A0A5K4F9D1_SCHMA Loading...

Trematode Eggshell Synthesis domain containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9D1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.4	Low	62.2	Low	221 Å²	221	118.6 Å²	118.6	100%	1.089	62%	0.622	S	S	*	*				0	-8.5	0	-72.1	179.5	77.6	0	0	115.7
2	K	55	Low	61.7	Low	190 Å²	190	115.3 Å²	115.3	83%	0.826	61%	0.61	S	S	*	*	H	α-helix	trans	-75.4	-29	-176.4	-66.6	-176.9	177.3	179.6	0	115.1
3	I	61.9	Low	61.2	Low	142 Å²	142	114.2 Å²	114.2	73%	0.728	60%	0.604	S	S	*	*	H	α-helix	trans	-70.6	-36.6	-176.7	-82.1	157.6	0	0	0	113.4	S5 V6 C7	I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 2.98Å; I3-V6 PolarHBondContact O-N 3.27Å; I3-C7 PolarHBondContact O-N 3.47Å
4	L	57.2	Low	60.7	Low	132 Å²	132	116.8 Å²	116.8	69%	0.691	61%	0.608	S	S	*	*	H	α-helix	trans	-65.9	-35.1	178.6	-92	148.8	0	0	0	112.8	C7 L8	L4-C7 PolarHBondContact O-N 3.05Å; L4-L8 PolarHBondContact O-N 3.3Å
5	S	60.4	Low	59.9	Low	68 Å²	68	114.3 Å²	114.3	48%	0.476	60%	0.599	S	S	.	*	H	α-helix	trans	-68.5	-36.9	177.9	178.5	0	0	0	0	112.1	I3 L8 I9	I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 2.98Å; S5-L8 PolarHBondContact O-N 2.78Å; S5-I9 WeakPolarHBondContact O-CG1 3.49Å; S5-I9 PolarHBondContact O-N 3.18Å
6	V	69.5	Low	59.1	Low	82 Å²	82	111.9 Å²	111.9	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-67.1	-41	177.1	177.7	0	0	0	0	111.2	I3 L8 I9 I10	I3-V6 PolarHBondContact O-N 3.27Å; V6-L8 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 2.89Å; V6-I9 PolarHBondContact O-N 3.37Å; V6-I10 HydrophobicContact CG1-CD1 3.86Å; V6-I10 WeakPolarHBondContact O-CG1 3.34Å; V6-I10 PolarHBondContact O-N 3.49Å; V6-I10 VanDerWaalsContact O-N 3.1Å
7	C	62.4	Low	58.1	Low	66 Å²	66	111.1 Å²	111.1	45%	0.446	58%	0.584	S	S	.	*	H	α-helix	trans	-63	-39.6	176.7	-67.3	0	0	0	0	112.6	I3 L4 I10 I11	I3-C7 PolarHBondContact O-N 3.47Å; L4-C7 PolarHBondContact O-N 3.05Å; C7-I10 PolarHBondContact O-N 3.46Å; C7-I11 WeakPolarHBondContact O-CD1 3.07Å; C7-I11 VanDerWaalsContact O-CG1 3.27Å; C7-I11 WeakPolarHBondContact O-CG1 3.28Å; C7-I11 PolarHBondContact O-N 2.69Å
8	L	60.8	Low	57.1	Low	114 Å²	114	109.4 Å²	109.4	60%	0.597	58%	0.58	S	S	*	*	H	α-helix	trans	-64.1	-39.3	177.6	-106.7	151.9	0	0	0	112.4	L4 S5 V6 I11 T12	L4-L8 PolarHBondContact O-N 3.3Å; S5-L8 PolarHBondContact O-N 2.78Å; V6-L8 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 2.89Å; L8-I11 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 VanDerWaalsContact O-N 3.12Å; L8-T12 PolarHBondContact O-OG1 3.05Å
9	I	67.8	Low	56	Low	94 Å²	94	108.9 Å²	108.9	48%	0.482	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-37.5	177.5	-65.8	165.4	0	0	0	111.5	S5 V6 T12 L13	S5-I9 WeakPolarHBondContact O-CG1 3.49Å; S5-I9 PolarHBondContact O-N 3.18Å; V6-I9 PolarHBondContact O-N 3.37Å; I9-T12 WeakPolarHBondContact CA-OG1 3.27Å; I9-T12 PolarHBondContact O-OG1 3.44Å; I9-L13 HydrophobicContact CG2-CD1 4.28Å; I9-L13 PolarHBondContact O-N 3.36Å; I9-L13 VanDerWaalsContact O-N 3.15Å
10	I	68.3	Low	54.8	Low	89 Å²	89	110 Å²	110	46%	0.456	58%	0.578	S	S	.	*	H	α-helix	trans	-68.4	-39.4	177.7	-66.9	167.2	0	0	0	110.8	V6 C7 L13 F14	V6-I10 HydrophobicContact CG1-CD1 3.86Å; V6-I10 WeakPolarHBondContact O-CG1 3.34Å; V6-I10 PolarHBondContact O-N 3.49Å; V6-I10 VanDerWaalsContact O-N 3.1Å; C7-I10 PolarHBondContact O-N 3.46Å; I10-L13 PolarHBondContact O-N 3.36Å; I10-F14 HydrophobicContact CG2-CD2 4.15Å; I10-F14 HydrophobicContact CG2-CE2 4.43Å; I10-F14 PolarHBondContact O-N 3.35Å; I10-F14 VanDerWaalsContact O-N 3.08Å
11	I	64.6	Low	53.6	Low	107 Å²	107	113.1 Å²	113.1	55%	0.549	58%	0.583	S	S	.	*	H	α-helix	trans	-66	-43.3	178.5	-68.5	164.6	0	0	0	110.9	C7 L8 L13 F14 V15	C7-I11 WeakPolarHBondContact O-CD1 3.07Å; C7-I11 VanDerWaalsContact O-CG1 3.27Å; C7-I11 WeakPolarHBondContact O-CG1 3.28Å; C7-I11 PolarHBondContact O-N 2.69Å; L8-I11 PolarHBondContact O-N 2.96Å; I11-L13 PolarHBondContact O-N 3.03Å; I11-F14 PolarHBondContact O-N 2.77Å; I11-V15 HydrophobicContact CG2-CG2 4.5Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 2.95Å; I11-V15 VanDerWaalsContact O-N 3.08Å
12	T	56.6	Low	52.4	Low	78 Å²	78	108.4 Å²	108.4	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-65.1	-38.3	177.9	47.7	0	0	0	0	112.4	L8 I9 V15 T16	L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 VanDerWaalsContact O-N 3.12Å; L8-T12 PolarHBondContact O-OG1 3.05Å; I9-T12 WeakPolarHBondContact CA-OG1 3.27Å; I9-T12 PolarHBondContact O-OG1 3.44Å; T12-V15 PolarHBondContact O-N 3.23Å; T12-T16 WeakPolarHBondContact O-CG2 3.37Å; T12-T16 PolarHBondContact O-N 2.82Å; T12-T16 VanDerWaalsContact O-N 3.08Å; T12-T16 PolarHBondContact O-OG1 3.35Å; T12-T16 VanDerWaalsContact O-OG1 3.12Å
13	L	55.3	Low	51.2	Low	102 Å²	102	109 Å²	109	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-61.8	-40.3	173.2	-97.3	156.7	0	0	0	112.9	I9 I10 I11 T16 M17	I9-L13 HydrophobicContact CG2-CD1 4.28Å; I9-L13 PolarHBondContact O-N 3.36Å; I9-L13 VanDerWaalsContact O-N 3.15Å; I10-L13 PolarHBondContact O-N 3.36Å; I11-L13 PolarHBondContact O-N 3.03Å; L13-T16 PolarHBondContact O-OG1 2.89Å; L13-M17 WeakPolarHBondContact O-CB 3.31Å; L13-M17 VanDerWaalsContact O-CG 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 3.15Å; L13-M17 VanDerWaalsContact O-N 3.14Å
14	F	53.4	Low	49.6	Very low	150 Å²	150	110.4 Å²	110.4	66%	0.658	56%	0.564	S	S	*	*	H	α-helix	trans	-67.6	-38.9	177.5	-102.6	-84	0	0	0	112.6	I10 I11 T18	I10-F14 HydrophobicContact CG2-CD2 4.15Å; I10-F14 HydrophobicContact CG2-CE2 4.43Å; I10-F14 PolarHBondContact O-N 3.35Å; I10-F14 VanDerWaalsContact O-N 3.08Å; I11-F14 PolarHBondContact O-N 2.77Å; F14-T18 PolarHBondContact O-N 3.03Å; F14-T18 PolarHBondContact O-OG1 2.98Å
15	V	49.3	Very low	48.3	Very low	79 Å²	79	107.9 Å²	107.9	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-68.6	-41	179.3	174.5	0	0	0	0	111.2	I11 T12 T18 I19	I11-V15 HydrophobicContact CG2-CG2 4.5Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 2.95Å; I11-V15 VanDerWaalsContact O-N 3.08Å; T12-V15 PolarHBondContact O-N 3.23Å; V15-T18 PolarHBondContact O-OG1 2.85Å; V15-T18 VanDerWaalsContact O-OG1 3.11Å; V15-I19 HydrophobicContact CG1-CD1 4Å; V15-I19 WeakPolarHBondContact O-CD1 3.07Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.39Å; V15-I19 PolarHBondContact O-N 3.16Å
16	T	46.2	Very low	46.8	Very low	77 Å²	77	112 Å²	112	47%	0.472	57%	0.569	S	S	.	*	H	α-helix	trans	-71.7	-38.7	179.8	53.3	0	0	0	0	112.8	T12 L13 T18 I19 Q20	T12-T16 WeakPolarHBondContact O-CG2 3.37Å; T12-T16 PolarHBondContact O-N 2.82Å; T12-T16 VanDerWaalsContact O-N 3.08Å; T12-T16 PolarHBondContact O-OG1 3.35Å; T12-T16 VanDerWaalsContact O-OG1 3.12Å; L13-T16 PolarHBondContact O-OG1 2.89Å; T16-T18 PolarHBondContact O-N 3.47Å; T16-I19 PolarHBondContact O-N 3.14Å; T16-Q20 PolarHBondContact O-N 3.08Å; T16-Q20 VanDerWaalsContact O-N 3.09Å
17	M	42.9	Very low	44.7	Very low	97 Å²	97	112 Å²	112	48%	0.478	57%	0.571	S	S	.	*	H	α-helix	trans	-65.5	-36.5	175.9	-73.1	-112.7	86.9	0	0	112.5	L13 Q20 Y21	L13-M17 WeakPolarHBondContact O-CB 3.31Å; L13-M17 VanDerWaalsContact O-CG 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 3.15Å; L13-M17 VanDerWaalsContact O-N 3.14Å; M17-Q20 PolarHBondContact O-N 3.27Å; M17-Y21 WeakPolarHBondContact O-CB 2.89Å; M17-Y21 PolarHBondContact O-N 2.99Å
18	T	40.4	Very low	43.1	Very low	81 Å²	81	115.3 Å²	115.3	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-71.6	-30.2	177	32.5	0	0	0	0	113.1	F14 V15 T16 N22	F14-T18 PolarHBondContact O-N 3.03Å; F14-T18 PolarHBondContact O-OG1 2.98Å; V15-T18 PolarHBondContact O-OG1 2.85Å; V15-T18 VanDerWaalsContact O-OG1 3.11Å; T16-T18 PolarHBondContact O-N 3.47Å; T18-N22 PolarHBondContact O-N 3.09Å; T18-N22 PolarHBondContact O-ND2 3.34Å
19	I	35.3	Very low	41.6	Very low	101 Å²	101	119.1 Å²	119.1	52%	0.518	60%	0.596	S	S	.	*	H	α-helix	trans	-69.7	-42.5	173	-66.5	164.7	0	0	0	110.6	V15 T16	V15-I19 HydrophobicContact CG1-CD1 4Å; V15-I19 WeakPolarHBondContact O-CD1 3.07Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.39Å; V15-I19 PolarHBondContact O-N 3.16Å; T16-I19 PolarHBondContact O-N 3.14Å
20	Q	32.5	Very low	39.7	Very low	129 Å²	129	122.4 Å²	122.4	60%	0.603	60%	0.603	S	S	*	*	H	α-helix	trans	-67.2	-38.9	176.8	-78.7	-175	-39.6	0	0	113.1	T16 M17 N22 Y23	T16-Q20 PolarHBondContact O-N 3.08Å; T16-Q20 VanDerWaalsContact O-N 3.09Å; M17-Q20 PolarHBondContact O-N 3.27Å; Q20-N22 VanDerWaalsContact C-N 3.32Å; Q20-N22 PolarHBondContact O-N 3.21Å; Q20-Y23 PolarHBondContact O-N 3.41Å
21	Y	28.9	Very low	37.7	Very low	176 Å²	176	128.3 Å²	128.3	69%	0.69	62%	0.62	S	S	*	*	H	α-helix	trans	-66.8	-31.1	179.6	-113	-88.1	0	0	0	113.5	M17 Y23	M17-Y21 WeakPolarHBondContact O-CB 2.89Å; M17-Y21 PolarHBondContact O-N 2.99Å; Y21-Y23 VanDerWaalsContact C-N 3.28Å; Y21-Y23 PolarHBondContact O-N 3.45Å
22	N	32.3	Very low	35.9	Very low	123 Å²	123	134.5 Å²	134.5	66%	0.658	64%	0.636	S	S	*	*	H	α-helix	trans	-72.9	-19.4	176.3	-86.9	-41.6	0	0	0	113.5	T18 Q20	T18-N22 PolarHBondContact O-N 3.09Å; T18-N22 PolarHBondContact O-ND2 3.34Å; Q20-N22 VanDerWaalsContact C-N 3.32Å; Q20-N22 PolarHBondContact O-N 3.21Å
23	Y	29.2	Very low	34.3	Very low	201 Å²	201	138.6 Å²	138.6	79%	0.788	65%	0.65	S	S	*	*	H	α-helix	trans	-81.1	-20.1	178.2	-103.5	-88.5	0	0	0	113.9	Q20 Y21	Q20-Y23 PolarHBondContact O-N 3.41Å; Y21-Y23 VanDerWaalsContact C-N 3.28Å; Y21-Y23 PolarHBondContact O-N 3.45Å
24	Q	28.8	Very low	32.8	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.804	67%	0.667	S	S	*	*	S	Bend	trans	-97.7	-2.7	-171.8	-89.7	-175.3	-20.7	0	0	116.1
25	A	29.2	Very low	31.5	Very low	80 Å²	80	142.5 Å²	142.5	66%	0.661	67%	0.669	S	S	*	*			trans	-108.7	20.3	-170.9	0	0	0	0	0	115.9	P27	A25-P27 WeakPolarHBondContact O-CD 3.29Å
26	Y	28.4	Very low	30.4	Very low	153 Å²	153	146.4 Å²	146.4	60%	0.6	69%	0.687	S	S	*	*			trans	-89.2	113.8	172.3	-80	-84	0	0	0	111	N28	Y26-N28 PolarHBondContact O-N 3.23Å
27	P	25.9	Very low	29.5	Very low	83 Å²	83	151.4 Å²	151.4	54%	0.539	71%	0.705	S	S	.	*			trans	-62.6	133.9	176	24.6	-30.5	0	0	0	109.4	A25 K29 Y30	A25-P27 WeakPolarHBondContact O-CD 3.29Å; P27-K29 PolarHBondContact O-N 3.19Å; P27-Y30 HydrophobicContact CG-CD2 4.45Å; P27-Y30 HydrophobicContact CG-CE2 4.29Å; P27-Y30 PolarHBondContact O-N 3.48Å
28	N	30.3	Very low	28.8	Very low	135 Å²	135	155.5 Å²	155.5	72%	0.722	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-49.4	0.3	-178.9	-104.3	-26.8	0	0	0	116.6	Y26 Y30	Y26-N28 PolarHBondContact O-N 3.23Å; N28-Y30 VanDerWaalsContact C-N 3.32Å; N28-Y30 PolarHBondContact O-N 2.68Å
29	K	28.3	Very low	28.2	Very low	195 Å²	195	156.1 Å²	156.1	85%	0.848	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-78.4	-8.4	178.3	-66.4	-172.9	178.1	-176.7	0	114.3	P27	P27-K29 PolarHBondContact O-N 3.19Å
30	Y	27.5	Very low	27.9	Very low	162 Å²	162	156 Å²	156	64%	0.635	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-104.9	1.1	178.5	-62.3	-76	0	0	0	114.7	P27 N28 R32	P27-Y30 HydrophobicContact CG-CD2 4.45Å; P27-Y30 HydrophobicContact CG-CE2 4.29Å; P27-Y30 PolarHBondContact O-N 3.48Å; N28-Y30 VanDerWaalsContact C-N 3.32Å; N28-Y30 PolarHBondContact O-N 2.68Å; Y30-R32 VanDerWaalsContact C-N 3.27Å; Y30-R32 PolarHBondContact O-N 3.36Å
31	R	26.9	Very low	27.6	Very low	213 Å²	213	159.1 Å²	159.1	80%	0.804	73%	0.73	S	S	*	*			trans	-73	82.9	165.8	-97.5	-178.9	161.8	-177.2	-5	109.2
32	R	26.6	Very low	27.4	Very low	238 Å²	238	159 Å²	159	90%	0.898	73%	0.73	S	S	*	*			trans	-76.9	124.2	162.6	-76.3	-171.2	172.4	-160.1	-2.2	108.3	Y30	Y30-R32 VanDerWaalsContact C-N 3.27Å; Y30-R32 PolarHBondContact O-N 3.36Å
33	Q	23.7	Very low	27.2	Very low	164 Å²	164	159.9 Å²	159.9	77%	0.766	74%	0.735	S	S	*	*			trans	-50.1	143	179.9	-70.8	166	-54.3	0	0	111.9	N35	Q33-N35 VanDerWaalsContact C-N 3.29Å; Q33-N35 PolarHBondContact O-N 3.36Å
34	F	23.7	Very low	27.1	Very low	201 Å²	201	159.7 Å²	159.7	88%	0.882	74%	0.738	S	S	*	*			trans	-63.1	89.2	163	-85.1	-85.5	0	0	0	109.1
35	N	25.5	Very low	27	Very low	132 Å²	132	161.1 Å²	161.1	71%	0.706	74%	0.737	S	S	*	*			trans	-102.2	78.4	166.7	-76.5	3.8	0	0	0	108.9	Q33 E37	Q33-N35 VanDerWaalsContact C-N 3.29Å; Q33-N35 PolarHBondContact O-N 3.36Å; N35-E37 PolarHBondContact O-N 2.91Å; N35-E37 VanDerWaalsContact O-N 3.09Å
36	N	26.5	Very low	26.7	Very low	161 Å²	161	163.6 Å²	163.6	86%	0.861	74%	0.74	S	S	*	*			trans	-74	80.8	156.7	-89.3	-8.4	0	0	0	108.3
37	E	26.1	Very low	26.7	Very low	183 Å²	183	162.8 Å²	162.8	86%	0.855	75%	0.745	S	S	*	*			trans	-138.2	78.6	155.7	-138.5	172.7	-156.4	0	0	107.2	N35 N39	N35-E37 PolarHBondContact O-N 2.91Å; N35-E37 VanDerWaalsContact O-N 3.09Å; E37-N39 PolarHBondContact O-N 2.81Å; E37-N39 VanDerWaalsContact O-N 3.16Å
38	Y	30	Very low	26.8	Very low	182 Å²	182	167 Å²	167	71%	0.714	76%	0.764	S	S	*	*			trans	-75.9	99	170.4	-174.1	-96.6	0	0	0	108.1
39	N	26.1	Very low	26.6	Very low	95 Å²	95	169.9 Å²	169.9	51%	0.508	77%	0.77	S	S	.	*			trans	-75	117.6	171.2	-169.4	-8.2	0	0	0	109	E37 Y41	E37-N39 PolarHBondContact O-N 2.81Å; E37-N39 VanDerWaalsContact O-N 3.16Å; N39-Y41 PolarHBondContact O-N 2.91Å
40	P	29	Very low	26.6	Very low	98 Å²	98	163.8 Å²	163.8	64%	0.636	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	14.1	-169	29.4	-35	0	0	0	115.3
41	Y	26.6	Very low	26.7	Very low	194 Å²	194	165.3 Å²	165.3	76%	0.761	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-2	-173.8	-77.9	-80.8	0	0	0	116.3	N39	N39-Y41 PolarHBondContact O-N 2.91Å
42	Y	25.5	Very low	26.6	Very low	174 Å²	174	161.5 Å²	161.5	68%	0.682	77%	0.768	S	S	*	*			trans	-111.1	71.9	-177.8	-76.8	-85.9	0	0	0	112.9
43	N	28.5	Very low	26.7	Very low	142 Å²	142	160.3 Å²	160.3	76%	0.759	76%	0.764	S	S	*	*			trans	-147.6	50.4	157.5	-112.5	-21.4	0	0	0	111.1
44	K	26.5	Very low	26.8	Very low	197 Å²	197	159.2 Å²	159.2	86%	0.857	76%	0.764	S	S	*	*			trans	-124.4	81.1	158.5	-79.3	-171.7	177.6	-177.5	0	108.2
45	Y	26.2	Very low	26.9	Very low	202 Å²	202	156.4 Å²	156.4	79%	0.792	76%	0.758	S	S	*	*			trans	-103.8	98.9	150.9	-84.9	-81.3	0	0	0	105.1
46	D	23.7	Very low	27	Very low	132 Å²	132	155.3 Å²	155.3	71%	0.706	76%	0.756	S	S	*	*				56.7	90.3	99.4	-91.5	-19.8	0	0	0	112.8
47	N	27.3	Very low	27.2	Very low	135 Å²	135	153.5 Å²	153.5	72%	0.722	75%	0.751	S	S	*	*				170.8	92.2	114.8	-90	-53.6	0	0	0	109.6
48	N	29.4	Very low	27.4	Very low	172 Å²	172	151.2 Å²	151.2	92%	0.92	75%	0.75	S	S	*	*			trans	-126.3	99.4	139.6	-102.2	-13.4	0	0	0	107.6	G50	N48-G50 PolarHBondContact O-N 2.82Å
49	K	26.1	Very low	27.3	Very low	196 Å²	196	148.6 Å²	148.6	85%	0.852	75%	0.753	S	S	*	*			trans	-49.3	127.3	161.8	-71.6	174.2	172.8	177	0	109.3
50	G	26.8	Very low	27.4	Very low	66 Å²	66	150.2 Å²	150.2	68%	0.68	77%	0.766	S	S	*	*			trans	151.1	97.9	157.5	0	0	0	0	0	116.1	N48	N48-G50 PolarHBondContact O-N 2.82Å
51	K	30.3	Very low	27.3	Very low	194 Å²	194	152.3 Å²	152.3	84%	0.843	77%	0.772	S	S	*	*			trans	82.8	104.2	147.9	-57.8	-177	177.8	-178.6	0	118.6
52	N	25.3	Very low	27.5	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	78%	0.776	S	S	*	*				36.4	121.9	127.7	-48.6	-7.3	0	0	0	118.9
53	Y	28	Very low	27.5	Very low	212 Å²	212	148.9 Å²	148.9	83%	0.831	78%	0.779	S	S	*	*				179.7	159.1	81.4	-109.2	-76.2	0	0	0	111.9
54	D	26.1	Very low	27.7	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	79%	0.787	S	S	*	*			trans	-75.9	161.9	-168.6	-70.6	-53.3	0	0	0	117.5
55	D	26.3	Very low	27.7	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	78%	0.78	S	S	*	*			trans	58.7	134.9	140.2	-107.5	-14.1	0	0	0	126
56	T	26.4	Very low	27.9	Very low	108 Å²	108	145.6 Å²	145.6	66%	0.663	78%	0.784	S	S	*	*			trans	43.5	124.3	142.7	49.4	0	0	0	0	124.2
57	T	30.7	Very low	28.1	Very low	123 Å²	123	145 Å²	145	76%	0.755	78%	0.781	S	S	*	*			trans	33.9	110	142.3	53	0	0	0	0	121
58	T	30.1	Very low	28.2	Very low	136 Å²	136	146 Å²	146	83%	0.834	79%	0.787	S	S	*	*				172.4	131.2	123.4	23.5	0	0	0	0	113.7
59	T	29	Very low	28.1	Very low	126 Å²	126	143.6 Å²	143.6	77%	0.773	77%	0.774	S	S	*	*			trans	23.7	126.7	146.9	48.8	0	0	0	0	123.7
60	T	27.6	Very low	28.4	Very low	129 Å²	129	141 Å²	141	79%	0.791	77%	0.769	S	S	*	*				133.9	133.5	118.6	-35.1	0	0	0	0	117.4
61	N	27.1	Very low	28.4	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	77%	0.772	S	S	*	*			trans	-25.6	148.4	172.6	-64.9	-26.7	0	0	0	122.9
62	N	29.9	Very low	28.3	Very low	158 Å²	158	145.2 Å²	145.2	85%	0.845	77%	0.771	S	S	*	*				-168.5	109.2	119.2	-89.6	-21.7	0	0	0	107.6
63	N	26.1	Very low	28.3	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	77%	0.772	S	S	*	*				63.6	90.3	80.8	-147.7	26	0	0	0	114.2
64	D	32.6	Very low	28.4	Very low	174 Å²	174	145.4 Å²	145.4	93%	0.93	77%	0.772	S	S	*	*			trans	-123	102.6	151.3	-90.7	-33.6	0	0	0	108
65	N	26.9	Very low	28.3	Very low	131 Å²	131	140.8 Å²	140.8	70%	0.701	76%	0.758	S	S	*	*			trans	-93.7	124	172.3	-171.2	14.6	0	0	0	107.2
66	N	30	Very low	28.5	Very low	166 Å²	166	145 Å²	145	89%	0.888	77%	0.765	S	S	*	*			trans	-137.5	110.2	151.6	-145.6	3.2	0	0	0	109.7
67	N	28.1	Very low	28.7	Very low	120 Å²	120	147.7 Å²	147.7	64%	0.642	78%	0.775	S	S	*	*			trans	-94	128.5	179	-178	16.5	0	0	0	107.6
68	N	29.9	Very low	28.6	Very low	156 Å²	156	153.7 Å²	153.7	83%	0.834	78%	0.784	S	S	*	*			trans	-158.5	97.8	146.3	-123	0.6	0	0	0	111.3
69	N	26.6	Very low	28.5	Very low	122 Å²	122	156.8 Å²	156.8	65%	0.652	79%	0.786	S	S	*	*				23.2	113	125	-149.5	20.8	0	0	0	117.4
70	D	32.8	Very low	29	Very low	140 Å²	140	156.9 Å²	156.9	75%	0.749	79%	0.789	S	S	*	*			trans	-168	87.5	134.9	-92.6	-23.5	0	0	0	111	Y72	D70-Y72 PolarHBondContact O-N 2.83Å
71	N	26.7	Very low	28.9	Very low	139 Å²	139	154.4 Å²	154.4	74%	0.743	79%	0.789	S	S	*	*				15.7	87	128.3	-144.8	15	0	0	0	117.4
72	Y	28.9	Very low	28.8	Very low	211 Å²	211	155 Å²	155	83%	0.827	79%	0.792	S	S	*	*			trans	-120.4	92.7	153.3	-84.4	-82	0	0	0	110.8	D70 Y74	D70-Y72 PolarHBondContact O-N 2.83Å; Y72-Y74 PolarHBondContact O-N 2.83Å
73	N	24	Very low	28.7	Very low	135 Å²	135	154.1 Å²	154.1	72%	0.722	79%	0.787	S	S	*	*			trans	-59.5	111.4	162.7	-172.1	16.9	0	0	0	110.1
74	Y	30	Very low	28.7	Very low	214 Å²	214	157.4 Å²	157.4	84%	0.839	79%	0.791	S	S	*	*			trans	-126.9	88.8	152.4	-95.1	-83.5	0	0	0	108	Y72	Y72-Y74 PolarHBondContact O-N 2.83Å
75	G	24.8	Very low	28.6	Very low	46 Å²	46	154.6 Å²	154.6	47%	0.474	78%	0.782	S	S	.	*			trans	-66.2	134.8	166.5	0	0	0	0	0	110.5
76	Y	30.1	Very low	28.7	Very low	229 Å²	229	157.8 Å²	157.8	90%	0.898	79%	0.786	S	S	*	*			trans	-147.4	111.4	134.8	-86.7	-71.5	0	0	0	108.3	R78	Y76-R78 PolarHBondContact O-N 2.93Å
77	N	30	Very low	28.8	Very low	165 Å²	165	157.7 Å²	157.7	88%	0.882	78%	0.777	S	S	*	*			trans	-52.1	116.3	165.5	-80.4	-41.3	0	0	0	110.5
78	R	30	Very low	28.7	Very low	250 Å²	250	159.6 Å²	159.6	94%	0.943	78%	0.784	S	S	*	*			trans	-167	104.2	148.1	-104.6	170.4	-167.1	-149.7	4.1	110.1	Y76	Y76-R78 PolarHBondContact O-N 2.93Å
79	K	28.2	Very low	28.8	Very low	201 Å²	201	161.6 Å²	161.6	87%	0.874	78%	0.782	S	S	*	*			trans	-87.8	168.3	154.9	-78.4	-173	178.7	-179.1	0	108.2
80	P	38.2	Very low	29.2	Very low	128 Å²	128	161 Å²	161	83%	0.831	78%	0.784	S	S	*	*			cis	-133.8	159.2	-21.2	30.5	-10.8	0	0	0	112.9
81	G	26.2	Very low	29.4	Very low	76 Å²	76	162.5 Å²	162.5	78%	0.784	79%	0.792	S	S	*	*			trans	-177.1	127.2	169.8	0	0	0	0	0	113	N83	G81-N83 PolarHBondContact O-N 3Å
82	N	25.9	Very low	29.8	Very low	156 Å²	156	164.8 Å²	164.8	83%	0.834	80%	0.796	S	S	*	*			trans	-39.1	128.8	178.1	-69.4	-22.9	0	0	0	113.9
83	N	25.9	Very low	30.1	Very low	140 Å²	140	163.8 Å²	163.8	75%	0.749	80%	0.796	S	S	*	*				166.9	117.1	125.7	-85.5	-18	0	0	0	111	G81	G81-N83 PolarHBondContact O-N 3Å
84	Y	26.3	Very low	30.7	Very low	207 Å²	207	161.5 Å²	161.5	81%	0.812	79%	0.788	S	S	*	*			trans	50.7	132.8	159.2	-71.9	-92.4	0	0	0	119.6	Y86	Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 2.88Å
85	P	31.1	Very low	31.4	Very low	115 Å²	115	159.6 Å²	159.6	75%	0.747	79%	0.793	S	S	*	*			trans	-70.1	93.2	172.8	30.9	-31.4	0	0	0	108.5	K87	P85-K87 PolarHBondContact O-N 3.04Å
86	Y	30	Very low	32.3	Very low	198 Å²	198	166 Å²	166	78%	0.776	81%	0.807	S	S	*	*			trans	-67.5	87.3	165.2	-165	-93.3	0	0	0	106.8	Y84 M88	Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 2.88Å; Y86-M88 HydrophobicContact CD1-CB 4.47Å; Y86-M88 HydrophobicContact CD1-CG 3.7Å; Y86-M88 HydrophobicContact CE1-CG 3.76Å; Y86-M88 PolarHBondContact O-N 2.88Å
87	K	30.4	Very low	32.9	Very low	163 Å²	163	157.2 Å²	157.2	71%	0.709	78%	0.775	S	S	*	*			trans	-56.9	96.6	159.2	-80	-177.1	177.1	178.6	0	105.7	P85 Y89	P85-K87 PolarHBondContact O-N 3.04Å; K87-Y89 HydrophobicContact CB-CE2 4.44Å; K87-Y89 WeakPolarHBondContact O-CD2 3.33Å; K87-Y89 PolarHBondContact O-N 3.15Å
88	M	27.5	Very low	33.4	Very low	160 Å²	160	152.8 Å²	152.8	79%	0.788	76%	0.755	S	S	*	*			trans	-58.2	95.9	161.3	-87.5	-164.6	158.6	0	0	106.4	Y86 P90	Y86-M88 HydrophobicContact CD1-CB 4.47Å; Y86-M88 HydrophobicContact CD1-CG 3.7Å; Y86-M88 HydrophobicContact CE1-CG 3.76Å; Y86-M88 PolarHBondContact O-N 2.88Å; M88-P90 WeakPolarHBondContact O-CD 3.44Å
89	Y	32	Very low	33.9	Very low	199 Å²	199	144.9 Å²	144.9	78%	0.78	73%	0.732	S	S	*	*			trans	-57.8	118.1	162.6	-76.1	-90.9	0	0	0	106.1	K87 N91	K87-Y89 HydrophobicContact CB-CE2 4.44Å; K87-Y89 WeakPolarHBondContact O-CD2 3.33Å; K87-Y89 PolarHBondContact O-N 3.15Å; Y89-N91 PolarHBondContact O-N 2.61Å
90	P	33.9	Very low	34.5	Very low	109 Å²	109	138 Å²	138	71%	0.708	71%	0.706	S	S	*	*			trans	-60.7	134.1	178.2	23.8	-29.8	0	0	0	107.7	M88 K92	M88-P90 WeakPolarHBondContact O-CD 3.44Å; P90-K92 PolarHBondContact O-N 2.93Å
91	N	36.5	Very low	34.4	Very low	172 Å²	172	136.3 Å²	136.3	92%	0.92	68%	0.683	S	S	*	*			trans	-53.9	73.7	171.6	-87.9	-24.6	0	0	0	110.9	Y89 K93	Y89-N91 PolarHBondContact O-N 2.61Å; N91-K93 PolarHBondContact O-N 3.1Å
92	K	36	Very low	35.1	Very low	187 Å²	187	137.4 Å²	137.4	81%	0.813	67%	0.666	S	S	*	*			trans	-74.1	102.8	159	-90.4	-174.5	175.7	-179.6	0	105.3	P90 P94	P90-K92 PolarHBondContact O-N 2.93Å; K92-P94 WeakPolarHBondContact O-CD 3.42Å
93	K	35.7	Very low	35.6	Very low	190 Å²	190	133.4 Å²	133.4	83%	0.826	64%	0.64	S	S	*	*			trans	-47.1	119.6	162.7	-84.1	-175.6	174.9	-179.1	0	106.9	N91 N95	N91-K93 PolarHBondContact O-N 3.1Å; K93-N95 PolarHBondContact O-N 3.46Å
94	P	36.7	Very low	36.1	Very low	86 Å²	86	131.4 Å²	131.4	56%	0.558	63%	0.628	S	S	*	*			trans	-60.3	127.8	-178.2	22.6	-30.7	0	0	0	108.3	K92 K96	K92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-K96 PolarHBondContact O-N 3.35Å
95	N	44.5	Very low	36.6	Very low	175 Å²	175	124.4 Å²	124.4	94%	0.936	60%	0.604	S	S	*	*	S	Bend	trans	-58.5	-10.4	-179.9	-94.6	-8.3	0	0	0	113.2	K93	K93-N95 PolarHBondContact O-N 3.46Å
96	K	42.7	Very low	36.8	Very low	180 Å²	180	124.4 Å²	124.4	78%	0.783	59%	0.594	S	S	*	*	S	Bend	trans	-142.9	130.7	173.9	-64.5	-176.7	-179.8	179.3	0	108.6	P94	P94-K96 PolarHBondContact O-N 3.35Å
97	I	42.9	Very low	37	Very low	45 Å²	45	116.2 Å²	116.2	23%	0.231	57%	0.569	C	S	.	*			trans	-65.7	124.3	171.8	-52.4	174.2	0	0	0	107	F130 T131	I97-F130 HydrophobicContact CB-CB 4.13Å; I97-F130 HydrophobicContact CG2-CB 3.64Å; I97-F130 WeakPolarHBondContact O-CD1 3.31Å; I97-T131 WeakPolarHBondContact CG2-O 3.37Å
98	P	41.5	Very low	37.3	Very low	71 Å²	71	112.1 Å²	112.1	46%	0.461	55%	0.553	S	S	.	*			trans	-65.2	137.2	-178.4	25.7	-31.9	0	0	0	110.4	T100	P98-T100 PolarHBondContact O-N 3.12Å; P98-T100 VanDerWaalsContact O-N 3.15Å
99	L	40.7	Very low	37.9	Very low	85 Å²	85	105.7 Å²	105.7	45%	0.445	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	112.4	168.8	-179.5	76.3	0	0	0	107.4	F128 G129 F130	L99-F128 HydrophobicContact CD1-CB 3.54Å; L99-F128 HydrophobicContact CD1-CD1 3.69Å; L99-F128 HydrophobicContact CD1-CG 4.1Å; L99-F128 HydrophobicContact CD2-CD1 4.07Å; L99-G129 WeakPolarHBondContact CD1-O 3.41Å; L99-F130 HydrophobicContact CB-CD1 4.13Å; L99-F130 HydrophobicContact CB-CE1 3.78Å; L99-F130 HydrophobicContact CD1-CD1 4.13Å; L99-F130 HydrophobicContact CD1-CE1 3.61Å; L99-F130 HydrophobicContact CD1-CE2 4.09Å; L99-F130 HydrophobicContact CD1-CZ 3.58Å; L99-F130 HydrophobicContact CG-CE1 4.33Å
100	T	39.5	Very low	38.2	Very low	55 Å²	55	102.3 Å²	102.3	34%	0.337	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-29.8	-176.8	39.5	0	0	0	0	112.2	P98 G129 T131	P98-T100 PolarHBondContact O-N 3.12Å; P98-T100 VanDerWaalsContact O-N 3.15Å; T100-G129 PolarHBondContact N-O 3.46Å; T100-G129 PolarHBondContact OG1-O 3.15Å; T100-T131 VanDerWaalsContact CG2-OG1 3.3Å; T100-T131 WeakPolarHBondContact CG2-OG1 3.41Å; T100-T131 PolarHBondContact OG1-N 3.48Å; T100-T131 PolarHBondContact OG1-OG1 3.32Å
101	R	37.3	Very low	38.3	Very low	93 Å²	93	98.5 Å²	98.5	35%	0.351	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.3	176.4	-62.3	-166.8	179.8	173.2	4	112.7	Y103 G129 D138	R101-Y103 HydrophobicContact CB-CD2 4.22Å; R101-Y103 HydrophobicContact CB-CE2 3.56Å; R101-Y103 WeakPolarHBondContact CD-OH 3.42Å; R101-Y103 HydrophobicContact CG-CE2 4.33Å; R101-Y103 PolarHBondContact NH1-OH 3.37Å; R101-G129 PolarHBondContact N-O 2.98Å; R101-G129 PolarHBondContact O-N 3.46Å; R101-D138 IonicContact CZ-OD1 3.81Å; R101-D138 IonicContact NH1-OD1 3.76Å; R101-D138 PolarHBondContact NH1-OD1 3.06Å
102	K	40.9	Very low	38.2	Very low	99 Å²	99	96.8 Å²	96.8	43%	0.43	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.4	169.2	-175.8	-177	-179.3	-179.1	0	109	E126 L127 F128	K102-E126 WeakPolarHBondContact CE-OE1 3.12Å; K102-E126 IonicContact NZ-OE1 2.73Å; K102-E126 PolarHBondContact NZ-OE1 2.77Å; K102-E126 IonicContact NZ-OE2 2.72Å; K102-L127 CarbonylContact C-O 3.57Å; K102-L127 WeakPolarHBondContact CA-O 3.45Å; K102-F128 HydrophobicContact CB-CD1 4.43Å; K102-F128 HydrophobicContact CD-CD1 4.37Å; K102-F128 HydrophobicContact CD-CE1 3.68Å; K102-F128 HydrophobicContact CD-CZ 4.28Å; K102-F128 HydrophobicContact CG-CD1 4.04Å; K102-F128 HydrophobicContact CG-CE1 3.8Å; K102-F128 HydrophobicContact CG-CZ 4.45Å
103	Y	36.7	Very low	38.1	Very low	73 Å²	73	90.8 Å²	90.8	29%	0.286	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134	173	-62.9	-89.7	0	0	0	109.1	R101 E126 L127 Y139	R101-Y103 HydrophobicContact CB-CD2 4.22Å; R101-Y103 HydrophobicContact CB-CE2 3.56Å; R101-Y103 WeakPolarHBondContact CD-OH 3.42Å; R101-Y103 HydrophobicContact CG-CE2 4.33Å; R101-Y103 PolarHBondContact NH1-OH 3.37Å; Y103-E126 CarbonylContact O-C 3.55Å; Y103-E126 WeakPolarHBondContact O-CA 3.28Å; Y103-L127 HydrophobicContact CD2-CD2 3.74Å; Y103-L127 HydrophobicContact CE2-CD2 4.49Å; Y103-L127 PolarHBondContact N-O 2.72Å; Y103-L127 PolarHBondContact O-N 2.9Å; Y103-Y139 HydrophobicContact CE2-CD2 4.01Å
104	I	36.2	Very low	38.1	Very low	97 Å²	97	91.3 Å²	91.3	50%	0.497	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.3	174.6	-57.6	175.3	0	0	0	106.5	E106 V124	I104-E106 HydrophobicContact CG2-CG 4.2Å; I104-V124 HydrophobicContact CG2-CG1 4.4Å
105	M	36	Very low	38.2	Very low	61 Å²	61	95.9 Å²	95.9	30%	0.3	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.8	173.3	-73.9	166.6	-68.6	0	0	108.3	G125 L127 L141 F181	M105-G125 PolarHBondContact N-O 3.09Å; M105-G125 PolarHBondContact O-N 3.1Å; M105-L127 HydrophobicContact CE-CB 4.27Å; M105-L141 HydrophobicContact CE-CB 3.47Å; M105-L141 VanDerWaalsContact CE-CB 3.47Å; M105-L141 HydrophobicContact CE-CD1 4.23Å; M105-L141 HydrophobicContact CE-CD2 3.67Å; M105-L141 HydrophobicContact CE-CG 4Å; M105-L141 HydrophobicContact SD-CB 3.73Å; M105-L141 HydrophobicContact SD-CD2 4.25Å; M105-F181 HydrophobicContact CE-CE2 4.37Å
106	E	35.1	Very low	37.7	Very low	115 Å²	115	95.3 Å²	95.3	54%	0.537	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126	173	-62.7	-166.4	171.3	0	0	108.6	I104 V124	I104-E106 HydrophobicContact CG2-CG 4.2Å; E106-V124 HydrophobicContact CG-CG1 4.23Å; E106-V124 HydrophobicContact CG-CG2 4.17Å
107	G	34.3	Very low	37.2	Very low	25 Å²	25	89 Å²	89	26%	0.258	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.3	176.2	0	0	0	0	0	110.2	A123	G107-A123 PolarHBondContact N-O 3.33Å; G107-A123 PolarHBondContact O-N 3.22Å; G107-A123 VanDerWaalsContact O-O 3.14Å
108	E	37.6	Very low	36.9	Very low	77 Å²	77	91.6 Å²	91.6	36%	0.36	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.4	175.2	-169	179.4	158.1	0	0	109.7	H120 I121 K122	E108-H120 IonicContact OE1-CG 3.83Å; E108-H120 IonicContact OE1-ND1 3.05Å; E108-H120 PolarHBondContact OE1-ND1 3.08Å; E108-I121 CarbonylContact C-O 3.58Å; E108-I121 WeakPolarHBondContact CA-O 3.26Å; E108-K122 HydrophobicContact CG-CB 4.43Å
109	A	38.4	Very low	37	Very low	25 Å²	25	92.6 Å²	92.6	21%	0.207	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.2	173.2	0	0	0	0	0	109.5	I121 F145	A109-I121 PolarHBondContact N-O 3.16Å; A109-I121 PolarHBondContact O-N 3.12Å; A109-F145 HydrophobicContact CB-CB 4.12Å; A109-F145 HydrophobicContact CB-CD1 4.28Å; A109-F145 HydrophobicContact CB-CD2 4.12Å; A109-F145 HydrophobicContact CB-CG 3.91Å
110	K	38.9	Very low	37.2	Very low	128 Å²	128	90.5 Å²	90.5	56%	0.557	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.8	174.4	-76.9	-167.7	172.9	-157	0	111.3	E118	K110-E118 IonicContact NZ-OE1 3.79Å; K110-E118 IonicContact NZ-OE2 3.53Å
111	H	36.7	Very low	37.4	Very low	29 Å²	29	88.9 Å²	88.9	13%	0.134	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.8	172.2	-115.9	-108.8	0	0	0	109.7	H113 K119 K147 S161	H111-H113 AromaticContact ND1-CD2 3.68Å; H111-H113 AromaticContact ND1-NE2 3.36Å; H111-H113 PolarHBondContact ND1-NE2 3.23Å; H111-H113 PolarHBondContact O-N 3.44Å; H111-K119 VanDerWaalsContact CA-O 3.27Å; H111-K119 WeakPolarHBondContact CA-O 3.27Å; H111-K119 HydrophobicContact CB-CB 4.21Å; H111-K119 WeakPolarHBondContact CB-O 3.44Å; H111-K119 PolarHBondContact N-O 3.08Å; H111-K119 PolarHBondContact O-N 3.42Å; H111-K147 VanDerWaalsContact CE1-CB 3.47Å; H111-K147 WeakPolarHBondContact CE1-CB 3.22Å; H111-K147 WeakPolarHBondContact NE2-CB 3.49Å; H111-K147 WeakPolarHBondContact NE2-CD 3.47Å; H111-S161 PolarHBondContact NE2-OG 3.26Å
112	I	34.1	Very low	37.8	Very low	136 Å²	136	88.3 Å²	88.3	70%	0.697	43%	0.43	S	S	*	.			trans	-85.1	109.3	171.1	-58.2	174.1	0	0	0	107.8
113	H	33.4	Very low	37.7	Very low	62 Å²	62	83.7 Å²	83.7	29%	0.287	41%	0.411	S	S	.	.			trans	-105	124.4	166.4	-87.6	-86.3	0	0	0	109.5	H111 K115 Y159	H111-H113 AromaticContact ND1-CD2 3.68Å; H111-H113 AromaticContact ND1-NE2 3.36Å; H111-H113 PolarHBondContact ND1-NE2 3.23Å; H111-H113 PolarHBondContact O-N 3.44Å; H113-K115 PolarHBondContact O-N 3.49Å; H113-Y159 AromaticContact CE1-CG 3.88Å
114	Q	36.1	Very low	38	Very low	200 Å²	200	82.3 Å²	82.3	94%	0.935	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.3	-174.3	-74.6	179.7	-17.4	0	0	115.8
115	K	38.7	Very low	38.1	Very low	183 Å²	183	77.8 Å²	77.8	80%	0.796	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-19.7	-171.4	-118.8	-180	-179.5	-179.4	0	117	H113	H113-K115 PolarHBondContact O-N 3.49Å
116	H	33.4	Very low	38.4	Very low	163 Å²	163	77.3 Å²	77.3	76%	0.755	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	28	-171.6	-67.9	-60	0	0	0	115.8
117	G	33.9	Very low	38.6	Very low	47 Å²	47	72.1 Å²	72.1	49%	0.485	36%	0.36	S	S	.	.			trans	84.4	159	178	0	0	0	0	0	113.8	K119	G117-K119 PolarHBondContact O-N 3.44Å
118	E	36.1	Very low	39.1	Very low	100 Å²	100	72.5 Å²	72.5	47%	0.467	36%	0.355	S	S	.	.			trans	-55.7	123.2	177.8	-69.4	-170.4	144.1	0	0	109.7	K110 H120	K110-E118 IonicContact NZ-OE1 3.79Å; K110-E118 IonicContact NZ-OE2 3.53Å; E118-H120 VanDerWaalsContact CB-NE2 3.28Å; E118-H120 WeakPolarHBondContact CB-NE2 3.42Å; E118-H120 PolarHBondContact O-CD2 3.39Å; E118-H120 VanDerWaalsContact O-CD2 3.3Å; E118-H120 IonicContact OE2-CE1 3.47Å; E118-H120 PolarHBondContact OE2-CE1 2.9Å; E118-H120 IonicContact OE2-NE2 3.64Å
119	K	42.4	Very low	39.2	Very low	91 Å²	91	68.8 Å²	68.8	40%	0.396	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.8	168.7	-70.7	-170.8	177.4	-173.2	0	107.5	H111 G117	H111-K119 VanDerWaalsContact CA-O 3.27Å; H111-K119 WeakPolarHBondContact CA-O 3.27Å; H111-K119 HydrophobicContact CB-CB 4.21Å; H111-K119 WeakPolarHBondContact CB-O 3.44Å; H111-K119 PolarHBondContact N-O 3.08Å; H111-K119 PolarHBondContact O-N 3.42Å; G117-K119 PolarHBondContact O-N 3.44Å
120	H	45.1	Very low	39.7	Very low	41 Å²	41	70.1 Å²	70.1	19%	0.19	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.1	-175.3	-54.5	-116.8	0	0	0	107.9	E108 E118 H188	E108-H120 IonicContact OE1-CG 3.83Å; E108-H120 IonicContact OE1-ND1 3.05Å; E108-H120 PolarHBondContact OE1-ND1 3.08Å; E118-H120 VanDerWaalsContact CB-NE2 3.28Å; E118-H120 WeakPolarHBondContact CB-NE2 3.42Å; E118-H120 PolarHBondContact O-CD2 3.39Å; E118-H120 VanDerWaalsContact O-CD2 3.3Å; E118-H120 IonicContact OE2-CE1 3.47Å; E118-H120 PolarHBondContact OE2-CE1 2.9Å; E118-H120 IonicContact OE2-NE2 3.64Å; H120-H188 HydrophobicContact CB-CB 4.49Å; H120-H188 PolarHBondContact O-N 3.11Å
121	I	43.9	Very low	39.9	Very low	21 Å²	21	64.1 Å²	64.1	11%	0.108	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.2	164.2	-71.7	175	0	0	0	106.3	E108 A109 F145	E108-I121 CarbonylContact C-O 3.58Å; E108-I121 WeakPolarHBondContact CA-O 3.26Å; A109-I121 PolarHBondContact N-O 3.16Å; A109-I121 PolarHBondContact O-N 3.12Å; I121-F145 HydrophobicContact CG2-CD1 3.87Å; I121-F145 HydrophobicContact CG2-CE1 3.62Å
122	K	45.1	Very low	40.3	Very low	81 Å²	81	67.3 Å²	67.3	35%	0.352	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.4	172.7	-168.4	169.8	-177.8	172	0	108.3	E108 K186	E108-K122 HydrophobicContact CG-CB 4.43Å; K122-K186 PolarHBondContact N-O 2.82Å; K122-K186 PolarHBondContact O-N 2.83Å
123	A	39.9	Very low	40.6	Very low	3 Å²	3	63.3 Å²	63.3	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.5	172	0	0	0	0	0	110.6	G107 F145 L183 N184 A185	G107-A123 PolarHBondContact N-O 3.33Å; G107-A123 PolarHBondContact O-N 3.22Å; G107-A123 VanDerWaalsContact O-O 3.14Å; A123-F145 HydrophobicContact CB-CE1 3.9Å; A123-F145 HydrophobicContact CB-CZ 3.62Å; A123-L183 HydrophobicContact CB-CD1 4.34Å; A123-N184 WeakPolarHBondContact CA-O 3.28Å; A123-A185 HydrophobicContact CB-CB 3.89Å
124	V	43.3	Very low	41.1	Very low	44 Å²	44	71.9 Å²	71.9	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.5	171.7	-178.6	0	0	0	0	106.5	I104 E106 N184	I104-V124 HydrophobicContact CG2-CG1 4.4Å; E106-V124 HydrophobicContact CG-CG1 4.23Å; E106-V124 HydrophobicContact CG-CG2 4.17Å; V124-N184 PolarHBondContact N-O 3.16Å; V124-N184 PolarHBondContact O-N 3.44Å
125	G	37.6	Very low	41.4	Very low	2 Å²	2	68.4 Å²	68.4	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133	172.9	0	0	0	0	0	111	M105 N182	M105-G125 PolarHBondContact N-O 3.09Å; M105-G125 PolarHBondContact O-N 3.1Å; G125-N182 CarbonylContact C-O 3.59Å; G125-N182 WeakPolarHBondContact CA-O 3.34Å
126	E	41.7	Very low	41.8	Very low	51 Å²	51	60.5 Å²	60.5	24%	0.238	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.8	170	-61.3	-172.3	133.7	0	0	108.8	K102 Y103 F128 F181 N182	K102-E126 WeakPolarHBondContact CE-OE1 3.12Å; K102-E126 IonicContact NZ-OE1 2.73Å; K102-E126 PolarHBondContact NZ-OE1 2.77Å; K102-E126 IonicContact NZ-OE2 2.72Å; Y103-E126 CarbonylContact O-C 3.55Å; Y103-E126 WeakPolarHBondContact O-CA 3.28Å; E126-F128 HydrophobicContact CB-CD2 4.37Å; E126-F128 HydrophobicContact CB-CE2 3.52Å; E126-F128 HydrophobicContact CB-CZ 3.87Å; E126-F128 WeakPolarHBondContact OE2-CZ 3.39Å; E126-F181 WeakPolarHBondContact O-CD2 3.46Å; E126-N182 PolarHBondContact N-O 2.81Å; E126-N182 PolarHBondContact O-N 3.03Å
127	L	41	Very low	42.4	Very low	5 Å²	5	52.8 Å²	52.8	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.8	175.4	-178.1	138.1	0	0	0	110	K102 Y103 M105 Y139 L141 F181	K102-L127 CarbonylContact C-O 3.57Å; K102-L127 WeakPolarHBondContact CA-O 3.45Å; Y103-L127 HydrophobicContact CD2-CD2 3.74Å; Y103-L127 HydrophobicContact CE2-CD2 4.49Å; Y103-L127 PolarHBondContact N-O 2.72Å; Y103-L127 PolarHBondContact O-N 2.9Å; M105-L127 HydrophobicContact CE-CB 4.27Å; L127-Y139 HydrophobicContact CD1-CD1 4.47Å; L127-Y139 HydrophobicContact CD2-CD1 3.81Å; L127-Y139 HydrophobicContact CD2-CD2 4Å; L127-Y139 HydrophobicContact CD2-CG 3.45Å; L127-Y139 VanDerWaalsContact CD2-CG 3.45Å; L127-L141 HydrophobicContact CD1-CB 4.43Å; L127-L141 HydrophobicContact CD1-CD1 3.39Å; L127-F181 HydrophobicContact CB-CD2 4.15Å; L127-F181 HydrophobicContact CD1-CD2 4.49Å
128	F	44.1	Very low	43.3	Very low	33 Å²	33	53.1 Å²	53.1	15%	0.145	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.6	-175.3	-62.8	-87	0	0	0	109	L99 K102 E126 F130 A179 K180	L99-F128 HydrophobicContact CD1-CB 3.54Å; L99-F128 HydrophobicContact CD1-CD1 3.69Å; L99-F128 HydrophobicContact CD1-CG 4.1Å; L99-F128 HydrophobicContact CD2-CD1 4.07Å; K102-F128 HydrophobicContact CB-CD1 4.43Å; K102-F128 HydrophobicContact CD-CD1 4.37Å; K102-F128 HydrophobicContact CD-CE1 3.68Å; K102-F128 HydrophobicContact CD-CZ 4.28Å; K102-F128 HydrophobicContact CG-CD1 4.04Å; K102-F128 HydrophobicContact CG-CE1 3.8Å; K102-F128 HydrophobicContact CG-CZ 4.45Å; E126-F128 HydrophobicContact CB-CD2 4.37Å; E126-F128 HydrophobicContact CB-CE2 3.52Å; E126-F128 HydrophobicContact CB-CZ 3.87Å; E126-F128 WeakPolarHBondContact OE2-CZ 3.39Å; F128-F130 HydrophobicContact CB-CE2 3.66Å; F128-F130 HydrophobicContact CB-CZ 3.99Å; F128-A179 CarbonylContact O-C 3.46Å; F128-A179 WeakPolarHBondContact O-CA 3.21Å; F128-K180 HydrophobicContact CB-CB 4.27Å; F128-K180 PolarHBondContact N-O 2.81Å; F128-K180 PolarHBondContact O-N 2.86Å
129	G	39.7	Very low	44.1	Very low	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133	175.4	0	0	0	0	0	111.8	L99 T100 R101 Y139	L99-G129 WeakPolarHBondContact CD1-O 3.41Å; T100-G129 PolarHBondContact N-O 3.46Å; T100-G129 PolarHBondContact OG1-O 3.15Å; R101-G129 PolarHBondContact N-O 2.98Å; R101-G129 PolarHBondContact O-N 3.46Å; G129-Y139 WeakPolarHBondContact CA-OH 3.32Å
130	F	48.6	Very low	44.6	Very low	53 Å²	53	51.1 Å²	51.1	23%	0.232	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118	177.9	-59.1	-87.2	0	0	0	108.3	I97 L99 F128 G177 R178 K180	I97-F130 HydrophobicContact CB-CB 4.13Å; I97-F130 HydrophobicContact CG2-CB 3.64Å; I97-F130 WeakPolarHBondContact O-CD1 3.31Å; L99-F130 HydrophobicContact CB-CD1 4.13Å; L99-F130 HydrophobicContact CB-CE1 3.78Å; L99-F130 HydrophobicContact CD1-CD1 4.13Å; L99-F130 HydrophobicContact CD1-CE1 3.61Å; L99-F130 HydrophobicContact CD1-CE2 4.09Å; L99-F130 HydrophobicContact CD1-CZ 3.58Å; L99-F130 HydrophobicContact CG-CE1 4.33Å; F128-F130 HydrophobicContact CB-CE2 3.66Å; F128-F130 HydrophobicContact CB-CZ 3.99Å; F130-G177 CarbonylContact O-C 3.58Å; F130-G177 WeakPolarHBondContact O-CA 3.34Å; F130-R178 HydrophobicContact CB-CB 4.45Å; F130-R178 WeakPolarHBondContact CB-O 3.39Å; F130-R178 PolarHBondContact N-O 3.32Å; F130-R178 PolarHBondContact O-N 2.74Å; F130-K180 HydrophobicContact CE2-CB 3.96Å
131	T	43.6	Very low	45	Very low	1 Å²	1	50 Å²	50	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.4	-179.7	62.1	0	0	0	0	111	I97 T100 T133 S137 H176	I97-T131 WeakPolarHBondContact CG2-O 3.37Å; T100-T131 VanDerWaalsContact CG2-OG1 3.3Å; T100-T131 WeakPolarHBondContact CG2-OG1 3.41Å; T100-T131 PolarHBondContact OG1-N 3.48Å; T100-T131 PolarHBondContact OG1-OG1 3.32Å; T131-T133 PolarHBondContact O-N 3.23Å; T131-T133 PolarHBondContact OG1-O 3.13Å; T131-S137 WeakPolarHBondContact CG2-OG 3.41Å; T131-H176 WeakPolarHBondContact CA-O 3.31Å
132	D	44.9	Very low	45.5	Very low	97 Å²	97	52.3 Å²	52.3	52%	0.519	26%	0.255	S	S	.	.	S	Bend	trans	-77.8	-10.9	178.1	-66.7	-20	0	0	0	112.6	H176	D132-H176 PolarHBondContact N-O 2.9Å
133	T	39.4	Very low	45.9	Very low	52 Å²	52	50.3 Å²	50.3	32%	0.319	25%	0.25	S	C	.	.	S	Bend	trans	-129.9	154.7	-177.7	56.3	0	0	0	0	111.1	T131 Q135 T175	T131-T133 PolarHBondContact O-N 3.23Å; T131-T133 PolarHBondContact OG1-O 3.13Å; T133-Q135 PolarHBondContact O-N 2.82Å; T133-T175 WeakPolarHBondContact OG1-CB 3.46Å; T133-T175 WeakPolarHBondContact OG1-CG2 3.37Å
134	Y	43.7	Very low	46.6	Very low	241 Å²	241	53.4 Å²	53.4	95%	0.945	27%	0.268	S	S	*	.	S	Bend	trans	-70.5	-11.7	176.6	-78	-84.2	0	0	0	113.8	G136	Y134-G136 PolarHBondContact O-N 2.81Å
135	Q	42.7	Very low	47	Very low	128 Å²	128	54.3 Å²	54.3	60%	0.598	27%	0.269	S	S	*	.	S	Bend	trans	-77.9	109.2	172.5	-72.5	175.7	-19.2	0	0	107.3	T133 T175	T133-Q135 PolarHBondContact O-N 2.82Å; Q135-T175 HydrophobicContact CB-CG2 3.78Å; Q135-T175 WeakPolarHBondContact O-CG2 3.43Å
136	G	48	Very low	47.7	Very low	16 Å²	16	57.6 Å²	57.6	17%	0.165	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-87.6	129.1	-160	0	0	0	0	0	113	Y134 Y172	Y134-G136 PolarHBondContact O-N 2.81Å; G136-Y172 WeakPolarHBondContact O-CD2 3.09Å; G136-Y172 WeakPolarHBondContact O-CE2 3.4Å
137	S	46.8	Very low	48.2	Very low	1 Å²	1	62.7 Å²	62.7	1%	0.007	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60	140.2	166.8	-56.1	0	0	0	0	111.1	T131 Y139 K170 H171	T131-S137 WeakPolarHBondContact CG2-OG 3.41Å; S137-Y139 WeakPolarHBondContact CB-OH 3.48Å; S137-Y139 WeakPolarHBondContact O-CD2 3.36Å; S137-Y139 WeakPolarHBondContact O-CE2 3.35Å; S137-K170 VanDerWaalsContact CA-O 3.28Å; S137-K170 WeakPolarHBondContact CA-O 3.36Å; S137-H171 PolarHBondContact OG-CE1 3.13Å; S137-H171 PolarHBondContact OG-ND1 2.87Å
138	D	51.5	Low	48.3	Very low	55 Å²	55	63.6 Å²	63.6	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.1	168	-74.1	-30.2	0	0	0	109.6	R101 K170 Y172	R101-D138 IonicContact CZ-OD1 3.81Å; R101-D138 IonicContact NH1-OD1 3.76Å; R101-D138 PolarHBondContact NH1-OD1 3.06Å; D138-K170 HydrophobicContact CB-CB 4.49Å; D138-K170 PolarHBondContact N-O 2.85Å; D138-K170 PolarHBondContact O-N 3.47Å; D138-Y172 HydrophobicContact CB-CE2 4.36Å; D138-Y172 VanDerWaalsContact OD2-CE2 3.31Å; D138-Y172 WeakPolarHBondContact OD2-CE2 3.22Å; D138-Y172 VanDerWaalsContact OD2-CZ 3.31Å; D138-Y172 PolarHBondContact OD2-OH 3.36Å
139	Y	53.1	Low	48.6	Very low	24 Å²	24	65.4 Å²	65.4	9%	0.094	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.9	-174.6	-57.3	-93.8	0	0	0	108.8	Y103 L127 G129 S137 L168 M169 A179	Y103-Y139 HydrophobicContact CE2-CD2 4.01Å; L127-Y139 HydrophobicContact CD1-CD1 4.47Å; L127-Y139 HydrophobicContact CD2-CD1 3.81Å; L127-Y139 HydrophobicContact CD2-CD2 4Å; L127-Y139 HydrophobicContact CD2-CG 3.45Å; L127-Y139 VanDerWaalsContact CD2-CG 3.45Å; G129-Y139 WeakPolarHBondContact CA-OH 3.32Å; S137-Y139 WeakPolarHBondContact CB-OH 3.48Å; S137-Y139 WeakPolarHBondContact O-CD2 3.36Å; S137-Y139 WeakPolarHBondContact O-CE2 3.35Å; Y139-L168 WeakPolarHBondContact CA-O 3.47Å; Y139-M169 HydrophobicContact CD1-CB 4.18Å; Y139-M169 HydrophobicContact CD1-CG 3.77Å; Y139-M169 HydrophobicContact CD1-SD 4.03Å; Y139-M169 HydrophobicContact CE1-CB 4.39Å; Y139-M169 HydrophobicContact CE1-CG 3.57Å; Y139-M169 HydrophobicContact CE1-SD 3.29Å; Y139-M169 WeakPolarHBondContact CE1-SD 3.49Å; Y139-A179 HydrophobicContact CD1-CB 3.76Å; Y139-A179 HydrophobicContact CE1-CB 3.41Å; Y139-A179 VanDerWaalsContact CE1-CB 3.41Å
140	E	52.4	Low	48.7	Very low	125 Å²	125	70.2 Å²	70.2	58%	0.584	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.9	172.6	-174.9	170.9	-178.6	0	0	109.1	G167 L168	E140-G167 CarbonylContact O-C 3.52Å; E140-G167 WeakPolarHBondContact O-CA 3.31Å; E140-L168 HydrophobicContact CB-CB 4.1Å; E140-L168 PolarHBondContact N-O 2.85Å; E140-L168 PolarHBondContact O-N 2.88Å
141	L	53.7	Low	48.3	Very low	18 Å²	18	72 Å²	72	9%	0.094	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	132.1	-178.9	-158.1	137.6	0	0	0	110.2	M105 L127 T165 E166 F181	M105-L141 HydrophobicContact CE-CB 3.47Å; M105-L141 VanDerWaalsContact CE-CB 3.47Å; M105-L141 HydrophobicContact CE-CD1 4.23Å; M105-L141 HydrophobicContact CE-CD2 3.67Å; M105-L141 HydrophobicContact CE-CG 4Å; M105-L141 HydrophobicContact SD-CB 3.73Å; M105-L141 HydrophobicContact SD-CD2 4.25Å; L127-L141 HydrophobicContact CD1-CB 4.43Å; L127-L141 HydrophobicContact CD1-CD1 3.39Å; L141-T165 HydrophobicContact CD1-CG2 4.5Å; L141-T165 HydrophobicContact CD2-CG2 3.34Å; L141-T165 HydrophobicContact CG-CG2 3.93Å; L141-E166 CarbonylContact C-O 3.35Å; L141-E166 WeakPolarHBondContact CA-O 3.2Å; L141-F181 HydrophobicContact CD1-CB 4.3Å; L141-F181 HydrophobicContact CD1-CD1 4.14Å; L141-F181 HydrophobicContact CD1-CD2 3.26Å; L141-F181 HydrophobicContact CD1-CE1 4.25Å; L141-F181 HydrophobicContact CD1-CE2 3.42Å; L141-F181 VanDerWaalsContact CD1-CE2 3.42Å; L141-F181 HydrophobicContact CD1-CG 3.63Å; L141-F181 HydrophobicContact CD1-CZ 3.91Å; L141-F181 HydrophobicContact CD2-CD2 4.16Å; L141-F181 HydrophobicContact CD2-CE1 4.16Å; L141-F181 HydrophobicContact CD2-CE2 3.38Å; L141-F181 HydrophobicContact CD2-CZ 3.37Å; L141-F181 HydrophobicContact CG-CD2 4.35Å; L141-F181 HydrophobicContact CG-CE2 4.05Å; L141-F181 HydrophobicContact CG-CZ 4.26Å
142	T	54.4	Low	48.7	Very low	68 Å²	68	74.2 Å²	74.2	42%	0.417	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.5	-174.9	-62.4	0	0	0	0	108.5	T165 E166	T142-T165 CarbonylContact O-C 3.59Å; T142-T165 VanDerWaalsContact O-CA 3.31Å; T142-T165 WeakPolarHBondContact O-CA 3.32Å; T142-E166 PolarHBondContact N-O 3.08Å; T142-E166 PolarHBondContact O-N 2.85Å
143	T	53.5	Low	49.3	Very low	40 Å²	40	80.5 Å²	80.5	25%	0.245	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.9	173.5	-61.2	0	0	0	0	109.7	F145 Y163 D164 T165 L183	T143-F145 HydrophobicContact CG2-CE1 4.33Å; T143-F145 HydrophobicContact CG2-CE2 4.06Å; T143-F145 HydrophobicContact CG2-CZ 3.93Å; T143-Y163 HydrophobicContact CG2-CD2 4.28Å; T143-D164 CarbonylContact C-O 3.52Å; T143-D164 VanDerWaalsContact CA-O 3.31Å; T143-D164 WeakPolarHBondContact CA-O 3.28Å; T143-T165 PolarHBondContact OG1-OG1 3.04Å; T143-T165 VanDerWaalsContact OG1-OG1 3.08Å; T143-L183 HydrophobicContact CG2-CD2 4.49Å
144	T	54.4	Low	51	Low	68 Å²	68	82.4 Å²	82.4	42%	0.417	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.6	177.7	-58.2	0	0	0	0	109.3	Y163 D164	T144-Y163 CarbonylContact O-C 3.6Å; T144-Y163 WeakPolarHBondContact O-CA 3.37Å; T144-Y163 WeakPolarHBondContact O-CB 3.1Å; T144-D164 PolarHBondContact N-O 2.81Å; T144-D164 PolarHBondContact O-N 3.4Å
145	F	52.8	Low	51.6	Low	63 Å²	63	73.5 Å²	73.5	28%	0.276	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.9	176.6	-62.9	-86.8	0	0	0	110.7	A109 I121 A123 T143	A109-F145 HydrophobicContact CB-CB 4.12Å; A109-F145 HydrophobicContact CB-CD1 4.28Å; A109-F145 HydrophobicContact CB-CD2 4.12Å; A109-F145 HydrophobicContact CB-CG 3.91Å; I121-F145 HydrophobicContact CG2-CD1 3.87Å; I121-F145 HydrophobicContact CG2-CE1 3.62Å; A123-F145 HydrophobicContact CB-CE1 3.9Å; A123-F145 HydrophobicContact CB-CZ 3.62Å; T143-F145 HydrophobicContact CG2-CE1 4.33Å; T143-F145 HydrophobicContact CG2-CE2 4.06Å; T143-F145 HydrophobicContact CG2-CZ 3.93Å
146	H	51.7	Low	52.2	Low	70 Å²	70	74.7 Å²	74.7	32%	0.324	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.2	178.1	-52.3	-83.6	0	0	0	110.7	S161 T162 D164	H146-S161 CarbonylContact O-C 3.6Å; H146-S161 VanDerWaalsContact O-CA 3.28Å; H146-S161 WeakPolarHBondContact O-CA 3.3Å; H146-T162 WeakPolarHBondContact CB-OG1 3.48Å; H146-T162 PolarHBondContact N-O 3Å; H146-T162 PolarHBondContact O-N 3.35Å; H146-D164 IonicContact CD2-OD2 3.79Å; H146-D164 IonicContact CE1-OD2 3.13Å; H146-D164 IonicContact NE2-OD2 3.94Å; H146-D164 PolarHBondContact NE2-OD2 2.92Å; H146-D164 VanDerWaalsContact NE2-OD2 3.13Å
147	K	51.8	Low	52.1	Low	158 Å²	158	77 Å²	77	69%	0.687	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.9	171.4	69.4	-178.6	-179	-177.3	0	110.1	H111	H111-K147 VanDerWaalsContact CE1-CB 3.47Å; H111-K147 WeakPolarHBondContact CE1-CB 3.22Å; H111-K147 WeakPolarHBondContact NE2-CB 3.49Å; H111-K147 WeakPolarHBondContact NE2-CD 3.47Å
148	G	44	Very low	52	Low	25 Å²	25	83.9 Å²	83.9	26%	0.258	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	178.5	179.8	0	0	0	0	0	112.8	Y159 F160	G148-Y159 CarbonylContact O-C 3.58Å; G148-Y159 WeakPolarHBondContact O-CA 3.22Å; G148-F160 VanDerWaalsContact C-CE1 3.49Å; G148-F160 PolarHBondContact N-O 3.1Å; G148-F160 PolarHBondContact O-N 3.02Å
149	S	49.6	Very low	51.9	Low	70 Å²	70	87.9 Å²	87.9	49%	0.49	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141	173.2	62.7	0	0	0	0	110.6	K158	S149-K158 CarbonylContact C-O 3.57Å; S149-K158 VanDerWaalsContact CA-O 3.26Å; S149-K158 WeakPolarHBondContact CA-O 3.37Å
150	I	41.5	Very low	51.6	Low	102 Å²	102	90.9 Å²	90.9	52%	0.523	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.9	174.4	143.7	171	0	0	0	108.1	T152 K158 F160	I150-T152 PolarHBondContact O-N 2.89Å; I150-K158 PolarHBondContact N-O 2.73Å; I150-K158 PolarHBondContact O-N 2.81Å; I150-F160 HydrophobicContact CG2-CD1 3.8Å; I150-F160 HydrophobicContact CG2-CE1 3.92Å
151	S	41.6	Very low	51.4	Low	89 Å²	89	86.6 Å²	86.6	62%	0.622	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.5	171.4	-72.4	0	0	0	0	110.6
152	T	52.2	Low	51.4	Low	48 Å²	48	87.7 Å²	87.7	29%	0.294	47%	0.471	S	S	.	.			trans	-71.6	168.3	173.3	62.7	0	0	0	0	111	I150 S154 G155 K156 K158	I150-T152 PolarHBondContact O-N 2.89Å; T152-S154 PolarHBondContact O-N 2.81Å; T152-S154 PolarHBondContact OG1-N 2.63Å; T152-S154 PolarHBondContact OG1-OG 3.44Å; T152-G155 PolarHBondContact O-N 3.42Å; T152-K156 WeakPolarHBondContact CG2-O 3.23Å; T152-K156 PolarHBondContact N-O 3.15Å; T152-K156 PolarHBondContact OG1-N 2.9Å; T152-K156 PolarHBondContact OG1-O 2.85Å; T152-K158 HydrophobicContact CG2-CB 4Å
153	K	55.6	Low	51.3	Low	230 Å²	230	86.4 Å²	86.4	100%	1	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.5	169.5	-73.5	-174.3	176.2	-177.9	0	113.6
154	S	75.8	Confident	51.3	Low	92 Å²	92	89.1 Å²	89.1	64%	0.643	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	8.8	175.8	54.3	0	0	0	0	114.1	T152 K156	T152-S154 PolarHBondContact O-N 2.81Å; T152-S154 PolarHBondContact OG1-N 2.63Å; T152-S154 PolarHBondContact OG1-OG 3.44Å; S154-K156 PolarHBondContact O-N 2.88Å
155	G	56.6	Low	51.2	Low	54 Å²	54	87.1 Å²	87.1	56%	0.557	46%	0.46	S	S	*	.	S	Bend	trans	72.9	-0.2	-179.7	0	0	0	0	0	114.7	T152	T152-G155 PolarHBondContact O-N 3.42Å
156	K	55.1	Low	51.3	Low	153 Å²	153	88.7 Å²	88.7	67%	0.665	47%	0.468	S	S	*	.			trans	-82.1	131.1	177.6	-69.5	-174.1	179.2	178.4	0	109.7	T152 S154 K158	T152-K156 WeakPolarHBondContact CG2-O 3.23Å; T152-K156 PolarHBondContact N-O 3.15Å; T152-K156 PolarHBondContact OG1-N 2.9Å; T152-K156 PolarHBondContact OG1-O 2.85Å; S154-K156 PolarHBondContact O-N 2.88Å; K156-K158 PolarHBondContact O-N 3.29Å
157	P	45.6	Very low	51.3	Low	64 Å²	64	85.8 Å²	85.8	42%	0.416	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.4	176.4	26.1	-31.7	0	0	0	110.4	Y159	P157-Y159 HydrophobicContact CB-CE2 4.11Å; P157-Y159 HydrophobicContact CG-CE2 4.05Å
158	K	44.2	Very low	51.3	Low	145 Å²	145	80.4 Å²	80.4	63%	0.63	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.4	167.5	-172.4	176.1	-177.8	-178	0	108.3	S149 I150 T152 K156	S149-K158 CarbonylContact C-O 3.57Å; S149-K158 VanDerWaalsContact CA-O 3.26Å; S149-K158 WeakPolarHBondContact CA-O 3.37Å; I150-K158 PolarHBondContact N-O 2.73Å; I150-K158 PolarHBondContact O-N 2.81Å; T152-K158 HydrophobicContact CG2-CB 4Å; K156-K158 PolarHBondContact O-N 3.29Å
159	Y	49.6	Very low	51.8	Low	140 Å²	140	79.8 Å²	79.8	55%	0.549	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	143.5	178.8	-60	-88.1	0	0	0	110.5	H113 G148 P157	H113-Y159 AromaticContact CE1-CG 3.88Å; G148-Y159 CarbonylContact O-C 3.58Å; G148-Y159 WeakPolarHBondContact O-CA 3.22Å; P157-Y159 HydrophobicContact CB-CE2 4.11Å; P157-Y159 HydrophobicContact CG-CE2 4.05Å
160	F	48.2	Very low	52.1	Low	86 Å²	86	78.9 Å²	78.9	38%	0.377	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.8	174.5	64.5	-94.3	0	0	0	110.4	G148 I150 T162	G148-F160 VanDerWaalsContact C-CE1 3.49Å; G148-F160 PolarHBondContact N-O 3.1Å; G148-F160 PolarHBondContact O-N 3.02Å; I150-F160 HydrophobicContact CG2-CD1 3.8Å; I150-F160 HydrophobicContact CG2-CE1 3.92Å; F160-T162 HydrophobicContact CD2-CG2 4.05Å
161	S	48	Very low	52.5	Low	35 Å²	35	75 Å²	75	25%	0.245	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.3	170.6	-63.8	0	0	0	0	108.4	H111 H146	H111-S161 PolarHBondContact NE2-OG 3.26Å; H146-S161 CarbonylContact O-C 3.6Å; H146-S161 VanDerWaalsContact O-CA 3.28Å; H146-S161 WeakPolarHBondContact O-CA 3.3Å
162	T	53	Low	53	Low	41 Å²	41	74.2 Å²	74.2	25%	0.252	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	176	178.3	58.9	0	0	0	0	109.4	H146 F160 Y225	H146-T162 WeakPolarHBondContact CB-OG1 3.48Å; H146-T162 PolarHBondContact N-O 3Å; H146-T162 PolarHBondContact O-N 3.35Å; F160-T162 HydrophobicContact CD2-CG2 4.05Å; T162-Y225 HydrophobicContact CG2-CD1 4.19Å; T162-Y225 HydrophobicContact CG2-CE1 4.37Å
163	Y	53.2	Low	52.9	Low	42 Å²	42	77.4 Å²	77.4	17%	0.165	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	171.7	63.8	-89.9	0	0	0	109.4	T143 T144 L183 A185	T143-Y163 HydrophobicContact CG2-CD2 4.28Å; T144-Y163 CarbonylContact O-C 3.6Å; T144-Y163 WeakPolarHBondContact O-CA 3.37Å; T144-Y163 WeakPolarHBondContact O-CB 3.1Å; Y163-L183 HydrophobicContact CD2-CD2 3.46Å; Y163-L183 VanDerWaalsContact CD2-CD2 3.46Å; Y163-L183 HydrophobicContact CE1-CD2 4.3Å; Y163-L183 HydrophobicContact CE2-CD2 3.04Å; Y163-L183 HydrophobicContact CE2-CG 4.47Å; Y163-L183 HydrophobicContact CG-CD2 4.27Å; Y163-A185 HydrophobicContact CD1-CB 4.21Å; Y163-A185 HydrophobicContact CE1-CB 3.81Å
164	D	53.5	Low	52.7	Low	97 Å²	97	72.5 Å²	72.5	52%	0.519	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.7	168.8	-70.9	-25.1	0	0	0	108.6	T143 T144 H146	T143-D164 CarbonylContact C-O 3.52Å; T143-D164 VanDerWaalsContact CA-O 3.31Å; T143-D164 WeakPolarHBondContact CA-O 3.28Å; T144-D164 PolarHBondContact N-O 2.81Å; T144-D164 PolarHBondContact O-N 3.4Å; H146-D164 IonicContact CD2-OD2 3.79Å; H146-D164 IonicContact CE1-OD2 3.13Å; H146-D164 IonicContact NE2-OD2 3.94Å; H146-D164 PolarHBondContact NE2-OD2 2.92Å; H146-D164 VanDerWaalsContact NE2-OD2 3.13Å
165	T	51.7	Low	51.3	Low	26 Å²	26	68.6 Å²	68.6	16%	0.16	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.1	178.7	-61.9	0	0	0	0	110.3	L141 T142 T143 F181 P220	L141-T165 HydrophobicContact CD1-CG2 4.5Å; L141-T165 HydrophobicContact CD2-CG2 3.34Å; L141-T165 HydrophobicContact CG-CG2 3.93Å; T142-T165 CarbonylContact O-C 3.59Å; T142-T165 VanDerWaalsContact O-CA 3.31Å; T142-T165 WeakPolarHBondContact O-CA 3.32Å; T143-T165 PolarHBondContact OG1-OG1 3.04Å; T143-T165 VanDerWaalsContact OG1-OG1 3.08Å; T165-F181 HydrophobicContact CG2-CD1 4.48Å; T165-F181 HydrophobicContact CG2-CE1 3.6Å; T165-F181 HydrophobicContact CG2-CZ 3.8Å; T165-P220 WeakPolarHBondContact O-CD 3.33Å; T165-P220 VanDerWaalsContact O-CG 3.22Å; T165-P220 WeakPolarHBondContact O-CG 3.19Å
166	E	54.3	Low	51	Low	96 Å²	96	71.3 Å²	71.3	45%	0.449	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	176.9	-58.7	-168.9	144.7	0	0	109	L141 T142 S219	L141-E166 CarbonylContact C-O 3.35Å; L141-E166 WeakPolarHBondContact CA-O 3.2Å; T142-E166 PolarHBondContact N-O 3.08Å; T142-E166 PolarHBondContact O-N 2.85Å; E166-S219 WeakPolarHBondContact OE1-CB 3.02Å; E166-S219 PolarHBondContact OE1-OG 2.53Å
167	G	52.3	Low	50.5	Low	9 Å²	9	64.3 Å²	64.3	9%	0.093	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141	-179.5	0	0	0	0	0	110.7	E140 Y218	E140-G167 CarbonylContact O-C 3.52Å; E140-G167 WeakPolarHBondContact O-CA 3.31Å; G167-Y218 PolarHBondContact N-O 3.3Å; G167-Y218 PolarHBondContact O-N 2.99Å
168	L	52.3	Low	50.6	Low	44 Å²	44	66.6 Å²	66.6	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.7	175.3	-113.4	151.4	0	0	0	108.3	Y139 E140 E215 N217	Y139-L168 WeakPolarHBondContact CA-O 3.47Å; E140-L168 HydrophobicContact CB-CB 4.1Å; E140-L168 PolarHBondContact N-O 2.85Å; E140-L168 PolarHBondContact O-N 2.88Å; L168-E215 HydrophobicContact CD2-CB 4.1Å; L168-E215 HydrophobicContact CD2-CG 4.14Å; L168-N217 VanDerWaalsContact CD1-OD1 3.23Å; L168-N217 WeakPolarHBondContact CD1-OD1 3.47Å; L168-N217 WeakPolarHBondContact CD2-OD1 3.5Å; L168-N217 VanDerWaalsContact CG-OD1 3.22Å; L168-N217 WeakPolarHBondContact CG-OD1 3.29Å
169	M	54.6	Low	50.7	Low	13 Å²	13	59.9 Å²	59.9	6%	0.064	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.2	172.5	-176.5	173.2	57.1	0	0	108.3	Y139 H171 A179 A201 S216	Y139-M169 HydrophobicContact CD1-CB 4.18Å; Y139-M169 HydrophobicContact CD1-CG 3.77Å; Y139-M169 HydrophobicContact CD1-SD 4.03Å; Y139-M169 HydrophobicContact CE1-CB 4.39Å; Y139-M169 HydrophobicContact CE1-CG 3.57Å; Y139-M169 HydrophobicContact CE1-SD 3.29Å; Y139-M169 WeakPolarHBondContact CE1-SD 3.49Å; M169-H171 WeakPolarHBondContact CE-NE2 2.97Å; M169-H171 PolarHBondContact SD-NE2 2.76Å; M169-A179 HydrophobicContact SD-CB 4.16Å; M169-A201 HydrophobicContact CE-CB 3.25Å; M169-S216 PolarHBondContact O-OG 3.22Å
170	K	54.7	Low	50.6	Low	51 Å²	51	57 Å²	57	22%	0.222	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.7	177.6	-169.6	175.7	179.9	-174.6	0	109.1	S137 D138 D213	S137-K170 VanDerWaalsContact CA-O 3.28Å; S137-K170 WeakPolarHBondContact CA-O 3.36Å; D138-K170 HydrophobicContact CB-CB 4.49Å; D138-K170 PolarHBondContact N-O 2.85Å; D138-K170 PolarHBondContact O-N 3.47Å; K170-D213 HydrophobicContact CD-CB 4.28Å; K170-D213 WeakPolarHBondContact CE-OD2 3.36Å; K170-D213 HydrophobicContact CG-CB 4.26Å; K170-D213 IonicContact NZ-OD2 2.77Å; K170-D213 PolarHBondContact NZ-OD2 2.83Å
171	H	51.6	Low	50.6	Low	19 Å²	19	53.7 Å²	53.7	9%	0.088	26%	0.262	C	S	.	.			trans	-97.8	129.6	175.9	-75.8	-74.9	0	0	0	110	S137 M169 T175 G177	S137-H171 PolarHBondContact OG-CE1 3.13Å; S137-H171 PolarHBondContact OG-ND1 2.87Å; M169-H171 WeakPolarHBondContact CE-NE2 2.97Å; M169-H171 PolarHBondContact SD-NE2 2.76Å; H171-T175 PolarHBondContact ND1-O 3.22Å; H171-T175 PolarHBondContact ND1-OG1 2.81Å; H171-G177 PolarHBondContact CE1-N 2.89Å; H171-G177 VanDerWaalsContact CE1-N 3.32Å
172	Y	50.8	Low	50.6	Low	74 Å²	74	53.1 Å²	53.1	29%	0.29	26%	0.256	S	S	.	.			trans	-82.1	153.9	165.4	-59.5	-71.8	0	0	0	109.5	G136 D138 T175 D213	G136-Y172 WeakPolarHBondContact O-CD2 3.09Å; G136-Y172 WeakPolarHBondContact O-CE2 3.4Å; D138-Y172 HydrophobicContact CB-CE2 4.36Å; D138-Y172 VanDerWaalsContact OD2-CE2 3.31Å; D138-Y172 WeakPolarHBondContact OD2-CE2 3.22Å; D138-Y172 VanDerWaalsContact OD2-CZ 3.31Å; D138-Y172 PolarHBondContact OD2-OH 3.36Å; Y172-T175 WeakPolarHBondContact O-CB 3.43Å; Y172-T175 WeakPolarHBondContact O-CG2 3Å; Y172-T175 PolarHBondContact O-N 3.09Å; Y172-T175 PolarHBondContact O-OG1 3.3Å; Y172-D213 WeakPolarHBondContact CD1-OD1 3.39Å
173	Q	51.1	Low	50.3	Low	114 Å²	114	51.3 Å²	51.3	53%	0.533	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-37.5	137.3	-169.8	-69.1	176.2	-23.5	0	0	115.7	T175	Q173-T175 WeakPolarHBondContact O-CG2 2.94Å; Q173-T175 PolarHBondContact O-N 3.46Å; Q173-T175 VanDerWaalsContact O-N 3.15Å
174	N	51.5	Low	50	Low	128 Å²	128	52.8 Å²	52.8	68%	0.684	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	17.2	178.3	-67.7	-26.3	0	0	0	116.1
175	T	46.4	Very low	49.4	Very low	9 Å²	9	48.4 Å²	48.4	6%	0.055	23%	0.233	C	C	.	.			trans	-101.3	128.9	179.2	72	0	0	0	0	111.9	T133 Q135 H171 Y172 Q173	T133-T175 WeakPolarHBondContact OG1-CB 3.46Å; T133-T175 WeakPolarHBondContact OG1-CG2 3.37Å; Q135-T175 HydrophobicContact CB-CG2 3.78Å; Q135-T175 WeakPolarHBondContact O-CG2 3.43Å; H171-T175 PolarHBondContact ND1-O 3.22Å; H171-T175 PolarHBondContact ND1-OG1 2.81Å; Y172-T175 WeakPolarHBondContact O-CB 3.43Å; Y172-T175 WeakPolarHBondContact O-CG2 3Å; Y172-T175 PolarHBondContact O-N 3.09Å; Y172-T175 PolarHBondContact O-OG1 3.3Å; Q173-T175 WeakPolarHBondContact O-CG2 2.94Å; Q173-T175 PolarHBondContact O-N 3.46Å; Q173-T175 VanDerWaalsContact O-N 3.15Å
176	H	48.8	Very low	49	Very low	112 Å²	112	53.2 Å²	53.2	52%	0.519	25%	0.251	S	S	.	.			trans	-106.6	126.9	170.9	-63.5	71	0	0	0	107.1	T131 D132	T131-H176 WeakPolarHBondContact CA-O 3.31Å; D132-H176 PolarHBondContact N-O 2.9Å
177	G	45.5	Very low	48.3	Very low	6 Å²	6	50.2 Å²	50.2	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.1	179.7	0	0	0	0	0	113.5	F130 H171	F130-G177 CarbonylContact O-C 3.58Å; F130-G177 WeakPolarHBondContact O-CA 3.34Å; H171-G177 PolarHBondContact CE1-N 2.89Å; H171-G177 VanDerWaalsContact CE1-N 3.32Å
178	R	46.8	Very low	47.9	Very low	112 Å²	112	56.8 Å²	56.8	42%	0.423	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.7	178.8	-61.4	-177.3	-179.6	173	3.7	108.1	F130	F130-R178 HydrophobicContact CB-CB 4.45Å; F130-R178 WeakPolarHBondContact CB-O 3.39Å; F130-R178 PolarHBondContact N-O 3.32Å; F130-R178 PolarHBondContact O-N 2.74Å
179	A	46.7	Very low	47.1	Very low	4 Å²	4	57.3 Å²	57.3	3%	0.033	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.3	172.7	0	0	0	0	0	108.7	F128 Y139 M169 M199	F128-A179 CarbonylContact O-C 3.46Å; F128-A179 WeakPolarHBondContact O-CA 3.21Å; Y139-A179 HydrophobicContact CD1-CB 3.76Å; Y139-A179 HydrophobicContact CE1-CB 3.41Å; Y139-A179 VanDerWaalsContact CE1-CB 3.41Å; M169-A179 HydrophobicContact SD-CB 4.16Å; A179-M199 HydrophobicContact CB-CB 4.49Å; A179-M199 PolarHBondContact N-O 2.81Å; A179-M199 CarbonylContact O-C 3.56Å; A179-M199 PolarHBondContact O-N 3.21Å
180	K	47.7	Very low	46.2	Very low	79 Å²	79	63.6 Å²	63.6	34%	0.343	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.1	165.6	-173	173.6	-177.7	170.4	0	108.9	F128 F130	F128-K180 HydrophobicContact CB-CB 4.27Å; F128-K180 PolarHBondContact N-O 2.81Å; F128-K180 PolarHBondContact O-N 2.86Å; F130-K180 HydrophobicContact CE2-CB 3.96Å
181	F	48.4	Very low	45.4	Very low	17 Å²	17	65 Å²	65	8%	0.075	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.2	177.6	176.7	-114.6	0	0	0	110.4	M105 E126 L127 L141 T165 L183 K197	M105-F181 HydrophobicContact CE-CE2 4.37Å; E126-F181 WeakPolarHBondContact O-CD2 3.46Å; L127-F181 HydrophobicContact CB-CD2 4.15Å; L127-F181 HydrophobicContact CD1-CD2 4.49Å; L141-F181 HydrophobicContact CD1-CB 4.3Å; L141-F181 HydrophobicContact CD1-CD1 4.14Å; L141-F181 HydrophobicContact CD1-CD2 3.26Å; L141-F181 HydrophobicContact CD1-CE1 4.25Å; L141-F181 HydrophobicContact CD1-CE2 3.42Å; L141-F181 VanDerWaalsContact CD1-CE2 3.42Å; L141-F181 HydrophobicContact CD1-CG 3.63Å; L141-F181 HydrophobicContact CD1-CZ 3.91Å; L141-F181 HydrophobicContact CD2-CD2 4.16Å; L141-F181 HydrophobicContact CD2-CE1 4.16Å; L141-F181 HydrophobicContact CD2-CE2 3.38Å; L141-F181 HydrophobicContact CD2-CZ 3.37Å; L141-F181 HydrophobicContact CG-CD2 4.35Å; L141-F181 HydrophobicContact CG-CE2 4.05Å; L141-F181 HydrophobicContact CG-CZ 4.26Å; T165-F181 HydrophobicContact CG2-CD1 4.48Å; T165-F181 HydrophobicContact CG2-CE1 3.6Å; T165-F181 HydrophobicContact CG2-CZ 3.8Å; F181-L183 HydrophobicContact CE1-CB 3.59Å; F181-L183 HydrophobicContact CE1-CD1 4.31Å; F181-L183 HydrophobicContact CE1-CG 4.45Å; F181-L183 HydrophobicContact CE2-CD1 4.36Å; F181-L183 HydrophobicContact CZ-CB 3.57Å; F181-L183 HydrophobicContact CZ-CD1 3.53Å; F181-L183 HydrophobicContact CZ-CG 4.1Å; F181-K197 PolarHBondContact N-O 2.9Å; F181-K197 PolarHBondContact O-N 2.77Å
182	N	47.5	Very low	44.7	Very low	22 Å²	22	72.1 Å²	72.1	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.7	173.6	-70.2	-31.9	0	0	0	108.2	G125 E126	G125-N182 CarbonylContact C-O 3.59Å; G125-N182 WeakPolarHBondContact CA-O 3.34Å; E126-N182 PolarHBondContact N-O 2.81Å; E126-N182 PolarHBondContact O-N 3.03Å
183	L	47.1	Very low	44.2	Very low	4 Å²	4	71.2 Å²	71.2	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.6	169.2	-163.4	87.6	0	0	0	109.8	A123 T143 Y163 F181 D195	A123-L183 HydrophobicContact CB-CD1 4.34Å; T143-L183 HydrophobicContact CG2-CD2 4.49Å; Y163-L183 HydrophobicContact CD2-CD2 3.46Å; Y163-L183 VanDerWaalsContact CD2-CD2 3.46Å; Y163-L183 HydrophobicContact CE1-CD2 4.3Å; Y163-L183 HydrophobicContact CE2-CD2 3.04Å; Y163-L183 HydrophobicContact CE2-CG 4.47Å; Y163-L183 HydrophobicContact CG-CD2 4.27Å; F181-L183 HydrophobicContact CE1-CB 3.59Å; F181-L183 HydrophobicContact CE1-CD1 4.31Å; F181-L183 HydrophobicContact CE1-CG 4.45Å; F181-L183 HydrophobicContact CE2-CD1 4.36Å; F181-L183 HydrophobicContact CZ-CB 3.57Å; F181-L183 HydrophobicContact CZ-CD1 3.53Å; F181-L183 HydrophobicContact CZ-CG 4.1Å; L183-D195 PolarHBondContact N-O 3.33Å; L183-D195 PolarHBondContact O-N 3.41Å
184	N	46.3	Very low	43.7	Very low	73 Å²	73	72.8 Å²	72.8	39%	0.39	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.2	167.5	-71.2	-57.5	0	0	0	108.9	A123 V124	A123-N184 WeakPolarHBondContact CA-O 3.28Å; V124-N184 PolarHBondContact N-O 3.16Å; V124-N184 PolarHBondContact O-N 3.44Å
185	A	40.6	Very low	43	Very low	4 Å²	4	69.6 Å²	69.6	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.5	174	0	0	0	0	0	110.3	A123 Y163 Y193	A123-A185 HydrophobicContact CB-CB 3.89Å; Y163-A185 HydrophobicContact CD1-CB 4.21Å; Y163-A185 HydrophobicContact CE1-CB 3.81Å; A185-Y193 PolarHBondContact N-O 3.32Å; A185-Y193 VanDerWaalsContact N-O 3.15Å; A185-Y193 PolarHBondContact O-N 3.03Å
186	K	43.9	Very low	42.6	Very low	128 Å²	128	74.9 Å²	74.9	56%	0.557	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.7	177.5	-134.6	-177.4	-178.8	-173.9	0	108.9	K122 K192	K122-K186 PolarHBondContact N-O 2.82Å; K122-K186 PolarHBondContact O-N 2.83Å; K186-K192 HydrophobicContact CG-CG 4.19Å
187	S	40.7	Very low	42.2	Very low	32 Å²	32	72.5 Å²	72.5	22%	0.224	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.8	166.1	166.4	0	0	0	0	108	G189 H190	S187-G189 PolarHBondContact O-N 3.35Å; S187-H190 VanDerWaalsContact CB-O 3.31Å; S187-H190 WeakPolarHBondContact CB-O 3.32Å; S187-H190 PolarHBondContact OG-O 3.34Å
188	H	42.5	Very low	41.7	Very low	148 Å²	148	78.2 Å²	78.2	69%	0.685	37%	0.374	S	S	*	.	S	Bend	trans	-72.1	105	178.3	-130.7	-34.8	0	0	0	109.3	H120	H120-H188 HydrophobicContact CB-CB 4.49Å; H120-H188 PolarHBondContact O-N 3.11Å
189	G	35.4	Very low	41.1	Very low	54 Å²	54	74.7 Å²	74.7	56%	0.557	36%	0.362	S	S	*	.	S	Bend	trans	131.6	-40.1	172.5	0	0	0	0	0	114.1	S187	S187-G189 PolarHBondContact O-N 3.35Å
190	H	36.7	Very low	40.6	Very low	145 Å²	145	80.8 Å²	80.8	67%	0.671	39%	0.388	S	S	*	.	S	Bend	trans	-154.9	134.3	177.4	-76	-85.9	0	0	0	109.7	S187	S187-H190 VanDerWaalsContact CB-O 3.31Å; S187-H190 WeakPolarHBondContact CB-O 3.32Å; S187-H190 PolarHBondContact OG-O 3.34Å
191	E	37.9	Very low	39.8	Very low	82 Å²	82	78.5 Å²	78.5	38%	0.383	38%	0.384	S	S	.	.			trans	72.3	126.4	173.8	-62.5	169.8	171.5	0	0	118	Y193 L228	E191-Y193 HydrophobicContact CB-CE2 3.87Å; E191-Y193 PolarHBondContact OE2-OH 3.15Å; E191-L228 VanDerWaalsContact CD-CD2 3.48Å; E191-L228 WeakPolarHBondContact OE2-CD2 3.21Å
192	K	36.2	Very low	38.8	Very low	168 Å²	168	83.5 Å²	83.5	73%	0.73	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.8	167.8	-74.6	179.5	179.8	171.8	0	107.7	K186	K186-K192 HydrophobicContact CG-CG 4.19Å
193	Y	40.9	Very low	37.9	Very low	54 Å²	54	84.4 Å²	84.4	21%	0.212	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120	172.9	-60.4	-88.8	0	0	0	108.7	A185 E191 L228	A185-Y193 PolarHBondContact N-O 3.32Å; A185-Y193 VanDerWaalsContact N-O 3.15Å; A185-Y193 PolarHBondContact O-N 3.03Å; E191-Y193 HydrophobicContact CB-CE2 3.87Å; E191-Y193 PolarHBondContact OE2-OH 3.15Å; Y193-L228 HydrophobicContact CE1-CD2 3.7Å; Y193-L228 HydrophobicContact CE1-CG 4.47Å; Y193-L228 VanDerWaalsContact OH-CD2 3.22Å; Y193-L228 WeakPolarHBondContact OH-CD2 3.35Å
194	K	39.5	Very low	36.9	Very low	147 Å²	147	89.9 Å²	89.9	64%	0.639	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.9	177.3	-169.3	176.2	-170.8	-169.9	0	108
195	D	36.9	Very low	36	Very low	62 Å²	62	91.3 Å²	91.3	33%	0.332	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.6	172.5	-158.8	3	0	0	0	108.9	L183	L183-D195 PolarHBondContact N-O 3.33Å; L183-D195 PolarHBondContact O-N 3.41Å
196	Q	38.7	Very low	35.2	Very low	120 Å²	120	100 Å²	100	56%	0.561	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	104.3	175	-75.6	-169.7	-32.9	0	0	107.4
197	K	41	Very low	34.3	Very low	61 Å²	61	100.7 Å²	100.7	27%	0.265	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.7	178.5	-88.1	-176.2	173.5	-175.7	0	111.4	F181 H223	F181-K197 PolarHBondContact N-O 2.9Å; F181-K197 PolarHBondContact O-N 2.77Å; K197-H223 PolarHBondContact NZ-CD2 3.26Å; K197-H223 PolarHBondContact NZ-NE2 2.65Å
198	E	33.8	Very low	33.6	Very low	127 Å²	127	106.5 Å²	106.5	59%	0.593	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.6	173.9	-162.9	178	176	0	0	108.5
199	M	36	Very low	32.9	Very low	37 Å²	37	106 Å²	106	18%	0.182	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.2	178.9	-64.1	179.6	79.9	0	0	108.7	A179 Y218	A179-M199 HydrophobicContact CB-CB 4.49Å; A179-M199 PolarHBondContact N-O 2.81Å; A179-M199 CarbonylContact O-C 3.56Å; A179-M199 PolarHBondContact O-N 3.21Å; M199-Y218 VanDerWaalsContact CE-CB 3.5Å; M199-Y218 HydrophobicContact CE-CD1 3.29Å; M199-Y218 HydrophobicContact CE-CD2 4.35Å; M199-Y218 HydrophobicContact CE-CE1 4.05Å; M199-Y218 HydrophobicContact CE-CG 3.45Å; M199-Y218 VanDerWaalsContact CE-CG 3.45Å
200	K	34.2	Very low	32.8	Very low	133 Å²	133	111.2 Å²	111.2	58%	0.578	56%	0.555	S	S	*	*			trans	-101.1	112.9	169	-84.9	-179.4	177.2	173.2	0	108.5
201	A	30.9	Very low	32.4	Very low	31 Å²	31	108.7 Å²	108.7	26%	0.256	55%	0.55	S	S	.	.			trans	-99	134.9	157	0	0	0	0	0	107.9	M169	M169-A201 HydrophobicContact CE-CB 3.25Å
202	T	28.6	Very low	32.4	Very low	121 Å²	121	112.1 Å²	112.1	74%	0.742	57%	0.569	S	S	*	*			trans	-120.2	104.2	171.9	-34.1	0	0	0	0	105
203	V	28.7	Very low	32.5	Very low	41 Å²	41	106.8 Å²	106.8	25%	0.248	55%	0.548	C	S	.	.			trans	-96.7	111.4	175.5	-177.7	0	0	0	0	107.1
204	T	26.7	Very low	32.2	Very low	120 Å²	120	108.5 Å²	108.5	74%	0.736	56%	0.561	S	S	*	*			trans	-86	111.7	168	29.1	0	0	0	0	108.2	E206	T204-E206 PolarHBondContact O-N 2.84Å
205	F	26.4	Very low	32	Very low	103 Å²	103	107.3 Å²	107.3	45%	0.452	56%	0.558	S	S	.	*			trans	-64.2	112.3	169.3	-94.5	-91.7	0	0	0	109.1	N207	F205-N207 PolarHBondContact O-N 3.3Å
206	E	23.9	Very low	32	Very low	187 Å²	187	106 Å²	106	87%	0.874	55%	0.554	S	S	*	*			trans	-82	95.8	161.1	-74	-168.6	165.9	0	0	108.1	T204	T204-E206 PolarHBondContact O-N 2.84Å
207	N	24.8	Very low	31.7	Very low	142 Å²	142	106.2 Å²	106.2	76%	0.759	56%	0.559	S	S	*	*	S	Bend	trans	44.9	118.9	161.3	-75.1	-27.2	0	0	0	119.6	F205 D209	F205-N207 PolarHBondContact O-N 3.3Å; N207-D209 PolarHBondContact O-N 2.66Å; N207-D209 VanDerWaalsContact O-N 3.11Å
208	N	26.5	Very low	31.3	Very low	153 Å²	153	109.3 Å²	109.3	82%	0.818	57%	0.569	S	S	*	*			trans	24	75.5	142.5	-69.8	-9.9	0	0	0	116.4
209	D	27.1	Very low	31.2	Very low	139 Å²	139	105.9 Å²	105.9	74%	0.743	56%	0.56	S	S	*	*			trans	-152.5	153	149.6	-94.6	-34.6	0	0	0	108.7	N207 T211	N207-D209 PolarHBondContact O-N 2.66Å; N207-D209 VanDerWaalsContact O-N 3.11Å; D209-T211 PolarHBondContact O-N 3.21Å; D209-T211 PolarHBondContact O-OG1 3.44Å
210	N	34.8	Very low	31	Very low	163 Å²	163	106.1 Å²	106.1	87%	0.872	56%	0.564	S	S	*	*			trans	-65.6	57.7	-175.4	-73.8	-40.9	0	0	0	113.1
211	T	27.9	Very low	30.7	Very low	92 Å²	92	105.9 Å²	105.9	56%	0.564	57%	0.574	S	S	*	*			trans	-86.9	140	179.7	49.9	0	0	0	0	111.5	D209	D209-T211 PolarHBondContact O-N 3.21Å; D209-T211 PolarHBondContact O-OG1 3.44Å
212	I	37.1	Very low	30.5	Very low	154 Å²	154	108.9 Å²	108.9	79%	0.79	59%	0.593	S	S	*	*			trans	-60	138.3	178.8	-64.5	159.7	0	0	0	108.4	D214	I212-D214 PolarHBondContact O-N 2.71Å
213	D	37.7	Very low	30.5	Very low	56 Å²	56	109.5 Å²	109.5	30%	0.299	59%	0.587	S	S	.	*			trans	-29	122.1	-179.6	-57.1	-42.3	0	0	0	114.4	K170 Y172 E215	K170-D213 HydrophobicContact CD-CB 4.28Å; K170-D213 WeakPolarHBondContact CE-OD2 3.36Å; K170-D213 HydrophobicContact CG-CB 4.26Å; K170-D213 IonicContact NZ-OD2 2.77Å; K170-D213 PolarHBondContact NZ-OD2 2.83Å; Y172-D213 WeakPolarHBondContact CD1-OD1 3.39Å; D213-E215 PolarHBondContact O-N 3.19Å
214	D	35	Very low	30.5	Very low	89 Å²	89	112.5 Å²	112.5	48%	0.476	61%	0.608	S	S	.	*			trans	-73.2	117.3	179	-104	-27.8	0	0	0	111.1	I212	I212-D214 PolarHBondContact O-N 2.71Å
215	E	35	Very low	30.7	Very low	122 Å²	122	115.1 Å²	115.1	57%	0.57	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.7	114.6	171.7	-84	178.1	179.4	0	0	110.4	L168 D213	L168-E215 HydrophobicContact CD2-CB 4.1Å; L168-E215 HydrophobicContact CD2-CG 4.14Å; D213-E215 PolarHBondContact O-N 3.19Å
216	S	37.4	Very low	30.8	Very low	35 Å²	35	112.5 Å²	112.5	25%	0.245	61%	0.607	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92	106.3	169.5	62	0	0	0	0	110.1	M169	M169-S216 PolarHBondContact O-OG 3.22Å
217	N	31.8	Very low	30.9	Very low	125 Å²	125	112.2 Å²	112.2	67%	0.668	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.9	123.2	174.8	-86.9	-34.4	0	0	0	110.7	L168	L168-N217 VanDerWaalsContact CD1-OD1 3.23Å; L168-N217 WeakPolarHBondContact CD1-OD1 3.47Å; L168-N217 WeakPolarHBondContact CD2-OD1 3.5Å; L168-N217 VanDerWaalsContact CG-OD1 3.22Å; L168-N217 WeakPolarHBondContact CG-OD1 3.29Å
218	Y	33.1	Very low	30.9	Very low	125 Å²	125	110.5 Å²	110.5	49%	0.49	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.7	104.7	169.4	-166.6	-88.9	0	0	0	110.3	G167 M199 P220	G167-Y218 PolarHBondContact N-O 3.3Å; G167-Y218 PolarHBondContact O-N 2.99Å; M199-Y218 VanDerWaalsContact CE-CB 3.5Å; M199-Y218 HydrophobicContact CE-CD1 3.29Å; M199-Y218 HydrophobicContact CE-CD2 4.35Å; M199-Y218 HydrophobicContact CE-CE1 4.05Å; M199-Y218 HydrophobicContact CE-CG 3.45Å; M199-Y218 VanDerWaalsContact CE-CG 3.45Å; Y218-P220 HydrophobicContact CE1-CB 3.93Å; Y218-P220 HydrophobicContact CE1-CG 4.33Å
219	S	31.7	Very low	30.8	Very low	55 Å²	55	110.8 Å²	110.8	39%	0.385	59%	0.59	S	S	.	*			trans	-108.3	112.5	167.9	-179.7	0	0	0	0	108.3	E166 T221	E166-S219 WeakPolarHBondContact OE1-CB 3.02Å; E166-S219 PolarHBondContact OE1-OG 2.53Å; S219-T221 PolarHBondContact O-N 3.11Å
220	P	32.5	Very low	30.5	Very low	42 Å²	42	106.3 Å²	106.3	27%	0.273	58%	0.576	S	S	.	*			trans	-77.5	77.5	175	30.9	-27.7	0	0	0	108.8	T165 Y218 S222	T165-P220 WeakPolarHBondContact O-CD 3.33Å; T165-P220 VanDerWaalsContact O-CG 3.22Å; T165-P220 WeakPolarHBondContact O-CG 3.19Å; Y218-P220 HydrophobicContact CE1-CB 3.93Å; Y218-P220 HydrophobicContact CE1-CG 4.33Å; P220-S222 PolarHBondContact O-N 2.81Å; P220-S222 VanDerWaalsContact O-N 3.1Å
221	T	28	Very low	30.1	Very low	128 Å²	128	113.1 Å²	113.1	79%	0.785	59%	0.592	S	S	*	*			trans	-68.5	-2.9	174.5	48.8	0	0	0	0	113.5	S219	S219-T221 PolarHBondContact O-N 3.11Å
222	S	25	Very low	30.2	Very low	95 Å²	95	114.2 Å²	114.2	66%	0.664	59%	0.593	S	S	*	*			trans	-138.9	75.5	-175.5	51.4	0	0	0	0	112.2	P220	P220-S222 PolarHBondContact O-N 2.81Å; P220-S222 VanDerWaalsContact O-N 3.1Å
223	H	29.6	Very low	29.8	Very low	133 Å²	133	112.1 Å²	112.1	62%	0.616	58%	0.583	S	S	*	*			trans	-136.2	126.4	153.3	-111.9	41.5	0	0	0	112.5	K197 Y225	K197-H223 PolarHBondContact NZ-CD2 3.26Å; K197-H223 PolarHBondContact NZ-NE2 2.65Å; H223-Y225 VanDerWaalsContact C-N 3.34Å; H223-Y225 PolarHBondContact O-N 3.47Å
224	P	28.3	Very low	29.4	Very low	105 Å²	105	115.2 Å²	115.2	68%	0.682	60%	0.599	S	S	*	*			trans	-85	79.6	-173.3	35.4	-32.7	0	0	0	109
225	Y	30.5	Very low	29.1	Very low	175 Å²	175	116.7 Å²	116.7	69%	0.686	61%	0.606	S	S	*	*			trans	64.2	137.6	173.3	-50.5	-86.9	0	0	0	113.8	T162 H223 K227	T162-Y225 HydrophobicContact CG2-CD1 4.19Å; T162-Y225 HydrophobicContact CG2-CE1 4.37Å; H223-Y225 VanDerWaalsContact C-N 3.34Å; H223-Y225 PolarHBondContact O-N 3.47Å; Y225-K227 PolarHBondContact O-N 3.24Å; Y225-K227 VanDerWaalsContact O-N 3.13Å
226	G	28.6	Very low	28.7	Very low	47 Å²	47	116.4 Å²	116.4	49%	0.485	61%	0.608	S	S	.	*	S	Bend	trans	-51.5	126.4	159.1	0	0	0	0	0	107.9	L228	G226-L228 PolarHBondContact O-N 3.27Å
227	K	26.3	Very low	28.1	Very low	182 Å²	182	121.8 Å²	121.8	79%	0.791	63%	0.632	S	S	*	*			trans	-54.6	109	-179	-151.8	-178.5	-173.4	-171.7	0	107.7	Y225 E229	Y225-K227 PolarHBondContact O-N 3.24Å; Y225-K227 VanDerWaalsContact O-N 3.13Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 3.25Å
228	L	24.9	Very low	27.9	Very low	106 Å²	106	121.6 Å²	121.6	56%	0.555	63%	0.63	S	S	*	*			trans	-66.2	92.4	170.5	-76.9	162.7	0	0	0	107	E191 Y193 G226 G230	E191-L228 VanDerWaalsContact CD-CD2 3.48Å; E191-L228 WeakPolarHBondContact OE2-CD2 3.21Å; Y193-L228 HydrophobicContact CE1-CD2 3.7Å; Y193-L228 HydrophobicContact CE1-CG 4.47Å; Y193-L228 VanDerWaalsContact OH-CD2 3.22Å; Y193-L228 WeakPolarHBondContact OH-CD2 3.35Å; G226-L228 PolarHBondContact O-N 3.27Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.41Å; L228-G230 VanDerWaalsContact O-N 3.1Å
229	E	24.4	Very low	27.5	Very low	159 Å²	159	121.3 Å²	121.3	74%	0.743	64%	0.64	S	S	*	*			trans	-75.6	94.5	164	-68.2	-163.8	166.6	0	0	107.1	K227	K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 3.25Å
230	G	20.8	Very low	27.1	Very low	45 Å²	45	126.8 Å²	126.8	46%	0.464	66%	0.662	S	S	.	*			trans	-70.9	138.9	178	0	0	0	0	0	111.9	L228	L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.41Å; L228-G230 VanDerWaalsContact O-N 3.1Å
231	Y	26.7	Very low	26.6	Very low	305 Å²	305	134.5 Å²	134.5	100%	1.196	70%	0.697	S	S	*	*			trans	-148.2	0	142.5	-80.8	-74.9	0	0	0	108.6

Retrieved 231 of 231 residues in 156.3 ms (Link to these results)

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