G4VST4_SCHMA Loading...

Cytochrome-c oxidase

AlphaFold DB , UniProt , Accession G4VST4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 aa.

						>G4VST4_SCHMA|G4VST4
MFAYSRINVLRSIPLIRSYVGSCYSRLFTTKSDAKESSENCVVSDFPLLREAVNAQNFDLVSKIVVEHDPFEVKRIRIPSENSELSPNLIPSQSHRRMVGCICEPEADSINWLELEKGNPVQCYCGHWFQLVNYEDYFNMTNQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.8	Very low	39.8	Very low	237 Å²	237	169.3 Å²	169.3	100%	1.167	83%	0.829	S	S	*	*				0	93.9	0	-75.1	174.5	176	0	0	108
2	F	34.9	Very low	40	Very low	201 Å²	201	164.8 Å²	164.8	88%	0.882	83%	0.828	S	S	*	*			trans	-102	99.8	170.3	-72.1	-78	0	0	0	107.1	Y4	F2-Y4 PolarHBondContact O-N 3.15Å
3	A	39.2	Very low	39.8	Very low	97 Å²	97	163.8 Å²	163.8	80%	0.802	82%	0.824	S	S	*	*			trans	-80.3	94.3	-178.3	0	0	0	0	0	109.4	S5	A3-S5 PolarHBondContact O-N 3.37Å
4	Y	41.5	Very low	39.7	Very low	231 Å²	231	160.7 Å²	160.7	91%	0.906	82%	0.821	S	S	*	*			trans	-72.1	108.6	155.5	-74.8	-87	0	0	0	107.3	F2	F2-Y4 PolarHBondContact O-N 3.15Å
5	S	41.3	Very low	39.8	Very low	92 Å²	92	159.2 Å²	159.2	64%	0.643	81%	0.814	S	S	*	*			trans	-116.1	107.7	179	-174.7	0	0	0	0	110.9	A3	A3-S5 PolarHBondContact O-N 3.37Å
6	R	42.8	Very low	40.1	Very low	221 Å²	221	158.6 Å²	158.6	83%	0.834	81%	0.811	S	S	*	*			trans	62.2	102.2	140.9	-60.2	-175.3	167.8	-176.5	-3.5	116.9
7	I	43.2	Very low	39.9	Very low	148 Å²	148	160.2 Å²	160.2	76%	0.759	81%	0.805	S	S	*	*				50.2	106.1	93	-56.2	169.4	0	0	0	112.9
8	N	40.1	Very low	39.9	Very low	168 Å²	168	156.8 Å²	156.8	90%	0.898	80%	0.798	S	S	*	*			trans	-137.5	77.3	145.4	-114	-22	0	0	0	108.8
9	V	37.1	Very low	40.2	Very low	121 Å²	121	158.4 Å²	158.4	73%	0.733	80%	0.795	S	S	*	*			trans	-86.7	108.1	155.3	172.5	0	0	0	0	105
10	L	40.7	Very low	40.3	Very low	129 Å²	129	157.2 Å²	157.2	68%	0.675	80%	0.796	S	S	*	*			trans	-163.4	117.5	145.9	-82.4	-164.2	0	0	0	111.3
11	R	38.8	Very low	40.3	Very low	217 Å²	217	152.6 Å²	152.6	82%	0.819	79%	0.788	S	S	*	*			trans	67	108.1	131	-65.1	176.4	173	178.9	-2	118.5
12	S	41.9	Very low	40.3	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	77%	0.767	S	S	*	*				-168.6	119.4	100	35.2	0	0	0	0	110.9	P14	S12-P14 WeakPolarHBondContact O-CD 3.3Å
13	I	36.8	Very low	40.2	Very low	152 Å²	152	141.4 Å²	141.4	78%	0.779	76%	0.757	S	S	*	*			trans	-85.6	121.8	162.7	-67.2	166	0	0	0	106.1	L15	I13-L15 HydrophobicContact CG2-CG 4.08Å
14	P	38.8	Very low	40.3	Very low	120 Å²	120	144.9 Å²	144.9	78%	0.779	75%	0.75	S	S	*	*			trans	-95.4	111.3	147.5	29.2	-17.9	0	0	0	108.3	S12	S12-P14 WeakPolarHBondContact O-CD 3.3Å
15	L	41.2	Very low	40.2	Very low	138 Å²	138	139 Å²	139	72%	0.723	74%	0.743	S	S	*	*			trans	-62.3	156.7	157	-85.2	157.3	0	0	0	109.9	I13	I13-L15 HydrophobicContact CG2-CG 4.08Å
16	I	44.1	Very low	40.4	Very low	150 Å²	150	144.4 Å²	144.4	77%	0.769	75%	0.749	S	S	*	*			trans	83.6	126.8	159.4	-54.6	138.2	0	0	0	113
17	R	37.9	Very low	40.3	Very low	186 Å²	186	140.3 Å²	140.3	70%	0.702	74%	0.743	S	S	*	*			cis	-160.6	145.8	28.2	-156.3	160.7	167.6	169	-2.6	109.8	Y19	R17-Y19 HydrophobicContact CG-CD2 4.43Å; R17-Y19 HydrophobicContact CG-CE2 4.37Å; R17-Y19 PolarHBondContact O-N 3.08Å
18	S	38.3	Very low	39.9	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	74%	0.744	S	S	*	*			trans	-58.7	124.9	160.2	68.8	0	0	0	0	110.2
19	Y	46.1	Very low	39.9	Very low	187 Å²	187	140.7 Å²	140.7	73%	0.733	74%	0.744	S	S	*	*			trans	-125.1	96.2	154	-98.3	-86.5	0	0	0	107.6	R17 G21	R17-Y19 HydrophobicContact CG-CD2 4.43Å; R17-Y19 HydrophobicContact CG-CE2 4.37Å; R17-Y19 PolarHBondContact O-N 3.08Å; Y19-G21 VanDerWaalsContact C-N 3.27Å; Y19-G21 PolarHBondContact O-N 3.15Å
20	V	41.8	Very low	39.8	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	74%	0.742	S	S	*	*			trans	-64.4	94.2	157.1	-168.9	0	0	0	0	106.1
21	G	41.4	Very low	39.6	Very low	61 Å²	61	143.6 Å²	143.6	63%	0.629	75%	0.751	S	S	*	*			trans	-110.6	105	153.6	0	0	0	0	0	104.9	Y19	Y19-G21 VanDerWaalsContact C-N 3.27Å; Y19-G21 PolarHBondContact O-N 3.15Å
22	S	39.1	Very low	39.7	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	74%	0.742	S	S	*	*				46.6	111.8	58.7	-157.2	0	0	0	0	111.3
23	C	32.1	Very low	39.7	Very low	98 Å²	98	139.2 Å²	139.2	66%	0.662	74%	0.742	S	S	*	*			trans	73.2	115.6	-174.5	-55.8	0	0	0	0	113.3
24	Y	42	Very low	40.1	Very low	171 Å²	171	135.9 Å²	135.9	67%	0.671	74%	0.737	S	S	*	*			cis	-154.1	117.9	47.7	-95.2	-94.1	0	0	0	110.6	R26	Y24-R26 HydrophobicContact CD1-CG 3.88Å; Y24-R26 HydrophobicContact CG-CG 4.42Å; Y24-R26 PolarHBondContact O-N 2.81Å; Y24-R26 VanDerWaalsContact O-N 3.11Å
25	S	39.5	Very low	40	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	74%	0.743	S	S	*	*				-46.5	103.3	129.9	43.8	0	0	0	0	109.9
26	R	43.8	Very low	39.9	Very low	205 Å²	205	141.5 Å²	141.5	77%	0.774	75%	0.746	S	S	*	*			trans	-119.9	91.4	154.1	-81.9	-168.7	-172.9	-162.2	2	108.7	Y24	Y24-R26 HydrophobicContact CD1-CG 3.88Å; Y24-R26 HydrophobicContact CG-CG 4.42Å; Y24-R26 PolarHBondContact O-N 2.81Å; Y24-R26 VanDerWaalsContact O-N 3.11Å
27	L	41.8	Very low	39.8	Very low	136 Å²	136	138.5 Å²	138.5	71%	0.712	74%	0.738	S	S	*	*			trans	-48.8	136.7	154.1	-99.2	83.2	0	0	0	110.6
28	F	35.7	Very low	40.2	Very low	176 Å²	176	134.2 Å²	134.2	77%	0.772	74%	0.737	S	S	*	*			trans	46	109.1	151.4	-56.2	-75.2	0	0	0	119.4
29	T	39.7	Very low	40.5	Very low	148 Å²	148	137.3 Å²	137.3	91%	0.908	74%	0.74	S	S	*	*			trans	-130.4	117.3	135.6	57.8	0	0	0	0	109.9
30	T	35.2	Very low	40.3	Very low	110 Å²	110	134.2 Å²	134.2	68%	0.675	74%	0.736	S	S	*	*			trans	-80.9	160.3	172.6	53.9	0	0	0	0	111.8
31	K	36.6	Very low	40.1	Very low	200 Å²	200	133.7 Å²	133.7	87%	0.87	74%	0.737	S	S	*	*			trans	84.1	133.1	164.7	-60.7	-179.2	179.8	-178.6	0	114.2
32	S	40.6	Very low	40.4	Very low	90 Å²	90	135.3 Å²	135.3	63%	0.629	74%	0.735	S	S	*	*			cis	-164.6	164.1	11.7	49.6	0	0	0	0	110
33	D	41.2	Very low	40.8	Very low	152 Å²	152	137 Å²	137	81%	0.813	74%	0.74	S	S	*	*			trans	70.2	55.6	154.6	-45.9	-41.9	0	0	0	118.2
34	A	44.5	Very low	41.8	Very low	81 Å²	81	135.3 Å²	135.3	67%	0.669	73%	0.73	S	S	*	*			trans	-109	111.8	134.2	0	0	0	0	0	106.3	E36	A34-E36 HydrophobicContact CB-CB 4.4Å; A34-E36 PolarHBondContact O-N 3.5Å
35	K	37.5	Very low	42.6	Very low	212 Å²	212	131.8 Å²	131.8	92%	0.922	72%	0.723	S	S	*	*			trans	-64.9	68.6	151.1	-72.7	-178.2	-177.4	177.9	0	106.6	S37	K35-S37 PolarHBondContact O-N 3.48Å
36	E	39	Very low	44.1	Very low	165 Å²	165	128.6 Å²	128.6	77%	0.771	70%	0.695	S	S	*	*			trans	-72.9	88.2	153.5	-161.9	152.5	-161.9	0	0	101.7	A34 S38	A34-E36 HydrophobicContact CB-CB 4.4Å; A34-E36 PolarHBondContact O-N 3.5Å; E36-S38 PolarHBondContact O-N 3.23Å
37	S	42.7	Very low	45.7	Very low	87 Å²	87	121.1 Å²	121.1	61%	0.608	67%	0.673	S	S	*	*			trans	-48.5	103.6	151.7	43.2	0	0	0	0	103.4	K35 E39	K35-S37 PolarHBondContact O-N 3.48Å; S37-E39 PolarHBondContact O-N 2.88Å
38	S	45.2	Very low	47.5	Very low	96 Å²	96	116 Å²	116	67%	0.671	65%	0.646	S	S	*	*			trans	-57.2	78.2	151	36.6	0	0	0	0	104.5	E36 N40	E36-S38 PolarHBondContact O-N 3.23Å; S38-N40 PolarHBondContact O-N 3.44Å
39	E	46.2	Very low	49.8	Very low	162 Å²	162	110.3 Å²	110.3	76%	0.757	62%	0.624	S	S	*	*			trans	-55.8	83.9	138.2	-73.7	-179.2	167.4	0	0	102.8	S37 C41	S37-E39 PolarHBondContact O-N 2.88Å; E39-C41 VanDerWaalsContact C-N 3.26Å; E39-C41 PolarHBondContact O-N 3.45Å
40	N	41.4	Very low	52	Low	123 Å²	123	109.9 Å²	109.9	66%	0.658	61%	0.606	S	S	*	*			trans	-42.1	114.5	146.7	-77.3	-25.1	0	0	0	102.7	S38 V42	S38-N40 PolarHBondContact O-N 3.44Å; N40-V42 HydrophobicContact CB-CG2 3.51Å; N40-V42 PolarHBondContact O-N 3.16Å
41	C	37.9	Very low	54.5	Low	124 Å²	124	109.8 Å²	109.8	84%	0.838	60%	0.597	S	S	*	*			trans	-63.2	66.9	157.9	-55.9	0	0	0	0	105.3	E39 V43	E39-C41 VanDerWaalsContact C-N 3.26Å; E39-C41 PolarHBondContact O-N 3.45Å; C41-V43 PolarHBondContact O-N 3.3Å
42	V	45.9	Very low	57	Low	95 Å²	95	100.6 Å²	100.6	58%	0.576	56%	0.559	S	S	*	*			trans	-63.6	96.3	156.2	-167.4	0	0	0	0	99.5	N40 S44	N40-V42 HydrophobicContact CB-CG2 3.51Å; N40-V42 PolarHBondContact O-N 3.16Å; V42-S44 WeakPolarHBondContact O-CA 3.32Å; V42-S44 PolarHBondContact O-N 3.03Å; V42-S44 PolarHBondContact O-OG 2.75Å
43	V	48.6	Very low	59.5	Low	138 Å²	138	100.2 Å²	100.2	84%	0.836	55%	0.553	S	S	*	*			trans	-48.5	97.4	153.4	177.6	0	0	0	0	101.9	C41 D45	C41-V43 PolarHBondContact O-N 3.3Å; V43-D45 PolarHBondContact O-N 3.49Å
44	S	52.1	Low	61.9	Low	64 Å²	64	98.6 Å²	98.6	45%	0.448	54%	0.544	S	S	.	.			trans	-55.9	141.5	-166.4	-36.5	0	0	0	0	104.6	V42 F46	V42-S44 WeakPolarHBondContact O-CA 3.32Å; V42-S44 PolarHBondContact O-N 3.03Å; V42-S44 PolarHBondContact O-OG 2.75Å; S44-F46 PolarHBondContact O-N 3.28Å
45	D	60	Low	64.2	Low	97 Å²	97	98.2 Å²	98.2	52%	0.519	54%	0.541	S	S	.	.			trans	-33.1	123.1	166.6	-79.5	-61.2	0	0	0	107.6	V43 P47 R50 Q93	V43-D45 PolarHBondContact O-N 3.49Å; D45-P47 VanDerWaalsContact C-CD 3.4Å; D45-P47 VanDerWaalsContact C-N 3.33Å; D45-P47 WeakPolarHBondContact O-CD 3.38Å; D45-R50 IonicContact OD1-CZ 3.53Å; D45-R50 IonicContact OD1-NE 3.43Å; D45-R50 PolarHBondContact OD1-NE 3.45Å; D45-R50 IonicContact OD1-NH2 2.76Å; D45-R50 PolarHBondContact OD1-NH2 3.31Å; D45-Q93 PolarHBondContact O-NE2 2.9Å
46	F	71.5	Confident	66.8	Low	39 Å²	39	95.1 Å²	95.1	17%	0.171	53%	0.529	C	S	.	.			trans	-84.9	87.5	172.3	-175	-92.3	0	0	0	103.7	S44 L48 L49 R50 I64 H68 Y134	S44-F46 PolarHBondContact O-N 3.28Å; F46-L48 HydrophobicContact CD1-CB 4.18Å; F46-L48 HydrophobicContact CE1-CB 3.74Å; F46-L48 HydrophobicContact CZ-CB 4.3Å; F46-L48 PolarHBondContact O-N 2.99Å; F46-L48 VanDerWaalsContact O-N 3.09Å; F46-L49 HydrophobicContact CB-CB 4.44Å; F46-L49 HydrophobicContact CD1-CB 3.32Å; F46-L49 HydrophobicContact CE1-CB 3.94Å; F46-L49 HydrophobicContact CG-CB 4.33Å; F46-L49 PolarHBondContact O-N 3.41Å; F46-R50 PolarHBondContact O-N 3.16Å; F46-I64 HydrophobicContact CD1-CG2 4.22Å; F46-I64 HydrophobicContact CE1-CD1 4.38Å; F46-I64 HydrophobicContact CE1-CG2 3.41Å; F46-I64 VanDerWaalsContact CE1-CG2 3.41Å; F46-I64 HydrophobicContact CZ-CG2 3.99Å; F46-H68 AromaticContact CD2-NE2 3.71Å; F46-H68 AromaticContact CE2-CD2 3.23Å; F46-H68 WeakPolarHBondContact CE2-CD2 3.16Å; F46-H68 AromaticContact CE2-NE2 3.17Å; F46-H68 WeakPolarHBondContact CE2-NE2 3.44Å; F46-H68 AromaticContact CZ-CD2 3.49Å; F46-H68 VanDerWaalsContact CZ-CD2 3.49Å; F46-H68 WeakPolarHBondContact CZ-CD2 3.42Å; F46-H68 AromaticContact CZ-NE2 3.95Å; F46-Y134 HydrophobicContact CE2-CE1 4.21Å
47	P	77	Confident	69.4	Low	48 Å²	48	90.1 Å²	90.1	31%	0.312	51%	0.508	S	S	.	.	H	α-helix	trans	-56.7	-33.4	-166.7	21.4	-34.3	0	0	0	111.2	D45 L49 R50 E51	D45-P47 VanDerWaalsContact C-CD 3.4Å; D45-P47 VanDerWaalsContact C-N 3.33Å; D45-P47 WeakPolarHBondContact O-CD 3.38Å; P47-L49 PolarHBondContact O-N 3.13Å; P47-R50 CarbonylContact O-C 3.47Å; P47-R50 WeakPolarHBondContact O-CA 3.4Å; P47-R50 WeakPolarHBondContact O-CB 3.28Å; P47-R50 PolarHBondContact O-N 3.41Å; P47-R50 VanDerWaalsContact O-N 3.13Å; P47-E51 WeakPolarHBondContact O-CB 3.41Å; P47-E51 VanDerWaalsContact O-CG 3.28Å; P47-E51 WeakPolarHBondContact O-CG 3.5Å; P47-E51 PolarHBondContact O-N 3.39Å
48	L	79	Confident	71.7	Confident	29 Å²	29	93.3 Å²	93.3	15%	0.152	51%	0.511	C	S	.	.	H	α-helix	trans	-63	-38	177.5	-65.3	179	0	0	0	114.2	F46 A52 Y134 F138	F46-L48 HydrophobicContact CD1-CB 4.18Å; F46-L48 HydrophobicContact CE1-CB 3.74Å; F46-L48 HydrophobicContact CZ-CB 4.3Å; F46-L48 PolarHBondContact O-N 2.99Å; F46-L48 VanDerWaalsContact O-N 3.09Å; L48-A52 VanDerWaalsContact O-CB 3.24Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 3.43Å; L48-Y134 HydrophobicContact CD1-CG 4.35Å; L48-F138 HydrophobicContact CD1-CD2 3.41Å; L48-F138 VanDerWaalsContact CD1-CD2 3.41Å; L48-F138 HydrophobicContact CD1-CE2 3.25Å; L48-F138 HydrophobicContact CD1-CZ 4.43Å
49	L	84.3	Confident	73.9	Confident	56 Å²	56	95.2 Å²	95.2	29%	0.293	51%	0.514	S	S	.	.	H	α-helix	trans	-70.7	-40.5	174.3	179	65	0	0	0	109.4	F46 P47 E51 A52 V53 V61 I64 V65	F46-L49 HydrophobicContact CB-CB 4.44Å; F46-L49 HydrophobicContact CD1-CB 3.32Å; F46-L49 HydrophobicContact CE1-CB 3.94Å; F46-L49 HydrophobicContact CG-CB 4.33Å; F46-L49 PolarHBondContact O-N 3.41Å; P47-L49 PolarHBondContact O-N 3.13Å; L49-E51 VanDerWaalsContact C-N 3.34Å; L49-E51 PolarHBondContact O-N 3.48Å; L49-A52 PolarHBondContact O-N 3.08Å; L49-V53 HydrophobicContact CD1-CG2 4.16Å; L49-V53 HydrophobicContact CG-CG2 4.3Å; L49-V53 WeakPolarHBondContact O-CB 3.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.47Å; L49-V53 PolarHBondContact O-N 2.63Å; L49-V61 HydrophobicContact CD1-CB 4.41Å; L49-V61 HydrophobicContact CD1-CG1 3.9Å; L49-V61 HydrophobicContact CD1-CG2 4.24Å; L49-I64 HydrophobicContact CB-CG2 4.34Å; L49-I64 HydrophobicContact CD1-CG2 4.15Å; L49-V65 HydrophobicContact CD1-CG2 4.32Å
50	R	86.4	Confident	75.8	Confident	140 Å²	140	91.4 Å²	91.4	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-60.8	-45.1	176.5	-178	178.4	-70.8	-81.2	5.1	111.1	D45 F46 P47 V53 N54	D45-R50 IonicContact OD1-CZ 3.53Å; D45-R50 IonicContact OD1-NE 3.43Å; D45-R50 PolarHBondContact OD1-NE 3.45Å; D45-R50 IonicContact OD1-NH2 2.76Å; D45-R50 PolarHBondContact OD1-NH2 3.31Å; F46-R50 PolarHBondContact O-N 3.16Å; P47-R50 CarbonylContact O-C 3.47Å; P47-R50 WeakPolarHBondContact O-CA 3.4Å; P47-R50 WeakPolarHBondContact O-CB 3.28Å; P47-R50 PolarHBondContact O-N 3.41Å; P47-R50 VanDerWaalsContact O-N 3.13Å; R50-V53 PolarHBondContact O-N 2.68Å; R50-N54 VanDerWaalsContact O-CB 3.32Å; R50-N54 WeakPolarHBondContact O-CB 3.46Å; R50-N54 PolarHBondContact O-N 3.38Å; R50-N54 PolarHBondContact O-ND2 3.46Å; R50-N54 PolarHBondContact O-OD1 3.2Å
51	E	87.3	Confident	78.1	Confident	107 Å²	107	87 Å²	87	50%	0.5	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-46.3	175.5	-74.5	167.7	-164.5	0	0	111.7	P47 L49 V53 N54 A55	P47-E51 WeakPolarHBondContact O-CB 3.41Å; P47-E51 VanDerWaalsContact O-CG 3.28Å; P47-E51 WeakPolarHBondContact O-CG 3.5Å; P47-E51 PolarHBondContact O-N 3.39Å; L49-E51 VanDerWaalsContact C-N 3.34Å; L49-E51 PolarHBondContact O-N 3.48Å; E51-V53 VanDerWaalsContact C-N 3.34Å; E51-V53 PolarHBondContact O-N 3.39Å; E51-N54 PolarHBondContact O-N 3.48Å; E51-A55 VanDerWaalsContact O-CB 3.3Å; E51-A55 WeakPolarHBondContact O-CB 3.38Å; E51-A55 PolarHBondContact O-N 3.3Å
52	A	89.2	Confident	80.6	Confident	8 Å²	8	84.5 Å²	84.5	7%	0.066	46%	0.46	C	S	.	.	H	α-helix	trans	-62.9	-39.8	177.6	0	0	0	0	0	112.3	L48 L49 A55 Q56 N57 L60 V61 I64	L48-A52 VanDerWaalsContact O-CB 3.24Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 3.43Å; L49-A52 PolarHBondContact O-N 3.08Å; A52-A55 PolarHBondContact O-N 3.01Å; A52-Q56 PolarHBondContact O-N 3Å; A52-Q56 VanDerWaalsContact O-N 3.15Å; A52-N57 PolarHBondContact O-N 3.36Å; A52-L60 HydrophobicContact CB-CB 4.24Å; A52-V61 HydrophobicContact CB-CG2 3.7Å; A52-I64 HydrophobicContact CB-CD1 4.09Å
53	V	92.7	Very high	82.5	Confident	82 Å²	82	84.2 Å²	84.2	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-65.9	-44	174.1	170.2	0	0	0	0	110.8	L49 R50 E51 A55 Q56 V61	L49-V53 HydrophobicContact CD1-CG2 4.16Å; L49-V53 HydrophobicContact CG-CG2 4.3Å; L49-V53 WeakPolarHBondContact O-CB 3.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.47Å; L49-V53 PolarHBondContact O-N 2.63Å; R50-V53 PolarHBondContact O-N 2.68Å; E51-V53 VanDerWaalsContact C-N 3.34Å; E51-V53 PolarHBondContact O-N 3.39Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 3.26Å; V53-Q56 PolarHBondContact O-N 2.85Å; V53-Q56 VanDerWaalsContact O-N 3.08Å; V53-V61 HydrophobicContact CG2-CG2 3.84Å
54	N	92.6	Very high	84.2	Confident	118 Å²	118	78.9 Å²	78.9	63%	0.631	42%	0.417	S	S	*	.	H	α-helix	trans	-64.6	-37.7	177.5	-71.8	-16.7	0	0	0	112.3	R50 E51 Q56	R50-N54 VanDerWaalsContact O-CB 3.32Å; R50-N54 WeakPolarHBondContact O-CB 3.46Å; R50-N54 PolarHBondContact O-N 3.38Å; R50-N54 PolarHBondContact O-ND2 3.46Å; R50-N54 PolarHBondContact O-OD1 3.2Å; E51-N54 PolarHBondContact O-N 3.48Å; N54-Q56 PolarHBondContact O-N 3.47Å
55	A	92.7	Very high	85.7	Confident	73 Å²	73	80.4 Å²	80.4	60%	0.603	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.8	174.7	0	0	0	0	0	113.4	E51 A52 V53 N57	E51-A55 VanDerWaalsContact O-CB 3.3Å; E51-A55 WeakPolarHBondContact O-CB 3.38Å; E51-A55 PolarHBondContact O-N 3.3Å; A52-A55 PolarHBondContact O-N 3.01Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 3.26Å; A55-N57 PolarHBondContact O-N 3.14Å; A55-N57 VanDerWaalsContact O-N 3.15Å
56	Q	91.5	Very high	86.8	Confident	146 Å²	146	80.6 Å²	80.6	68%	0.682	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	30.4	-175.5	-57.3	-176	-5.6	0	0	113.5	A52 V53 N54 F58	A52-Q56 PolarHBondContact O-N 3Å; A52-Q56 VanDerWaalsContact O-N 3.15Å; V53-Q56 PolarHBondContact O-N 2.85Å; V53-Q56 VanDerWaalsContact O-N 3.08Å; N54-Q56 PolarHBondContact O-N 3.47Å; Q56-F58 HydrophobicContact CB-CE2 4.44Å; Q56-F58 WeakPolarHBondContact O-CD2 3.35Å; Q56-F58 PolarHBondContact O-N 2.75Å; Q56-F58 VanDerWaalsContact O-N 3.14Å
57	N	92.9	Very high	87	Confident	61 Å²	61	83.8 Å²	83.8	33%	0.326	44%	0.444	S	S	.	.			trans	-87.5	84.2	179.1	-167.4	-28.7	0	0	0	109.7	A52 A55 D59 L60 V61	A52-N57 PolarHBondContact O-N 3.36Å; A55-N57 PolarHBondContact O-N 3.14Å; A55-N57 VanDerWaalsContact O-N 3.15Å; N57-D59 PolarHBondContact O-N 2.9Å; N57-D59 PolarHBondContact OD1-N 3.21Å; N57-L60 HydrophobicContact CB-CB 4.23Å; N57-L60 HydrophobicContact CB-CD1 4.14Å; N57-L60 HydrophobicContact CB-CG 4.32Å; N57-L60 WeakPolarHBondContact ND2-CD1 3.44Å; N57-L60 WeakPolarHBondContact ND2-CG 3.19Å; N57-L60 PolarHBondContact O-N 3Å; N57-L60 PolarHBondContact OD1-N 3.45Å; N57-V61 WeakPolarHBondContact O-CG2 3.28Å; N57-V61 PolarHBondContact O-N 2.81Å
58	F	91.5	Very high	86.8	Confident	154 Å²	154	84.7 Å²	84.7	68%	0.675	44%	0.443	S	S	*	.	H	α-helix	trans	-61.6	-31.4	-176.1	-63	-73.1	0	0	0	113.5	Q56 V61 S62	Q56-F58 HydrophobicContact CB-CE2 4.44Å; Q56-F58 WeakPolarHBondContact O-CD2 3.35Å; Q56-F58 PolarHBondContact O-N 2.75Å; Q56-F58 VanDerWaalsContact O-N 3.14Å; F58-V61 PolarHBondContact O-N 3.44Å; F58-S62 WeakPolarHBondContact O-CB 3.38Å; F58-S62 PolarHBondContact O-N 3.18Å
59	D	91.2	Very high	86.7	Confident	135 Å²	135	84.4 Å²	84.4	72%	0.722	44%	0.442	S	S	*	.	H	α-helix	trans	-66.1	-45.2	178.1	-63.3	-31.9	0	0	0	110.7	N57 S62 K63	N57-D59 PolarHBondContact O-N 2.9Å; N57-D59 PolarHBondContact OD1-N 3.21Å; D59-S62 PolarHBondContact O-N 3Å; D59-K63 WeakPolarHBondContact O-CB 3.42Å; D59-K63 PolarHBondContact O-N 3Å
60	L	86.5	Confident	86.2	Confident	83 Å²	83	86.7 Å²	86.7	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-65.5	-42.1	174.3	-69.5	-178.1	0	0	0	112	A52 N57 S62 K63 I64	A52-L60 HydrophobicContact CB-CB 4.24Å; N57-L60 HydrophobicContact CB-CB 4.23Å; N57-L60 HydrophobicContact CB-CD1 4.14Å; N57-L60 HydrophobicContact CB-CG 4.32Å; N57-L60 WeakPolarHBondContact ND2-CD1 3.44Å; N57-L60 WeakPolarHBondContact ND2-CG 3.19Å; N57-L60 PolarHBondContact O-N 3Å; N57-L60 PolarHBondContact OD1-N 3.45Å; L60-S62 PolarHBondContact O-N 3.02Å; L60-K63 PolarHBondContact O-N 2.76Å; L60-I64 WeakPolarHBondContact O-CB 3.45Å; L60-I64 WeakPolarHBondContact O-CD1 3.16Å; L60-I64 WeakPolarHBondContact O-CG1 3.24Å; L60-I64 PolarHBondContact O-N 3.41Å
61	V	90	Very high	85.7	Confident	30 Å²	30	87.9 Å²	87.9	18%	0.182	47%	0.47	C	S	.	.	H	α-helix	trans	-59.8	-47	176.5	170.8	0	0	0	0	110.8	L49 A52 V53 N57 F58 K63 I64 V65	L49-V61 HydrophobicContact CD1-CB 4.41Å; L49-V61 HydrophobicContact CD1-CG1 3.9Å; L49-V61 HydrophobicContact CD1-CG2 4.24Å; A52-V61 HydrophobicContact CB-CG2 3.7Å; V53-V61 HydrophobicContact CG2-CG2 3.84Å; N57-V61 WeakPolarHBondContact O-CG2 3.28Å; N57-V61 PolarHBondContact O-N 2.81Å; F58-V61 PolarHBondContact O-N 3.44Å; V61-K63 PolarHBondContact O-N 2.86Å; V61-I64 PolarHBondContact O-N 3.36Å; V61-V65 HydrophobicContact CG1-CG2 4.36Å; V61-V65 WeakPolarHBondContact O-CB 3.32Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.42Å; V61-V65 PolarHBondContact O-N 2.98Å
62	S	89.2	Confident	85.2	Confident	72 Å²	72	85.7 Å²	85.7	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-44.6	177.7	178	0	0	0	0	111.3	F58 D59 L60 V65 V66	F58-S62 WeakPolarHBondContact O-CB 3.38Å; F58-S62 PolarHBondContact O-N 3.18Å; D59-S62 PolarHBondContact O-N 3Å; L60-S62 PolarHBondContact O-N 3.02Å; S62-V65 PolarHBondContact O-N 3.27Å; S62-V66 WeakPolarHBondContact O-CB 3.17Å; S62-V66 VanDerWaalsContact O-CG2 3.25Å; S62-V66 WeakPolarHBondContact O-CG2 3.44Å; S62-V66 PolarHBondContact O-N 3.09Å
63	K	86.1	Confident	84.7	Confident	89 Å²	89	90.7 Å²	90.7	39%	0.387	49%	0.489	S	S	.	.	H	α-helix	trans	-59.3	-49.3	176.7	-172.9	177.4	179.7	-176.6	0	111.2	D59 L60 V61 V65 V66 E67	D59-K63 WeakPolarHBondContact O-CB 3.42Å; D59-K63 PolarHBondContact O-N 3Å; L60-K63 PolarHBondContact O-N 2.76Å; V61-K63 PolarHBondContact O-N 2.86Å; K63-V65 PolarHBondContact O-N 3.17Å; K63-V66 PolarHBondContact O-N 3.04Å; K63-E67 VanDerWaalsContact CE-CD 3.46Å; K63-E67 WeakPolarHBondContact CE-OE1 2.78Å; K63-E67 WeakPolarHBondContact CE-OE2 3.42Å; K63-E67 VanDerWaalsContact CG-CD 3.43Å; K63-E67 HydrophobicContact CG-CG 4.24Å; K63-E67 WeakPolarHBondContact CG-OE1 3.32Å; K63-E67 WeakPolarHBondContact CG-OE2 3.03Å; K63-E67 VanDerWaalsContact O-CB 3.25Å; K63-E67 WeakPolarHBondContact O-CB 3.36Å; K63-E67 WeakPolarHBondContact O-CG 3.1Å; K63-E67 PolarHBondContact O-N 3.37Å
64	I	83.9	Confident	84.2	Confident	25 Å²	25	92.3 Å²	92.3	13%	0.128	49%	0.489	C	S	.	.	H	α-helix	trans	-57.8	-51.8	177.6	-70.4	164.3	0	0	0	110.4	F46 L49 A52 L60 V61 V66 H68	F46-I64 HydrophobicContact CD1-CG2 4.22Å; F46-I64 HydrophobicContact CE1-CD1 4.38Å; F46-I64 HydrophobicContact CE1-CG2 3.41Å; F46-I64 VanDerWaalsContact CE1-CG2 3.41Å; F46-I64 HydrophobicContact CZ-CG2 3.99Å; L49-I64 HydrophobicContact CB-CG2 4.34Å; L49-I64 HydrophobicContact CD1-CG2 4.15Å; A52-I64 HydrophobicContact CB-CD1 4.09Å; L60-I64 WeakPolarHBondContact O-CB 3.45Å; L60-I64 WeakPolarHBondContact O-CD1 3.16Å; L60-I64 WeakPolarHBondContact O-CG1 3.24Å; L60-I64 PolarHBondContact O-N 3.41Å; V61-I64 PolarHBondContact O-N 3.36Å; I64-V66 VanDerWaalsContact C-N 3.3Å; I64-V66 PolarHBondContact O-N 2.89Å; I64-H68 HydrophobicContact CG2-CB 4.45Å; I64-H68 WeakPolarHBondContact O-CA 3.44Å; I64-H68 WeakPolarHBondContact O-CB 3.05Å; I64-H68 PolarHBondContact O-N 3.37Å
65	V	84.7	Confident	83.7	Confident	97 Å²	97	97.1 Å²	97.1	59%	0.588	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-33.8	-175.5	171.9	0	0	0	0	112.5	L49 V61 S62 K63	L49-V65 HydrophobicContact CD1-CG2 4.32Å; V61-V65 HydrophobicContact CG1-CG2 4.36Å; V61-V65 WeakPolarHBondContact O-CB 3.32Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.42Å; V61-V65 PolarHBondContact O-N 2.98Å; S62-V65 PolarHBondContact O-N 3.27Å; K63-V65 PolarHBondContact O-N 3.17Å
66	V	82.1	Confident	83.3	Confident	100 Å²	100	100 Å²	100	61%	0.606	50%	0.503	S	S	*	.	H	α-helix	trans	-82	-42.5	-179.3	173.1	0	0	0	0	112.1	S62 K63 I64 K74	S62-V66 WeakPolarHBondContact O-CB 3.17Å; S62-V66 VanDerWaalsContact O-CG2 3.25Å; S62-V66 WeakPolarHBondContact O-CG2 3.44Å; S62-V66 PolarHBondContact O-N 3.09Å; K63-V66 PolarHBondContact O-N 3.04Å; I64-V66 VanDerWaalsContact C-N 3.3Å; I64-V66 PolarHBondContact O-N 2.89Å; V66-K74 PolarHBondContact O-NZ 3.49Å
67	E	75.8	Confident	83.1	Confident	107 Å²	107	104.4 Å²	104.4	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-77.4	-42.5	-177.1	-70.2	179.2	177.8	0	0	111.4	K63 D69 K74	K63-E67 VanDerWaalsContact CE-CD 3.46Å; K63-E67 WeakPolarHBondContact CE-OE1 2.78Å; K63-E67 WeakPolarHBondContact CE-OE2 3.42Å; K63-E67 VanDerWaalsContact CG-CD 3.43Å; K63-E67 HydrophobicContact CG-CG 4.24Å; K63-E67 WeakPolarHBondContact CG-OE1 3.32Å; K63-E67 WeakPolarHBondContact CG-OE2 3.03Å; K63-E67 VanDerWaalsContact O-CB 3.25Å; K63-E67 WeakPolarHBondContact O-CB 3.36Å; K63-E67 WeakPolarHBondContact O-CG 3.1Å; K63-E67 PolarHBondContact O-N 3.37Å; E67-D69 PolarHBondContact O-N 3.35Å; E67-K74 PolarHBondContact O-NZ 3.24Å
68	H	74.1	Confident	82.9	Confident	66 Å²	66	104 Å²	104	31%	0.306	51%	0.51	S	S	.	.			trans	-67.4	115.5	-173	-167.6	-75.7	0	0	0	111.3	F46 I64	F46-H68 AromaticContact CD2-NE2 3.71Å; F46-H68 AromaticContact CE2-CD2 3.23Å; F46-H68 WeakPolarHBondContact CE2-CD2 3.16Å; F46-H68 AromaticContact CE2-NE2 3.17Å; F46-H68 WeakPolarHBondContact CE2-NE2 3.44Å; F46-H68 AromaticContact CZ-CD2 3.49Å; F46-H68 VanDerWaalsContact CZ-CD2 3.49Å; F46-H68 WeakPolarHBondContact CZ-CD2 3.42Å; F46-H68 AromaticContact CZ-NE2 3.95Å; I64-H68 HydrophobicContact CG2-CB 4.45Å; I64-H68 WeakPolarHBondContact O-CA 3.44Å; I64-H68 WeakPolarHBondContact O-CB 3.05Å; I64-H68 PolarHBondContact O-N 3.37Å
69	D	76.5	Confident	82.7	Confident	23 Å²	23	100.3 Å²	100.3	12%	0.123	50%	0.501	C	S	.	.			trans	-102.1	115.7	174.3	177.8	-6.1	0	0	0	108	E67 F71 E72 V73 K74	E67-D69 PolarHBondContact O-N 3.35Å; D69-F71 PolarHBondContact O-N 2.94Å; D69-F71 PolarHBondContact OD1-N 3.39Å; D69-E72 WeakPolarHBondContact O-CG 3.5Å; D69-E72 PolarHBondContact O-N 2.84Å; D69-E72 PolarHBondContact OD1-N 3.28Å; D69-E72 WeakPolarHBondContact OD2-CA 3.38Å; D69-V73 WeakPolarHBondContact OD2-CG2 3.29Å; D69-V73 PolarHBondContact OD2-N 3.38Å; D69-K74 HydrophobicContact CB-CD 4.48Å; D69-K74 PolarHBondContact OD2-N 2.89Å
70	P	72.3	Confident	82.4	Confident	104 Å²	104	100.2 Å²	100.2	68%	0.675	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.3	179.5	-25.3	34.1	0	0	0	114.1
71	F	77.1	Confident	82.3	Confident	165 Å²	165	104.3 Å²	104.3	72%	0.724	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-2.2	179.8	-58.8	-71.6	0	0	0	113.1	D69 V73	D69-F71 PolarHBondContact O-N 2.94Å; D69-F71 PolarHBondContact OD1-N 3.39Å; F71-V73 HydrophobicContact CB-CG1 3.79Å; F71-V73 PolarHBondContact O-N 2.86Å; F71-V73 VanDerWaalsContact O-N 3.13Å
72	E	76.4	Confident	82.4	Confident	62 Å²	62	104.3 Å²	104.3	29%	0.29	53%	0.527	S	S	.	.			trans	44	43.6	-176.2	-61.3	169.6	-136.1	0	0	113	D69 K74 R97	D69-E72 WeakPolarHBondContact O-CG 3.5Å; D69-E72 PolarHBondContact O-N 2.84Å; D69-E72 PolarHBondContact OD1-N 3.28Å; D69-E72 WeakPolarHBondContact OD2-CA 3.38Å; E72-K74 VanDerWaalsContact C-N 3.27Å; E72-R97 IonicContact OE1-CZ 3.2Å; E72-R97 IonicContact OE1-NH1 2.68Å; E72-R97 PolarHBondContact OE1-NH1 2.81Å; E72-R97 IonicContact OE1-NH2 3.3Å; E72-R97 PolarHBondContact OE1-NH2 2.74Å; E72-R97 IonicContact OE2-CZ 2.85Å; E72-R97 IonicContact OE2-NE 3.31Å; E72-R97 PolarHBondContact OE2-NE 2.85Å; E72-R97 IonicContact OE2-NH1 3.19Å; E72-R97 PolarHBondContact OE2-NH1 3.4Å; E72-R97 IonicContact OE2-NH2 2.87Å; E72-R97 PolarHBondContact OE2-NH2 3.36Å
73	V	77.8	Confident	82.6	Confident	113 Å²	113	103 Å²	103	69%	0.685	52%	0.518	S	S	*	.			trans	-76.6	-15.2	178.2	-64.9	0	0	0	0	112.6	D69 F71 R75	D69-V73 WeakPolarHBondContact OD2-CG2 3.29Å; D69-V73 PolarHBondContact OD2-N 3.38Å; F71-V73 HydrophobicContact CB-CG1 3.79Å; F71-V73 PolarHBondContact O-N 2.86Å; F71-V73 VanDerWaalsContact O-N 3.13Å; V73-R75 PolarHBondContact O-N 3.31Å
74	K	82.5	Confident	83	Confident	115 Å²	115	104.6 Å²	104.6	50%	0.5	53%	0.527	S	S	.	.	S	Bend	trans	-62.3	127.9	175.7	-69.3	178.3	-173.4	167.2	0	110.6	V66 E67 D69 E72 I76	V66-K74 PolarHBondContact O-NZ 3.49Å; E67-K74 PolarHBondContact O-NZ 3.24Å; D69-K74 HydrophobicContact CB-CD 4.48Å; D69-K74 PolarHBondContact OD2-N 2.89Å; E72-K74 VanDerWaalsContact C-N 3.27Å; K74-I76 PolarHBondContact O-N 2.96Å
75	R	82	Confident	83.4	Confident	219 Å²	219	111.4 Å²	111.4	83%	0.826	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-72.2	120	173.4	-73.9	-173.9	-78.5	-170.6	-4.9	110.4	V73	V73-R75 PolarHBondContact O-N 3.31Å
76	I	84.4	Confident	83.8	Confident	135 Å²	135	109.5 Å²	109.5	69%	0.692	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-90.2	133.7	173	-57.7	170.9	0	0	0	108.3	K74	K74-I76 PolarHBondContact O-N 2.96Å
77	R	87.1	Confident	84.4	Confident	237 Å²	237	105.7 Å²	105.7	89%	0.894	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-78.5	130.5	173.6	-70.3	-176	-179.1	148.3	0.1	109.3
78	I	89.4	Confident	85.2	Confident	54 Å²	54	101.6 Å²	101.6	28%	0.277	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-74.7	126.6	173.7	-61.3	166.8	0	0	0	108.1	N82 N88 H127 F129	I78-N82 HydrophobicContact CG2-CB 4.43Å; I78-N88 VanDerWaalsContact CG2-ND2 3.28Å; I78-N88 WeakPolarHBondContact CG2-ND2 3.23Å; I78-H127 HydrophobicContact CD1-CB 4.41Å; I78-F129 HydrophobicContact CD1-CE1 4.23Å; I78-F129 HydrophobicContact CD1-CZ 3.78Å; I78-F129 HydrophobicContact CG1-CE1 4.4Å; I78-F129 HydrophobicContact CG1-CZ 4.42Å
79	P	87.1	Confident	86	Confident	75 Å²	75	100.6 Å²	100.6	49%	0.487	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-59	149.6	172	-21.9	34	0	0	0	111.7	E81 N88	P79-E81 VanDerWaalsContact C-N 3.25Å; P79-E81 PolarHBondContact O-N 3.48Å; P79-N88 VanDerWaalsContact CD-OD1 3.22Å; P79-N88 WeakPolarHBondContact CD-OD1 3.2Å
80	S	84.3	Confident	86.8	Confident	133 Å²	133	100.6 Å²	100.6	93%	0.93	51%	0.509	S	S	*	.	S	Bend	trans	-66.2	-30.1	176.8	-54.1	0	0	0	0	112.7	N82	S80-N82 PolarHBondContact O-N 3.45Å
81	E	86.3	Confident	87.6	Confident	170 Å²	170	96.3 Å²	96.3	79%	0.794	48%	0.482	S	S	*	.			trans	-88.6	86.9	174.6	-65	-176.9	-177	0	0	109.5	P79	P79-E81 VanDerWaalsContact C-N 3.25Å; P79-E81 PolarHBondContact O-N 3.48Å
82	N	91	Very high	88.1	Confident	30 Å²	30	88.8 Å²	88.8	16%	0.16	45%	0.449	C	S	.	.			trans	-127.3	121.2	177.9	-178	-82.4	0	0	0	110.2	I78 S80 N88 H127 W128	I78-N82 HydrophobicContact CG2-CB 4.43Å; S80-N82 PolarHBondContact O-N 3.45Å; N82-N88 PolarHBondContact ND2-N 2.92Å; N82-N88 PolarHBondContact ND2-ND2 3.32Å; N82-N88 PolarHBondContact ND2-OD1 3.43Å; N82-N88 VanDerWaalsContact ND2-OD1 3.1Å; N82-H127 VanDerWaalsContact OD1-CA 3.29Å; N82-H127 WeakPolarHBondContact OD1-CA 3.41Å; N82-W128 PolarHBondContact ND2-O 3.3Å; N82-W128 PolarHBondContact OD1-N 2.79Å
83	S	93.6	Very high	88.6	Confident	45 Å²	45	89.8 Å²	89.8	32%	0.315	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-145.3	170.2	-179	73.3	0	0	0	0	110	L85 S86 P87 W128	S83-L85 PolarHBondContact O-N 3.05Å; S83-L85 PolarHBondContact OG-N 3.24Å; S83-S86 PolarHBondContact N-O 3.1Å; S83-S86 PolarHBondContact N-OG 2.85Å; S83-S86 CarbonylContact O-C 3.59Å; S83-S86 PolarHBondContact O-N 3.44Å; S83-S86 PolarHBondContact OG-N 2.93Å; S83-S86 PolarHBondContact OG-OG 2.83Å; S83-P87 WeakPolarHBondContact O-CA 3.47Å; S83-P87 VanDerWaalsContact O-N 3.1Å; S83-W128 VanDerWaalsContact C-CD1 3.48Å
84	E	94	Very high	89.2	Confident	121 Å²	121	87.9 Å²	87.9	57%	0.565	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.5	174	-172	176	-175.8	0	0	112.2	P120 W128	E84-P120 HydrophobicContact CG-CG 4.08Å; E84-W128 HydrophobicContact CB-CD2 3.92Å; E84-W128 HydrophobicContact CB-CE3 4.12Å; E84-W128 HydrophobicContact CB-CH2 3.99Å; E84-W128 HydrophobicContact CB-CZ2 3.83Å; E84-W128 HydrophobicContact CB-CZ3 4.14Å; E84-W128 HydrophobicContact CG-CD2 4.35Å; E84-W128 HydrophobicContact CG-CE3 4.02Å; E84-W128 HydrophobicContact CG-CH2 3.81Å; E84-W128 HydrophobicContact CG-CZ2 4.19Å; E84-W128 HydrophobicContact CG-CZ3 3.73Å
85	L	92.8	Very high	89.6	Confident	169 Å²	169	89.4 Å²	89.4	89%	0.885	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-26.2	176.5	-62.2	174.6	0	0	0	112.8	S83 P87	S83-L85 PolarHBondContact O-N 3.05Å; S83-L85 PolarHBondContact OG-N 3.24Å; L85-P87 VanDerWaalsContact C-CD 3.48Å
86	S	92.4	Very high	90.2	Very high	57 Å²	57	84.6 Å²	84.6	40%	0.399	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-131.3	66	-178.3	63.4	0	0	0	0	110.6	S83	S83-S86 PolarHBondContact N-O 3.1Å; S83-S86 PolarHBondContact N-OG 2.85Å; S83-S86 CarbonylContact O-C 3.59Å; S83-S86 PolarHBondContact O-N 3.44Å; S83-S86 PolarHBondContact OG-N 2.93Å; S83-S86 PolarHBondContact OG-OG 2.83Å
87	P	94.4	Very high	90.5	Very high	20 Å²	20	81.2 Å²	81.2	13%	0.13	41%	0.414	C	S	.	.			trans	-76.6	161.8	-176.5	31.8	-34.3	0	0	0	111.5	S83 L85 L89 P120 W128 Q130	S83-P87 WeakPolarHBondContact O-CA 3.47Å; S83-P87 VanDerWaalsContact O-N 3.1Å; L85-P87 VanDerWaalsContact C-CD 3.48Å; P87-L89 PolarHBondContact O-N 2.91Å; P87-P120 HydrophobicContact CB-CB 3.86Å; P87-P120 HydrophobicContact CG-CB 4Å; P87-W128 HydrophobicContact CB-CB 3.83Å; P87-Q130 HydrophobicContact CB-CB 4.12Å; P87-Q130 HydrophobicContact CG-CB 3.88Å
88	N	92.9	Very high	90.8	Very high	20 Å²	20	74.8 Å²	74.8	11%	0.107	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.6	172.2	-64.2	-42.9	0	0	0	109.8	I78 P79 N82 W128 F129 Q130	I78-N88 VanDerWaalsContact CG2-ND2 3.28Å; I78-N88 WeakPolarHBondContact CG2-ND2 3.23Å; P79-N88 VanDerWaalsContact CD-OD1 3.22Å; P79-N88 WeakPolarHBondContact CD-OD1 3.2Å; N82-N88 PolarHBondContact ND2-N 2.92Å; N82-N88 PolarHBondContact ND2-ND2 3.32Å; N82-N88 PolarHBondContact ND2-OD1 3.43Å; N82-N88 VanDerWaalsContact ND2-OD1 3.1Å; N88-W128 WeakPolarHBondContact CB-O 3.17Å; N88-W128 PolarHBondContact N-O 2.85Å; N88-W128 PolarHBondContact ND2-O 2.87Å; N88-W128 VanDerWaalsContact ND2-O 3.16Å; N88-F129 HydrophobicContact CB-CD1 3.57Å; N88-F129 HydrophobicContact CB-CE1 3.91Å; N88-F129 HydrophobicContact CB-CG 4.39Å; N88-F129 WeakPolarHBondContact ND2-CE1 3.48Å; N88-F129 CarbonylContact O-C 3.01Å; N88-F129 VanDerWaalsContact O-CA 3.31Å; N88-F129 WeakPolarHBondContact O-CA 3.49Å; N88-Q130 PolarHBondContact O-N 2.68Å
89	L	92.5	Very high	91	Very high	46 Å²	46	73 Å²	73	24%	0.241	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	130.2	179.1	-54.7	176.8	0	0	0	110.3	P87 Q130 V132 Y137 M140	P87-L89 PolarHBondContact O-N 2.91Å; L89-Q130 WeakPolarHBondContact CA-O 3.48Å; L89-Q130 HydrophobicContact CD2-CB 4.26Å; L89-V132 HydrophobicContact CB-CG2 4.08Å; L89-V132 HydrophobicContact CD2-CG1 3.99Å; L89-Y137 HydrophobicContact CB-CD2 3.89Å; L89-Y137 HydrophobicContact CB-CE2 4.24Å; L89-M140 HydrophobicContact CD1-CB 3.81Å; L89-M140 HydrophobicContact CD1-CG 4.19Å; L89-M140 HydrophobicContact CD1-SD 3.3Å; L89-M140 WeakPolarHBondContact CD1-SD 3.05Å; L89-M140 HydrophobicContact CD2-SD 4.35Å; L89-M140 HydrophobicContact CG-SD 4.45Å
90	I	92.4	Very high	91.3	Very high	22 Å²	22	71.1 Å²	71.1	11%	0.113	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.3	176.8	-63.2	-178.4	0	0	0	107.7	V99 L115 F129 Q130 L131 V132	I90-V99 HydrophobicContact CD1-CB 4.14Å; I90-V99 HydrophobicContact CD1-CG1 3.52Å; I90-V99 HydrophobicContact CD1-CG2 3.56Å; I90-V99 HydrophobicContact CG2-CG2 4.26Å; I90-L115 HydrophobicContact CD1-CD1 3.82Å; I90-F129 HydrophobicContact CD1-CB 4.32Å; I90-F129 HydrophobicContact CD1-CD1 3.76Å; I90-F129 HydrophobicContact CD1-CG 4.4Å; I90-Q130 PolarHBondContact N-O 2.7Å; I90-L131 HydrophobicContact CB-CD1 4.34Å; I90-L131 HydrophobicContact CG2-CD1 4.05Å; I90-L131 WeakPolarHBondContact O-CA 3.31Å; I90-L131 WeakPolarHBondContact O-CD1 3.33Å; I90-V132 PolarHBondContact O-N 2.81Å
91	P	89.1	Confident	91.8	Very high	15 Å²	15	65 Å²	65	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.2	179.3	29.9	-32.2	0	0	0	111.3	V132 Y134 Y137	P91-V132 CarbonylContact C-O 3.55Å; P91-V132 WeakPolarHBondContact CA-O 3.44Å; P91-Y134 HydrophobicContact CB-CD1 3.65Å; P91-Y134 HydrophobicContact CB-CE1 3.72Å; P91-Y134 HydrophobicContact CB-CG 4.19Å; P91-Y134 HydrophobicContact CG-CD1 4.35Å; P91-Y134 HydrophobicContact CG-CE1 4.06Å; P91-Y137 HydrophobicContact CB-CD1 4.31Å; P91-Y137 HydrophobicContact CB-CD2 4.25Å; P91-Y137 HydrophobicContact CB-CG 3.92Å; P91-Y137 HydrophobicContact CG-CD1 4.2Å; P91-Y137 HydrophobicContact CG-CD2 4.13Å; P91-Y137 HydrophobicContact CG-CE1 4.4Å; P91-Y137 HydrophobicContact CG-CE2 4.32Å; P91-Y137 HydrophobicContact CG-CG 4.07Å
92	S	88.6	Confident	92.2	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.042	32%	0.317	C	S	.	.			trans	-154.4	143.5	168.1	-169.8	0	0	0	0	112.3	S94 K117 V132	S92-S94 PolarHBondContact OG-N 2.64Å; S92-K117 WeakPolarHBondContact O-CE 3.39Å; S92-K117 PolarHBondContact O-NZ 3.49Å; S92-V132 PolarHBondContact N-O 2.82Å
93	Q	86.1	Confident	92.3	Very high	84 Å²	84	59.7 Å²	59.7	39%	0.393	32%	0.316	S	S	.	.	S	Bend	trans	-72	-36.4	168.7	-81.2	173.6	-30.8	0	0	111.5	D45 K117 Y134	D45-Q93 PolarHBondContact O-NE2 2.9Å; Q93-K117 PolarHBondContact O-NZ 3.4Å; Q93-Y134 HydrophobicContact CG-CD2 3.84Å; Q93-Y134 HydrophobicContact CG-CE2 3.83Å
94	S	89.8	Confident	92.2	Very high	72 Å²	72	63.5 Å²	63.5	50%	0.503	33%	0.329	S	S	.	.	S	Bend	trans	-71.9	154	-179.1	-56.5	0	0	0	0	112.4	S92 R96 K117	S92-S94 PolarHBondContact OG-N 2.64Å; S94-R96 WeakPolarHBondContact CB-O 3.49Å; S94-R96 PolarHBondContact O-N 2.91Å; S94-K117 WeakPolarHBondContact O-CE 3.25Å; S94-K117 PolarHBondContact O-NZ 3.16Å
95	H	92.2	Very high	91.9	Very high	148 Å²	148	63.4 Å²	63.4	69%	0.685	34%	0.339	S	S	*	.	S	Bend	trans	-69	-22.8	177.2	-69.8	-67.6	0	0	0	114	E116 K117	H95-E116 WeakPolarHBondContact O-CA 3.42Å; H95-K117 PolarHBondContact O-N 3.38Å
96	R	93.7	Very high	91.9	Very high	118 Å²	118	62.9 Å²	62.9	45%	0.445	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.1	-178.2	-48.7	175.6	84	-142.3	8.5	109.3	S94 E114 L115 E116	S94-R96 WeakPolarHBondContact CB-O 3.49Å; S94-R96 PolarHBondContact O-N 2.91Å; R96-E114 IonicContact CZ-OE1 3Å; R96-E114 IonicContact CZ-OE2 3.24Å; R96-E114 VanDerWaalsContact CZ-OE2 3.24Å; R96-E114 IonicContact NE-OE1 3.18Å; R96-E114 IonicContact NH1-OE1 2.63Å; R96-E114 PolarHBondContact NH1-OE1 2.76Å; R96-E114 IonicContact NH1-OE2 3.27Å; R96-E114 PolarHBondContact NH1-OE2 3.41Å; R96-E114 IonicContact NH2-OE1 3.41Å; R96-E114 PolarHBondContact NH2-OE1 3.05Å; R96-E114 IonicContact NH2-OE2 2.75Å; R96-E114 PolarHBondContact NH2-OE2 2.94Å; R96-L115 CarbonylContact C-O 3.54Å; R96-L115 WeakPolarHBondContact CA-O 3.25Å; R96-E116 HydrophobicContact CG-CG 4.02Å; R96-E116 IonicContact CZ-OE1 2.81Å; R96-E116 IonicContact NE-OE1 3.64Å; R96-E116 PolarHBondContact NE-OE1 2.88Å; R96-E116 IonicContact NH2-OE1 2.74Å; R96-E116 PolarHBondContact NH2-OE1 3.32Å
97	R	91.9	Very high	91.8	Very high	63 Å²	63	61.6 Å²	61.6	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	137.8	178.2	-173.8	177.4	-177.6	102.4	14.5	111.3	E72 V99 L115 L131	E72-R97 IonicContact OE1-CZ 3.2Å; E72-R97 IonicContact OE1-NH1 2.68Å; E72-R97 PolarHBondContact OE1-NH1 2.81Å; E72-R97 IonicContact OE1-NH2 3.3Å; E72-R97 PolarHBondContact OE1-NH2 2.74Å; E72-R97 IonicContact OE2-CZ 2.85Å; E72-R97 IonicContact OE2-NE 3.31Å; E72-R97 PolarHBondContact OE2-NE 2.85Å; E72-R97 IonicContact OE2-NH1 3.19Å; E72-R97 PolarHBondContact OE2-NH1 3.4Å; E72-R97 IonicContact OE2-NH2 2.87Å; E72-R97 PolarHBondContact OE2-NH2 3.36Å; R97-V99 HydrophobicContact CG-CG2 4.43Å; R97-L115 PolarHBondContact N-O 2.85Å; R97-L115 PolarHBondContact O-N 3.2Å; R97-L131 HydrophobicContact CB-CD1 3.67Å; R97-L131 HydrophobicContact CB-CD2 3.94Å; R97-L131 HydrophobicContact CG-CD1 4.49Å
98	M	93.2	Very high	91.8	Very high	103 Å²	103	69 Å²	69	51%	0.507	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.6	169.7	-68.5	-61.4	-64.7	0	0	110.8	W112 L113 E114	M98-W112 HydrophobicContact CE-CB 3.87Å; M98-L113 CarbonylContact C-O 3.51Å; M98-L113 WeakPolarHBondContact CA-O 3.14Å; M98-E114 HydrophobicContact SD-CB 3.69Å; M98-E114 HydrophobicContact SD-CG 4.01Å
99	V	93.2	Very high	91.8	Very high	16 Å²	16	71.2 Å²	71.2	10%	0.097	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.3	-179.5	175.7	0	0	0	0	109.3	I90 R97 W112 L113 L115	I90-V99 HydrophobicContact CD1-CB 4.14Å; I90-V99 HydrophobicContact CD1-CG1 3.52Å; I90-V99 HydrophobicContact CD1-CG2 3.56Å; I90-V99 HydrophobicContact CG2-CG2 4.26Å; R97-V99 HydrophobicContact CG-CG2 4.43Å; V99-W112 CarbonylContact O-C 3.59Å; V99-W112 WeakPolarHBondContact O-CA 3.47Å; V99-L113 PolarHBondContact N-O 3.04Å; V99-L113 PolarHBondContact O-N 2.78Å; V99-L115 HydrophobicContact CB-CD1 4.21Å; V99-L115 HydrophobicContact CB-CG 4.43Å; V99-L115 HydrophobicContact CG2-CD1 3.61Å; V99-L115 HydrophobicContact CG2-CG 4.05Å
100	G	93.9	Very high	91.9	Very high	36 Å²	36	72.9 Å²	72.9	37%	0.371	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.7	174.3	0	0	0	0	0	111.2
101	C	94.3	Very high	92	Very high	4 Å²	4	74 Å²	74	3%	0.027	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.1	172.5	-170.5	0	0	0	0	110.4	C103 N111 F129	C101-C103 PolarHBondContact SG-SG 2.68Å; C101-N111 PolarHBondContact N-O 2.88Å; C101-N111 PolarHBondContact O-N 2.86Å; C101-F129 HydrophobicContact CB-CE2 4.38Å; C101-F129 HydrophobicContact CB-CZ 4.26Å
102	I	94	Very high	92.3	Very high	67 Å²	67	81.3 Å²	81.3	34%	0.344	42%	0.421	S	S	.	.			trans	-93.1	104.8	166.2	-59.4	173.3	0	0	0	106	E104 A107 I110	I102-E104 WeakPolarHBondContact CG2-O 3.26Å; I102-A107 HydrophobicContact CG2-CB 4.43Å; I102-I110 HydrophobicContact CG1-CG1 4.24Å
103	C	92.7	Very high	92.6	Very high	21 Å²	21	82.4 Å²	82.4	14%	0.142	43%	0.426	C	S	.	.			trans	-83.6	-26.9	-167.5	-63.4	0	0	0	0	114.4	C101 Y124 C125	C101-C103 PolarHBondContact SG-SG 2.68Å; C103-Y124 HydrophobicContact CB-CE1 4.02Å; C103-Y124 HydrophobicContact CB-CE2 4.34Å; C103-Y124 WeakPolarHBondContact CB-OH 3.29Å; C103-Y124 WeakPolarHBondContact SG-CE1 3.43Å; C103-Y124 PolarHBondContact SG-OH 2.77Å; C103-C125 HydrophobicContact CB-CB 3.47Å; C103-C125 VanDerWaalsContact CB-CB 3.47Å; C103-C125 WeakPolarHBondContact SG-CB 3.36Å; C103-C125 PolarHBondContact SG-SG 3.3Å
104	E	91.1	Very high	93	Very high	125 Å²	125	82.8 Å²	82.8	58%	0.584	43%	0.428	S	S	*	.	S	Bend	trans	-125.9	142.1	174.4	-61.5	171.1	-176.4	0	0	107.7	I102 E106 A107	I102-E104 WeakPolarHBondContact CG2-O 3.26Å; E104-E106 PolarHBondContact O-N 2.75Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E104-A107 HydrophobicContact CB-CB 4.16Å; E104-A107 VanDerWaalsContact O-CB 3.32Å; E104-A107 WeakPolarHBondContact O-CB 3.49Å; E104-A107 PolarHBondContact O-N 3.27Å
105	P	88.8	Confident	93.3	Very high	120 Å²	120	79.4 Å²	79.4	78%	0.779	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.1	-175.9	-24.6	33.9	0	0	0	114.3
106	E	92.1	Very high	93.4	Very high	157 Å²	157	77.3 Å²	77.3	73%	0.734	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	6.3	180	-56.6	80.1	-173.7	0	0	113.7	E104 D108	E104-E106 PolarHBondContact O-N 2.75Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E106-D108 PolarHBondContact O-N 3.41Å
107	A	91.6	Very high	93.5	Very high	30 Å²	30	74.2 Å²	74.2	25%	0.248	39%	0.385	C	S	.	.			trans	-64.6	128.9	-178.1	0	0	0	0	0	112.1	I102 E104 S109	I102-A107 HydrophobicContact CG2-CB 4.43Å; E104-A107 HydrophobicContact CB-CB 4.16Å; E104-A107 VanDerWaalsContact O-CB 3.32Å; E104-A107 WeakPolarHBondContact O-CB 3.49Å; E104-A107 PolarHBondContact O-N 3.27Å; A107-S109 PolarHBondContact O-N 2.63Å
108	D	93.9	Very high	93.5	Very high	176 Å²	176	73.2 Å²	73.2	94%	0.941	39%	0.394	S	S	*	.	S	Bend	trans	-80.4	-1.1	173.2	-68.4	-39.7	0	0	0	113.3	E106	E106-D108 PolarHBondContact O-N 3.41Å
109	S	93.6	Very high	93.5	Very high	67 Å²	67	75 Å²	75	47%	0.469	41%	0.405	S	S	.	.			trans	-125.5	140.9	-177.3	64.2	0	0	0	0	111.8	A107	A107-S109 PolarHBondContact O-N 2.63Å
110	I	93.8	Very high	93.6	Very high	81 Å²	81	75.4 Å²	75.4	42%	0.415	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-103.5	131.2	175	-57.5	173.6	0	0	0	107.6	I102 W112	I102-I110 HydrophobicContact CG1-CG1 4.24Å; I110-W112 HydrophobicContact CB-CZ2 4.31Å; I110-W112 HydrophobicContact CD1-CZ2 4.27Å; I110-W112 HydrophobicContact CG2-CD2 4.19Å; I110-W112 HydrophobicContact CG2-CH2 4.37Å; I110-W112 HydrophobicContact CG2-CZ2 3.9Å
111	N	95.1	Very high	93.7	Very high	46 Å²	46	76.4 Å²	76.4	25%	0.246	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.6	177.8	-67.2	-83.2	0	0	0	109.8	C101 Y124	C101-N111 PolarHBondContact N-O 2.88Å; C101-N111 PolarHBondContact O-N 2.86Å; N111-Y124 HydrophobicContact CB-CD1 3.89Å; N111-Y124 HydrophobicContact CB-CE1 3.43Å; N111-Y124 VanDerWaalsContact CB-CE1 3.43Å; N111-Y124 WeakPolarHBondContact ND2-CE1 3.22Å; N111-Y124 PolarHBondContact ND2-OH 3.31Å; N111-Y124 WeakPolarHBondContact OD1-CE1 3.28Å
112	W	94.9	Very high	93.8	Very high	167 Å²	167	80.8 Å²	80.8	63%	0.633	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	129	-174.8	-62.5	98.6	0	0	0	110.2	M98 V99 I110	M98-W112 HydrophobicContact CE-CB 3.87Å; V99-W112 CarbonylContact O-C 3.59Å; V99-W112 WeakPolarHBondContact O-CA 3.47Å; I110-W112 HydrophobicContact CB-CZ2 4.31Å; I110-W112 HydrophobicContact CD1-CZ2 4.27Å; I110-W112 HydrophobicContact CG2-CD2 4.19Å; I110-W112 HydrophobicContact CG2-CH2 4.37Å; I110-W112 HydrophobicContact CG2-CZ2 3.9Å
113	L	94.7	Very high	93.9	Very high	29 Å²	29	77.8 Å²	77.8	15%	0.152	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.7	176.6	-59.1	166.8	0	0	0	107.7	M98 V99 L115 C123 F129	M98-L113 CarbonylContact C-O 3.51Å; M98-L113 WeakPolarHBondContact CA-O 3.14Å; V99-L113 PolarHBondContact N-O 3.04Å; V99-L113 PolarHBondContact O-N 2.78Å; L113-L115 HydrophobicContact CB-CD2 4.15Å; L113-C123 HydrophobicContact CD1-CB 3.76Å; L113-F129 HydrophobicContact CD1-CD2 3.76Å; L113-F129 HydrophobicContact CD1-CE2 4.03Å
114	E	94.3	Very high	93.8	Very high	92 Å²	92	83.3 Å²	83.3	43%	0.43	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.2	163.3	-171.7	166.6	-146.6	0	0	107.9	R96 M98	R96-E114 IonicContact CZ-OE1 3Å; R96-E114 IonicContact CZ-OE2 3.24Å; R96-E114 VanDerWaalsContact CZ-OE2 3.24Å; R96-E114 IonicContact NE-OE1 3.18Å; R96-E114 IonicContact NH1-OE1 2.63Å; R96-E114 PolarHBondContact NH1-OE1 2.76Å; R96-E114 IonicContact NH1-OE2 3.27Å; R96-E114 PolarHBondContact NH1-OE2 3.41Å; R96-E114 IonicContact NH2-OE1 3.41Å; R96-E114 PolarHBondContact NH2-OE1 3.05Å; R96-E114 IonicContact NH2-OE2 2.75Å; R96-E114 PolarHBondContact NH2-OE2 2.94Å; M98-E114 HydrophobicContact SD-CB 3.69Å; M98-E114 HydrophobicContact SD-CG 4.01Å
115	L	95.6	Very high	93.9	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.005	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141	175.9	-56.6	-175.3	0	0	0	109.6	I90 R96 R97 V99 L113 V121 F129 L131	I90-L115 HydrophobicContact CD1-CD1 3.82Å; R96-L115 CarbonylContact C-O 3.54Å; R96-L115 WeakPolarHBondContact CA-O 3.25Å; R97-L115 PolarHBondContact N-O 2.85Å; R97-L115 PolarHBondContact O-N 3.2Å; V99-L115 HydrophobicContact CB-CD1 4.21Å; V99-L115 HydrophobicContact CB-CG 4.43Å; V99-L115 HydrophobicContact CG2-CD1 3.61Å; V99-L115 HydrophobicContact CG2-CG 4.05Å; L113-L115 HydrophobicContact CB-CD2 4.15Å; L115-V121 HydrophobicContact CD2-CB 3.75Å; L115-V121 HydrophobicContact CD2-CG1 4.29Å; L115-V121 HydrophobicContact CD2-CG2 4.11Å; L115-F129 HydrophobicContact CD1-CB 3.71Å; L115-F129 HydrophobicContact CD2-CB 4.16Å; L115-L131 HydrophobicContact CB-CB 3.98Å; L115-L131 HydrophobicContact CB-CD2 4.43Å
116	E	95.6	Very high	94.2	Very high	104 Å²	104	75.2 Å²	75.2	49%	0.486	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.3	170	-51.9	-167.2	162.6	0	0	109.1	H95 R96 G118	H95-E116 WeakPolarHBondContact O-CA 3.42Å; R96-E116 HydrophobicContact CG-CG 4.02Å; R96-E116 IonicContact CZ-OE1 2.81Å; R96-E116 IonicContact NE-OE1 3.64Å; R96-E116 PolarHBondContact NE-OE1 2.88Å; R96-E116 IonicContact NH2-OE1 2.74Å; R96-E116 PolarHBondContact NH2-OE1 3.32Å; E116-G118 PolarHBondContact O-N 2.87Å
117	K	94.5	Very high	94.3	Very high	54 Å²	54	70.4 Å²	70.4	24%	0.235	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-61.8	130.5	172.4	-74	-175.4	174.2	168.9	0	109.4	S92 Q93 S94 H95 L131 N133	S92-K117 WeakPolarHBondContact O-CE 3.39Å; S92-K117 PolarHBondContact O-NZ 3.49Å; Q93-K117 PolarHBondContact O-NZ 3.4Å; S94-K117 WeakPolarHBondContact O-CE 3.25Å; S94-K117 PolarHBondContact O-NZ 3.16Å; H95-K117 PolarHBondContact O-N 3.38Å; K117-L131 HydrophobicContact CG-CB 4.42Å; K117-L131 HydrophobicContact CG-CD2 3.97Å; K117-L131 HydrophobicContact CG-CG 4.07Å; K117-N133 VanDerWaalsContact CE-OD1 3.28Å; K117-N133 WeakPolarHBondContact CE-OD1 3.41Å; K117-N133 PolarHBondContact NZ-OD1 3.01Å
118	G	91.9	Very high	94.5	Very high	41 Å²	41	71 Å²	71	42%	0.423	37%	0.368	S	S	.	.	S	Bend	trans	130.4	-134.2	-172.7	0	0	0	0	0	109.6	E116 Q130	E116-G118 PolarHBondContact O-N 2.87Å; G118-Q130 WeakPolarHBondContact O-CG 2.91Å; G118-Q130 PolarHBondContact O-NE2 2.83Å
119	N	93.4	Very high	94.6	Very high	140 Å²	140	63.3 Å²	63.3	75%	0.749	33%	0.326	S	S	*	.	S	Bend	trans	-63.7	149	-170.9	-62.6	-28.4	0	0	0	113.5
120	P	95.9	Very high	94.7	Very high	26 Å²	26	62.3 Å²	62.3	17%	0.169	32%	0.315	C	S	.	.			trans	-66.5	146.3	173.6	30.6	-35.5	0	0	0	110.9	E84 P87 W128 F129 Q130	E84-P120 HydrophobicContact CG-CG 4.08Å; P87-P120 HydrophobicContact CB-CB 3.86Å; P87-P120 HydrophobicContact CG-CB 4Å; P120-W128 HydrophobicContact CB-CE3 4.04Å; P120-W128 HydrophobicContact CG-CE3 4.3Å; P120-F129 CarbonylContact C-O 3.59Å; P120-F129 VanDerWaalsContact CA-O 3.26Å; P120-F129 WeakPolarHBondContact CA-O 3.42Å; P120-Q130 HydrophobicContact CB-CB 4.1Å; P120-Q130 HydrophobicContact CB-CG 4.38Å
121	V	96.4	Very high	94.8	Very high	56 Å²	56	58.7 Å²	58.7	34%	0.339	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	178.6	178.5	0	0	0	0	109	L115 F129	L115-V121 HydrophobicContact CD2-CB 3.75Å; L115-V121 HydrophobicContact CD2-CG1 4.29Å; L115-V121 HydrophobicContact CD2-CG2 4.11Å; V121-F129 PolarHBondContact N-O 3.07Å; V121-F129 PolarHBondContact O-N 2.92Å
122	Q	96.1	Very high	94.7	Very high	97 Å²	97	57.3 Å²	57.3	45%	0.453	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.8	176.6	-157.7	-175.8	28.9	0	0	111.2	G126 W128	Q122-G126 PolarHBondContact NE2-O 3.02Å; Q122-G126 VanDerWaalsContact NE2-O 3.16Å; Q122-W128 HydrophobicContact CB-CD2 3.85Å; Q122-W128 HydrophobicContact CB-CE3 3.83Å; Q122-W128 HydrophobicContact CB-CH2 3.92Å; Q122-W128 HydrophobicContact CB-CZ2 3.89Å; Q122-W128 HydrophobicContact CB-CZ3 3.88Å; Q122-W128 HydrophobicContact CG-CD2 3.89Å; Q122-W128 HydrophobicContact CG-CE3 4.39Å; Q122-W128 HydrophobicContact CG-CG 4.29Å; Q122-W128 HydrophobicContact CG-CH2 4.42Å; Q122-W128 HydrophobicContact CG-CZ2 3.88Å
123	C	95.9	Very high	94.5	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.02	28%	0.276	C	S	.	.			trans	-78.7	159.7	165.5	-168	0	0	0	0	110.7	L113 C125 G126 H127 F129	L113-C123 HydrophobicContact CD1-CB 3.76Å; C123-C125 PolarHBondContact O-N 3.19Å; C123-C125 VanDerWaalsContact SG-SG 3.64Å; C123-G126 PolarHBondContact O-N 2.68Å; C123-H127 WeakPolarHBondContact CB-O 3.43Å; C123-H127 PolarHBondContact N-O 3.16Å; C123-F129 HydrophobicContact CB-CD2 4.34Å; C123-F129 HydrophobicContact CB-CE2 3.82Å
124	Y	91	Very high	94	Very high	138 Å²	138	52.5 Å²	52.5	54%	0.541	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.2	177.6	78.2	-78.9	0	0	0	113.8	C103 N111 G126	C103-Y124 HydrophobicContact CB-CE1 4.02Å; C103-Y124 HydrophobicContact CB-CE2 4.34Å; C103-Y124 WeakPolarHBondContact CB-OH 3.29Å; C103-Y124 WeakPolarHBondContact SG-CE1 3.43Å; C103-Y124 PolarHBondContact SG-OH 2.77Å; N111-Y124 HydrophobicContact CB-CD1 3.89Å; N111-Y124 HydrophobicContact CB-CE1 3.43Å; N111-Y124 VanDerWaalsContact CB-CE1 3.43Å; N111-Y124 WeakPolarHBondContact ND2-CE1 3.22Å; N111-Y124 PolarHBondContact ND2-OH 3.31Å; N111-Y124 WeakPolarHBondContact OD1-CE1 3.28Å; Y124-G126 PolarHBondContact O-N 2.98Å
125	C	93.2	Very high	93.6	Very high	44 Å²	44	53.7 Å²	53.7	30%	0.297	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.6	176.1	62	0	0	0	0	114.2	C103 C123 H127	C103-C125 HydrophobicContact CB-CB 3.47Å; C103-C125 VanDerWaalsContact CB-CB 3.47Å; C103-C125 WeakPolarHBondContact SG-CB 3.36Å; C103-C125 PolarHBondContact SG-SG 3.3Å; C123-C125 PolarHBondContact O-N 3.19Å; C123-C125 VanDerWaalsContact SG-SG 3.64Å; C125-H127 PolarHBondContact SG-ND1 3.06Å
126	G	93.8	Very high	93.3	Very high	30 Å²	30	56.7 Å²	56.7	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	96	-13	180	0	0	0	0	0	114.6	Q122 C123 Y124 W128	Q122-G126 PolarHBondContact NE2-O 3.02Å; Q122-G126 VanDerWaalsContact NE2-O 3.16Å; C123-G126 PolarHBondContact O-N 2.68Å; Y124-G126 PolarHBondContact O-N 2.98Å; G126-W128 VanDerWaalsContact O-CD1 3.24Å; G126-W128 PolarHBondContact O-NE1 3.4Å
127	H	94.7	Very high	92.9	Very high	56 Å²	56	54.6 Å²	54.6	26%	0.259	28%	0.284	S	S	.	.			trans	-72.3	138.2	176.4	-59.6	115.8	0	0	0	112	I78 N82 C123 C125 F129	I78-H127 HydrophobicContact CD1-CB 4.41Å; N82-H127 VanDerWaalsContact OD1-CA 3.29Å; N82-H127 WeakPolarHBondContact OD1-CA 3.41Å; C123-H127 WeakPolarHBondContact CB-O 3.43Å; C123-H127 PolarHBondContact N-O 3.16Å; C125-H127 PolarHBondContact SG-ND1 3.06Å; H127-F129 HydrophobicContact CB-CE2 3.86Å; H127-F129 HydrophobicContact CB-CZ 4.03Å
128	W	96.3	Very high	92.4	Very high	44 Å²	44	54.5 Å²	54.5	17%	0.167	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.5	-179.7	-66.2	85	0	0	0	111.3	N82 S83 E84 P87 N88 P120 Q122 G126	N82-W128 PolarHBondContact ND2-O 3.3Å; N82-W128 PolarHBondContact OD1-N 2.79Å; S83-W128 VanDerWaalsContact C-CD1 3.48Å; E84-W128 HydrophobicContact CB-CD2 3.92Å; E84-W128 HydrophobicContact CB-CE3 4.12Å; E84-W128 HydrophobicContact CB-CH2 3.99Å; E84-W128 HydrophobicContact CB-CZ2 3.83Å; E84-W128 HydrophobicContact CB-CZ3 4.14Å; E84-W128 HydrophobicContact CG-CD2 4.35Å; E84-W128 HydrophobicContact CG-CE3 4.02Å; E84-W128 HydrophobicContact CG-CH2 3.81Å; E84-W128 HydrophobicContact CG-CZ2 4.19Å; E84-W128 HydrophobicContact CG-CZ3 3.73Å; P87-W128 HydrophobicContact CB-CB 3.83Å; N88-W128 WeakPolarHBondContact CB-O 3.17Å; N88-W128 PolarHBondContact N-O 2.85Å; N88-W128 PolarHBondContact ND2-O 2.87Å; N88-W128 VanDerWaalsContact ND2-O 3.16Å; P120-W128 HydrophobicContact CB-CE3 4.04Å; P120-W128 HydrophobicContact CG-CE3 4.3Å; Q122-W128 HydrophobicContact CB-CD2 3.85Å; Q122-W128 HydrophobicContact CB-CE3 3.83Å; Q122-W128 HydrophobicContact CB-CH2 3.92Å; Q122-W128 HydrophobicContact CB-CZ2 3.89Å; Q122-W128 HydrophobicContact CB-CZ3 3.88Å; Q122-W128 HydrophobicContact CG-CD2 3.89Å; Q122-W128 HydrophobicContact CG-CE3 4.39Å; Q122-W128 HydrophobicContact CG-CG 4.29Å; Q122-W128 HydrophobicContact CG-CH2 4.42Å; Q122-W128 HydrophobicContact CG-CZ2 3.88Å; G126-W128 VanDerWaalsContact O-CD1 3.24Å; G126-W128 PolarHBondContact O-NE1 3.4Å
129	F	96	Very high	92.1	Very high	13 Å²	13	57.7 Å²	57.7	6%	0.057	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.6	179.4	-59.2	-86.4	0	0	0	110.3	I78 N88 I90 C101 L113 L115 P120 V121 C123 H127	I78-F129 HydrophobicContact CD1-CE1 4.23Å; I78-F129 HydrophobicContact CD1-CZ 3.78Å; I78-F129 HydrophobicContact CG1-CE1 4.4Å; I78-F129 HydrophobicContact CG1-CZ 4.42Å; N88-F129 HydrophobicContact CB-CD1 3.57Å; N88-F129 HydrophobicContact CB-CE1 3.91Å; N88-F129 HydrophobicContact CB-CG 4.39Å; N88-F129 WeakPolarHBondContact ND2-CE1 3.48Å; N88-F129 CarbonylContact O-C 3.01Å; N88-F129 VanDerWaalsContact O-CA 3.31Å; N88-F129 WeakPolarHBondContact O-CA 3.49Å; I90-F129 HydrophobicContact CD1-CB 4.32Å; I90-F129 HydrophobicContact CD1-CD1 3.76Å; I90-F129 HydrophobicContact CD1-CG 4.4Å; C101-F129 HydrophobicContact CB-CE2 4.38Å; C101-F129 HydrophobicContact CB-CZ 4.26Å; L113-F129 HydrophobicContact CD1-CD2 3.76Å; L113-F129 HydrophobicContact CD1-CE2 4.03Å; L115-F129 HydrophobicContact CD1-CB 3.71Å; L115-F129 HydrophobicContact CD2-CB 4.16Å; P120-F129 CarbonylContact C-O 3.59Å; P120-F129 VanDerWaalsContact CA-O 3.26Å; P120-F129 WeakPolarHBondContact CA-O 3.42Å; V121-F129 PolarHBondContact N-O 3.07Å; V121-F129 PolarHBondContact O-N 2.92Å; C123-F129 HydrophobicContact CB-CD2 4.34Å; C123-F129 HydrophobicContact CB-CE2 3.82Å; H127-F129 HydrophobicContact CB-CE2 3.86Å; H127-F129 HydrophobicContact CB-CZ 4.03Å
130	Q	95.3	Very high	91.6	Very high	47 Å²	47	55.8 Å²	55.8	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.3	176.9	-166.8	158.5	3.8	0	0	111	P87 N88 L89 I90 G118 P120 V132	P87-Q130 HydrophobicContact CB-CB 4.12Å; P87-Q130 HydrophobicContact CG-CB 3.88Å; N88-Q130 PolarHBondContact O-N 2.68Å; L89-Q130 WeakPolarHBondContact CA-O 3.48Å; L89-Q130 HydrophobicContact CD2-CB 4.26Å; I90-Q130 PolarHBondContact N-O 2.7Å; G118-Q130 WeakPolarHBondContact O-CG 2.91Å; G118-Q130 PolarHBondContact O-NE2 2.83Å; P120-Q130 HydrophobicContact CB-CB 4.1Å; P120-Q130 HydrophobicContact CB-CG 4.38Å; Q130-V132 HydrophobicContact CG-CG1 4.39Å
131	L	95.2	Very high	90.6	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.3	178.4	-166.3	67.6	0	0	0	109.7	I90 R97 L115 K117	I90-L131 HydrophobicContact CB-CD1 4.34Å; I90-L131 HydrophobicContact CG2-CD1 4.05Å; I90-L131 WeakPolarHBondContact O-CA 3.31Å; I90-L131 WeakPolarHBondContact O-CD1 3.33Å; R97-L131 HydrophobicContact CB-CD1 3.67Å; R97-L131 HydrophobicContact CB-CD2 3.94Å; R97-L131 HydrophobicContact CG-CD1 4.49Å; L115-L131 HydrophobicContact CB-CB 3.98Å; L115-L131 HydrophobicContact CB-CD2 4.43Å; K117-L131 HydrophobicContact CG-CB 4.42Å; K117-L131 HydrophobicContact CG-CD2 3.97Å; K117-L131 HydrophobicContact CG-CG 4.07Å
132	V	93.7	Very high	89.3	Confident	17 Å²	17	60.4 Å²	60.4	10%	0.103	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	164.8	-177.3	-64.3	0	0	0	0	111.7	L89 I90 P91 S92 Q130 D136 Y137	L89-V132 HydrophobicContact CB-CG2 4.08Å; L89-V132 HydrophobicContact CD2-CG1 3.99Å; I90-V132 PolarHBondContact O-N 2.81Å; P91-V132 CarbonylContact C-O 3.55Å; P91-V132 WeakPolarHBondContact CA-O 3.44Å; S92-V132 PolarHBondContact N-O 2.82Å; Q130-V132 HydrophobicContact CG-CG1 4.39Å; V132-D136 HydrophobicContact CB-CB 4.25Å; V132-Y137 HydrophobicContact CG2-CD2 4.39Å
133	N	91	Very high	87.3	Confident	66 Å²	66	66.1 Å²	66.1	35%	0.353	33%	0.329	S	S	.	.			trans	-72.9	159.5	170.4	-56.7	-61.6	0	0	0	110.4	K117 E135 D136 Y137	K117-N133 VanDerWaalsContact CE-OD1 3.28Å; K117-N133 WeakPolarHBondContact CE-OD1 3.41Å; K117-N133 PolarHBondContact NZ-OD1 3.01Å; N133-E135 VanDerWaalsContact C-N 3.29Å; N133-E135 PolarHBondContact O-N 3.36Å; N133-D136 PolarHBondContact ND2-OD2 3.13Å; N133-D136 VanDerWaalsContact ND2-OD2 3.08Å; N133-D136 PolarHBondContact O-N 2.71Å; N133-Y137 PolarHBondContact O-N 3.32Å
134	Y	84.9	Confident	86.9	Confident	30 Å²	30	69.3 Å²	69.3	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-41.2	175.5	-78.4	-79.7	0	0	0	112.3	F46 L48 P91 Q93 D136 Y137 F138	F46-Y134 HydrophobicContact CE2-CE1 4.21Å; L48-Y134 HydrophobicContact CD1-CG 4.35Å; P91-Y134 HydrophobicContact CB-CD1 3.65Å; P91-Y134 HydrophobicContact CB-CE1 3.72Å; P91-Y134 HydrophobicContact CB-CG 4.19Å; P91-Y134 HydrophobicContact CG-CD1 4.35Å; P91-Y134 HydrophobicContact CG-CE1 4.06Å; Q93-Y134 HydrophobicContact CG-CD2 3.84Å; Q93-Y134 HydrophobicContact CG-CE2 3.83Å; Y134-D136 PolarHBondContact O-N 3.24Å; Y134-Y137 PolarHBondContact O-N 3.46Å; Y134-F138 AromaticContact CD1-CE2 3.98Å; Y134-F138 HydrophobicContact CD1-CE2 3.98Å; Y134-F138 WeakPolarHBondContact O-CD2 3.49Å; Y134-F138 PolarHBondContact O-N 2.94Å
135	E	85.7	Confident	86.7	Confident	116 Å²	116	65.6 Å²	65.6	54%	0.542	33%	0.334	S	S	.	.	H	α-helix	trans	-55.8	-50.1	177.3	-66.1	170	-153.1	0	0	111.5	N133 Y137 F138 N139	N133-E135 VanDerWaalsContact C-N 3.29Å; N133-E135 PolarHBondContact O-N 3.36Å; E135-Y137 PolarHBondContact O-N 3.38Å; E135-F138 PolarHBondContact O-N 3.24Å; E135-N139 WeakPolarHBondContact O-CB 3.08Å; E135-N139 PolarHBondContact O-N 3.25Å; E135-N139 PolarHBondContact O-ND2 3.15Å; E135-N139 VanDerWaalsContact O-ND2 3.16Å
136	D	88.7	Confident	86.3	Confident	65 Å²	65	66.8 Å²	66.8	35%	0.348	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-42.8	178.9	-58.5	-42.3	0	0	0	111.6	V132 N133 Y134 F138 N139 M140	V132-D136 HydrophobicContact CB-CB 4.25Å; N133-D136 PolarHBondContact ND2-OD2 3.13Å; N133-D136 VanDerWaalsContact ND2-OD2 3.08Å; N133-D136 PolarHBondContact O-N 2.71Å; Y134-D136 PolarHBondContact O-N 3.24Å; D136-F138 PolarHBondContact O-N 2.99Å; D136-N139 PolarHBondContact O-N 3.02Å; D136-M140 WeakPolarHBondContact O-CB 3.02Å; D136-M140 VanDerWaalsContact O-CG 3.3Å; D136-M140 WeakPolarHBondContact O-CG 3.44Å; D136-M140 PolarHBondContact O-N 2.85Å
137	Y	88.1	Confident	85.9	Confident	59 Å²	59	69 Å²	69	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-45.6	177.8	-179	-95.3	0	0	0	112.3	L89 P91 V132 N133 Y134 E135 M140 T141	L89-Y137 HydrophobicContact CB-CD2 3.89Å; L89-Y137 HydrophobicContact CB-CE2 4.24Å; P91-Y137 HydrophobicContact CB-CD1 4.31Å; P91-Y137 HydrophobicContact CB-CD2 4.25Å; P91-Y137 HydrophobicContact CB-CG 3.92Å; P91-Y137 HydrophobicContact CG-CD1 4.2Å; P91-Y137 HydrophobicContact CG-CD2 4.13Å; P91-Y137 HydrophobicContact CG-CE1 4.4Å; P91-Y137 HydrophobicContact CG-CE2 4.32Å; P91-Y137 HydrophobicContact CG-CG 4.07Å; V132-Y137 HydrophobicContact CG2-CD2 4.39Å; N133-Y137 PolarHBondContact O-N 3.32Å; Y134-Y137 PolarHBondContact O-N 3.46Å; E135-Y137 PolarHBondContact O-N 3.38Å; Y137-M140 PolarHBondContact O-N 3.11Å; Y137-T141 HydrophobicContact CD1-CG2 4.35Å; Y137-T141 HydrophobicContact CD2-CG2 4.43Å; Y137-T141 HydrophobicContact CE1-CG2 3.99Å; Y137-T141 HydrophobicContact CE2-CG2 4.08Å; Y137-T141 WeakPolarHBondContact O-CB 2.95Å; Y137-T141 VanDerWaalsContact O-CG2 3.32Å; Y137-T141 WeakPolarHBondContact O-CG2 3.42Å; Y137-T141 PolarHBondContact O-N 3.36Å; Y137-T141 PolarHBondContact O-OG1 3.4Å
138	F	82.6	Confident	85.3	Confident	53 Å²	53	69.8 Å²	69.8	23%	0.232	34%	0.343	C	S	.	.	H	α-helix	trans	-70.7	-34.8	178.3	-71.7	-63.3	0	0	0	112.6	L48 Y134 E135 D136 M140 T141 N142	L48-F138 HydrophobicContact CD1-CD2 3.41Å; L48-F138 VanDerWaalsContact CD1-CD2 3.41Å; L48-F138 HydrophobicContact CD1-CE2 3.25Å; L48-F138 HydrophobicContact CD1-CZ 4.43Å; Y134-F138 AromaticContact CD1-CE2 3.98Å; Y134-F138 HydrophobicContact CD1-CE2 3.98Å; Y134-F138 WeakPolarHBondContact O-CD2 3.49Å; Y134-F138 PolarHBondContact O-N 2.94Å; E135-F138 PolarHBondContact O-N 3.24Å; D136-F138 PolarHBondContact O-N 2.99Å; F138-M140 VanDerWaalsContact C-N 3.29Å; F138-M140 PolarHBondContact O-N 2.8Å; F138-T141 WeakPolarHBondContact CA-OG1 3.32Å; F138-T141 PolarHBondContact O-OG1 3.05Å; F138-N142 WeakPolarHBondContact O-CB 3.2Å; F138-N142 PolarHBondContact O-N 3.36Å; F138-N142 PolarHBondContact O-ND2 3.32Å
139	N	85.4	Confident	84.6	Confident	108 Å²	108	71.5 Å²	71.5	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-67.1	-30.8	175.7	-70.5	-25.1	0	0	0	112.6	E135 D136 Q143	E135-N139 WeakPolarHBondContact O-CB 3.08Å; E135-N139 PolarHBondContact O-N 3.25Å; E135-N139 PolarHBondContact O-ND2 3.15Å; E135-N139 VanDerWaalsContact O-ND2 3.16Å; D136-N139 PolarHBondContact O-N 3.02Å; N139-Q143 WeakPolarHBondContact O-CG 3.47Å; N139-Q143 PolarHBondContact O-NE2 3.2Å; N139-Q143 VanDerWaalsContact O-NE2 3.16Å
140	M	82.7	Confident	83.8	Confident	99 Å²	99	75.7 Å²	75.7	49%	0.488	38%	0.375	S	S	.	.	H	α-helix	trans	-85.3	-30.1	178.6	-69.7	176.7	171.9	0	0	113.2	L89 D136 Y137 F138	L89-M140 HydrophobicContact CD1-CB 3.81Å; L89-M140 HydrophobicContact CD1-CG 4.19Å; L89-M140 HydrophobicContact CD1-SD 3.3Å; L89-M140 WeakPolarHBondContact CD1-SD 3.05Å; L89-M140 HydrophobicContact CD2-SD 4.35Å; L89-M140 HydrophobicContact CG-SD 4.45Å; D136-M140 WeakPolarHBondContact O-CB 3.02Å; D136-M140 VanDerWaalsContact O-CG 3.3Å; D136-M140 WeakPolarHBondContact O-CG 3.44Å; D136-M140 PolarHBondContact O-N 2.85Å; Y137-M140 PolarHBondContact O-N 3.11Å; F138-M140 VanDerWaalsContact C-N 3.29Å; F138-M140 PolarHBondContact O-N 2.8Å
141	T	76.5	Confident	82.9	Confident	66 Å²	66	77.9 Å²	77.9	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-85.6	-20	-178.5	49.2	0	0	0	0	114.5	Y137 F138 Q143	Y137-T141 HydrophobicContact CD1-CG2 4.35Å; Y137-T141 HydrophobicContact CD2-CG2 4.43Å; Y137-T141 HydrophobicContact CE1-CG2 3.99Å; Y137-T141 HydrophobicContact CE2-CG2 4.08Å; Y137-T141 WeakPolarHBondContact O-CB 2.95Å; Y137-T141 VanDerWaalsContact O-CG2 3.32Å; Y137-T141 WeakPolarHBondContact O-CG2 3.42Å; Y137-T141 PolarHBondContact O-N 3.36Å; Y137-T141 PolarHBondContact O-OG1 3.4Å; F138-T141 WeakPolarHBondContact CA-OG1 3.32Å; F138-T141 PolarHBondContact O-OG1 3.05Å; T141-Q143 VanDerWaalsContact C-N 3.34Å
142	N	69.4	Low	81.9	Confident	114 Å²	114	84.1 Å²	84.1	61%	0.61	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	11.5	176.1	-66.4	-54.2	0	0	0	113.5	F138	F138-N142 WeakPolarHBondContact O-CB 3.2Å; F138-N142 PolarHBondContact O-N 3.36Å; F138-N142 PolarHBondContact O-ND2 3.32Å
143	Q	53.6	Low	80.8	Confident	216 Å²	216	90.2 Å²	90.2	100%	1.009	45%	0.447	S	S	*	.			trans	-86.3	0	170	-68.8	176.7	14	0	0	110.2	N139 T141	N139-Q143 WeakPolarHBondContact O-CG 3.47Å; N139-Q143 PolarHBondContact O-NE2 3.2Å; N139-Q143 VanDerWaalsContact O-NE2 3.16Å; T141-Q143 VanDerWaalsContact C-N 3.34Å

Retrieved 143 of 143 residues in 84.5 ms (Link to these results)

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