G4LZ86_SCHMA Loading...

Axonemal dynein light chain, putative

AlphaFold DB , UniProt , Accession G4LZ86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 131 aa.

						>G4LZ86_SCHMA|G4LZ86
MEFSKQMPNSEENSNSYIIKPRFDQKFRPWAVRNIISQLLKERLETEVYSPENTHEQCISLADEIKRLLRKSLSLRRYRYLIQVIIGEKKGQGVNMARRCYWDSDNDNCADASFVNDSLFCVASVFGVYTY
					

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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	42.2	Very low	45.6	Very low	227 Å²	227	160.6 Å²	160.6	100%	1.118	82%	0.82	S	S	*	*				0	94.5	0	-90.3	178.6	178.2	0	0	107.4	F3	M1-F3 PolarHBondContact O-N 2.81Å
2	E	39.9	Very low	45.5	Very low	189 Å²	189	161.6 Å²	161.6	88%	0.883	82%	0.819	S	S	*	*			trans	-74.5	98.5	173	-71.1	-178	142.5	0	0	108.4	S4	E2-S4 PolarHBondContact O-N 2.82Å
3	F	44.3	Very low	46	Very low	191 Å²	191	158.5 Å²	158.5	84%	0.838	81%	0.806	S	S	*	*			trans	-85.4	77.1	165	-107.1	-94.2	0	0	0	107.7	M1 K5	M1-F3 PolarHBondContact O-N 2.81Å; F3-K5 PolarHBondContact O-N 3.02Å
4	S	45.3	Very low	46.4	Very low	103 Å²	103	154.5 Å²	154.5	72%	0.72	80%	0.8	S	S	*	*			trans	-61.5	93.1	163.4	-75.5	0	0	0	0	107.8	E2 Q6	E2-S4 PolarHBondContact O-N 2.82Å; S4-Q6 VanDerWaalsContact C-N 3.31Å; S4-Q6 PolarHBondContact O-N 3.35Å
5	K	52.6	Low	47	Very low	185 Å²	185	151 Å²	151	80%	0.804	78%	0.783	S	S	*	*			trans	-65.7	94.6	172.3	-160.5	176.3	-172.2	-177.7	0	106.6	F3 M7	F3-K5 PolarHBondContact O-N 3.02Å; K5-M7 PolarHBondContact O-N 3.42Å
6	Q	41.7	Very low	48.4	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	76%	0.76	S	S	*	*			trans	-53.6	114.5	166.2	-84.3	173.9	-21.7	0	0	106.9	S4	S4-Q6 VanDerWaalsContact C-N 3.31Å; S4-Q6 PolarHBondContact O-N 3.35Å
7	M	44.2	Very low	50	Low	158 Å²	158	148.2 Å²	148.2	78%	0.778	76%	0.76	S	S	*	*			trans	-58.2	124.5	168.3	-69	-69.2	168.1	0	0	106.2	K5 N9	K5-M7 PolarHBondContact O-N 3.42Å; M7-N9 PolarHBondContact O-N 3.23Å
8	P	43.9	Very low	51.7	Low	110 Å²	110	142.9 Å²	142.9	71%	0.714	73%	0.733	S	S	*	*			trans	-57.5	132.9	174.3	24.8	-31.2	0	0	0	107.1	S10	P8-S10 PolarHBondContact O-N 2.86Å
9	N	47.2	Very low	53.5	Low	139 Å²	139	141.6 Å²	141.6	74%	0.743	73%	0.727	S	S	*	*			trans	-55.6	89.7	171.2	-94.4	-15.3	0	0	0	108.1	M7 E11	M7-N9 PolarHBondContact O-N 3.23Å; N9-E11 PolarHBondContact O-N 3.35Å
10	S	49.6	Very low	55.3	Low	108 Å²	108	140.8 Å²	140.8	76%	0.755	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	32.2	173.6	63.9	0	0	0	0	111.1	P8 E12	P8-S10 PolarHBondContact O-N 2.86Å; S10-E12 PolarHBondContact O-N 3.43Å
11	E	50.4	Low	56.9	Low	177 Å²	177	135.1 Å²	135.1	83%	0.827	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	1	158.1	-68.4	-169.7	165	0	0	111.1	N9 N13	N9-E11 PolarHBondContact O-N 3.35Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 2.82Å
12	E	45.1	Very low	59.2	Low	172 Å²	172	132.8 Å²	132.8	80%	0.804	67%	0.669	S	S	*	*	S	Bend	trans	-62.4	93	166.3	-74.4	-171.9	169.3	0	0	110.5	S10	S10-E12 PolarHBondContact O-N 3.43Å
13	N	52.2	Low	61.5	Low	121 Å²	121	132 Å²	132	65%	0.647	66%	0.662	S	S	*	*			trans	64	65.2	155.6	-150	23.4	0	0	0	113.5	E11 N15	E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 2.82Å; N13-N15 PolarHBondContact ND2-OD1 3.21Å; N13-N15 PolarHBondContact O-N 3.25Å
14	S	51.6	Low	63.6	Low	103 Å²	103	127.5 Å²	127.5	72%	0.72	65%	0.647	S	S	*	*			trans	-58.5	92.7	155.4	65.5	0	0	0	0	107.2	S16	S14-S16 PolarHBondContact O-N 3.07Å
15	N	55.3	Low	65.8	Low	102 Å²	102	125.6 Å²	125.6	55%	0.545	63%	0.627	S	S	.	*			trans	-62.1	73.6	165	-76.9	-28.3	0	0	0	106.8	N13 Y17	N13-N15 PolarHBondContact ND2-OD1 3.21Å; N13-N15 PolarHBondContact O-N 3.25Å; N15-Y17 VanDerWaalsContact C-N 3.3Å; N15-Y17 HydrophobicContact CB-CE2 4.09Å; N15-Y17 WeakPolarHBondContact O-CD2 3.17Å; N15-Y17 PolarHBondContact O-N 3.27Å
16	S	68.7	Low	67.7	Low	61 Å²	61	120.9 Å²	120.9	43%	0.427	61%	0.606	S	S	.	*			trans	-76.8	95.2	171	54.6	0	0	0	0	105.5	S14 I18 R77	S14-S16 PolarHBondContact O-N 3.07Å; S16-I18 PolarHBondContact O-N 3.03Å; S16-R77 PolarHBondContact O-NH2 3.47Å; S16-R77 VanDerWaalsContact O-NH2 3.15Å
17	Y	75.4	Confident	70.3	Confident	193 Å²	193	112.4 Å²	112.4	76%	0.757	57%	0.567	S	S	*	*			trans	-62.7	80.5	163.7	-67.1	-82.2	0	0	0	107.7	N15 I19	N15-Y17 VanDerWaalsContact C-N 3.3Å; N15-Y17 HydrophobicContact CB-CE2 4.09Å; N15-Y17 WeakPolarHBondContact O-CD2 3.17Å; N15-Y17 PolarHBondContact O-N 3.27Å; Y17-I19 PolarHBondContact O-N 2.82Å; Y17-I19 VanDerWaalsContact O-N 3.17Å
18	I	81.7	Confident	72.7	Confident	53 Å²	53	110.6 Å²	110.6	27%	0.272	55%	0.551	S	S	.	*			trans	-83.5	92.4	178.7	-58.8	175.9	0	0	0	107.3	S16 K20 Y129	S16-I18 PolarHBondContact O-N 3.03Å; I18-K20 VanDerWaalsContact C-N 3.26Å; I18-K20 WeakPolarHBondContact CG2-O 3.48Å; I18-K20 PolarHBondContact O-N 2.78Å; I18-Y129 WeakPolarHBondContact CG2-OH 3.13Å; I18-Y129 WeakPolarHBondContact O-CE1 3.48Å; I18-Y129 PolarHBondContact O-OH 2.91Å
19	I	86.2	Confident	75.2	Confident	119 Å²	119	107 Å²	107	61%	0.61	53%	0.528	S	S	*	.			trans	-75.4	-11.9	179.8	57.7	168.1	0	0	0	113.9	Y17 N106	Y17-I19 PolarHBondContact O-N 2.82Å; Y17-I19 VanDerWaalsContact O-N 3.17Å; I19-N106 PolarHBondContact O-ND2 2.86Å
20	K	87.9	Confident	77.5	Confident	125 Å²	125	109.3 Å²	109.3	54%	0.543	53%	0.526	S	S	.	.	S	Bend	trans	-139.5	133.3	178	-67.5	-171	178.2	-165.4	0	111	I18 D105	I18-K20 VanDerWaalsContact C-N 3.26Å; I18-K20 WeakPolarHBondContact CG2-O 3.48Å; I18-K20 PolarHBondContact O-N 2.78Å; K20-D105 IonicContact NZ-OD2 3.88Å
21	P	90.5	Very high	79.7	Confident	21 Å²	21	105.3 Å²	105.3	14%	0.136	50%	0.499	C	S	.	.			trans	-63	148.6	174.5	28.6	-32.1	0	0	0	110.1	Q25 Y78 N106 Y129	P21-Q25 HydrophobicContact CB-CB 4.38Å; P21-Y78 HydrophobicContact CB-CE2 4.47Å; P21-N106 VanDerWaalsContact CD-CG 3.46Å; P21-N106 WeakPolarHBondContact CD-OD1 3.03Å; P21-N106 HydrophobicContact CG-CB 4.49Å; P21-Y129 HydrophobicContact CB-CD2 4.28Å; P21-Y129 HydrophobicContact CB-CE2 3.8Å; P21-Y129 HydrophobicContact CG-CD2 4.44Å; P21-Y129 HydrophobicContact CG-CE2 4.31Å
22	R	89.5	Confident	82	Confident	179 Å²	179	96.9 Å²	96.9	68%	0.675	46%	0.46	S	S	*	.			trans	-63.9	157.2	166.5	-61.9	-177.8	178.1	-175.6	-1.4	109.6	D24 Q25 K26	R22-D24 WeakPolarHBondContact CB-OD1 3.42Å; R22-D24 PolarHBondContact O-N 2.79Å; R22-Q25 HydrophobicContact CB-CB 4.3Å; R22-Q25 HydrophobicContact CB-CG 4.21Å; R22-Q25 CarbonylContact O-C 3.49Å; R22-Q25 WeakPolarHBondContact O-CA 3.04Å; R22-Q25 PolarHBondContact O-N 2.97Å; R22-K26 PolarHBondContact O-N 2.67Å
23	F	87.6	Confident	84.5	Confident	171 Å²	171	93.3 Å²	93.3	75%	0.75	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-58.4	-34.1	-175.8	-179.5	-100.7	0	0	0	114	R28	F23-R28 PolarHBondContact O-NH2 2.94Å
24	D	88.9	Confident	86.6	Confident	97 Å²	97	90.2 Å²	90.2	52%	0.519	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-76.7	-21.9	174.4	64.9	-54.6	0	0	0	112.9	R22	R22-D24 WeakPolarHBondContact CB-OD1 3.42Å; R22-D24 PolarHBondContact O-N 2.79Å
25	Q	91.4	Very high	88.8	Confident	63 Å²	63	86.8 Å²	86.8	29%	0.294	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-98.8	13.3	-178.8	-61.9	-60.2	-51.8	0	0	113.4	P21 R22 L75 Y78	P21-Q25 HydrophobicContact CB-CB 4.38Å; R22-Q25 HydrophobicContact CB-CB 4.3Å; R22-Q25 HydrophobicContact CB-CG 4.21Å; R22-Q25 CarbonylContact O-C 3.49Å; R22-Q25 WeakPolarHBondContact O-CA 3.04Å; R22-Q25 PolarHBondContact O-N 2.97Å; Q25-L75 HydrophobicContact CB-CD2 4.4Å; Q25-L75 WeakPolarHBondContact O-CD2 3.42Å; Q25-Y78 WeakPolarHBondContact O-CE2 3.07Å
26	K	93.4	Very high	90.8	Very high	86 Å²	86	82 Å²	82	37%	0.374	37%	0.37	S	S	.	.	S	Bend	trans	-84.4	142.9	178	-169.5	167	-174.7	162.3	0	111	R22 R28 D105	R22-K26 PolarHBondContact O-N 2.67Å; K26-R28 PolarHBondContact O-N 2.65Å; K26-D105 VanDerWaalsContact CE-O 3.24Å; K26-D105 WeakPolarHBondContact CE-O 3.44Å; K26-D105 PolarHBondContact NZ-O 3.41Å
27	F	94.8	Very high	92.2	Very high	3 Å²	3	81.2 Å²	81.2	1%	0.013	37%	0.365	C	S	.	.			trans	-62.6	122.1	169.4	-174.4	-79	0	0	0	110.4	P29 V32 L75 Y78 Y80 N108 A110 V125	F27-P29 HydrophobicContact CD1-CG 4.11Å; F27-P29 HydrophobicContact CE1-CB 4.45Å; F27-P29 HydrophobicContact CE1-CG 4.11Å; F27-P29 WeakPolarHBondContact O-CD 3.48Å; F27-V32 HydrophobicContact CD1-CG2 4.42Å; F27-V32 HydrophobicContact CD2-CG2 4.32Å; F27-V32 HydrophobicContact CE1-CB 4.4Å; F27-V32 HydrophobicContact CE1-CG2 3.92Å; F27-V32 HydrophobicContact CE2-CG1 4.46Å; F27-V32 HydrophobicContact CE2-CG2 3.78Å; F27-V32 HydrophobicContact CZ-CB 4.1Å; F27-V32 HydrophobicContact CZ-CG1 3.91Å; F27-V32 HydrophobicContact CZ-CG2 3.6Å; F27-L75 HydrophobicContact CB-CD1 4.37Å; F27-Y78 HydrophobicContact CB-CD1 4.19Å; F27-Y78 HydrophobicContact CB-CE1 3.67Å; F27-Y78 HydrophobicContact CD2-CD1 4.5Å; F27-Y78 PolarHBondContact N-OH 3.48Å; F27-Y80 AromaticContact CD2-CE1 3.98Å; F27-Y80 HydrophobicContact CD2-CE1 3.98Å; F27-Y80 HydrophobicContact CE2-CD1 4.14Å; F27-Y80 AromaticContact CE2-CE1 3.82Å; F27-Y80 HydrophobicContact CE2-CE1 3.82Å; F27-N108 HydrophobicContact CB-CB 4.38Å; F27-N108 HydrophobicContact CD1-CB 3.6Å; F27-N108 HydrophobicContact CE1-CB 4.14Å; F27-N108 HydrophobicContact CG-CB 4.26Å; F27-A110 HydrophobicContact CE1-CB 4.35Å; F27-A110 HydrophobicContact CZ-CB 4.39Å; F27-V125 HydrophobicContact CE2-CG1 4.24Å; F27-V125 HydrophobicContact CZ-CG1 4.2Å
28	R	95	Very high	93.2	Very high	120 Å²	120	78 Å²	78	45%	0.453	36%	0.357	S	S	.	.			trans	-108.3	102.2	-179.5	-65.6	-177.5	-177.6	-156.5	-2.1	110.2	F23 K26 W30 A31 V32	F23-R28 PolarHBondContact O-NH2 2.94Å; K26-R28 PolarHBondContact O-N 2.65Å; R28-W30 VanDerWaalsContact C-N 3.26Å; R28-W30 PolarHBondContact O-N 3.28Å; R28-A31 HydrophobicContact CB-CB 4.13Å; R28-A31 PolarHBondContact O-N 2.92Å; R28-A31 VanDerWaalsContact O-N 3.16Å; R28-V32 WeakPolarHBondContact O-CG2 2.93Å; R28-V32 PolarHBondContact O-N 2.92Å; R28-V32 VanDerWaalsContact O-N 3.16Å
29	P	96.2	Very high	94	Very high	33 Å²	33	75.7 Å²	75.7	21%	0.214	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-38.2	-176	-31.6	38.1	0	0	0	114.7	F27 V32 R33 N108 C109 A110	F27-P29 HydrophobicContact CD1-CG 4.11Å; F27-P29 HydrophobicContact CE1-CB 4.45Å; F27-P29 HydrophobicContact CE1-CG 4.11Å; F27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-V32 PolarHBondContact O-N 3.4Å; P29-R33 VanDerWaalsContact O-CB 3.27Å; P29-R33 WeakPolarHBondContact O-CB 3.47Å; P29-R33 PolarHBondContact O-N 3.23Å; P29-N108 HydrophobicContact CG-CB 4.27Å; P29-N108 VanDerWaalsContact CG-ND2 3.25Å; P29-N108 WeakPolarHBondContact CG-ND2 3.31Å; P29-N108 WeakPolarHBondContact CG-OD1 3.2Å; P29-C109 WeakPolarHBondContact CB-O 3.35Å; P29-A110 HydrophobicContact CB-CB 4.26Å; P29-A110 WeakPolarHBondContact O-CB 3.46Å
30	W	96.7	Very high	94.5	Very high	189 Å²	189	70 Å²	70	72%	0.716	32%	0.316	S	S	*	.	H	α-helix	trans	-65.2	-44.3	-179.8	178	86.3	0	0	0	112.6	R28 V32 R33 N34	R28-W30 VanDerWaalsContact C-N 3.26Å; R28-W30 PolarHBondContact O-N 3.28Å; W30-V32 VanDerWaalsContact C-N 3.35Å; W30-V32 PolarHBondContact O-N 2.61Å; W30-R33 PolarHBondContact O-N 2.99Å; W30-N34 VanDerWaalsContact CH2-ND2 3.28Å; W30-N34 WeakPolarHBondContact CH2-ND2 3.36Å; W30-N34 WeakPolarHBondContact CZ2-ND2 3.04Å; W30-N34 PolarHBondContact O-N 3.25Å; W30-N34 PolarHBondContact O-OD1 3.34Å
31	A	95.7	Very high	94.9	Very high	23 Å²	23	69.1 Å²	69.1	19%	0.19	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-42.6	178	0	0	0	0	0	111.2	R28 N34 I35 L73	R28-A31 HydrophobicContact CB-CB 4.13Å; R28-A31 PolarHBondContact O-N 2.92Å; R28-A31 VanDerWaalsContact O-N 3.16Å; A31-N34 PolarHBondContact O-N 3.23Å; A31-I35 WeakPolarHBondContact O-CG1 3.4Å; A31-I35 PolarHBondContact O-N 2.98Å; A31-L73 HydrophobicContact CB-CD2 4.32Å
32	V	97.4	Very high	95.2	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-47.1	176.2	175.7	0	0	0	0	110.7	F27 R28 P29 W30 N34 I35 I36 L69 L73 A110 V125	F27-V32 HydrophobicContact CD1-CG2 4.42Å; F27-V32 HydrophobicContact CD2-CG2 4.32Å; F27-V32 HydrophobicContact CE1-CB 4.4Å; F27-V32 HydrophobicContact CE1-CG2 3.92Å; F27-V32 HydrophobicContact CE2-CG1 4.46Å; F27-V32 HydrophobicContact CE2-CG2 3.78Å; F27-V32 HydrophobicContact CZ-CB 4.1Å; F27-V32 HydrophobicContact CZ-CG1 3.91Å; F27-V32 HydrophobicContact CZ-CG2 3.6Å; R28-V32 WeakPolarHBondContact O-CG2 2.93Å; R28-V32 PolarHBondContact O-N 2.92Å; R28-V32 VanDerWaalsContact O-N 3.16Å; P29-V32 PolarHBondContact O-N 3.4Å; W30-V32 VanDerWaalsContact C-N 3.35Å; W30-V32 PolarHBondContact O-N 2.61Å; V32-N34 PolarHBondContact O-N 3.1Å; V32-I35 PolarHBondContact O-N 2.86Å; V32-I36 HydrophobicContact CG1-CD1 3.54Å; V32-I36 HydrophobicContact CG1-CG1 4.36Å; V32-I36 WeakPolarHBondContact O-CD1 3.4Å; V32-I36 VanDerWaalsContact O-CG1 3.23Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 3.15Å; V32-L69 HydrophobicContact CB-CD2 4.33Å; V32-L69 HydrophobicContact CG1-CD1 4.26Å; V32-L69 HydrophobicContact CG1-CD2 3.87Å; V32-L69 HydrophobicContact CG2-CD2 4.23Å; V32-L73 HydrophobicContact CG2-CD1 3.52Å; V32-A110 HydrophobicContact CB-CB 3.8Å; V32-A110 HydrophobicContact CG1-CB 3.56Å; V32-V125 HydrophobicContact CG1-CB 4.09Å; V32-V125 HydrophobicContact CG1-CG1 4.02Å
33	R	97.8	Very high	95.5	Very high	97 Å²	97	72.4 Å²	72.4	37%	0.366	33%	0.328	S	S	.	.	H	α-helix	trans	-55.3	-48.5	176.7	173.3	176.8	-73.5	116.8	-2.6	111.5	P29 W30 I35 I36 S37 A110 D111	P29-R33 VanDerWaalsContact O-CB 3.27Å; P29-R33 WeakPolarHBondContact O-CB 3.47Å; P29-R33 PolarHBondContact O-N 3.23Å; W30-R33 PolarHBondContact O-N 2.99Å; R33-I35 PolarHBondContact O-N 3.47Å; R33-I36 PolarHBondContact O-N 2.84Å; R33-S37 WeakPolarHBondContact O-CB 3.38Å; R33-S37 PolarHBondContact O-N 2.78Å; R33-S37 PolarHBondContact O-OG 2.95Å; R33-A110 HydrophobicContact CB-CB 4.48Å; R33-D111 PolarHBondContact NE-O 2.81Å; R33-D111 PolarHBondContact NH2-O 3.33Å
34	N	97.5	Very high	95.9	Very high	56 Å²	56	64.5 Å²	64.5	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-45.1	-179	-69	-8	0	0	0	112.1	W30 A31 V32 I36 S37 Q38	W30-N34 VanDerWaalsContact CH2-ND2 3.28Å; W30-N34 WeakPolarHBondContact CH2-ND2 3.36Å; W30-N34 WeakPolarHBondContact CZ2-ND2 3.04Å; W30-N34 PolarHBondContact O-N 3.25Å; W30-N34 PolarHBondContact O-OD1 3.34Å; A31-N34 PolarHBondContact O-N 3.23Å; V32-N34 PolarHBondContact O-N 3.1Å; N34-I36 VanDerWaalsContact C-N 3.33Å; N34-I36 PolarHBondContact O-N 3.43Å; N34-S37 PolarHBondContact O-N 2.82Å; N34-Q38 WeakPolarHBondContact O-CB 3.49Å; N34-Q38 WeakPolarHBondContact O-CG 3.46Å; N34-Q38 PolarHBondContact O-N 2.73Å
35	I	96.9	Very high	96.2	Very high	32 Å²	32	65 Å²	65	16%	0.164	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-46.5	177.4	-67.4	164.9	0	0	0	110.5	A31 V32 R33 L39 L68 L69 L73	A31-I35 WeakPolarHBondContact O-CG1 3.4Å; A31-I35 PolarHBondContact O-N 2.98Å; V32-I35 PolarHBondContact O-N 2.86Å; R33-I35 PolarHBondContact O-N 3.47Å; I35-L39 PolarHBondContact O-N 3.47Å; I35-L39 VanDerWaalsContact O-N 3.09Å; I35-L68 HydrophobicContact CG2-CB 4.28Å; I35-L69 HydrophobicContact CB-CD2 4.5Å; I35-L69 HydrophobicContact CD1-CD2 4.23Å; I35-L69 HydrophobicContact CG2-CD2 4.25Å; I35-L73 HydrophobicContact CD1-CD2 4.35Å
36	I	97.6	Very high	96.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-46.3	-179.3	-58.8	158.3	0	0	0	110.3	V32 R33 N34 Q38 L39 L40 I65 A112 A123 V125	V32-I36 HydrophobicContact CG1-CD1 3.54Å; V32-I36 HydrophobicContact CG1-CG1 4.36Å; V32-I36 WeakPolarHBondContact O-CD1 3.4Å; V32-I36 VanDerWaalsContact O-CG1 3.23Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 3.15Å; R33-I36 PolarHBondContact O-N 2.84Å; N34-I36 VanDerWaalsContact C-N 3.33Å; N34-I36 PolarHBondContact O-N 3.43Å; I36-Q38 VanDerWaalsContact C-N 3.29Å; I36-Q38 PolarHBondContact O-N 3.37Å; I36-L39 PolarHBondContact O-N 2.86Å; I36-L40 HydrophobicContact CG2-CD1 4Å; I36-L40 HydrophobicContact CG2-CG 3.95Å; I36-L40 WeakPolarHBondContact O-CB 3.48Å; I36-L40 VanDerWaalsContact O-CG 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.41Å; I36-L40 PolarHBondContact O-N 3.42Å; I36-I65 HydrophobicContact CG1-CG2 4.02Å; I36-I65 HydrophobicContact CG2-CD1 4.04Å; I36-I65 HydrophobicContact CG2-CG1 4.49Å; I36-A112 HydrophobicContact CB-CB 3.87Å; I36-A112 HydrophobicContact CG2-CB 3.63Å; I36-A123 HydrophobicContact CG2-CB 3.74Å; I36-V125 HydrophobicContact CD1-CB 3.94Å; I36-V125 HydrophobicContact CD1-CG2 3.35Å; I36-V125 HydrophobicContact CG1-CG2 4.22Å
37	S	97.6	Very high	96.4	Very high	46 Å²	46	67.2 Å²	67.2	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-40.9	179	-71.4	0	0	0	0	112.5	R33 N34 K41 A112	R33-S37 WeakPolarHBondContact O-CB 3.38Å; R33-S37 PolarHBondContact O-N 2.78Å; R33-S37 PolarHBondContact O-OG 2.95Å; N34-S37 PolarHBondContact O-N 2.82Å; S37-K41 WeakPolarHBondContact O-CB 3.38Å; S37-K41 PolarHBondContact O-N 2.96Å; S37-K41 VanDerWaalsContact O-N 3.1Å; S37-A112 WeakPolarHBondContact OG-CB 3.35Å
38	Q	97.5	Very high	96.4	Very high	125 Å²	125	72 Å²	72	58%	0.584	34%	0.342	S	S	*	.	H	α-helix	trans	-63.6	-49.4	174.9	-74.4	178	-44.3	0	0	111.3	N34 I36 L40 K41 E42	N34-Q38 WeakPolarHBondContact O-CB 3.49Å; N34-Q38 WeakPolarHBondContact O-CG 3.46Å; N34-Q38 PolarHBondContact O-N 2.73Å; I36-Q38 VanDerWaalsContact C-N 3.29Å; I36-Q38 PolarHBondContact O-N 3.37Å; Q38-L40 PolarHBondContact O-N 3.46Å; Q38-K41 PolarHBondContact O-N 3.46Å; Q38-E42 WeakPolarHBondContact O-CG 3.23Å; Q38-E42 PolarHBondContact O-N 3.02Å
39	L	97.2	Very high	96.4	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-45.2	178.3	179.2	69.9	0	0	0	112.4	I35 I36 K41 E42 R43 L61 E64 I65 L68	I35-L39 PolarHBondContact O-N 3.47Å; I35-L39 VanDerWaalsContact O-N 3.09Å; I36-L39 PolarHBondContact O-N 2.86Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 2.88Å; L39-E42 PolarHBondContact O-N 3.49Å; L39-R43 HydrophobicContact CD1-CG 3.85Å; L39-R43 HydrophobicContact CG-CG 4.25Å; L39-R43 WeakPolarHBondContact O-CB 3.22Å; L39-R43 WeakPolarHBondContact O-CG 3.21Å; L39-R43 PolarHBondContact O-N 3.19Å; L39-L61 HydrophobicContact CD2-CD1 4.03Å; L39-L61 HydrophobicContact CG-CD1 4.22Å; L39-E64 HydrophobicContact CD1-CG 3.96Å; L39-E64 HydrophobicContact CD2-CB 4.29Å; L39-E64 HydrophobicContact CD2-CG 4Å; L39-I65 HydrophobicContact CD2-CB 4.41Å; L39-I65 HydrophobicContact CD2-CD1 4.49Å; L39-I65 HydrophobicContact CD2-CG1 3.44Å; L39-I65 VanDerWaalsContact CD2-CG1 3.44Å; L39-L68 HydrophobicContact CB-CD1 4.3Å; L39-L68 HydrophobicContact CD1-CD1 3.8Å; L39-L68 HydrophobicContact CD2-CD1 3.88Å; L39-L68 HydrophobicContact CG-CD1 4.19Å
40	L	97.7	Very high	96.4	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-42.6	179	-70	-175.7	0	0	0	110.7	I36 Q38 L44 L61 A112 F114 A123	I36-L40 HydrophobicContact CG2-CD1 4Å; I36-L40 HydrophobicContact CG2-CG 3.95Å; I36-L40 WeakPolarHBondContact O-CB 3.48Å; I36-L40 VanDerWaalsContact O-CG 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.41Å; I36-L40 PolarHBondContact O-N 3.42Å; Q38-L40 PolarHBondContact O-N 3.46Å; L40-L44 HydrophobicContact CD2-CD1 4.17Å; L40-L44 WeakPolarHBondContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 3.39Å; L40-L61 HydrophobicContact CD2-CD1 4.3Å; L40-L61 HydrophobicContact CD2-CD2 3.44Å; L40-L61 VanDerWaalsContact CD2-CD2 3.44Å; L40-L61 HydrophobicContact CD2-CG 4.12Å; L40-A112 HydrophobicContact CD1-CB 4.07Å; L40-F114 HydrophobicContact CB-CB 3.8Å; L40-F114 HydrophobicContact CB-CG 4.36Å; L40-F114 HydrophobicContact CD1-CB 4.11Å; L40-A123 HydrophobicContact CD1-CB 4.18Å; L40-A123 HydrophobicContact CD2-CB 4.41Å
41	K	97.1	Very high	96.2	Very high	106 Å²	106	63.8 Å²	63.8	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-52.9	175.3	-176.6	176.7	179.4	-179.7	0	111	S37 Q38 L39 R43 L44 E45 F114	S37-K41 WeakPolarHBondContact O-CB 3.38Å; S37-K41 PolarHBondContact O-N 2.96Å; S37-K41 VanDerWaalsContact O-N 3.1Å; Q38-K41 PolarHBondContact O-N 3.46Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 2.88Å; K41-R43 PolarHBondContact O-N 3.26Å; K41-L44 PolarHBondContact O-N 3.45Å; K41-E45 VanDerWaalsContact CE-CD 3.46Å; K41-E45 WeakPolarHBondContact CE-OE1 3.34Å; K41-E45 WeakPolarHBondContact CE-OE2 3.39Å; K41-E45 WeakPolarHBondContact CG-OE2 3.28Å; K41-E45 IonicContact NZ-OE1 3.48Å; K41-E45 WeakPolarHBondContact O-CB 3.38Å; K41-E45 PolarHBondContact O-N 3.19Å; K41-F114 HydrophobicContact CB-CD2 4.28Å; K41-F114 HydrophobicContact CB-CE2 4.17Å; K41-F114 HydrophobicContact CG-CE2 4.17Å
42	E	96.6	Very high	96.2	Very high	142 Å²	142	69.3 Å²	69.3	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-57.3	-36.6	-179.5	-72.1	169.6	-167	0	0	113.2	Q38 L39	Q38-E42 WeakPolarHBondContact O-CG 3.23Å; Q38-E42 PolarHBondContact O-N 3.02Å; L39-E42 PolarHBondContact O-N 3.49Å
43	R	94.8	Very high	96	Very high	126 Å²	126	73.4 Å²	73.4	48%	0.475	37%	0.365	S	S	.	.	H	α-helix	trans	-88.2	-30.3	-176.6	-69	-61	-171.9	-160.4	-7.1	114.5	L39 K41 E47 L61 E64	L39-R43 HydrophobicContact CD1-CG 3.85Å; L39-R43 HydrophobicContact CG-CG 4.25Å; L39-R43 WeakPolarHBondContact O-CB 3.22Å; L39-R43 WeakPolarHBondContact O-CG 3.21Å; L39-R43 PolarHBondContact O-N 3.19Å; K41-R43 PolarHBondContact O-N 3.26Å; R43-E47 WeakPolarHBondContact O-CG 3.44Å; R43-L61 HydrophobicContact CB-CD1 4.06Å; R43-L61 HydrophobicContact CG-CD1 4.01Å; R43-E64 IonicContact CZ-OE1 3.55Å; R43-E64 IonicContact CZ-OE2 3.92Å; R43-E64 IonicContact NE-OE1 2.86Å; R43-E64 PolarHBondContact NE-OE1 3.1Å; R43-E64 IonicContact NE-OE2 2.79Å; R43-E64 PolarHBondContact NE-OE2 3.25Å; R43-E64 IonicContact NH2-OE1 3.47Å; R43-E64 PolarHBondContact NH2-OE1 2.85Å; R43-E64 IonicContact NH2-OE2 2.67Å; R43-E64 PolarHBondContact NH2-OE2 3.2Å
44	L	96.3	Very high	95.8	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-114.5	-6.8	-168.6	-57.7	175.6	0	0	0	113.9	L40 K41 T46 E47 L61 I86 F114 N116 L119 C121	L40-L44 HydrophobicContact CD2-CD1 4.17Å; L40-L44 WeakPolarHBondContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 3.39Å; K41-L44 PolarHBondContact O-N 3.45Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 3.09Å; L44-E47 HydrophobicContact CD2-CB 4.45Å; L44-E47 HydrophobicContact CD2-CG 4.45Å; L44-E47 PolarHBondContact O-N 3.27Å; L44-L61 HydrophobicContact CD1-CD2 4.35Å; L44-I86 HydrophobicContact CD2-CD1 4.43Å; L44-F114 HydrophobicContact CB-CD1 3.51Å; L44-F114 HydrophobicContact CB-CE1 3.47Å; L44-F114 VanDerWaalsContact CB-CE1 3.47Å; L44-F114 HydrophobicContact CB-CG 4.44Å; L44-F114 HydrophobicContact CB-CZ 4.4Å; L44-F114 HydrophobicContact CD1-CD1 3.99Å; L44-F114 HydrophobicContact CG-CD1 4.41Å; L44-F114 WeakPolarHBondContact O-CE1 3.17Å; L44-N116 PolarHBondContact O-ND2 3.45Å; L44-L119 HydrophobicContact CB-CD1 4.37Å; L44-L119 HydrophobicContact CD1-CD1 4.32Å; L44-C121 HydrophobicContact CD1-CB 3.29Å
45	E	95.5	Very high	95.8	Very high	109 Å²	109	73.2 Å²	73.2	51%	0.509	37%	0.367	S	S	.	.	S	Bend	trans	-62.8	-34.1	-179.1	-174.8	157.2	-137.2	0	0	113	K41 F114	K41-E45 VanDerWaalsContact CE-CD 3.46Å; K41-E45 WeakPolarHBondContact CE-OE1 3.34Å; K41-E45 WeakPolarHBondContact CE-OE2 3.39Å; K41-E45 WeakPolarHBondContact CG-OE2 3.28Å; K41-E45 IonicContact NZ-OE1 3.48Å; K41-E45 WeakPolarHBondContact O-CB 3.38Å; K41-E45 PolarHBondContact O-N 3.19Å; E45-F114 HydrophobicContact CB-CZ 4.13Å
46	T	93.7	Very high	95.7	Very high	122 Å²	122	78.3 Å²	78.3	75%	0.748	39%	0.391	S	S	*	.	S	Bend	trans	-102.5	-1.2	178.4	57	0	0	0	0	114.2	L44	L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 3.09Å
47	E	94.3	Very high	95.6	Very high	73 Å²	73	80.3 Å²	80.3	34%	0.341	40%	0.4	S	S	.	.			trans	-85.7	142.7	-174.5	-70.1	-67.5	140.4	0	0	112.1	R43 L44 Q57 N116 S118 L119	R43-E47 WeakPolarHBondContact O-CG 3.44Å; L44-E47 HydrophobicContact CD2-CB 4.45Å; L44-E47 HydrophobicContact CD2-CG 4.45Å; L44-E47 PolarHBondContact O-N 3.27Å; E47-Q57 PolarHBondContact OE2-NE2 3.45Å; E47-N116 PolarHBondContact O-ND2 3.02Å; E47-S118 PolarHBondContact O-OG 3.19Å; E47-L119 HydrophobicContact CB-CD2 4.39Å
48	V	95.4	Very high	95.6	Very high	104 Å²	104	79.2 Å²	79.2	63%	0.63	39%	0.392	S	S	*	.			trans	-107.8	137.6	174.1	-178.2	0	0	0	0	109.3	S50 S118	V48-S50 PolarHBondContact O-N 3.3Å; V48-S118 WeakPolarHBondContact CA-OG 3.31Å
49	Y	95.9	Very high	95.6	Very high	63 Å²	63	77.4 Å²	77.4	25%	0.247	39%	0.386	C	S	.	.			trans	-54.8	124	176.3	-174.6	-102.9	0	0	0	112	P51 T54 I86 E88 S118 L119	Y49-P51 HydrophobicContact CE1-CB 4.27Å; Y49-P51 HydrophobicContact CE1-CG 4.46Å; Y49-T54 HydrophobicContact CE2-CG2 4.34Å; Y49-T54 WeakPolarHBondContact CE2-OG1 3.06Å; Y49-I86 HydrophobicContact CD2-CG2 4.49Å; Y49-E88 HydrophobicContact CD1-CB 3.56Å; Y49-E88 HydrophobicContact CD1-CG 3.6Å; Y49-E88 HydrophobicContact CD2-CB 4.11Å; Y49-E88 HydrophobicContact CE1-CB 3.62Å; Y49-E88 HydrophobicContact CE1-CG 4.07Å; Y49-E88 HydrophobicContact CE2-CB 4.16Å; Y49-E88 HydrophobicContact CG-CB 3.81Å; Y49-E88 HydrophobicContact CG-CG 3.95Å; Y49-S118 PolarHBondContact N-OG 3.43Å; Y49-L119 HydrophobicContact CD2-CB 4.23Å
50	S	95.2	Very high	95.6	Very high	25 Å²	25	80.4 Å²	80.4	18%	0.175	41%	0.407	C	S	.	.			trans	-135	119.4	169.1	155.1	0	0	0	0	109	V48 E52 N53 T54	V48-S50 PolarHBondContact O-N 3.3Å; S50-E52 PolarHBondContact O-N 3.37Å; S50-E52 PolarHBondContact OG-N 3.41Å; S50-E52 PolarHBondContact OG-OE2 2.82Å; S50-N53 PolarHBondContact O-N 3.42Å; S50-N53 PolarHBondContact OG-N 2.83Å; S50-T54 WeakPolarHBondContact O-CB 3.28Å; S50-T54 PolarHBondContact O-N 3.04Å; S50-T54 PolarHBondContact O-OG1 2.83Å
51	P	93.5	Very high	95.6	Very high	81 Å²	81	80.8 Å²	80.8	53%	0.526	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.7	-178.9	24.6	-31.8	0	0	0	112.9	Y49	Y49-P51 HydrophobicContact CE1-CB 4.27Å; Y49-P51 HydrophobicContact CE1-CG 4.46Å
52	E	94.7	Very high	95.6	Very high	139 Å²	139	76.7 Å²	76.7	65%	0.65	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-41.8	177.8	-56.3	74.5	-159.2	0	0	111.6	S50	S50-E52 PolarHBondContact O-N 3.37Å; S50-E52 PolarHBondContact OG-N 3.41Å; S50-E52 PolarHBondContact OG-OE2 2.82Å
53	N	93	Very high	95.7	Very high	85 Å²	85	73.4 Å²	73.4	46%	0.455	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-19.3	-174.6	-62.6	-21.6	0	0	0	113.3	S50 H55 E56 Q57	S50-N53 PolarHBondContact O-N 3.42Å; S50-N53 PolarHBondContact OG-N 2.83Å; N53-H55 VanDerWaalsContact C-N 3.28Å; N53-H55 PolarHBondContact O-N 2.99Å; N53-E56 PolarHBondContact O-N 2.84Å; N53-Q57 WeakPolarHBondContact O-CG 3.39Å; N53-Q57 PolarHBondContact O-N 3.16Å
54	T	94.6	Very high	95.8	Very high	15 Å²	15	68.9 Å²	68.9	9%	0.092	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-38.3	-171.9	-69	0	0	0	0	113	Y49 S50 Q57 C58 I86	Y49-T54 HydrophobicContact CE2-CG2 4.34Å; Y49-T54 WeakPolarHBondContact CE2-OG1 3.06Å; S50-T54 WeakPolarHBondContact O-CB 3.28Å; S50-T54 PolarHBondContact O-N 3.04Å; S50-T54 PolarHBondContact O-OG1 2.83Å; T54-Q57 PolarHBondContact O-N 3.18Å; T54-C58 PolarHBondContact O-N 3.34Å; T54-C58 PolarHBondContact O-SG 2.86Å; T54-I86 HydrophobicContact CG2-CB 3.81Å; T54-I86 HydrophobicContact CG2-CG2 3.87Å
55	H	95.6	Very high	95.9	Very high	134 Å²	134	68.8 Å²	68.8	62%	0.62	37%	0.365	S	S	*	.	H	α-helix	trans	-62.9	-49.9	-179.6	-177.8	68.4	0	0	0	112.3	N53 Q57 C58 I59	N53-H55 VanDerWaalsContact C-N 3.28Å; N53-H55 PolarHBondContact O-N 2.99Å; H55-Q57 VanDerWaalsContact C-N 3.33Å; H55-Q57 PolarHBondContact O-N 3.43Å; H55-C58 PolarHBondContact O-N 2.69Å; H55-I59 WeakPolarHBondContact NE2-CD1 3.23Å; H55-I59 PolarHBondContact O-N 2.88Å
56	E	96.3	Very high	96	Very high	139 Å²	139	67 Å²	67	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-65.5	-38.6	178.7	-63.3	-175.2	170.4	0	0	111.3	N53 C58 I59 S60	N53-E56 PolarHBondContact O-N 2.84Å; E56-C58 PolarHBondContact O-N 2.82Å; E56-I59 PolarHBondContact O-N 3.26Å; E56-S60 VanDerWaalsContact O-CB 3.29Å; E56-S60 WeakPolarHBondContact O-CB 3.39Å; E56-S60 PolarHBondContact O-N 3.37Å
57	Q	95.2	Very high	96.1	Very high	42 Å²	42	67.7 Å²	67.7	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-43.1	173.9	-74.1	-178.8	-33.4	0	0	111.9	E47 N53 T54 H55 I59 S60 L61 I86	E47-Q57 PolarHBondContact OE2-NE2 3.45Å; N53-Q57 WeakPolarHBondContact O-CG 3.39Å; N53-Q57 PolarHBondContact O-N 3.16Å; T54-Q57 PolarHBondContact O-N 3.18Å; H55-Q57 VanDerWaalsContact C-N 3.33Å; H55-Q57 PolarHBondContact O-N 3.43Å; Q57-I59 PolarHBondContact O-N 2.79Å; Q57-S60 PolarHBondContact O-N 2.64Å; Q57-L61 WeakPolarHBondContact O-CB 3.3Å; Q57-L61 PolarHBondContact O-N 3.17Å; Q57-I86 HydrophobicContact CB-CD1 4.18Å
58	C	97.3	Very high	96.2	Very high	23 Å²	23	66.9 Å²	66.9	16%	0.155	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-44.1	177.9	-72	0	0	0	0	112	T54 H55 E56 A62 V84	T54-C58 PolarHBondContact O-N 3.34Å; T54-C58 PolarHBondContact O-SG 2.86Å; H55-C58 PolarHBondContact O-N 2.69Å; E56-C58 PolarHBondContact O-N 2.82Å; C58-A62 VanDerWaalsContact O-CB 3.32Å; C58-A62 WeakPolarHBondContact O-CB 3.27Å; C58-A62 PolarHBondContact O-N 2.89Å; C58-V84 HydrophobicContact CB-CG1 4.28Å
59	I	97.7	Very high	96.2	Very high	88 Å²	88	61.9 Å²	61.9	45%	0.451	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-50	178.1	-64.6	171.2	0	0	0	110.2	H55 E56 Q57 L61 A62 D63	H55-I59 WeakPolarHBondContact NE2-CD1 3.23Å; H55-I59 PolarHBondContact O-N 2.88Å; E56-I59 PolarHBondContact O-N 3.26Å; Q57-I59 PolarHBondContact O-N 2.79Å; I59-L61 VanDerWaalsContact C-N 3.32Å; I59-L61 PolarHBondContact O-N 2.9Å; I59-A62 PolarHBondContact O-N 3.15Å; I59-D63 PolarHBondContact O-N 3.37Å
60	S	97.1	Very high	96.1	Very high	67 Å²	67	65 Å²	65	47%	0.469	32%	0.324	S	S	.	.	H	α-helix	trans	-57.6	-45	180	-176.6	0	0	0	0	111.8	E56 Q57 D63 E64	E56-S60 VanDerWaalsContact O-CB 3.29Å; E56-S60 WeakPolarHBondContact O-CB 3.39Å; E56-S60 PolarHBondContact O-N 3.37Å; Q57-S60 PolarHBondContact O-N 2.64Å; S60-D63 PolarHBondContact O-N 3.45Å; S60-E64 WeakPolarHBondContact O-CB 3.46Å; S60-E64 PolarHBondContact O-N 2.88Å
61	L	97.4	Very high	96.1	Very high	9 Å²	9	72 Å²	72	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-66.9	-42	179.2	-165.6	64.8	0	0	0	111.6	L39 L40 R43 L44 Q57 I59 D63 E64 I65 V84 I86	L39-L61 HydrophobicContact CD2-CD1 4.03Å; L39-L61 HydrophobicContact CG-CD1 4.22Å; L40-L61 HydrophobicContact CD2-CD1 4.3Å; L40-L61 HydrophobicContact CD2-CD2 3.44Å; L40-L61 VanDerWaalsContact CD2-CD2 3.44Å; L40-L61 HydrophobicContact CD2-CG 4.12Å; R43-L61 HydrophobicContact CB-CD1 4.06Å; R43-L61 HydrophobicContact CG-CD1 4.01Å; L44-L61 HydrophobicContact CD1-CD2 4.35Å; Q57-L61 WeakPolarHBondContact O-CB 3.3Å; Q57-L61 PolarHBondContact O-N 3.17Å; I59-L61 VanDerWaalsContact C-N 3.32Å; I59-L61 PolarHBondContact O-N 2.9Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.97Å; L61-E64 PolarHBondContact O-N 3.24Å; L61-I65 HydrophobicContact CG-CD1 4.31Å; L61-I65 WeakPolarHBondContact O-CB 3.4Å; L61-I65 WeakPolarHBondContact O-CG1 3.29Å; L61-I65 PolarHBondContact O-N 3.41Å; L61-V84 HydrophobicContact CB-CG1 4.46Å; L61-V84 HydrophobicContact CD2-CG1 3.8Å; L61-I86 HydrophobicContact CD2-CD1 4.48Å
62	A	98.1	Very high	96.1	Very high	19 Å²	19	71.5 Å²	71.5	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-42.6	175.8	0	0	0	0	0	111.9	C58 I59 K66 I82 V84	C58-A62 VanDerWaalsContact O-CB 3.32Å; C58-A62 WeakPolarHBondContact O-CB 3.27Å; C58-A62 PolarHBondContact O-N 2.89Å; I59-A62 PolarHBondContact O-N 3.15Å; A62-K66 WeakPolarHBondContact O-CB 3.44Å; A62-K66 PolarHBondContact O-N 3.31Å; A62-I82 HydrophobicContact CB-CB 4.38Å; A62-I82 HydrophobicContact CB-CG2 4.04Å; A62-V84 HydrophobicContact CB-CG2 3.86Å
63	D	97.9	Very high	95.9	Very high	74 Å²	74	66.6 Å²	66.6	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-67.7	-39.2	176.4	-85.7	-23.7	0	0	0	112.6	I59 S60 L61 K66 R67	I59-D63 PolarHBondContact O-N 3.37Å; S60-D63 PolarHBondContact O-N 3.45Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.97Å; D63-K66 WeakPolarHBondContact O-CB 2.99Å; D63-K66 PolarHBondContact O-N 3.38Å; D63-R67 WeakPolarHBondContact O-CG 3.4Å; D63-R67 PolarHBondContact O-N 2.92Å
64	E	97.5	Very high	95.7	Very high	31 Å²	31	66.4 Å²	66.4	15%	0.145	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-46.9	175.6	-171.4	167.1	-157.9	0	0	111.7	L39 R43 S60 L61 K66 R67 L68	L39-E64 HydrophobicContact CD1-CG 3.96Å; L39-E64 HydrophobicContact CD2-CB 4.29Å; L39-E64 HydrophobicContact CD2-CG 4Å; R43-E64 IonicContact CZ-OE1 3.55Å; R43-E64 IonicContact CZ-OE2 3.92Å; R43-E64 IonicContact NE-OE1 2.86Å; R43-E64 PolarHBondContact NE-OE1 3.1Å; R43-E64 IonicContact NE-OE2 2.79Å; R43-E64 PolarHBondContact NE-OE2 3.25Å; R43-E64 IonicContact NH2-OE1 3.47Å; R43-E64 PolarHBondContact NH2-OE1 2.85Å; R43-E64 IonicContact NH2-OE2 2.67Å; R43-E64 PolarHBondContact NH2-OE2 3.2Å; S60-E64 WeakPolarHBondContact O-CB 3.46Å; S60-E64 PolarHBondContact O-N 2.88Å; L61-E64 PolarHBondContact O-N 3.24Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-K66 PolarHBondContact O-N 3.33Å; E64-R67 PolarHBondContact O-N 3.23Å; E64-R67 VanDerWaalsContact O-N 3.15Å; E64-L68 HydrophobicContact CG-CD1 4.21Å; E64-L68 WeakPolarHBondContact O-CG 3.27Å; E64-L68 PolarHBondContact O-N 3.47Å
65	I	97.8	Very high	95.5	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-54.4	-49.3	172.4	-68.4	166.2	0	0	0	109.8	I36 L39 L61 R67 L68 L69 I82 V84 A123 V125	I36-I65 HydrophobicContact CG1-CG2 4.02Å; I36-I65 HydrophobicContact CG2-CD1 4.04Å; I36-I65 HydrophobicContact CG2-CG1 4.49Å; L39-I65 HydrophobicContact CD2-CB 4.41Å; L39-I65 HydrophobicContact CD2-CD1 4.49Å; L39-I65 HydrophobicContact CD2-CG1 3.44Å; L39-I65 VanDerWaalsContact CD2-CG1 3.44Å; L61-I65 HydrophobicContact CG-CD1 4.31Å; L61-I65 WeakPolarHBondContact O-CB 3.4Å; L61-I65 WeakPolarHBondContact O-CG1 3.29Å; L61-I65 PolarHBondContact O-N 3.41Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.99Å; I65-L68 PolarHBondContact O-N 3.16Å; I65-L69 HydrophobicContact CG2-CD1 3.72Å; I65-L69 HydrophobicContact CG2-CG 4.2Å; I65-L69 VanDerWaalsContact O-CG 3.27Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 2.83Å; I65-I82 HydrophobicContact CB-CG2 4.28Å; I65-I82 HydrophobicContact CD1-CG2 4.09Å; I65-I82 HydrophobicContact CG2-CG1 4.04Å; I65-I82 HydrophobicContact CG2-CG2 4.11Å; I65-V84 HydrophobicContact CD1-CG2 4.03Å; I65-A123 HydrophobicContact CD1-CB 4.02Å; I65-V125 HydrophobicContact CG2-CG2 3.73Å
66	K	96.8	Very high	95.2	Very high	73 Å²	73	71.2 Å²	71.2	32%	0.317	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-39.5	179.6	-167.3	-179.9	-179.2	175.1	0	112.6	A62 D63 E64 R70 I82	A62-K66 WeakPolarHBondContact O-CB 3.44Å; A62-K66 PolarHBondContact O-N 3.31Å; D63-K66 WeakPolarHBondContact O-CB 2.99Å; D63-K66 PolarHBondContact O-N 3.38Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-K66 PolarHBondContact O-N 3.33Å; K66-R70 WeakPolarHBondContact O-CG 3.47Å; K66-R70 PolarHBondContact O-N 2.8Å; K66-R70 PolarHBondContact O-NE 2.87Å; K66-I82 HydrophobicContact CB-CD1 3.62Å; K66-I82 HydrophobicContact CB-CG1 4.47Å; K66-I82 HydrophobicContact CD-CD1 4.08Å; K66-I82 HydrophobicContact CG-CD1 3.73Å
67	R	96.5	Very high	95	Very high	136 Å²	136	68.1 Å²	68.1	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-47.2	175.6	-75.2	-172.7	-60.7	-110.2	0.5	111.1	D63 E64 I65 R70 K71	D63-R67 WeakPolarHBondContact O-CG 3.4Å; D63-R67 PolarHBondContact O-N 2.92Å; E64-R67 PolarHBondContact O-N 3.23Å; E64-R67 VanDerWaalsContact O-N 3.15Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.99Å; R67-R70 PolarHBondContact O-N 3Å; R67-K71 PolarHBondContact O-N 3.13Å; R67-K71 VanDerWaalsContact O-N 3.14Å
68	L	96.3	Very high	95	Very high	55 Å²	55	66.9 Å²	66.9	29%	0.288	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-45	-179.7	-74.8	174	0	0	0	112.2	I35 L39 E64 I65 R70 K71 S72	I35-L68 HydrophobicContact CG2-CB 4.28Å; L39-L68 HydrophobicContact CB-CD1 4.3Å; L39-L68 HydrophobicContact CD1-CD1 3.8Å; L39-L68 HydrophobicContact CD2-CD1 3.88Å; L39-L68 HydrophobicContact CG-CD1 4.19Å; E64-L68 HydrophobicContact CG-CD1 4.21Å; E64-L68 WeakPolarHBondContact O-CG 3.27Å; E64-L68 PolarHBondContact O-N 3.47Å; I65-L68 PolarHBondContact O-N 3.16Å; L68-R70 PolarHBondContact O-N 3.5Å; L68-K71 PolarHBondContact O-N 3.14Å; L68-K71 VanDerWaalsContact O-N 3.15Å; L68-S72 WeakPolarHBondContact O-CB 3.39Å; L68-S72 PolarHBondContact O-N 2.84Å; L68-S72 PolarHBondContact O-OG 3.14Å; L68-S72 VanDerWaalsContact O-OG 3.1Å
69	L	96	Very high	94.8	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-41	179.3	-66.8	175.4	0	0	0	112.8	V32 I35 I65 K71 S72 L73 Y80 V125	V32-L69 HydrophobicContact CB-CD2 4.33Å; V32-L69 HydrophobicContact CG1-CD1 4.26Å; V32-L69 HydrophobicContact CG1-CD2 3.87Å; V32-L69 HydrophobicContact CG2-CD2 4.23Å; I35-L69 HydrophobicContact CB-CD2 4.5Å; I35-L69 HydrophobicContact CD1-CD2 4.23Å; I35-L69 HydrophobicContact CG2-CD2 4.25Å; I65-L69 HydrophobicContact CG2-CD1 3.72Å; I65-L69 HydrophobicContact CG2-CG 4.2Å; I65-L69 VanDerWaalsContact O-CG 3.27Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 2.83Å; L69-K71 VanDerWaalsContact C-N 3.28Å; L69-K71 PolarHBondContact O-N 3.41Å; L69-S72 PolarHBondContact O-N 3.15Å; L69-L73 HydrophobicContact CD2-CD1 3.94Å; L69-L73 WeakPolarHBondContact O-CB 3.21Å; L69-L73 PolarHBondContact O-N 3.4Å; L69-Y80 HydrophobicContact CB-CE1 4.42Å; L69-Y80 HydrophobicContact CB-CE2 4.5Å; L69-Y80 HydrophobicContact CD1-CD1 4.22Å; L69-Y80 HydrophobicContact CD1-CE1 4.48Å; L69-V125 HydrophobicContact CD1-CB 4.42Å; L69-V125 HydrophobicContact CD1-CG1 3.55Å; L69-V125 HydrophobicContact CD1-CG2 4.12Å
70	R	94.7	Very high	94.8	Very high	128 Å²	128	71.5 Å²	71.5	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-38.2	175.2	-77.8	-178.5	-72	-163.9	2.2	112	K66 R67 L68 Y80	K66-R70 WeakPolarHBondContact O-CG 3.47Å; K66-R70 PolarHBondContact O-N 2.8Å; K66-R70 PolarHBondContact O-NE 2.87Å; R67-R70 PolarHBondContact O-N 3Å; L68-R70 PolarHBondContact O-N 3.5Å; R70-Y80 HydrophobicContact CG-CD2 4.23Å; R70-Y80 HydrophobicContact CG-CE2 4.12Å
71	K	94.2	Very high	94.8	Very high	172 Å²	172	73.4 Å²	73.4	75%	0.748	33%	0.333	S	S	*	.	H	α-helix	trans	-74.1	-44.2	179	-171	179.2	177.9	-176.6	0	112.2	R67 L68 L69	R67-K71 PolarHBondContact O-N 3.13Å; R67-K71 VanDerWaalsContact O-N 3.14Å; L68-K71 PolarHBondContact O-N 3.14Å; L68-K71 VanDerWaalsContact O-N 3.15Å; L69-K71 VanDerWaalsContact C-N 3.28Å; L69-K71 PolarHBondContact O-N 3.41Å
72	S	93.4	Very high	94.8	Very high	70 Å²	70	74.4 Å²	74.4	49%	0.49	34%	0.339	S	S	.	.	H	α-helix	trans	-84.7	-31.5	-169.4	-58.9	0	0	0	0	114.7	L68 L69	L68-S72 WeakPolarHBondContact O-CB 3.39Å; L68-S72 PolarHBondContact O-N 2.84Å; L68-S72 PolarHBondContact O-OG 3.14Å; L68-S72 VanDerWaalsContact O-OG 3.1Å; L69-S72 PolarHBondContact O-N 3.15Å
73	L	91.3	Very high	94.7	Very high	36 Å²	36	77.8 Å²	77.8	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-101.9	-18.9	-174.9	-58.5	173.5	0	0	0	113.5	A31 V32 I35 L69 L75	A31-L73 HydrophobicContact CB-CD2 4.32Å; V32-L73 HydrophobicContact CG2-CD1 3.52Å; I35-L73 HydrophobicContact CD1-CD2 4.35Å; L69-L73 HydrophobicContact CD2-CD1 3.94Å; L69-L73 WeakPolarHBondContact O-CB 3.21Å; L69-L73 PolarHBondContact O-N 3.4Å; L73-L75 HydrophobicContact CB-CD1 4.18Å; L73-L75 HydrophobicContact CB-CG 3.83Å; L73-L75 HydrophobicContact CD1-CD1 4.46Å; L73-L75 WeakPolarHBondContact O-CD2 3.37Å; L73-L75 WeakPolarHBondContact O-CG 3.32Å; L73-L75 PolarHBondContact O-N 3.36Å
74	S	87.5	Confident	94.7	Very high	82 Å²	82	75.3 Å²	75.3	57%	0.573	34%	0.339	S	S	*	.			trans	49.9	28.9	179.3	-52.2	0	0	0	0	114.9	R76	S74-R76 PolarHBondContact O-N 2.88Å; S74-R76 VanDerWaalsContact O-N 3.09Å
75	L	91.8	Very high	94.7	Very high	12 Å²	12	76.9 Å²	76.9	6%	0.063	35%	0.348	C	S	.	.			trans	-80.9	88.7	-177.5	-58.8	-176.7	0	0	0	111.2	Q25 F27 L73 R77 Y78	Q25-L75 HydrophobicContact CB-CD2 4.4Å; Q25-L75 WeakPolarHBondContact O-CD2 3.42Å; F27-L75 HydrophobicContact CB-CD1 4.37Å; L73-L75 HydrophobicContact CB-CD1 4.18Å; L73-L75 HydrophobicContact CB-CG 3.83Å; L73-L75 HydrophobicContact CD1-CD1 4.46Å; L73-L75 WeakPolarHBondContact O-CD2 3.37Å; L73-L75 WeakPolarHBondContact O-CG 3.32Å; L73-L75 PolarHBondContact O-N 3.36Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 3.32Å; L75-Y78 HydrophobicContact CB-CD2 3.83Å; L75-Y78 HydrophobicContact CB-CG 4.28Å; L75-Y78 HydrophobicContact CD1-CD2 4Å; L75-Y78 HydrophobicContact CD1-CE2 4.37Å; L75-Y78 HydrophobicContact CD1-CG 4.31Å; L75-Y78 HydrophobicContact CG-CD2 4.43Å; L75-Y78 PolarHBondContact O-N 3.35Å
76	R	87.8	Confident	94.6	Very high	238 Å²	238	77.6 Å²	77.6	90%	0.898	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.6	-172	-173.9	155.7	58.9	118.3	-4.6	115	S74	S74-R76 PolarHBondContact O-N 2.88Å; S74-R76 VanDerWaalsContact O-N 3.09Å
77	R	92.1	Very high	94.5	Very high	74 Å²	74	74.7 Å²	74.7	28%	0.279	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.2	-179.3	-72	-170.8	171.2	-117.8	6.5	114	S16 L75 Y129 T130 Y131	S16-R77 PolarHBondContact O-NH2 3.47Å; S16-R77 VanDerWaalsContact O-NH2 3.15Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 3.32Å; R77-Y129 HydrophobicContact CB-CD2 4Å; R77-Y129 HydrophobicContact CB-CE2 3.51Å; R77-Y129 WeakPolarHBondContact CD-OH 3.39Å; R77-Y129 HydrophobicContact CG-CE2 4.35Å; R77-Y129 CarbonylContact O-C 3.57Å; R77-T130 PolarHBondContact NH1-O 3.19Å; R77-T130 WeakPolarHBondContact O-CB 3.41Å; R77-T130 PolarHBondContact O-N 2.99Å; R77-T130 PolarHBondContact O-OG1 3.05Å; R77-Y131 PolarHBondContact NH1-OXT 3.19Å
78	Y	95.1	Very high	94.5	Very high	15 Å²	15	71.7 Å²	71.7	6%	0.059	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.5	178.2	-82.1	-92.9	0	0	0	112.1	P21 Q25 F27 L75 N106 V128 Y129	P21-Y78 HydrophobicContact CB-CE2 4.47Å; Q25-Y78 WeakPolarHBondContact O-CE2 3.07Å; F27-Y78 HydrophobicContact CB-CD1 4.19Å; F27-Y78 HydrophobicContact CB-CE1 3.67Å; F27-Y78 HydrophobicContact CD2-CD1 4.5Å; F27-Y78 PolarHBondContact N-OH 3.48Å; L75-Y78 HydrophobicContact CB-CD2 3.83Å; L75-Y78 HydrophobicContact CB-CG 4.28Å; L75-Y78 HydrophobicContact CD1-CD2 4Å; L75-Y78 HydrophobicContact CD1-CE2 4.37Å; L75-Y78 HydrophobicContact CD1-CG 4.31Å; L75-Y78 HydrophobicContact CG-CD2 4.43Å; L75-Y78 PolarHBondContact O-N 3.35Å; Y78-N106 VanDerWaalsContact CE1-O 3.31Å; Y78-N106 WeakPolarHBondContact CE1-O 3.42Å; Y78-N106 PolarHBondContact OH-O 2.96Å; Y78-V128 WeakPolarHBondContact CA-O 3.37Å; Y78-Y129 HydrophobicContact CD2-CD2 4.05Å; Y78-Y129 HydrophobicContact CE1-CD2 4.45Å; Y78-Y129 AromaticContact CE2-CD2 3.61Å; Y78-Y129 HydrophobicContact CE2-CD2 3.61Å; Y78-Y129 HydrophobicContact CE2-CE2 4.33Å; Y78-Y129 AromaticContact CZ-CD2 3.85Å
79	R	95.1	Very high	94.4	Very high	186 Å²	186	73.2 Å²	73.2	70%	0.702	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.3	165.8	-64	178.1	72	-176.9	2	108.5	V128	R79-V128 PolarHBondContact N-O 2.81Å; R79-V128 PolarHBondContact O-N 3.34Å
80	Y	96.6	Very high	94.3	Very high	23 Å²	23	79.7 Å²	79.7	9%	0.09	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.8	179.9	-57.8	-77.7	0	0	0	110.7	F27 L69 R70 V125 F126	F27-Y80 AromaticContact CD2-CE1 3.98Å; F27-Y80 HydrophobicContact CD2-CE1 3.98Å; F27-Y80 HydrophobicContact CE2-CD1 4.14Å; F27-Y80 AromaticContact CE2-CE1 3.82Å; F27-Y80 HydrophobicContact CE2-CE1 3.82Å; L69-Y80 HydrophobicContact CB-CE1 4.42Å; L69-Y80 HydrophobicContact CB-CE2 4.5Å; L69-Y80 HydrophobicContact CD1-CD1 4.22Å; L69-Y80 HydrophobicContact CD1-CE1 4.48Å; R70-Y80 HydrophobicContact CG-CD2 4.23Å; R70-Y80 HydrophobicContact CG-CE2 4.12Å; Y80-V125 HydrophobicContact CD1-CG1 4.22Å; Y80-F126 WeakPolarHBondContact CA-O 3.45Å
81	L	96.6	Very high	94.2	Very high	106 Å²	106	77.2 Å²	77.2	56%	0.555	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.9	163	179.6	149.2	0	0	0	107.8	F126	L81-F126 HydrophobicContact CB-CB 4.19Å; L81-F126 HydrophobicContact CD2-CB 4.42Å; L81-F126 HydrophobicContact CD2-CD2 3.36Å; L81-F126 HydrophobicContact CD2-CE2 3.83Å; L81-F126 HydrophobicContact CD2-CG 4.11Å; L81-F126 PolarHBondContact N-O 3.25Å; L81-F126 PolarHBondContact O-N 3.25Å
82	I	97.7	Very high	94.1	Very high	30 Å²	30	74.6 Å²	74.6	15%	0.154	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.1	-176.2	-56.9	85.2	0	0	0	107.3	A62 I65 K66 V84 S124 V125	A62-I82 HydrophobicContact CB-CB 4.38Å; A62-I82 HydrophobicContact CB-CG2 4.04Å; I65-I82 HydrophobicContact CB-CG2 4.28Å; I65-I82 HydrophobicContact CD1-CG2 4.09Å; I65-I82 HydrophobicContact CG2-CG1 4.04Å; I65-I82 HydrophobicContact CG2-CG2 4.11Å; K66-I82 HydrophobicContact CB-CD1 3.62Å; K66-I82 HydrophobicContact CB-CG1 4.47Å; K66-I82 HydrophobicContact CD-CD1 4.08Å; K66-I82 HydrophobicContact CG-CD1 3.73Å; I82-V84 HydrophobicContact CG2-CG2 4.06Å; I82-S124 CarbonylContact C-O 3.53Å; I82-S124 WeakPolarHBondContact CA-O 3.42Å; I82-V125 HydrophobicContact CB-CG2 4.47Å; I82-V125 HydrophobicContact CG1-CG2 3.97Å; I82-V125 HydrophobicContact CG2-CG2 4.08Å
83	Q	97.1	Very high	94.1	Very high	90 Å²	90	75.2 Å²	75.2	42%	0.421	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125	172	-178.7	179.2	36.1	0	0	108.1	I85 A123 S124	Q83-I85 HydrophobicContact CG-CG1 4.34Å; Q83-A123 CarbonylContact O-C 3.55Å; Q83-A123 VanDerWaalsContact O-CA 3.3Å; Q83-A123 WeakPolarHBondContact O-CA 3.33Å; Q83-S124 PolarHBondContact N-O 3.44Å; Q83-S124 PolarHBondContact O-N 2.95Å
84	V	97.6	Very high	94.2	Very high	22 Å²	22	77.6 Å²	77.6	13%	0.133	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.4	175.6	176.1	0	0	0	0	108	C58 L61 A62 I65 I82 I86 A123	C58-V84 HydrophobicContact CB-CG1 4.28Å; L61-V84 HydrophobicContact CB-CG1 4.46Å; L61-V84 HydrophobicContact CD2-CG1 3.8Å; A62-V84 HydrophobicContact CB-CG2 3.86Å; I65-V84 HydrophobicContact CD1-CG2 4.03Å; I82-V84 HydrophobicContact CG2-CG2 4.06Å; V84-I86 HydrophobicContact CG1-CD1 4.4Å; V84-I86 HydrophobicContact CG1-CG1 4.11Å; V84-A123 HydrophobicContact CG2-CB 4.32Å
85	I	96.1	Very high	94.5	Very high	65 Å²	65	81 Å²	81	33%	0.333	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.7	176.6	-57.7	173.3	0	0	0	106.8	Q83 M96 C121 V122	Q83-I85 HydrophobicContact CG-CG1 4.34Å; I85-M96 HydrophobicContact CD1-SD 4.13Å; I85-C121 CarbonylContact O-C 3.47Å; I85-C121 VanDerWaalsContact O-CA 3.22Å; I85-C121 WeakPolarHBondContact O-CA 3.44Å; I85-V122 PolarHBondContact N-O 2.71Å; I85-V122 PolarHBondContact O-N 3.17Å
86	I	96.3	Very high	94.5	Very high	17 Å²	17	83.2 Å²	83.2	9%	0.087	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.3	171.9	-61.7	173.5	0	0	0	107.6	L44 Y49 T54 Q57 L61 V84 L119 F120 C121	L44-I86 HydrophobicContact CD2-CD1 4.43Å; Y49-I86 HydrophobicContact CD2-CG2 4.49Å; T54-I86 HydrophobicContact CG2-CB 3.81Å; T54-I86 HydrophobicContact CG2-CG2 3.87Å; Q57-I86 HydrophobicContact CB-CD1 4.18Å; L61-I86 HydrophobicContact CD2-CD1 4.48Å; V84-I86 HydrophobicContact CG1-CD1 4.4Å; V84-I86 HydrophobicContact CG1-CG1 4.11Å; I86-L119 HydrophobicContact CG2-CD2 4.36Å; I86-F120 WeakPolarHBondContact CA-O 3.1Å; I86-C121 HydrophobicContact CG1-CB 4.07Å
87	G	95.5	Very high	94.8	Very high	11 Å²	11	76.4 Å²	76.4	11%	0.113	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	160.7	176.3	0	0	0	0	0	112.5	L119 F120	G87-L119 CarbonylContact O-C 3.53Å; G87-L119 WeakPolarHBondContact O-CA 3.33Å; G87-L119 VanDerWaalsContact O-CB 3.31Å; G87-L119 WeakPolarHBondContact O-CB 3.4Å; G87-F120 PolarHBondContact N-O 2.79Å; G87-F120 VanDerWaalsContact O-CD1 3.28Å; G87-F120 WeakPolarHBondContact O-CD1 3.25Å; G87-F120 PolarHBondContact O-N 3.38Å
88	E	96.3	Very high	94.8	Very high	73 Å²	73	77.4 Å²	77.4	34%	0.341	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.5	177.5	-162.8	-178.2	167.1	0	0	111.3	Y49 K90 F120	Y49-E88 HydrophobicContact CD1-CB 3.56Å; Y49-E88 HydrophobicContact CD1-CG 3.6Å; Y49-E88 HydrophobicContact CD2-CB 4.11Å; Y49-E88 HydrophobicContact CE1-CB 3.62Å; Y49-E88 HydrophobicContact CE1-CG 4.07Å; Y49-E88 HydrophobicContact CE2-CB 4.16Å; Y49-E88 HydrophobicContact CG-CB 3.81Å; Y49-E88 HydrophobicContact CG-CG 3.95Å; E88-K90 VanDerWaalsContact CD-CE 3.46Å; E88-K90 HydrophobicContact CG-CD 4.19Å; E88-K90 HydrophobicContact CG-CG 4.27Å; E88-K90 WeakPolarHBondContact OE1-CD 3.36Å; E88-K90 WeakPolarHBondContact OE1-CE 3.49Å; E88-K90 IonicContact OE1-NZ 3.37Å; E88-K90 PolarHBondContact OE1-NZ 2.82Å; E88-K90 WeakPolarHBondContact OE2-CE 3.46Å; E88-K90 IonicContact OE2-NZ 2.73Å; E88-K90 PolarHBondContact OE2-NZ 2.78Å; E88-F120 WeakPolarHBondContact O-CE1 3.33Å
89	K	94.7	Very high	94.7	Very high	87 Å²	87	88.6 Å²	88.6	38%	0.378	47%	0.467	S	S	.	.			trans	-88.5	111.5	173.6	-177.7	-170.5	178	-170.2	0	109.5	V115 N116 S118	K89-V115 HydrophobicContact CD-CG1 3.81Å; K89-N116 WeakPolarHBondContact CD-O 3.4Å; K89-N116 WeakPolarHBondContact CE-O 3.22Å; K89-N116 PolarHBondContact NZ-O 3.44Å; K89-S118 PolarHBondContact N-O 2.67Å
90	K	94	Very high	94.5	Very high	136 Å²	136	82.4 Å²	82.4	59%	0.591	45%	0.452	S	S	*	.	S	Bend	trans	-132.4	25.1	179.2	-92	168.4	157.7	146.4	0	111.9	E88 Q92	E88-K90 VanDerWaalsContact CD-CE 3.46Å; E88-K90 HydrophobicContact CG-CD 4.19Å; E88-K90 HydrophobicContact CG-CG 4.27Å; E88-K90 WeakPolarHBondContact OE1-CD 3.36Å; E88-K90 WeakPolarHBondContact OE1-CE 3.49Å; E88-K90 IonicContact OE1-NZ 3.37Å; E88-K90 PolarHBondContact OE1-NZ 2.82Å; E88-K90 WeakPolarHBondContact OE2-CE 3.46Å; E88-K90 IonicContact OE2-NZ 2.73Å; E88-K90 PolarHBondContact OE2-NZ 2.78Å; K90-Q92 VanDerWaalsContact CB-OE1 3.24Å
91	G	92.4	Very high	94.4	Very high	77 Å²	77	93 Å²	93	79%	0.794	49%	0.493	S	S	*	.	S	Bend	trans	87.5	13.4	179.4	0	0	0	0	0	115.4
92	Q	92	Very high	94.3	Very high	117 Å²	117	91.7 Å²	91.7	55%	0.547	48%	0.481	S	S	.	.			trans	-79.9	155.5	177.4	-58.4	80.9	1.3	0	0	112.5	K90	K90-Q92 VanDerWaalsContact CB-OE1 3.24Å
93	G	92.5	Very high	94.2	Very high	83 Å²	83	92.1 Å²	92.1	86%	0.856	48%	0.483	S	S	*	.			trans	-92.2	139.6	161.1	0	0	0	0	0	110.8
94	V	92.9	Very high	93.9	Very high	86 Å²	86	92.8 Å²	92.8	52%	0.521	50%	0.498	S	S	.	.			trans	-122.3	127.9	176.7	-178.6	0	0	0	0	108.6	F120	V94-F120 HydrophobicContact CB-CE2 4.42Å; V94-F120 HydrophobicContact CG1-CE2 4.19Å; V94-F120 HydrophobicContact CG2-CD2 4.37Å; V94-F120 HydrophobicContact CG2-CE1 4.06Å; V94-F120 HydrophobicContact CG2-CE2 3.82Å; V94-F120 HydrophobicContact CG2-CZ 3.65Å
95	N	93.9	Very high	93.6	Very high	154 Å²	154	95.7 Å²	95.7	82%	0.824	51%	0.513	S	S	*	.			trans	-116.2	127.1	173.1	-173	3.4	0	0	0	109.2
96	M	92.7	Very high	93.5	Very high	58 Å²	58	93 Å²	93	29%	0.286	50%	0.499	S	S	.	.			trans	-118	124.1	178.5	-175	-176	70.9	0	0	109	I85 D111 V122 S124	I85-M96 HydrophobicContact CD1-SD 4.13Å; M96-D111 WeakPolarHBondContact CE-OD1 3.4Å; M96-V122 HydrophobicContact CE-CG1 3.38Å; M96-V122 HydrophobicContact SD-CB 4.33Å; M96-V122 HydrophobicContact SD-CG1 3.54Å; M96-V122 VanDerWaalsContact SD-CG1 3.54Å; M96-S124 WeakPolarHBondContact CE-OG 3.49Å; M96-S124 PolarHBondContact SD-OG 3.01Å; M96-S124 VanDerWaalsContact SD-OG 3.34Å
97	A	93.2	Very high	93.5	Very high	94 Å²	94	92.8 Å²	92.8	78%	0.777	50%	0.498	S	S	*	.			trans	-124	153.9	175.1	0	0	0	0	0	110
98	R	92.1	Very high	93.5	Very high	95 Å²	95	94.8 Å²	94.8	36%	0.358	51%	0.506	S	S	.	.			trans	-132.1	148.7	175.8	51.3	161.9	171.8	-93.3	-2.8	110.3	C109 D111 F126	R98-C109 PolarHBondContact NE-SG 2.69Å; R98-C109 PolarHBondContact NH2-SG 3.06Å; R98-D111 IonicContact CZ-OD1 3.73Å; R98-D111 IonicContact CZ-OD2 3.18Å; R98-D111 IonicContact NH1-OD1 2.64Å; R98-D111 PolarHBondContact NH1-OD1 2.89Å; R98-D111 IonicContact NH1-OD2 2.82Å; R98-D111 PolarHBondContact NH1-OD2 2.87Å; R98-D111 IonicContact NH2-OD1 3.98Å; R98-D111 IonicContact NH2-OD2 2.69Å; R98-D111 PolarHBondContact NH2-OD2 3.28Å; R98-F126 HydrophobicContact CB-CE1 4.34Å; R98-F126 HydrophobicContact CB-CZ 4.25Å; R98-F126 HydrophobicContact CG-CE1 4.5Å
99	R	93.9	Very high	93.5	Very high	251 Å²	251	92.1 Å²	92.1	95%	0.947	50%	0.495	S	S	*	.			trans	-122.9	133.2	168.4	-67.7	-175.8	-71.7	-174.9	-2.5	107.7
100	C	91.1	Very high	93.6	Very high	56 Å²	56	88 Å²	88	38%	0.378	48%	0.477	S	S	.	.			trans	-133.9	138.7	-177.6	-57.2	0	0	0	0	109.4	W102	C100-W102 HydrophobicContact CB-CD2 3.67Å; C100-W102 VanDerWaalsContact CB-CE2 3.46Å; C100-W102 HydrophobicContact CB-CE3 4.35Å; C100-W102 HydrophobicContact CB-CG 3.88Å; C100-W102 HydrophobicContact CB-CZ2 3.99Å
101	Y	93.7	Very high	93.8	Very high	244 Å²	244	83.1 Å²	83.1	96%	0.957	46%	0.458	S	S	*	.			trans	-118.8	101.2	168.3	-174.9	-106.5	0	0	0	107.6
102	W	95.2	Very high	94	Very high	80 Å²	80	79.7 Å²	79.7	30%	0.303	42%	0.422	S	S	.	.	S	Bend	trans	-164.6	176.5	-164.8	65.3	-2.5	0	0	0	110.5	C100 S104 D107 N108 C109 F126 V128	C100-W102 HydrophobicContact CB-CD2 3.67Å; C100-W102 VanDerWaalsContact CB-CE2 3.46Å; C100-W102 HydrophobicContact CB-CE3 4.35Å; C100-W102 HydrophobicContact CB-CG 3.88Å; C100-W102 HydrophobicContact CB-CZ2 3.99Å; W102-S104 PolarHBondContact O-N 3.2Å; W102-D107 HydrophobicContact CB-CB 4.23Å; W102-D107 WeakPolarHBondContact CB-OD2 3.24Å; W102-D107 HydrophobicContact CD2-CB 3.61Å; W102-D107 HydrophobicContact CE3-CB 3.6Å; W102-D107 HydrophobicContact CG-CB 3.9Å; W102-D107 HydrophobicContact CZ3-CB 4.09Å; W102-N108 WeakPolarHBondContact CH2-O 3.45Å; W102-C109 HydrophobicContact CH2-CB 3.89Å; W102-C109 HydrophobicContact CZ2-CB 4.39Å; W102-F126 HydrophobicContact CH2-CB 4.38Å; W102-F126 AromaticContact CH2-CD1 3.64Å; W102-F126 HydrophobicContact CH2-CD1 3.64Å; W102-F126 HydrophobicContact CH2-CG 4.49Å; W102-F126 HydrophobicContact CZ3-CB 3.97Å; W102-F126 AromaticContact CZ3-CD1 3.78Å; W102-F126 HydrophobicContact CZ3-CD1 3.78Å; W102-F126 HydrophobicContact CZ3-CG 4.38Å; W102-V128 HydrophobicContact CE3-CG2 4.02Å; W102-V128 HydrophobicContact CZ3-CG2 4.15Å
103	D	94.2	Very high	94.2	Very high	38 Å²	38	78.1 Å²	78.1	20%	0.203	42%	0.424	C	S	.	.			trans	-76.1	110.1	-177.3	179.9	0.7	0	0	0	111.5	D105 N106 D107 Y131	D103-D105 PolarHBondContact O-N 3.09Å; D103-D105 WeakPolarHBondContact OD1-CB 3.49Å; D103-D105 PolarHBondContact OD1-N 2.89Å; D103-N106 PolarHBondContact O-N 2.83Å; D103-N106 WeakPolarHBondContact OD2-CB 3.37Å; D103-N106 PolarHBondContact OD2-ND2 3.21Å; D103-D107 PolarHBondContact N-OD2 2.6Å; D103-D107 WeakPolarHBondContact O-CA 3.32Å; D103-D107 WeakPolarHBondContact O-CB 3.38Å; D103-D107 PolarHBondContact O-N 3.26Å; D103-Y131 WeakPolarHBondContact CB-OH 3.42Å; D103-Y131 PolarHBondContact OD2-OH 3.21Å
104	S	92.2	Very high	94.4	Very high	105 Å²	105	75.6 Å²	75.6	73%	0.734	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.2	179.8	55.3	0	0	0	0	114.7	W102	W102-S104 PolarHBondContact O-N 3.2Å
105	D	91.6	Very high	94.6	Very high	83 Å²	83	75.5 Å²	75.5	44%	0.444	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-36.3	-179.3	-75.6	-7.8	0	0	0	111.6	K20 K26 D103	K20-D105 IonicContact NZ-OD2 3.88Å; K26-D105 VanDerWaalsContact CE-O 3.24Å; K26-D105 WeakPolarHBondContact CE-O 3.44Å; K26-D105 PolarHBondContact NZ-O 3.41Å; D103-D105 PolarHBondContact O-N 3.09Å; D103-D105 WeakPolarHBondContact OD1-CB 3.49Å; D103-D105 PolarHBondContact OD1-N 2.89Å
106	N	93.2	Very high	94.6	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.043	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-35.5	-165.1	-61.5	-38.1	0	0	0	113.2	I19 P21 Y78 D103 Y129	I19-N106 PolarHBondContact O-ND2 2.86Å; P21-N106 VanDerWaalsContact CD-CG 3.46Å; P21-N106 WeakPolarHBondContact CD-OD1 3.03Å; P21-N106 HydrophobicContact CG-CB 4.49Å; Y78-N106 VanDerWaalsContact CE1-O 3.31Å; Y78-N106 WeakPolarHBondContact CE1-O 3.42Å; Y78-N106 PolarHBondContact OH-O 2.96Å; D103-N106 PolarHBondContact O-N 2.83Å; D103-N106 WeakPolarHBondContact OD2-CB 3.37Å; D103-N106 PolarHBondContact OD2-ND2 3.21Å; N106-Y129 HydrophobicContact CB-CG 4.23Å
107	D	95.9	Very high	94.7	Very high	12 Å²	12	73.7 Å²	73.7	6%	0.064	38%	0.38	C	S	.	.			trans	-83	143.7	178.3	-57.3	-28.7	0	0	0	110.5	W102 D103 G127 V128 Y129	W102-D107 HydrophobicContact CB-CB 4.23Å; W102-D107 WeakPolarHBondContact CB-OD2 3.24Å; W102-D107 HydrophobicContact CD2-CB 3.61Å; W102-D107 HydrophobicContact CE3-CB 3.6Å; W102-D107 HydrophobicContact CG-CB 3.9Å; W102-D107 HydrophobicContact CZ3-CB 4.09Å; D103-D107 PolarHBondContact N-OD2 2.6Å; D103-D107 WeakPolarHBondContact O-CA 3.32Å; D103-D107 WeakPolarHBondContact O-CB 3.38Å; D103-D107 PolarHBondContact O-N 3.26Å; D107-G127 WeakPolarHBondContact CA-O 3.39Å; D107-V128 WeakPolarHBondContact OD1-CA 3.04Å; D107-Y129 WeakPolarHBondContact OD1-CB 3.5Å; D107-Y129 PolarHBondContact OD1-N 2.86Å
108	N	96.2	Very high	94.8	Very high	53 Å²	53	70.4 Å²	70.4	28%	0.283	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	169.6	-179	-149.7	-27.4	0	0	0	111.7	F27 P29 W102 G127	F27-N108 HydrophobicContact CB-CB 4.38Å; F27-N108 HydrophobicContact CD1-CB 3.6Å; F27-N108 HydrophobicContact CE1-CB 4.14Å; F27-N108 HydrophobicContact CG-CB 4.26Å; P29-N108 HydrophobicContact CG-CB 4.27Å; P29-N108 VanDerWaalsContact CG-ND2 3.25Å; P29-N108 WeakPolarHBondContact CG-ND2 3.31Å; P29-N108 WeakPolarHBondContact CG-OD1 3.2Å; W102-N108 WeakPolarHBondContact CH2-O 3.45Å; N108-G127 PolarHBondContact N-O 2.7Å; N108-G127 PolarHBondContact O-N 3.03Å
109	C	96.6	Very high	95	Very high	17 Å²	17	65.9 Å²	65.9	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.4	-175.9	44.3	0	0	0	0	111.6	P29 R98 W102 V125 F126	P29-C109 WeakPolarHBondContact CB-O 3.35Å; R98-C109 PolarHBondContact NE-SG 2.69Å; R98-C109 PolarHBondContact NH2-SG 3.06Å; W102-C109 HydrophobicContact CH2-CB 3.89Å; W102-C109 HydrophobicContact CZ2-CB 4.39Å; C109-V125 CarbonylContact C-O 3.52Å; C109-V125 WeakPolarHBondContact CA-O 3.41Å; C109-V125 WeakPolarHBondContact CB-O 3.15Å; C109-F126 HydrophobicContact CB-CD1 4.04Å; C109-F126 HydrophobicContact CB-CE1 4.37Å
110	A	97	Very high	95.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.2	173.4	0	0	0	0	0	109.7	F27 P29 V32 R33 V125	F27-A110 HydrophobicContact CE1-CB 4.35Å; F27-A110 HydrophobicContact CZ-CB 4.39Å; P29-A110 HydrophobicContact CB-CB 4.26Å; P29-A110 WeakPolarHBondContact O-CB 3.46Å; V32-A110 HydrophobicContact CB-CB 3.8Å; V32-A110 HydrophobicContact CG1-CB 3.56Å; R33-A110 HydrophobicContact CB-CB 4.48Å; A110-V125 PolarHBondContact N-O 3.32Å; A110-V125 PolarHBondContact O-N 2.84Å
111	D	96.7	Very high	95.4	Very high	35 Å²	35	53.2 Å²	53.2	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.2	177.7	-54.5	-73.2	0	0	0	109.8	R33 M96 R98 A123 S124	R33-D111 PolarHBondContact NE-O 2.81Å; R33-D111 PolarHBondContact NH2-O 3.33Å; M96-D111 WeakPolarHBondContact CE-OD1 3.4Å; R98-D111 IonicContact CZ-OD1 3.73Å; R98-D111 IonicContact CZ-OD2 3.18Å; R98-D111 IonicContact NH1-OD1 2.64Å; R98-D111 PolarHBondContact NH1-OD1 2.89Å; R98-D111 IonicContact NH1-OD2 2.82Å; R98-D111 PolarHBondContact NH1-OD2 2.87Å; R98-D111 IonicContact NH2-OD1 3.98Å; R98-D111 IonicContact NH2-OD2 2.69Å; R98-D111 PolarHBondContact NH2-OD2 3.28Å; D111-A123 WeakPolarHBondContact CA-O 3.22Å; D111-S124 PolarHBondContact OD1-OG 3.2Å
112	A	97.2	Very high	95.5	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.9	167.8	0	0	0	0	0	108.9	I36 S37 L40 A123	I36-A112 HydrophobicContact CB-CB 3.87Å; I36-A112 HydrophobicContact CG2-CB 3.63Å; S37-A112 WeakPolarHBondContact OG-CB 3.35Å; L40-A112 HydrophobicContact CD1-CB 4.07Å; A112-A123 PolarHBondContact N-O 3.02Å; A112-A123 PolarHBondContact O-N 2.68Å
113	S	96.6	Very high	95.6	Very high	84 Å²	84	39 Å²	39	59%	0.587	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.4	172.8	57.1	0	0	0	0	110.3	C121	S113-C121 CarbonylContact C-O 3.6Å; S113-C121 VanDerWaalsContact CA-O 3.23Å; S113-C121 WeakPolarHBondContact CA-O 3.09Å
114	F	97	Very high	95.8	Very high	30 Å²	30	37.2 Å²	37.2	13%	0.132	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.9	174.8	177.8	-94.2	0	0	0	108.7	L40 K41 L44 E45 N116 F120 C121	L40-F114 HydrophobicContact CB-CB 3.8Å; L40-F114 HydrophobicContact CB-CG 4.36Å; L40-F114 HydrophobicContact CD1-CB 4.11Å; K41-F114 HydrophobicContact CB-CD2 4.28Å; K41-F114 HydrophobicContact CB-CE2 4.17Å; K41-F114 HydrophobicContact CG-CE2 4.17Å; L44-F114 HydrophobicContact CB-CD1 3.51Å; L44-F114 HydrophobicContact CB-CE1 3.47Å; L44-F114 VanDerWaalsContact CB-CE1 3.47Å; L44-F114 HydrophobicContact CB-CG 4.44Å; L44-F114 HydrophobicContact CB-CZ 4.4Å; L44-F114 HydrophobicContact CD1-CD1 3.99Å; L44-F114 HydrophobicContact CG-CD1 4.41Å; L44-F114 WeakPolarHBondContact O-CE1 3.17Å; E45-F114 HydrophobicContact CB-CZ 4.13Å; F114-N116 HydrophobicContact CE1-CB 3.78Å; F114-N116 HydrophobicContact CZ-CB 4.08Å; F114-F120 CarbonylContact O-C 3.43Å; F114-F120 WeakPolarHBondContact O-CA 2.95Å; F114-C121 PolarHBondContact N-O 2.74Å; F114-C121 PolarHBondContact O-N 2.72Å
115	V	96	Very high	96.1	Very high	84 Å²	84	32.2 Å²	32.2	51%	0.509	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129.7	179.4	-177.1	0	0	0	0	107.8	K89 F120	K89-V115 HydrophobicContact CD-CG1 3.81Å; V115-F120 HydrophobicContact CG2-CB 4.04Å
116	N	94.8	Very high	96.3	Very high	20 Å²	20	29.3 Å²	29.3	11%	0.107	17%	0.167	C	C	.	.			trans	-116.6	-157.8	169.8	71.1	18.6	0	0	0	109.8	L44 E47 K89 F114 S118 L119	L44-N116 PolarHBondContact O-ND2 3.45Å; E47-N116 PolarHBondContact O-ND2 3.02Å; K89-N116 WeakPolarHBondContact CD-O 3.4Å; K89-N116 WeakPolarHBondContact CE-O 3.22Å; K89-N116 PolarHBondContact NZ-O 3.44Å; F114-N116 HydrophobicContact CE1-CB 3.78Å; F114-N116 HydrophobicContact CZ-CB 4.08Å; N116-S118 PolarHBondContact OD1-N 3.45Å; N116-S118 PolarHBondContact OD1-OG 2.52Å; N116-L119 PolarHBondContact N-O 3.15Å; N116-L119 PolarHBondContact OD1-N 2.83Å; N116-L119 PolarHBondContact OD1-O 3.42Å
117	D	94.1	Very high	96.5	Very high	153 Å²	153	28.9 Å²	28.9	82%	0.818	17%	0.165	S	C	*	.	S	Bend	trans	-77.1	-25.6	-180	-68.3	-29.1	0	0	0	114.2
118	S	95.4	Very high	96.5	Very high	26 Å²	26	30.9 Å²	30.9	18%	0.182	18%	0.177	C	C	.	.	S	Bend	trans	-109.9	-29.7	-173.6	73.9	0	0	0	0	114.7	E47 V48 Y49 K89 N116	E47-S118 PolarHBondContact O-OG 3.19Å; V48-S118 WeakPolarHBondContact CA-OG 3.31Å; Y49-S118 PolarHBondContact N-OG 3.43Å; K89-S118 PolarHBondContact N-O 2.67Å; N116-S118 PolarHBondContact OD1-N 3.45Å; N116-S118 PolarHBondContact OD1-OG 2.52Å
119	L	96.4	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.8	-173.4	64.1	81.7	0	0	0	112.9	L44 E47 Y49 I86 G87 N116	L44-L119 HydrophobicContact CB-CD1 4.37Å; L44-L119 HydrophobicContact CD1-CD1 4.32Å; E47-L119 HydrophobicContact CB-CD2 4.39Å; Y49-L119 HydrophobicContact CD2-CB 4.23Å; I86-L119 HydrophobicContact CG2-CD2 4.36Å; G87-L119 CarbonylContact O-C 3.53Å; G87-L119 WeakPolarHBondContact O-CA 3.33Å; G87-L119 VanDerWaalsContact O-CB 3.31Å; G87-L119 WeakPolarHBondContact O-CB 3.4Å; N116-L119 PolarHBondContact N-O 3.15Å; N116-L119 PolarHBondContact OD1-N 2.83Å; N116-L119 PolarHBondContact OD1-O 3.42Å
120	F	95.9	Very high	96.2	Very high	41 Å²	41	31 Å²	31	18%	0.18	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.9	162.4	70	-88.2	0	0	0	109.3	I86 G87 E88 V94 F114 V115 V122	I86-F120 WeakPolarHBondContact CA-O 3.1Å; G87-F120 PolarHBondContact N-O 2.79Å; G87-F120 VanDerWaalsContact O-CD1 3.28Å; G87-F120 WeakPolarHBondContact O-CD1 3.25Å; G87-F120 PolarHBondContact O-N 3.38Å; E88-F120 WeakPolarHBondContact O-CE1 3.33Å; V94-F120 HydrophobicContact CB-CE2 4.42Å; V94-F120 HydrophobicContact CG1-CE2 4.19Å; V94-F120 HydrophobicContact CG2-CD2 4.37Å; V94-F120 HydrophobicContact CG2-CE1 4.06Å; V94-F120 HydrophobicContact CG2-CE2 3.82Å; V94-F120 HydrophobicContact CG2-CZ 3.65Å; F114-F120 CarbonylContact O-C 3.43Å; F114-F120 WeakPolarHBondContact O-CA 2.95Å; V115-F120 HydrophobicContact CG2-CB 4.04Å; F120-V122 HydrophobicContact CD2-CG2 4.37Å
121	C	96.9	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.2	173.5	178.1	0	0	0	0	109.9	L44 I85 I86 S113 F114	L44-C121 HydrophobicContact CD1-CB 3.29Å; I85-C121 CarbonylContact O-C 3.47Å; I85-C121 VanDerWaalsContact O-CA 3.22Å; I85-C121 WeakPolarHBondContact O-CA 3.44Å; I86-C121 HydrophobicContact CG1-CB 4.07Å; S113-C121 CarbonylContact C-O 3.6Å; S113-C121 VanDerWaalsContact CA-O 3.23Å; S113-C121 WeakPolarHBondContact CA-O 3.09Å; F114-C121 PolarHBondContact N-O 2.74Å; F114-C121 PolarHBondContact O-N 2.72Å
122	V	96.9	Very high	95.8	Very high	24 Å²	24	38 Å²	38	15%	0.145	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.6	171.6	-171.3	0	0	0	0	108.4	I85 M96 F120	I85-V122 PolarHBondContact N-O 2.71Å; I85-V122 PolarHBondContact O-N 3.17Å; M96-V122 HydrophobicContact CE-CG1 3.38Å; M96-V122 HydrophobicContact SD-CB 4.33Å; M96-V122 HydrophobicContact SD-CG1 3.54Å; M96-V122 VanDerWaalsContact SD-CG1 3.54Å; F120-V122 HydrophobicContact CD2-CG2 4.37Å
123	A	97.7	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.6	177.1	0	0	0	0	0	110.1	I36 L40 I65 Q83 V84 D111 A112	I36-A123 HydrophobicContact CG2-CB 3.74Å; L40-A123 HydrophobicContact CD1-CB 4.18Å; L40-A123 HydrophobicContact CD2-CB 4.41Å; I65-A123 HydrophobicContact CD1-CB 4.02Å; Q83-A123 CarbonylContact O-C 3.55Å; Q83-A123 VanDerWaalsContact O-CA 3.3Å; Q83-A123 WeakPolarHBondContact O-CA 3.33Å; V84-A123 HydrophobicContact CG2-CB 4.32Å; D111-A123 WeakPolarHBondContact CA-O 3.22Å; A112-A123 PolarHBondContact N-O 3.02Å; A112-A123 PolarHBondContact O-N 2.68Å
124	S	97.6	Very high	95.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.4	172.7	-55.7	0	0	0	0	109.7	I82 Q83 M96 D111	I82-S124 CarbonylContact C-O 3.53Å; I82-S124 WeakPolarHBondContact CA-O 3.42Å; Q83-S124 PolarHBondContact N-O 3.44Å; Q83-S124 PolarHBondContact O-N 2.95Å; M96-S124 WeakPolarHBondContact CE-OG 3.49Å; M96-S124 PolarHBondContact SD-OG 3.01Å; M96-S124 VanDerWaalsContact SD-OG 3.34Å; D111-S124 PolarHBondContact OD1-OG 3.2Å
125	V	97.9	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.1	174.2	174.3	0	0	0	0	109.7	F27 V32 I36 I65 L69 Y80 I82 C109 A110	F27-V125 HydrophobicContact CE2-CG1 4.24Å; F27-V125 HydrophobicContact CZ-CG1 4.2Å; V32-V125 HydrophobicContact CG1-CB 4.09Å; V32-V125 HydrophobicContact CG1-CG1 4.02Å; I36-V125 HydrophobicContact CD1-CB 3.94Å; I36-V125 HydrophobicContact CD1-CG2 3.35Å; I36-V125 HydrophobicContact CG1-CG2 4.22Å; I65-V125 HydrophobicContact CG2-CG2 3.73Å; L69-V125 HydrophobicContact CD1-CB 4.42Å; L69-V125 HydrophobicContact CD1-CG1 3.55Å; L69-V125 HydrophobicContact CD1-CG2 4.12Å; Y80-V125 HydrophobicContact CD1-CG1 4.22Å; I82-V125 HydrophobicContact CB-CG2 4.47Å; I82-V125 HydrophobicContact CG1-CG2 3.97Å; I82-V125 HydrophobicContact CG2-CG2 4.08Å; C109-V125 CarbonylContact C-O 3.52Å; C109-V125 WeakPolarHBondContact CA-O 3.41Å; C109-V125 WeakPolarHBondContact CB-O 3.15Å; A110-V125 PolarHBondContact N-O 3.32Å; A110-V125 PolarHBondContact O-N 2.84Å
126	F	97.4	Very high	95.6	Very high	21 Å²	21	34.8 Å²	34.8	9%	0.092	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.2	178.5	-59	-96.7	0	0	0	108.4	Y80 L81 R98 W102 C109	Y80-F126 WeakPolarHBondContact CA-O 3.45Å; L81-F126 HydrophobicContact CB-CB 4.19Å; L81-F126 HydrophobicContact CD2-CB 4.42Å; L81-F126 HydrophobicContact CD2-CD2 3.36Å; L81-F126 HydrophobicContact CD2-CE2 3.83Å; L81-F126 HydrophobicContact CD2-CG 4.11Å; L81-F126 PolarHBondContact N-O 3.25Å; L81-F126 PolarHBondContact O-N 3.25Å; R98-F126 HydrophobicContact CB-CE1 4.34Å; R98-F126 HydrophobicContact CB-CZ 4.25Å; R98-F126 HydrophobicContact CG-CE1 4.5Å; W102-F126 HydrophobicContact CH2-CB 4.38Å; W102-F126 AromaticContact CH2-CD1 3.64Å; W102-F126 HydrophobicContact CH2-CD1 3.64Å; W102-F126 HydrophobicContact CH2-CG 4.49Å; W102-F126 HydrophobicContact CZ3-CB 3.97Å; W102-F126 AromaticContact CZ3-CD1 3.78Å; W102-F126 HydrophobicContact CZ3-CD1 3.78Å; W102-F126 HydrophobicContact CZ3-CG 4.38Å; C109-F126 HydrophobicContact CB-CD1 4.04Å; C109-F126 HydrophobicContact CB-CE1 4.37Å
127	G	96.8	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113	171.3	0	0	0	0	0	109.9	D107 N108	D107-G127 WeakPolarHBondContact CA-O 3.39Å; N108-G127 PolarHBondContact N-O 2.7Å; N108-G127 PolarHBondContact O-N 3.03Å
128	V	96.2	Very high	95.8	Very high	54 Å²	54	27.4 Å²	27.4	33%	0.327	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.7	178.6	-174.8	0	0	0	0	109.5	Y78 R79 W102 D107	Y78-V128 WeakPolarHBondContact CA-O 3.37Å; R79-V128 PolarHBondContact N-O 2.81Å; R79-V128 PolarHBondContact O-N 3.34Å; W102-V128 HydrophobicContact CE3-CG2 4.02Å; W102-V128 HydrophobicContact CZ3-CG2 4.15Å; D107-V128 WeakPolarHBondContact OD1-CA 3.04Å
129	Y	95.2	Very high	95.8	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	139.5	177.9	-171.3	-104.1	0	0	0	110.7	I18 P21 R77 Y78 N106 D107 Y131	I18-Y129 WeakPolarHBondContact CG2-OH 3.13Å; I18-Y129 WeakPolarHBondContact O-CE1 3.48Å; I18-Y129 PolarHBondContact O-OH 2.91Å; P21-Y129 HydrophobicContact CB-CD2 4.28Å; P21-Y129 HydrophobicContact CB-CE2 3.8Å; P21-Y129 HydrophobicContact CG-CD2 4.44Å; P21-Y129 HydrophobicContact CG-CE2 4.31Å; R77-Y129 HydrophobicContact CB-CD2 4Å; R77-Y129 HydrophobicContact CB-CE2 3.51Å; R77-Y129 WeakPolarHBondContact CD-OH 3.39Å; R77-Y129 HydrophobicContact CG-CE2 4.35Å; R77-Y129 CarbonylContact O-C 3.57Å; Y78-Y129 HydrophobicContact CD2-CD2 4.05Å; Y78-Y129 HydrophobicContact CE1-CD2 4.45Å; Y78-Y129 AromaticContact CE2-CD2 3.61Å; Y78-Y129 HydrophobicContact CE2-CD2 3.61Å; Y78-Y129 HydrophobicContact CE2-CE2 4.33Å; Y78-Y129 AromaticContact CZ-CD2 3.85Å; N106-Y129 HydrophobicContact CB-CG 4.23Å; D107-Y129 WeakPolarHBondContact OD1-CB 3.5Å; D107-Y129 PolarHBondContact OD1-N 2.86Å; Y129-Y131 AromaticContact CD1-CD1 3.87Å; Y129-Y131 HydrophobicContact CD1-CD1 3.87Å; Y129-Y131 HydrophobicContact CD1-CD2 4.38Å; Y129-Y131 AromaticContact CD1-CE1 3.79Å; Y129-Y131 HydrophobicContact CD1-CE1 3.79Å; Y129-Y131 HydrophobicContact CD1-CE2 4.3Å; Y129-Y131 HydrophobicContact CD1-CG 4.18Å; Y129-Y131 AromaticContact CE1-CD1 3.82Å; Y129-Y131 HydrophobicContact CE1-CD1 3.82Å; Y129-Y131 HydrophobicContact CE1-CE1 4.06Å; Y129-Y131 HydrophobicContact CE1-CG 4.3Å
130	T	91.5	Very high	95.8	Very high	63 Å²	63	29.8 Å²	29.8	39%	0.387	15%	0.145	S	C	.	.			trans	-110.3	115.5	177.8	-51.9	0	0	0	0	108.3	R77	R77-T130 PolarHBondContact NH1-O 3.19Å; R77-T130 WeakPolarHBondContact O-CB 3.41Å; R77-T130 PolarHBondContact O-N 2.99Å; R77-T130 PolarHBondContact O-OG1 3.05Å
131	Y	89	Confident	95.7	Very high	143 Å²	143	28.7 Å²	28.7	56%	0.561	14%	0.142	S	C	*	.			trans	-74.3	0	179.9	-58.6	-87.9	0	0	0	112	R77 D103 Y129	R77-Y131 PolarHBondContact NH1-OXT 3.19Å; D103-Y131 WeakPolarHBondContact CB-OH 3.42Å; D103-Y131 PolarHBondContact OD2-OH 3.21Å; Y129-Y131 AromaticContact CD1-CD1 3.87Å; Y129-Y131 HydrophobicContact CD1-CD1 3.87Å; Y129-Y131 HydrophobicContact CD1-CD2 4.38Å; Y129-Y131 AromaticContact CD1-CE1 3.79Å; Y129-Y131 HydrophobicContact CD1-CE1 3.79Å; Y129-Y131 HydrophobicContact CD1-CE2 4.3Å; Y129-Y131 HydrophobicContact CD1-CG 4.18Å; Y129-Y131 AromaticContact CE1-CD1 3.82Å; Y129-Y131 HydrophobicContact CE1-CD1 3.82Å; Y129-Y131 HydrophobicContact CE1-CE1 4.06Å; Y129-Y131 HydrophobicContact CE1-CG 4.3Å

Retrieved 131 of 131 residues in 24.9 ms (Link to these results)

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