	Very low	29.3	Very low	109 Å²	109	126 Å²	126	71%	0.708	71%	0.71	S	S	*	*			trans	-56.5	103.4	171.1	-15.6	26.9	0	0	106.7	N169	P167-N169 PolarHBondContact O-N 2.98Å
168	T	27.3	Very low	28.9	Very low	134 Å²	134	132.3 Å²	132.3	82%	0.822	72%	0.721	S	S	*	*			trans	-63.7	115	177	44.9	0	0	0	105.9	A166 Y170	A166-T168 VanDerWaalsContact C-N 3.32Å; A166-T168 PolarHBondContact O-N 3.22Å; T168-Y170 PolarHBondContact O-N 3.28Å
169	N	25.2	Very low	28.7	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	73%	0.73	S	S	*	*			trans	-42.3	126.2	174.5	-124.6	-23.8	0	0	109	P167 D171	P167-N169 PolarHBondContact O-N 2.98Å; N169-D171 PolarHBondContact O-N 3Å
170	Y	24.4	Very low	28.3	Very low	222 Å²	222	137.4 Å²	137.4	87%	0.871	74%	0.739	S	S	*	*			trans	-14.2	101.8	166.3	-73.5	-97.1	0	0	113.3	T168	T168-Y170 PolarHBondContact O-N 3.28Å
171	D	24.8	Very low	28.4	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	74%	0.741	S	S	*	*			trans	-117.1	95	154.6	-152.9	-12.4	0	0	108.5	N169 T173	N169-D171 PolarHBondContact O-N 3Å; D171-T173 VanDerWaalsContact C-N 3.34Å; D171-T173 PolarHBondContact O-N 2.73Å
172	T	32.1	Very low	28.1	Very low	121 Å²	121	144.4 Å²	144.4	74%	0.742	76%	0.755	S	S	*	*			trans	-55.9	89.8	164	32.8	0	0	0	110.1
173	T	25.2	Very low	27.5	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.693	75%	0.75	S	S	*	*			trans	-164.2	118.8	145.9	-6.6	0	0	0	114	D171	D171-T173 VanDerWaalsContact C-N 3.34Å; D171-T173 PolarHBondContact O-N 2.73Å
174	N	25.5	Very low	27.5	Very low	135 Å²	135	145.3 Å²	145.3	72%	0.722	76%	0.755	S	S	*	*			trans	65.3	114.7	145.9	-85.9	-19.1	0	0	122.4
175	N	25	Very low	27.2	Very low	123 Å²	123	143.3 Å²	143.3	66%	0.658	76%	0.764	S	S	*	*				84.3	111.6	127.2	-69.2	-37.3	0	0	120.5
176	N	26.2	Very low	27.4	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	76%	0.757	S	S	*	*			trans	43.4	106.4	131.5	-64.6	-27.7	0	0	116.9
177	Y	28.5	Very low	27.2	Very low	216 Å²	216	144.4 Å²	144.4	85%	0.847	77%	0.769	S	S	*	*			trans	-160.3	109.5	133.3	-112.9	-85.6	0	0	111.3
178	Y	26.2	Very low	27	Very low	202 Å²	202	146 Å²	146	79%	0.792	77%	0.772	S	S	*	*			trans	43	106.1	145	-73.4	-93.9	0	0	121.5
179	D	27.7	Very low	27.3	Very low	146 Å²	146	146.9 Å²	146.9	78%	0.781	77%	0.771	S	S	*	*				-3.6	115.3	124.2	-166	3.7	0	0	116.5
180	Q	26	Very low	27.5	Very low	169 Å²	169	142.9 Å²	142.9	79%	0.79	77%	0.765	S	S	*	*			trans	-167	110.3	136.9	-112.2	-174.6	-14	0	110.4
181	N	31	Very low	27.6	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	76%	0.762	S	S	*	*			trans	149.4	83.5	135.6	-75.2	-43.3	0	0	111.5
182	N	25.1	Very low	27.9	Very low	167 Å²	167	139.8 Å²	139.8	89%	0.893	76%	0.756	S	S	*	*				20.2	115.7	118.7	-97	-5.5	0	0	116.4
183	G	24.3	Very low	28.1	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	76%	0.756	S	S	*	*			trans	152.2	107.1	152	0	0	0	0	113
184	E	28.6	Very low	28.5	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	76%	0.759	S	S	*	*			trans	86.7	82.2	151.7	-53.8	-176.4	176	0	116	S186	E184-S186 VanDerWaalsContact C-N 3.33Å; E184-S186 PolarHBondContact O-N 2.67Å
185	S	26.4	Very low	28.8	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	76%	0.762	S	S	*	*			trans	-37.1	89.2	146.9	164	0	0	0	112.5
186	S	32.3	Very low	28.9	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	77%	0.771	S	S	*	*			trans	-102.4	96.6	146.2	-85	0	0	0	107.3	E184 D188	E184-S186 VanDerWaalsContact C-N 3.33Å; E184-S186 PolarHBondContact O-N 2.67Å; S186-D188 PolarHBondContact O-N 2.79Å
187	N	25.5	Very low	29	Very low	140 Å²	140	144.9 Å²	144.9	75%	0.749	77%	0.772	S	S	*	*			trans	-65.3	68.6	161	-90.4	-20.2	0	0	108.7	N189	N187-N189 VanDerWaalsContact C-N 3.3Å; N187-N189 PolarHBondContact O-N 2.7Å
188	D	30.9	Very low	29.2	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	76%	0.76	S	S	*	*			trans	-74.4	98.2	152.9	-77.3	-23.6	0	0	104.6	S186 G190	S186-D188 PolarHBondContact O-N 2.79Å; D188-G190 PolarHBondContact O-N 3.27Å
189	N	32	Very low	29.4	Very low	152 Å²	152	138 Å²	138	81%	0.813	76%	0.763	S	S	*	*			trans	-55.8	91.4	172.3	-85.1	-30.5	0	0	108.5	N187	N187-N189 VanDerWaalsContact C-N 3.3Å; N187-N189 PolarHBondContact O-N 2.7Å
190	G	28.9	Very low	29.9	Very low	63 Å²	63	145.7 Å²	145.7	65%	0.649	78%	0.783	S	S	*	*			trans	-56.9	132.3	164.6	0	0	0	0	108.3	D188 S192	D188-G190 PolarHBondContact O-N 3.27Å; G190-S192 PolarHBondContact O-N 3.46Å
191	Y	28.1	Very low	30.1	Very low	209 Å²	209	144.6 Å²	144.6	82%	0.82	78%	0.783	S	S	*	*			trans	-49.5	104.1	165.1	-103.6	-110	0	0	109.3	A193	Y191-A193 PolarHBondContact O-N 3.19Å
192	S	31.4	Very low	30	Very low	89 Å²	89	144.7 Å²	144.7	62%	0.622	78%	0.784	S	S	*	*			trans	-77.5	110.1	158	-172.1	0	0	0	106.6	G190 D194	G190-S192 PolarHBondContact O-N 3.46Å; S192-D194 PolarHBondContact O-N 3.32Å; S192-D194 PolarHBondContact OG-OD1 3.05Å
193	A	35.7	Very low	30.3	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	78%	0.778	S	S	*	*			trans	-71.2	82.6	167	0	0	0	0	107.7	Y191 T195	Y191-A193 PolarHBondContact O-N 3.19Å; A193-T195 PolarHBondContact O-N 2.86Å
194	D	32.8	Very low	30.7	Very low	139 Å²	139	148 Å²	148	74%	0.743	78%	0.784	S	S	*	*			trans	-65	105.5	174.4	-71.6	-11.6	0	0	108.5	S192 Y196	S192-D194 PolarHBondContact O-N 3.32Å; S192-D194 PolarHBondContact OG-OD1 3.05Å; D194-Y196 PolarHBondContact O-N 3.23Å
195	T	32.4	Very low	30.8	Very low	130 Å²	130	145.2 Å²	145.2	80%	0.798	78%	0.776	S	S	*	*			trans	-48.2	118.7	173.3	26.2	0	0	0	111.3	A193 Q197	A193-T195 PolarHBondContact O-N 2.86Å; T195-Q197 PolarHBondContact O-N 2.9Å
196	Y	26.4	Very low	31.1	Very low	212 Å²	212	147.5 Å²	147.5	83%	0.831	78%	0.776	S	S	*	*			trans	-64.5	110.6	172.9	-161.3	-94.8	0	0	110	D194 P198	D194-Y196 PolarHBondContact O-N 3.23Å; Y196-P198 HydrophobicContact CE1-CB 4.3Å
197	Q	28.3	Very low	31	Very low	166 Å²	166	151 Å²	151	78%	0.776	78%	0.783	S	S	*	*			trans	-100.5	108.4	167.1	-80	-88.9	-43.2	0	108.1	T195 Q199	T195-Q197 PolarHBondContact O-N 2.9Å; Q197-Q199 PolarHBondContact O-N 3.39Å
198	P	32.6	Very low	31.4	Very low	90 Å²	90	151.8 Å²	151.8	58%	0.584	79%	0.785	S	S	*	*			trans	-71	118.3	175.1	27.1	-29.6	0	0	109.4	Y196	Y196-P198 HydrophobicContact CE1-CB 4.3Å
199	Q	30.2	Very low	31.5	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	79%	0.787	S	S	*	*			trans	-82.7	130	165.7	-70.5	-92.3	-75.9	0	108.2	Q197	Q197-Q199 PolarHBondContact O-N 3.39Å
200	Y	39.2	Very low	31.5	Very low	307 Å²	307	152.6 Å²	152.6	100%	1.204	79%	0.785	S	S	*	*			trans	-59.8	0	178.1	-73.3	-90.3	0	0	113.1

Retrieved 200 of 200 residues in 25.3 ms (Link to these results)

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