Q15ES6_SCHMA Loading...

CDGSH iron-sulfur domain-containing protein 2 homologue

AlphaFold DB , UniProt , Accession Q15ES6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 aa.

						>Q15ES6_SCHMA|Q15ES6
MNVLHTIVCDIAPDMLRSVPIPKSFRDIFRLSLKDVLALTVFGSFSGAIGYAVYTTVMLHLGKRKIPINYGIQKHITKCVDVVDIESITDKKVYCRCWRSSKFPYCDGAHNKHNEETGDNVGPLIIETKKSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63.2	Low	85.5	Confident	212 Å²	212	101.5 Å²	101.5	100%	1.044	55%	0.546	S	S	*	.				0	121.5	0	-69	166.6	65.7	0	0	107.4	V3	M1-V3 PolarHBondContact O-N 3.18Å; M1-V3 VanDerWaalsContact O-N 3.1Å
2	N	85.2	Confident	85.2	Confident	131 Å²	131	96.3 Å²	96.3	70%	0.701	53%	0.527	S	S	*	.			trans	-69.9	108.6	177.7	-90.4	-21	0	0	0	108.2	L4 H5 T6	N2-L4 PolarHBondContact O-N 2.61Å; N2-L4 VanDerWaalsContact O-N 3.09Å; N2-H5 HydrophobicContact CB-CB 3.9Å; N2-H5 WeakPolarHBondContact O-CA 3.41Å; N2-H5 WeakPolarHBondContact O-CB 3.36Å; N2-H5 PolarHBondContact O-N 3.15Å; N2-T6 PolarHBondContact O-N 3.07Å; N2-T6 VanDerWaalsContact O-N 3.15Å
3	V	89.7	Confident	85.3	Confident	108 Å²	108	92.1 Å²	92.1	66%	0.655	51%	0.507	S	S	*	.	H	α-helix	trans	-48.5	-39.6	177.2	176.6	0	0	0	0	110.8	M1 H5 T6 I7	M1-V3 PolarHBondContact O-N 3.18Å; M1-V3 VanDerWaalsContact O-N 3.1Å; V3-H5 PolarHBondContact O-N 3.45Å; V3-T6 PolarHBondContact O-N 3.1Å; V3-I7 HydrophobicContact CG1-CD1 3.84Å; V3-I7 HydrophobicContact CG1-CG1 4.47Å; V3-I7 WeakPolarHBondContact O-CG1 3.16Å; V3-I7 PolarHBondContact O-N 3.04Å
4	L	88.4	Confident	85.2	Confident	128 Å²	128	92.4 Å²	92.4	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-42.5	175.7	-174.9	66.3	0	0	0	113.1	N2 I7 V8	N2-L4 PolarHBondContact O-N 2.61Å; N2-L4 VanDerWaalsContact O-N 3.09Å; L4-I7 PolarHBondContact O-N 3.43Å; L4-V8 HydrophobicContact CD1-CG2 3.99Å; L4-V8 HydrophobicContact CG-CG2 4.32Å; L4-V8 WeakPolarHBondContact O-CB 3.49Å; L4-V8 VanDerWaalsContact O-CG2 3.25Å; L4-V8 WeakPolarHBondContact O-CG2 3.39Å; L4-V8 PolarHBondContact O-N 3.2Å
5	H	91.2	Very high	84.7	Confident	107 Å²	107	93.7 Å²	93.7	50%	0.495	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-44.3	177	-177.7	-75.2	0	0	0	110.8	N2 V3 I7 V8 C9	N2-H5 HydrophobicContact CB-CB 3.9Å; N2-H5 WeakPolarHBondContact O-CA 3.41Å; N2-H5 WeakPolarHBondContact O-CB 3.36Å; N2-H5 PolarHBondContact O-N 3.15Å; V3-H5 PolarHBondContact O-N 3.45Å; H5-I7 PolarHBondContact O-N 3.3Å; H5-V8 PolarHBondContact O-N 3.16Å; H5-C9 VanDerWaalsContact O-CB 3.23Å; H5-C9 WeakPolarHBondContact O-CB 3.08Å; H5-C9 PolarHBondContact O-N 3.14Å
6	T	89.5	Confident	84.6	Confident	39 Å²	39	94.3 Å²	94.3	24%	0.239	51%	0.513	C	S	.	.	I	π-helix	trans	-64	-40.6	178.4	-59.3	0	0	0	0	112.1	N2 V3 D10 I11	N2-T6 PolarHBondContact O-N 3.07Å; N2-T6 VanDerWaalsContact O-N 3.15Å; V3-T6 PolarHBondContact O-N 3.1Å; T6-D10 WeakPolarHBondContact CA-OD2 3.21Å; T6-D10 HydrophobicContact CG2-CB 4.47Å; T6-D10 WeakPolarHBondContact O-CB 3.49Å; T6-D10 PolarHBondContact O-N 3.48Å; T6-I11 HydrophobicContact CG2-CD1 4.29Å; T6-I11 HydrophobicContact CG2-CG1 4.46Å; T6-I11 PolarHBondContact O-N 3.43Å
7	I	85.2	Confident	84.6	Confident	87 Å²	87	100.8 Å²	100.8	45%	0.446	53%	0.528	S	S	.	.	I	π-helix	trans	-63.9	-47.4	176	-68.1	168.5	0	0	0	111	V3 L4 H5 I11 A12	V3-I7 HydrophobicContact CG1-CD1 3.84Å; V3-I7 HydrophobicContact CG1-CG1 4.47Å; V3-I7 WeakPolarHBondContact O-CG1 3.16Å; V3-I7 PolarHBondContact O-N 3.04Å; L4-I7 PolarHBondContact O-N 3.43Å; H5-I7 PolarHBondContact O-N 3.3Å; I7-I11 HydrophobicContact CG1-CD1 4.47Å; I7-A12 VanDerWaalsContact O-CB 3.29Å; I7-A12 WeakPolarHBondContact O-CB 3.45Å; I7-A12 PolarHBondContact O-N 3.05Å
8	V	87.1	Confident	84.4	Confident	84 Å²	84	99.9 Å²	99.9	51%	0.509	53%	0.532	S	S	.	.	I	π-helix	trans	-79	-41.6	-171.4	174	0	0	0	0	112.7	L4 H5 P13	L4-V8 HydrophobicContact CD1-CG2 3.99Å; L4-V8 HydrophobicContact CG-CG2 4.32Å; L4-V8 WeakPolarHBondContact O-CB 3.49Å; L4-V8 VanDerWaalsContact O-CG2 3.25Å; L4-V8 WeakPolarHBondContact O-CG2 3.39Å; L4-V8 PolarHBondContact O-N 3.2Å; H5-V8 PolarHBondContact O-N 3.16Å; V8-P13 VanDerWaalsContact O-CD 3.3Å; V8-P13 WeakPolarHBondContact O-CD 3.3Å
9	C	89.6	Confident	84.4	Confident	62 Å²	62	95.7 Å²	95.7	42%	0.419	51%	0.51	S	S	.	.	I	π-helix	trans	-94.1	-28.7	-172.2	-61.5	0	0	0	0	113.5	H5 P13	H5-C9 VanDerWaalsContact O-CB 3.23Å; H5-C9 WeakPolarHBondContact O-CB 3.08Å; H5-C9 PolarHBondContact O-N 3.14Å; C9-P13 WeakPolarHBondContact O-CG 3.45Å
10	D	88.3	Confident	84.2	Confident	75 Å²	75	92.4 Å²	92.4	40%	0.401	49%	0.494	S	S	.	.	I	π-helix	trans	-108.4	-60.3	-173.1	-48	-35.8	0	0	0	110.2	T6 D14	T6-D10 WeakPolarHBondContact CA-OD2 3.21Å; T6-D10 HydrophobicContact CG2-CB 4.47Å; T6-D10 WeakPolarHBondContact O-CB 3.49Å; T6-D10 PolarHBondContact O-N 3.48Å; D10-D14 WeakPolarHBondContact O-CB 3.46Å; D10-D14 PolarHBondContact O-N 3.46Å
11	I	82.8	Confident	84.1	Confident	84 Å²	84	93.3 Å²	93.3	43%	0.431	50%	0.498	S	S	.	.	I	π-helix	trans	-70.3	-49.6	-172.6	-60.7	173.6	0	0	0	111.9	T6 I7 D14 M15	T6-I11 HydrophobicContact CG2-CD1 4.29Å; T6-I11 HydrophobicContact CG2-CG1 4.46Å; T6-I11 PolarHBondContact O-N 3.43Å; I7-I11 HydrophobicContact CG1-CD1 4.47Å; I11-D14 PolarHBondContact O-N 2.68Å; I11-M15 HydrophobicContact CG2-CG 4.12Å; I11-M15 HydrophobicContact CG2-SD 3.8Å; I11-M15 WeakPolarHBondContact O-CB 3.42Å; I11-M15 WeakPolarHBondContact O-CG 3.47Å; I11-M15 PolarHBondContact O-N 3.44Å
12	A	82.9	Confident	85	Confident	38 Å²	38	85 Å²	85	31%	0.314	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-46.9	-174.5	0	0	0	0	0	112.9	I7 D14 M15 L16	I7-A12 VanDerWaalsContact O-CB 3.29Å; I7-A12 WeakPolarHBondContact O-CB 3.45Å; I7-A12 PolarHBondContact O-N 3.05Å; A12-D14 VanDerWaalsContact C-N 3.33Å; A12-D14 PolarHBondContact O-N 2.77Å; A12-M15 PolarHBondContact O-N 3.4Å; A12-L16 WeakPolarHBondContact O-CB 3.11Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 3.39Å
13	P	85.7	Confident	84.9	Confident	42 Å²	42	88.2 Å²	88.2	27%	0.273	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-38.2	177.6	-25.9	38.8	0	0	0	112.8	V8 C9 L16 R17	V8-P13 VanDerWaalsContact O-CD 3.3Å; V8-P13 WeakPolarHBondContact O-CD 3.3Å; C9-P13 WeakPolarHBondContact O-CG 3.45Å; P13-L16 PolarHBondContact O-N 2.86Å; P13-R17 WeakPolarHBondContact O-CB 3.4Å; P13-R17 WeakPolarHBondContact O-CG 3.43Å; P13-R17 PolarHBondContact O-N 2.64Å
14	D	84.5	Confident	84.7	Confident	96 Å²	96	86.4 Å²	86.4	51%	0.513	46%	0.46	S	S	.	.	H	α-helix	trans	-69.5	-40.3	178.2	-74.9	-12.2	0	0	0	112.1	D10 I11 A12 R17 S18	D10-D14 WeakPolarHBondContact O-CB 3.46Å; D10-D14 PolarHBondContact O-N 3.46Å; I11-D14 PolarHBondContact O-N 2.68Å; A12-D14 VanDerWaalsContact C-N 3.33Å; A12-D14 PolarHBondContact O-N 2.77Å; D14-R17 PolarHBondContact O-N 2.75Å; D14-S18 WeakPolarHBondContact O-CB 3.42Å; D14-S18 PolarHBondContact O-N 2.82Å; D14-S18 VanDerWaalsContact O-N 3.13Å; D14-S18 PolarHBondContact O-OG 3.1Å
15	M	77.9	Confident	84.4	Confident	113 Å²	113	89.1 Å²	89.1	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-61.5	-43.8	171	-75.6	-172.2	73	0	0	111.7	I11 A12 S18 V19	I11-M15 HydrophobicContact CG2-CG 4.12Å; I11-M15 HydrophobicContact CG2-SD 3.8Å; I11-M15 WeakPolarHBondContact O-CB 3.42Å; I11-M15 WeakPolarHBondContact O-CG 3.47Å; I11-M15 PolarHBondContact O-N 3.44Å; A12-M15 PolarHBondContact O-N 3.4Å; M15-S18 PolarHBondContact O-N 3.47Å; M15-S18 PolarHBondContact O-OG 2.58Å; M15-V19 WeakPolarHBondContact O-CG2 3.45Å
16	L	83	Confident	84	Confident	103 Å²	103	94.1 Å²	94.1	54%	0.539	48%	0.481	S	S	.	.	H	α-helix	trans	-67	-37.6	179.3	-71.1	173.7	0	0	0	112.6	A12 P13 S18 V19 F42	A12-L16 WeakPolarHBondContact O-CB 3.11Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 3.39Å; P13-L16 PolarHBondContact O-N 2.86Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.84Å; L16-V19 WeakPolarHBondContact O-CG2 3.17Å; L16-V19 PolarHBondContact O-N 2.8Å; L16-F42 HydrophobicContact CD2-CD2 4.1Å; L16-F42 HydrophobicContact CD2-CE2 3.38Å; L16-F42 HydrophobicContact CD2-CZ 4.24Å
17	R	84.2	Confident	83.6	Confident	205 Å²	205	94.8 Å²	94.8	77%	0.774	48%	0.483	S	S	*	.	H	α-helix	trans	-68.8	-28.4	177.1	-77	171.4	178.5	-179.2	0.3	113.1	P13 D14	P13-R17 WeakPolarHBondContact O-CB 3.4Å; P13-R17 WeakPolarHBondContact O-CG 3.43Å; P13-R17 PolarHBondContact O-N 2.64Å; D14-R17 PolarHBondContact O-N 2.75Å
18	S	81.4	Confident	83.3	Confident	85 Å²	85	94.5 Å²	94.5	59%	0.594	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.9	-178.8	54.6	0	0	0	0	114	D14 M15 L16 P20	D14-S18 WeakPolarHBondContact O-CB 3.42Å; D14-S18 PolarHBondContact O-N 2.82Å; D14-S18 VanDerWaalsContact O-N 3.13Å; D14-S18 PolarHBondContact O-OG 3.1Å; M15-S18 PolarHBondContact O-N 3.47Å; M15-S18 PolarHBondContact O-OG 2.58Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.84Å; S18-P20 WeakPolarHBondContact O-CD 3.48Å
19	V	83.2	Confident	83	Confident	20 Å²	20	99.4 Å²	99.4	12%	0.121	50%	0.496	C	S	.	.			trans	-66.9	121	177.6	-175.2	0	0	0	0	110	M15 L16 I21 L39 F42	M15-V19 WeakPolarHBondContact O-CG2 3.45Å; L16-V19 WeakPolarHBondContact O-CG2 3.17Å; L16-V19 PolarHBondContact O-N 2.8Å; V19-I21 VanDerWaalsContact C-N 3.27Å; V19-I21 HydrophobicContact CB-CG1 4.13Å; V19-I21 HydrophobicContact CG1-CD1 4.29Å; V19-I21 HydrophobicContact CG1-CG1 3.59Å; V19-I21 PolarHBondContact O-N 2.76Å; V19-L39 HydrophobicContact CG1-CD1 4.04Å; V19-F42 HydrophobicContact CB-CD1 4.42Å; V19-F42 HydrophobicContact CB-CG 4.31Å; V19-F42 HydrophobicContact CG1-CB 3.94Å; V19-F42 HydrophobicContact CG1-CD1 3.49Å; V19-F42 VanDerWaalsContact CG1-CD1 3.49Å; V19-F42 HydrophobicContact CG1-CD2 4.49Å; V19-F42 HydrophobicContact CG1-CE1 4.11Å; V19-F42 HydrophobicContact CG1-CG 3.7Å; V19-F42 HydrophobicContact CG2-CB 3.91Å; V19-F42 HydrophobicContact CG2-CD1 4.09Å; V19-F42 HydrophobicContact CG2-CD2 3.58Å; V19-F42 HydrophobicContact CG2-CE2 4.13Å; V19-F42 HydrophobicContact CG2-CG 3.56Å
20	P	80.3	Confident	82.7	Confident	29 Å²	29	106.4 Å²	106.4	19%	0.188	51%	0.514	C	S	.	.			trans	-81	76	179.6	32.5	-32	0	0	0	109.8	S18 P22 L31 D35 A38 L39	S18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-P22 VanDerWaalsContact O-CD 3.27Å; P20-P22 WeakPolarHBondContact O-CD 3.4Å; P20-L31 HydrophobicContact CB-CD2 4.48Å; P20-D35 HydrophobicContact CB-CB 3.87Å; P20-D35 HydrophobicContact CG-CB 3.63Å; P20-D35 VanDerWaalsContact CG-O 3.29Å; P20-D35 WeakPolarHBondContact CG-O 3.31Å; P20-A38 HydrophobicContact CG-CB 4.22Å; P20-L39 HydrophobicContact CG-CB 4.31Å
21	I	82.6	Confident	82.4	Confident	112 Å²	112	104.8 Å²	104.8	57%	0.574	51%	0.505	S	S	*	.			trans	-76.6	114.3	178.8	-55.6	178.1	0	0	0	108.9	V19 K23	V19-I21 VanDerWaalsContact C-N 3.27Å; V19-I21 HydrophobicContact CB-CG1 4.13Å; V19-I21 HydrophobicContact CG1-CD1 4.29Å; V19-I21 HydrophobicContact CG1-CG1 3.59Å; V19-I21 PolarHBondContact O-N 2.76Å; I21-K23 PolarHBondContact O-N 2.87Å
22	P	82.5	Confident	82.5	Confident	36 Å²	36	103.4 Å²	103.4	23%	0.234	50%	0.503	C	S	.	.			trans	-65.3	133.9	176.4	26.8	-32.5	0	0	0	109.9	P20 D27 I28	P20-P22 VanDerWaalsContact O-CD 3.27Å; P20-P22 WeakPolarHBondContact O-CD 3.4Å; P22-D27 HydrophobicContact CB-CB 3.74Å; P22-I28 HydrophobicContact CB-CG1 4Å; P22-I28 HydrophobicContact CG-CG1 3.8Å
23	K	82.9	Confident	82.7	Confident	200 Å²	200	109.1 Å²	109.1	87%	0.87	53%	0.527	S	S	*	.	S	Bend	trans	-84.2	-20.5	179.9	-65.8	-177.3	-179.1	178.6	0	112.2	I21 D27	I21-K23 PolarHBondContact O-N 2.87Å; K23-D27 PolarHBondContact N-OD2 2.79Å
24	S	86.1	Confident	82.6	Confident	70 Å²	70	115.3 Å²	115.3	49%	0.49	55%	0.55	S	S	.	.	S	Bend	trans	-137.3	152.7	177.8	-71.1	0	0	0	0	110.8	R26 D27	S24-R26 PolarHBondContact O-N 3.08Å; S24-R26 VanDerWaalsContact O-N 3.07Å; S24-D27 PolarHBondContact N-OD2 3.1Å; S24-D27 WeakPolarHBondContact O-CB 3.46Å; S24-D27 PolarHBondContact O-N 3.42Å
25	F	81.9	Confident	82.7	Confident	185 Å²	185	113.4 Å²	113.4	81%	0.811	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.5	175.4	-75.8	-82.7	0	0	0	113.5	D27 I28	F25-D27 VanDerWaalsContact C-N 3.32Å; F25-D27 PolarHBondContact O-N 3.28Å; F25-I28 HydrophobicContact CD1-CD1 4.18Å; F25-I28 WeakPolarHBondContact O-CB 3.4Å
26	R	82.2	Confident	83	Confident	211 Å²	211	111.2 Å²	111.2	80%	0.796	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.4	176.3	-69	-176.1	175.9	175.3	-1.2	113.5	S24 I28 F29	S24-R26 PolarHBondContact O-N 3.08Å; S24-R26 VanDerWaalsContact O-N 3.07Å; R26-I28 PolarHBondContact O-N 3.09Å; R26-F29 PolarHBondContact O-N 2.97Å
27	D	81.2	Confident	83.2	Confident	53 Å²	53	112 Å²	112	28%	0.283	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-71.8	-23.8	-177.3	-60.1	-28	0	0	0	111.6	P22 K23 S24 F25 F29 R30 L31	P22-D27 HydrophobicContact CB-CB 3.74Å; K23-D27 PolarHBondContact N-OD2 2.79Å; S24-D27 PolarHBondContact N-OD2 3.1Å; S24-D27 WeakPolarHBondContact O-CB 3.46Å; S24-D27 PolarHBondContact O-N 3.42Å; F25-D27 VanDerWaalsContact C-N 3.32Å; F25-D27 PolarHBondContact O-N 3.28Å; D27-F29 PolarHBondContact O-N 3.46Å; D27-R30 PolarHBondContact O-N 3.25Å; D27-L31 PolarHBondContact O-N 3.46Å
28	I	78.6	Confident	83.2	Confident	82 Å²	82	104.2 Å²	104.2	42%	0.421	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-57	-39.2	176	-61.6	170.5	0	0	0	110.7	P22 F25 R26 R30	P22-I28 HydrophobicContact CB-CG1 4Å; P22-I28 HydrophobicContact CG-CG1 3.8Å; F25-I28 HydrophobicContact CD1-CD1 4.18Å; F25-I28 WeakPolarHBondContact O-CB 3.4Å; R26-I28 PolarHBondContact O-N 3.09Å; I28-R30 PolarHBondContact O-N 3.46Å
29	F	82.1	Confident	83.4	Confident	186 Å²	186	102.4 Å²	102.4	82%	0.816	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-75	-7.2	179.5	-64	-74	0	0	0	114	R26 D27	R26-F29 PolarHBondContact O-N 2.97Å; D27-F29 PolarHBondContact O-N 3.46Å
30	R	83.1	Confident	83.6	Confident	210 Å²	210	105.4 Å²	105.4	79%	0.792	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-107.2	0.9	-179.4	-66.2	-178.5	173.4	178	-3.7	113.3	D27 I28	D27-R30 PolarHBondContact O-N 3.25Å; I28-R30 PolarHBondContact O-N 3.46Å
31	L	81.2	Confident	84	Confident	41 Å²	41	107.6 Å²	107.6	22%	0.215	53%	0.531	C	S	.	.			trans	-68	135.8	-177.8	-68	172	0	0	0	111	P20 D27 D35 V36 L39	P20-L31 HydrophobicContact CB-CD2 4.48Å; D27-L31 PolarHBondContact O-N 3.46Å; L31-D35 HydrophobicContact CB-CB 4.18Å; L31-D35 HydrophobicContact CD2-CB 3.83Å; L31-V36 HydrophobicContact CB-CG2 3.75Å; L31-V36 HydrophobicContact CD1-CG2 4.42Å; L31-L39 HydrophobicContact CD1-CD2 4.09Å
32	S	86.1	Confident	84.2	Confident	55 Å²	55	105.3 Å²	105.3	39%	0.385	52%	0.517	S	S	.	.			trans	-72.1	161.7	170.1	83.8	0	0	0	0	110.2	K34 D35 V36	S32-K34 PolarHBondContact O-N 3.47Å; S32-K34 VanDerWaalsContact O-N 3.15Å; S32-K34 PolarHBondContact OG-N 2.71Å; S32-D35 VanDerWaalsContact CB-OD2 3.25Å; S32-D35 WeakPolarHBondContact CB-OD2 3.2Å; S32-D35 PolarHBondContact N-OD2 3Å; S32-D35 PolarHBondContact O-N 3.39Å; S32-D35 VanDerWaalsContact OG-CG 3.25Å; S32-D35 PolarHBondContact OG-N 3.48Å; S32-D35 PolarHBondContact OG-OD2 3.42Å; S32-V36 WeakPolarHBondContact O-CG2 3.2Å; S32-V36 PolarHBondContact O-N 3.03Å
33	L	85.2	Confident	84.6	Confident	158 Å²	158	105.3 Å²	105.3	83%	0.827	52%	0.523	S	S	*	.	H	α-helix	trans	-55.1	-33.7	175.2	-74.5	172.3	0	0	0	112.9	L37	L33-L37 WeakPolarHBondContact O-CB 2.77Å; L33-L37 PolarHBondContact O-N 3.34Å
34	K	84.6	Confident	85	Confident	171 Å²	171	99.2 Å²	99.2	74%	0.743	51%	0.506	S	S	*	.	H	α-helix	trans	-67.7	-39.5	176.3	-64.7	-177.4	179.3	179.8	0	111.3	S32 L37 A38	S32-K34 PolarHBondContact O-N 3.47Å; S32-K34 VanDerWaalsContact O-N 3.15Å; S32-K34 PolarHBondContact OG-N 2.71Å; K34-L37 PolarHBondContact O-N 3.44Å; K34-A38 WeakPolarHBondContact O-CB 3.21Å; K34-A38 PolarHBondContact O-N 2.89Å
35	D	85.6	Confident	85.2	Confident	57 Å²	57	102.3 Å²	102.3	31%	0.305	51%	0.511	S	S	.	.	H	α-helix	trans	-71.2	-40.5	-178.9	-54.8	-43.9	0	0	0	111	P20 L31 S32 L37 A38 L39	P20-D35 HydrophobicContact CB-CB 3.87Å; P20-D35 HydrophobicContact CG-CB 3.63Å; P20-D35 VanDerWaalsContact CG-O 3.29Å; P20-D35 WeakPolarHBondContact CG-O 3.31Å; L31-D35 HydrophobicContact CB-CB 4.18Å; L31-D35 HydrophobicContact CD2-CB 3.83Å; S32-D35 VanDerWaalsContact CB-OD2 3.25Å; S32-D35 WeakPolarHBondContact CB-OD2 3.2Å; S32-D35 PolarHBondContact N-OD2 3Å; S32-D35 PolarHBondContact O-N 3.39Å; S32-D35 VanDerWaalsContact OG-CG 3.25Å; S32-D35 PolarHBondContact OG-N 3.48Å; S32-D35 PolarHBondContact OG-OD2 3.42Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 2.97Å; D35-A38 PolarHBondContact O-N 3.01Å; D35-L39 VanDerWaalsContact O-CB 3.23Å; D35-L39 WeakPolarHBondContact O-CB 3.17Å; D35-L39 PolarHBondContact O-N 3.42Å
36	V	85.3	Confident	85.6	Confident	67 Å²	67	96 Å²	96	41%	0.406	49%	0.49	S	S	.	.	H	α-helix	trans	-59.1	-44.6	172.4	175.4	0	0	0	0	110.5	L31 S32 T40	L31-V36 HydrophobicContact CB-CG2 3.75Å; L31-V36 HydrophobicContact CD1-CG2 4.42Å; S32-V36 WeakPolarHBondContact O-CG2 3.2Å; S32-V36 PolarHBondContact O-N 3.03Å; V36-T40 WeakPolarHBondContact O-CB 3.35Å; V36-T40 PolarHBondContact O-N 3.37Å; V36-T40 PolarHBondContact O-OG1 2.8Å
37	L	86.1	Confident	86.2	Confident	118 Å²	118	88 Å²	88	62%	0.618	47%	0.473	S	S	*	.	H	α-helix	trans	-63.6	-48.1	177.6	-177.4	62.2	0	0	0	111.8	L33 K34 D35 L39 T40 V41	L33-L37 WeakPolarHBondContact O-CB 2.77Å; L33-L37 PolarHBondContact O-N 3.34Å; K34-L37 PolarHBondContact O-N 3.44Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 2.97Å; L37-L39 PolarHBondContact O-N 3.25Å; L37-T40 WeakPolarHBondContact O-CB 3.47Å; L37-T40 PolarHBondContact O-N 3.4Å; L37-V41 WeakPolarHBondContact O-CG2 3.35Å; L37-V41 PolarHBondContact O-N 3.01Å
38	A	85.1	Confident	86.9	Confident	42 Å²	42	88.2 Å²	88.2	35%	0.347	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-44.5	178.8	0	0	0	0	0	112.1	P20 K34 D35 T40 V41 F42	P20-A38 HydrophobicContact CG-CB 4.22Å; K34-A38 WeakPolarHBondContact O-CB 3.21Å; K34-A38 PolarHBondContact O-N 2.89Å; D35-A38 PolarHBondContact O-N 3.01Å; A38-T40 VanDerWaalsContact C-N 3.3Å; A38-T40 PolarHBondContact O-N 3.45Å; A38-V41 PolarHBondContact O-N 3.41Å; A38-F42 PolarHBondContact O-N 3.48Å
39	L	86.6	Confident	87.8	Confident	48 Å²	48	88.4 Å²	88.4	25%	0.251	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-36	176.3	-173.3	62.5	0	0	0	111.8	V19 P20 L31 D35 L37 G43	V19-L39 HydrophobicContact CG1-CD1 4.04Å; P20-L39 HydrophobicContact CG-CB 4.31Å; L31-L39 HydrophobicContact CD1-CD2 4.09Å; D35-L39 VanDerWaalsContact O-CB 3.23Å; D35-L39 WeakPolarHBondContact O-CB 3.17Å; D35-L39 PolarHBondContact O-N 3.42Å; L37-L39 PolarHBondContact O-N 3.25Å; L39-G43 PolarHBondContact O-N 3.09Å
40	T	87.5	Confident	88.4	Confident	83 Å²	83	81.5 Å²	81.5	51%	0.509	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-43.1	175.9	-58.3	0	0	0	0	111.6	V36 L37 A38 G43 S44	V36-T40 WeakPolarHBondContact O-CB 3.35Å; V36-T40 PolarHBondContact O-N 3.37Å; V36-T40 PolarHBondContact O-OG1 2.8Å; L37-T40 WeakPolarHBondContact O-CB 3.47Å; L37-T40 PolarHBondContact O-N 3.4Å; A38-T40 VanDerWaalsContact C-N 3.3Å; A38-T40 PolarHBondContact O-N 3.45Å; T40-G43 PolarHBondContact O-N 2.97Å; T40-S44 VanDerWaalsContact O-CB 3.26Å; T40-S44 WeakPolarHBondContact O-CB 3.45Å; T40-S44 PolarHBondContact O-N 3.49Å; T40-S44 PolarHBondContact O-OG 2.86Å
41	V	87.7	Confident	89.1	Confident	75 Å²	75	79.2 Å²	79.2	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-62.9	-46.8	175.9	172.9	0	0	0	0	110.4	L37 A38 S44 F45	L37-V41 WeakPolarHBondContact O-CG2 3.35Å; L37-V41 PolarHBondContact O-N 3.01Å; A38-V41 PolarHBondContact O-N 3.41Å; V41-S44 PolarHBondContact O-N 3.36Å; V41-S44 PolarHBondContact O-OG 3.11Å; V41-F45 WeakPolarHBondContact O-CB 3.2Å; V41-F45 PolarHBondContact O-N 2.81Å
42	F	87.2	Confident	89.8	Confident	64 Å²	64	79.4 Å²	79.4	28%	0.281	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-44.9	178	176.9	-104.6	0	0	0	112.6	L16 V19 A38 F45 S46	L16-F42 HydrophobicContact CD2-CD2 4.1Å; L16-F42 HydrophobicContact CD2-CE2 3.38Å; L16-F42 HydrophobicContact CD2-CZ 4.24Å; V19-F42 HydrophobicContact CB-CD1 4.42Å; V19-F42 HydrophobicContact CB-CG 4.31Å; V19-F42 HydrophobicContact CG1-CB 3.94Å; V19-F42 HydrophobicContact CG1-CD1 3.49Å; V19-F42 VanDerWaalsContact CG1-CD1 3.49Å; V19-F42 HydrophobicContact CG1-CD2 4.49Å; V19-F42 HydrophobicContact CG1-CE1 4.11Å; V19-F42 HydrophobicContact CG1-CG 3.7Å; V19-F42 HydrophobicContact CG2-CB 3.91Å; V19-F42 HydrophobicContact CG2-CD1 4.09Å; V19-F42 HydrophobicContact CG2-CD2 3.58Å; V19-F42 HydrophobicContact CG2-CE2 4.13Å; V19-F42 HydrophobicContact CG2-CG 3.56Å; A38-F42 PolarHBondContact O-N 3.48Å; F42-F45 PolarHBondContact O-N 3.03Å; F42-S46 WeakPolarHBondContact O-CB 3.3Å; F42-S46 PolarHBondContact O-N 3.3Å; F42-S46 PolarHBondContact O-OG 3.46Å
43	G	89.9	Confident	90.3	Very high	36 Å²	36	80.9 Å²	80.9	37%	0.371	47%	0.471	S	S	.	.	H	α-helix	trans	-63.4	-41.6	178.1	0	0	0	0	0	112.6	L39 T40 S46 G47	L39-G43 PolarHBondContact O-N 3.09Å; T40-G43 PolarHBondContact O-N 2.97Å; G43-S46 WeakPolarHBondContact CA-OG 3.31Å; G43-S46 PolarHBondContact O-OG 3Å; G43-G47 PolarHBondContact O-N 2.82Å
44	S	91.5	Very high	90.8	Very high	72 Å²	72	79.8 Å²	79.8	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-67.6	-42.2	175.9	59.8	0	0	0	0	112.2	T40 V41 A48	T40-S44 VanDerWaalsContact O-CB 3.26Å; T40-S44 WeakPolarHBondContact O-CB 3.45Å; T40-S44 PolarHBondContact O-N 3.49Å; T40-S44 PolarHBondContact O-OG 2.86Å; V41-S44 PolarHBondContact O-N 3.36Å; V41-S44 PolarHBondContact O-OG 3.11Å; S44-A48 VanDerWaalsContact O-CB 3.23Å; S44-A48 WeakPolarHBondContact O-CB 3.27Å; S44-A48 PolarHBondContact O-N 3.1Å
45	F	90.9	Very high	91.1	Very high	134 Å²	134	73.5 Å²	73.5	59%	0.588	43%	0.433	S	S	*	.	H	α-helix	trans	-67	-47.8	178.4	-175.1	-106.2	0	0	0	112.3	V41 F42 G47 A48 I49	V41-F45 WeakPolarHBondContact O-CB 3.2Å; V41-F45 PolarHBondContact O-N 2.81Å; F42-F45 PolarHBondContact O-N 3.03Å; F45-G47 PolarHBondContact O-N 3.45Å; F45-A48 PolarHBondContact O-N 2.95Å; F45-I49 HydrophobicContact CD1-CD1 3.8Å; F45-I49 HydrophobicContact CE1-CD1 3.29Å; F45-I49 HydrophobicContact CE1-CG1 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.27Å; F45-I49 HydrophobicContact CG-CD1 4.49Å; F45-I49 HydrophobicContact CZ-CD1 3.56Å; F45-I49 HydrophobicContact CZ-CG1 4.38Å; F45-I49 WeakPolarHBondContact O-CG1 3.15Å; F45-I49 PolarHBondContact O-N 3.34Å
46	S	90	Very high	91.5	Very high	53 Å²	53	74 Å²	74	37%	0.371	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-41	175.8	56.3	0	0	0	0	112	F42 G43 I49 G50	F42-S46 WeakPolarHBondContact O-CB 3.3Å; F42-S46 PolarHBondContact O-N 3.3Å; F42-S46 PolarHBondContact O-OG 3.46Å; G43-S46 WeakPolarHBondContact CA-OG 3.31Å; G43-S46 PolarHBondContact O-OG 3Å; S46-I49 PolarHBondContact O-N 2.92Å; S46-G50 PolarHBondContact O-N 3.34Å
47	G	95.2	Very high	91.8	Very high	43 Å²	43	73.9 Å²	73.9	44%	0.443	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-41.5	172.8	0	0	0	0	0	113	G43 F45 G50 Y51	G43-G47 PolarHBondContact O-N 2.82Å; F45-G47 PolarHBondContact O-N 3.45Å; G47-G50 PolarHBondContact O-N 3.19Å; G47-Y51 VanDerWaalsContact O-CB 3.3Å; G47-Y51 WeakPolarHBondContact O-CB 3.24Å; G47-Y51 PolarHBondContact O-N 2.83Å
48	A	96.4	Very high	91.9	Very high	58 Å²	58	73.2 Å²	73.2	48%	0.479	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-43.7	177	0	0	0	0	0	112.1	S44 F45 Y51 A52	S44-A48 VanDerWaalsContact O-CB 3.23Å; S44-A48 WeakPolarHBondContact O-CB 3.27Å; S44-A48 PolarHBondContact O-N 3.1Å; F45-A48 PolarHBondContact O-N 2.95Å; A48-Y51 PolarHBondContact O-N 3.43Å; A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.34Å; A48-A52 PolarHBondContact O-N 2.88Å
49	I	95.7	Very high	92	Very high	86 Å²	86	77.9 Å²	77.9	44%	0.441	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-47.7	173.5	-68.9	174.3	0	0	0	110.3	F45 S46 Y51 A52 V53	F45-I49 HydrophobicContact CD1-CD1 3.8Å; F45-I49 HydrophobicContact CE1-CD1 3.29Å; F45-I49 HydrophobicContact CE1-CG1 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.27Å; F45-I49 HydrophobicContact CG-CD1 4.49Å; F45-I49 HydrophobicContact CZ-CD1 3.56Å; F45-I49 HydrophobicContact CZ-CG1 4.38Å; F45-I49 WeakPolarHBondContact O-CG1 3.15Å; F45-I49 PolarHBondContact O-N 3.34Å; S46-I49 PolarHBondContact O-N 2.92Å; I49-Y51 VanDerWaalsContact C-N 3.32Å; I49-Y51 PolarHBondContact O-N 3.2Å; I49-A52 PolarHBondContact O-N 3.35Å; I49-V53 HydrophobicContact CG2-CG2 4.4Å; I49-V53 WeakPolarHBondContact O-CG2 3.39Å; I49-V53 PolarHBondContact O-N 3.45Å
50	G	96.6	Very high	91.9	Very high	41 Å²	41	82.8 Å²	82.8	42%	0.423	47%	0.472	S	S	.	.	H	α-helix	trans	-58.3	-43.4	177.9	0	0	0	0	0	112.5	S46 G47 V53 Y54	S46-G50 PolarHBondContact O-N 3.34Å; G47-G50 PolarHBondContact O-N 3.19Å; G50-V53 PolarHBondContact O-N 3.35Å; G50-Y54 WeakPolarHBondContact O-CB 3.44Å; G50-Y54 PolarHBondContact O-N 2.91Å
51	Y	96.8	Very high	91.9	Very high	161 Å²	161	85.4 Å²	85.4	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-66.6	-40.5	175.7	-175	-101.9	0	0	0	112.4	G47 A48 I49 Y54 T55	G47-Y51 VanDerWaalsContact O-CB 3.3Å; G47-Y51 WeakPolarHBondContact O-CB 3.24Å; G47-Y51 PolarHBondContact O-N 2.83Å; A48-Y51 PolarHBondContact O-N 3.43Å; I49-Y51 VanDerWaalsContact C-N 3.32Å; I49-Y51 PolarHBondContact O-N 3.2Å; Y51-Y54 PolarHBondContact O-N 3.28Å; Y51-T55 HydrophobicContact CD1-CG2 4.05Å; Y51-T55 HydrophobicContact CD2-CG2 4.31Å; Y51-T55 HydrophobicContact CE1-CG2 3.65Å; Y51-T55 HydrophobicContact CE2-CG2 3.93Å; Y51-T55 HydrophobicContact CG-CG2 4.37Å; Y51-T55 WeakPolarHBondContact O-CB 3.46Å; Y51-T55 VanDerWaalsContact O-CG2 3.3Å; Y51-T55 WeakPolarHBondContact O-CG2 3.33Å; Y51-T55 PolarHBondContact O-N 2.76Å; Y51-T55 PolarHBondContact O-OG1 2.89Å
52	A	96.6	Very high	91.2	Very high	46 Å²	46	83.7 Å²	83.7	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-44.6	175.5	0	0	0	0	0	111.6	A48 I49 T55 T56	A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.34Å; A48-A52 PolarHBondContact O-N 2.88Å; I49-A52 PolarHBondContact O-N 3.35Å; A52-T55 WeakPolarHBondContact CA-OG1 3.38Å; A52-T55 PolarHBondContact O-OG1 2.91Å; A52-T56 WeakPolarHBondContact O-CB 3.22Å; A52-T56 PolarHBondContact O-N 3.39Å; A52-T56 PolarHBondContact O-OG1 3.33Å
53	V	96.2	Very high	90.6	Very high	86 Å²	86	90.4 Å²	90.4	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-63.4	-47.4	174.5	174.1	0	0	0	0	110.6	I49 G50 T55 T56 V57	I49-V53 HydrophobicContact CG2-CG2 4.4Å; I49-V53 WeakPolarHBondContact O-CG2 3.39Å; I49-V53 PolarHBondContact O-N 3.45Å; G50-V53 PolarHBondContact O-N 3.35Å; V53-T55 PolarHBondContact O-N 2.86Å; V53-T56 PolarHBondContact O-N 3.27Å; V53-V57 HydrophobicContact CG1-CG2 4.23Å; V53-V57 WeakPolarHBondContact O-CB 3.42Å; V53-V57 VanDerWaalsContact O-CG2 3.24Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 3.4Å
54	Y	94.7	Very high	89.9	Confident	135 Å²	135	99.7 Å²	99.7	53%	0.529	53%	0.532	S	S	.	.	H	α-helix	trans	-58.5	-49.8	178.4	171.4	-97.3	0	0	0	112.6	G50 Y51 T56 V57 M58	G50-Y54 WeakPolarHBondContact O-CB 3.44Å; G50-Y54 PolarHBondContact O-N 2.91Å; Y51-Y54 PolarHBondContact O-N 3.28Å; Y54-T56 PolarHBondContact O-N 2.83Å; Y54-V57 PolarHBondContact O-N 3.5Å; Y54-M58 HydrophobicContact CD1-CG 4.43Å; Y54-M58 HydrophobicContact CD2-CE 4.21Å; Y54-M58 HydrophobicContact CD2-CG 4.3Å; Y54-M58 HydrophobicContact CE1-CG 4.03Å; Y54-M58 HydrophobicContact CE2-CE 3.35Å; Y54-M58 HydrophobicContact CE2-CG 3.9Å; Y54-M58 HydrophobicContact CE2-SD 4.48Å; Y54-M58 WeakPolarHBondContact O-CB 3.2Å; Y54-M58 WeakPolarHBondContact O-CG 3.48Å; Y54-M58 PolarHBondContact O-N 2.94Å
55	T	92.9	Very high	89.5	Confident	39 Å²	39	106.1 Å²	106.1	24%	0.239	55%	0.551	C	S	.	*	H	α-helix	trans	-63.9	-41.7	178.7	50.8	0	0	0	0	111.3	Y51 A52 V53 M58 L59	Y51-T55 HydrophobicContact CD1-CG2 4.05Å; Y51-T55 HydrophobicContact CD2-CG2 4.31Å; Y51-T55 HydrophobicContact CE1-CG2 3.65Å; Y51-T55 HydrophobicContact CE2-CG2 3.93Å; Y51-T55 HydrophobicContact CG-CG2 4.37Å; Y51-T55 WeakPolarHBondContact O-CB 3.46Å; Y51-T55 VanDerWaalsContact O-CG2 3.3Å; Y51-T55 WeakPolarHBondContact O-CG2 3.33Å; Y51-T55 PolarHBondContact O-N 2.76Å; Y51-T55 PolarHBondContact O-OG1 2.89Å; A52-T55 WeakPolarHBondContact CA-OG1 3.38Å; A52-T55 PolarHBondContact O-OG1 2.91Å; V53-T55 PolarHBondContact O-N 2.86Å; T55-M58 PolarHBondContact O-N 2.86Å; T55-L59 WeakPolarHBondContact O-CB 3.35Å; T55-L59 WeakPolarHBondContact O-CG 3.43Å; T55-L59 PolarHBondContact O-N 2.68Å
56	T	92.9	Very high	89.3	Confident	67 Å²	67	105.7 Å²	105.7	41%	0.411	55%	0.554	S	S	.	*	H	α-helix	trans	-60.1	-47.7	174.4	-60	0	0	0	0	111.1	A52 V53 Y54 L59 H60	A52-T56 WeakPolarHBondContact O-CB 3.22Å; A52-T56 PolarHBondContact O-N 3.39Å; A52-T56 PolarHBondContact O-OG1 3.33Å; V53-T56 PolarHBondContact O-N 3.27Å; Y54-T56 PolarHBondContact O-N 2.83Å; T56-L59 PolarHBondContact O-N 3.49Å; T56-H60 VanDerWaalsContact CG2-CE1 3.46Å; T56-H60 WeakPolarHBondContact CG2-CE1 3.46Å; T56-H60 WeakPolarHBondContact CG2-ND1 3.3Å; T56-H60 WeakPolarHBondContact O-CB 3.3Å; T56-H60 PolarHBondContact O-N 2.89Å; T56-H60 PolarHBondContact O-ND1 3.21Å
57	V	91.9	Very high	89.5	Confident	65 Å²	65	106.4 Å²	106.4	39%	0.394	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-45.3	177.4	168.9	0	0	0	0	111	V53 Y54 L59 H60 L61	V53-V57 HydrophobicContact CG1-CG2 4.23Å; V53-V57 WeakPolarHBondContact O-CB 3.42Å; V53-V57 VanDerWaalsContact O-CG2 3.24Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 3.4Å; Y54-V57 PolarHBondContact O-N 3.5Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.31Å; V57-H60 PolarHBondContact O-N 3.5Å; V57-L61 HydrophobicContact CG1-CD1 3.46Å; V57-L61 VanDerWaalsContact CG1-CD1 3.46Å; V57-L61 HydrophobicContact CG1-CG 3.93Å; V57-L61 VanDerWaalsContact O-CB 3.31Å; V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.21Å; V57-L61 PolarHBondContact O-N 2.85Å
58	M	87.8	Confident	89.5	Confident	103 Å²	103	110 Å²	110	51%	0.507	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-33.2	178.3	-73.5	-63.9	173.4	0	0	112.9	Y54 T55	Y54-M58 HydrophobicContact CD1-CG 4.43Å; Y54-M58 HydrophobicContact CD2-CE 4.21Å; Y54-M58 HydrophobicContact CD2-CG 4.3Å; Y54-M58 HydrophobicContact CE1-CG 4.03Å; Y54-M58 HydrophobicContact CE2-CE 3.35Å; Y54-M58 HydrophobicContact CE2-CG 3.9Å; Y54-M58 HydrophobicContact CE2-SD 4.48Å; Y54-M58 WeakPolarHBondContact O-CB 3.2Å; Y54-M58 WeakPolarHBondContact O-CG 3.48Å; Y54-M58 PolarHBondContact O-N 2.94Å; T55-M58 PolarHBondContact O-N 2.86Å
59	L	87.1	Confident	89.6	Confident	140 Å²	140	108.3 Å²	108.3	73%	0.733	55%	0.548	S	S	*	.	H	α-helix	trans	-71.4	-43.5	173.1	-70.7	169.6	0	0	0	111.9	T55 T56 V57 G62	T55-L59 WeakPolarHBondContact O-CB 3.35Å; T55-L59 WeakPolarHBondContact O-CG 3.43Å; T55-L59 PolarHBondContact O-N 2.68Å; T56-L59 PolarHBondContact O-N 3.49Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.31Å; L59-G62 PolarHBondContact O-N 3.4Å
60	H	85.7	Confident	89.5	Confident	152 Å²	152	110.7 Å²	110.7	70%	0.704	55%	0.552	S	S	*	*	H	α-helix	trans	-78	-37.1	-175.6	-75.5	80.7	0	0	0	114	T56 V57 G62	T56-H60 VanDerWaalsContact CG2-CE1 3.46Å; T56-H60 WeakPolarHBondContact CG2-CE1 3.46Å; T56-H60 WeakPolarHBondContact CG2-ND1 3.3Å; T56-H60 WeakPolarHBondContact O-CB 3.3Å; T56-H60 PolarHBondContact O-N 2.89Å; T56-H60 PolarHBondContact O-ND1 3.21Å; V57-H60 PolarHBondContact O-N 3.5Å; H60-G62 PolarHBondContact O-N 3.42Å
61	L	85.8	Confident	89.5	Confident	138 Å²	138	111.5 Å²	111.5	72%	0.723	56%	0.561	S	S	*	*	S	Bend	trans	-68.1	-12.8	174.4	-67.7	-178.4	0	0	0	112.1	V57	V57-L61 HydrophobicContact CG1-CD1 3.46Å; V57-L61 VanDerWaalsContact CG1-CD1 3.46Å; V57-L61 HydrophobicContact CG1-CG 3.93Å; V57-L61 VanDerWaalsContact O-CB 3.31Å; V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.21Å; V57-L61 PolarHBondContact O-N 2.85Å
62	G	73.8	Confident	89.5	Confident	38 Å²	38	105.2 Å²	105.2	39%	0.392	54%	0.538	S	S	.	.			trans	66.4	161.2	-177.4	0	0	0	0	0	112	L59 H60 R64	L59-G62 PolarHBondContact O-N 3.4Å; H60-G62 PolarHBondContact O-N 3.42Å; G62-R64 PolarHBondContact O-N 2.85Å
63	K	74.1	Confident	89.4	Confident	205 Å²	205	106.4 Å²	106.4	89%	0.891	54%	0.535	S	S	*	.			trans	-64.9	121.4	165	-66	-176.4	-179.9	-178.2	0	107.1	K65	K63-K65 PolarHBondContact O-N 3.39Å; K63-K65 VanDerWaalsContact O-N 3.09Å
64	R	75.7	Confident	89.4	Confident	231 Å²	231	107.9 Å²	107.9	87%	0.872	54%	0.535	S	S	*	.			trans	-49.6	122.1	170.3	-76	-178	168.9	167.6	-2.9	107.7	G62 I66	G62-R64 PolarHBondContact O-N 2.85Å; R64-I66 PolarHBondContact O-N 2.9Å
65	K	82.3	Confident	89.5	Confident	207 Å²	207	109.2 Å²	109.2	90%	0.9	55%	0.545	S	S	*	.			trans	-67.5	106.3	176.2	-67.4	-177.6	-179	179.2	0	107.6	K63	K63-K65 PolarHBondContact O-N 3.39Å; K63-K65 VanDerWaalsContact O-N 3.09Å
66	I	88	Confident	89.7	Confident	125 Å²	125	110.8 Å²	110.8	64%	0.641	55%	0.552	S	S	*	*			trans	-79.3	126.2	175.4	-56.9	172.9	0	0	0	107.1	R64 Y70	R64-I66 PolarHBondContact O-N 2.9Å; I66-Y70 HydrophobicContact CG2-CE1 4.15Å; I66-Y70 WeakPolarHBondContact CG2-OH 3.45Å
67	P	93.6	Very high	89.9	Confident	68 Å²	68	115 Å²	115	44%	0.442	58%	0.577	S	S	.	*			trans	-68.5	136.4	179.8	28.4	-33.8	0	0	0	110.6	Y70	P67-Y70 HydrophobicContact CG-CD1 3.89Å; P67-Y70 HydrophobicContact CG-CE1 3.84Å; P67-Y70 WeakPolarHBondContact O-CE1 3.3Å
68	I	96.1	Very high	90.1	Very high	120 Å²	120	119.4 Å²	119.4	62%	0.615	59%	0.591	S	S	*	*	S	Bend	trans	-68.4	-49.2	176.6	-61.9	173.6	0	0	0	110.1	W98 R99	I68-W98 HydrophobicContact CG2-CG 4.21Å; I68-R99 PolarHBondContact O-NH1 2.8Å; I68-R99 PolarHBondContact O-NH2 3.02Å
69	N	96.9	Very high	90.5	Very high	22 Å²	22	115.8 Å²	115.8	12%	0.118	58%	0.576	C	S	.	*			trans	-88.3	121.4	174.7	172.8	4.8	0	0	0	109.4	G71 I72 K74 W98	N69-G71 PolarHBondContact OD1-N 2.76Å; N69-G71 VanDerWaalsContact OD1-N 3.1Å; N69-I72 PolarHBondContact ND2-O 3.49Å; N69-I72 WeakPolarHBondContact OD1-CB 3.23Å; N69-I72 PolarHBondContact OD1-N 2.9Å; N69-K74 WeakPolarHBondContact O-CE 3.23Å; N69-K74 PolarHBondContact O-NZ 3.26Å; N69-W98 HydrophobicContact CB-CB 3.99Å; N69-W98 HydrophobicContact CB-CD2 3.76Å; N69-W98 HydrophobicContact CB-CE3 3.65Å; N69-W98 HydrophobicContact CB-CG 3.94Å; N69-W98 HydrophobicContact CB-CZ3 4.37Å; N69-W98 VanDerWaalsContact CG-CE3 3.48Å
70	Y	95.2	Very high	91	Very high	136 Å²	136	113.4 Å²	113.4	53%	0.533	57%	0.567	S	S	.	*	S	Bend	trans	-90.2	-29.5	179.1	-69.6	-60.5	0	0	0	114.3	I66 P67 K74 R99	I66-Y70 HydrophobicContact CG2-CE1 4.15Å; I66-Y70 WeakPolarHBondContact CG2-OH 3.45Å; P67-Y70 HydrophobicContact CG-CD1 3.89Å; P67-Y70 HydrophobicContact CG-CE1 3.84Å; P67-Y70 WeakPolarHBondContact O-CE1 3.3Å; Y70-K74 VanDerWaalsContact C-CE 3.43Å; Y70-K74 VanDerWaalsContact O-CE 3.3Å; Y70-K74 WeakPolarHBondContact O-CE 3.39Å; Y70-R99 VanDerWaalsContact CD2-NH1 3.29Å
71	G	94.8	Very high	91.5	Very high	58 Å²	58	109.2 Å²	109.2	60%	0.598	55%	0.55	S	S	*	.	S	Bend	trans	-155.2	-4.4	-170.1	0	0	0	0	0	117	N69 Q73	N69-G71 PolarHBondContact OD1-N 2.76Å; N69-G71 VanDerWaalsContact OD1-N 3.1Å; G71-Q73 PolarHBondContact O-N 3.14Å
72	I	96.9	Very high	91.9	Very high	29 Å²	29	109.2 Å²	109.2	15%	0.149	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	120.9	-178.2	-62.4	163.2	0	0	0	108.9	N69 K74 W98 F103	N69-I72 PolarHBondContact ND2-O 3.49Å; N69-I72 WeakPolarHBondContact OD1-CB 3.23Å; N69-I72 PolarHBondContact OD1-N 2.9Å; I72-K74 VanDerWaalsContact C-N 3.29Å; I72-K74 PolarHBondContact O-N 2.95Å; I72-K74 VanDerWaalsContact O-N 3.1Å; I72-W98 HydrophobicContact CB-CE3 4.12Å; I72-W98 HydrophobicContact CB-CZ3 4.41Å; I72-W98 HydrophobicContact CD1-CB 4.14Å; I72-W98 HydrophobicContact CD1-CE3 3.98Å; I72-W98 WeakPolarHBondContact CD1-O 3.29Å; I72-W98 HydrophobicContact CG2-CE3 4.21Å; I72-W98 HydrophobicContact CG2-CZ3 4.12Å; I72-F103 HydrophobicContact CD1-CB 3.9Å; I72-F103 HydrophobicContact CD1-CD1 4.49Å; I72-F103 HydrophobicContact CD1-CD2 3.66Å; I72-F103 HydrophobicContact CD1-CE2 4.33Å; I72-F103 HydrophobicContact CD1-CG 3.75Å; I72-F103 HydrophobicContact CG1-CB 4.42Å; I72-F103 HydrophobicContact CG1-CG 4.47Å; I72-F103 HydrophobicContact CG2-CB 4.27Å; I72-F103 HydrophobicContact CG2-CD1 3.49Å; I72-F103 VanDerWaalsContact CG2-CD1 3.49Å; I72-F103 HydrophobicContact CG2-CE1 3.9Å; I72-F103 HydrophobicContact CG2-CG 3.84Å
73	Q	95.7	Very high	92.9	Very high	71 Å²	71	110.2 Å²	110.2	33%	0.332	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	46.5	44	172	-57.8	179.1	20.1	0	0	115	G71 H75 I76 C79	G71-Q73 PolarHBondContact O-N 3.14Å; Q73-H75 PolarHBondContact O-N 2.83Å; Q73-I76 HydrophobicContact CB-CD1 4.09Å; Q73-I76 HydrophobicContact CB-CG1 4.34Å; Q73-I76 PolarHBondContact O-N 3.46Å; Q73-C79 PolarHBondContact OE1-SG 2.9Å
74	K	96.8	Very high	93.8	Very high	117 Å²	117	105.1 Å²	105.1	51%	0.509	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14	-175.5	-73.4	-64	-169.3	171.3	0	116	N69 Y70 I72	N69-K74 WeakPolarHBondContact O-CE 3.23Å; N69-K74 PolarHBondContact O-NZ 3.26Å; Y70-K74 VanDerWaalsContact C-CE 3.43Å; Y70-K74 VanDerWaalsContact O-CE 3.3Å; Y70-K74 WeakPolarHBondContact O-CE 3.39Å; I72-K74 VanDerWaalsContact C-N 3.29Å; I72-K74 PolarHBondContact O-N 2.95Å; I72-K74 VanDerWaalsContact O-N 3.1Å
75	H	96.5	Very high	94.6	Very high	162 Å²	162	100.1 Å²	100.1	75%	0.75	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.1	174.6	63.8	-84.8	0	0	0	112.7	Q73	Q73-H75 PolarHBondContact O-N 2.83Å
76	I	96.4	Very high	95	Very high	72 Å²	72	97.1 Å²	97.1	37%	0.369	51%	0.514	S	S	.	.	S	Bend	trans	-97.8	136.5	-179.4	-45.7	-177.3	0	0	0	109.5	Q73 K78	Q73-I76 HydrophobicContact CB-CD1 4.09Å; Q73-I76 HydrophobicContact CB-CG1 4.34Å; Q73-I76 PolarHBondContact O-N 3.46Å; I76-K78 VanDerWaalsContact C-N 3.32Å; I76-K78 WeakPolarHBondContact CG2-O 3.36Å; I76-K78 PolarHBondContact O-N 2.81Å
77	T	96.6	Very high	95	Very high	155 Å²	155	94.3 Å²	94.3	95%	0.951	51%	0.506	S	S	*	.	S	Bend	trans	-69.2	-30.1	178.8	54.4	0	0	0	0	113
78	K	96.8	Very high	94.9	Very high	159 Å²	159	91.7 Å²	91.7	69%	0.691	49%	0.488	S	S	*	.	S	Bend	trans	-141.7	104.3	177.3	-170.7	-170.8	177.5	-179.4	0	109.5	I76 V80	I76-K78 VanDerWaalsContact C-N 3.32Å; I76-K78 WeakPolarHBondContact CG2-O 3.36Å; I76-K78 PolarHBondContact O-N 2.81Å; K78-V80 HydrophobicContact CD-CG2 3.9Å; K78-V80 HydrophobicContact CG-CG2 3.77Å; K78-V80 PolarHBondContact O-N 3.36Å
79	C	95.7	Very high	94.5	Very high	26 Å²	26	90.4 Å²	90.4	18%	0.176	49%	0.486	C	S	.	.			trans	-77.5	117.1	176.7	-178.6	0	0	0	0	109.5	Q73 W98	Q73-C79 PolarHBondContact OE1-SG 2.9Å; C79-W98 HydrophobicContact CB-CH2 3.66Å; C79-W98 HydrophobicContact CB-CZ3 3.83Å; C79-W98 VanDerWaalsContact SG-CZ3 3.58Å
80	V	96.9	Very high	94.2	Very high	90 Å²	90	94.2 Å²	94.2	55%	0.545	51%	0.506	S	S	.	.			trans	-136.9	128.4	-177.2	-177.3	0	0	0	0	108.2	K78 V82	K78-V80 HydrophobicContact CD-CG2 3.9Å; K78-V80 HydrophobicContact CG-CG2 3.77Å; K78-V80 PolarHBondContact O-N 3.36Å; V80-V82 HydrophobicContact CG1-CG2 4.45Å
81	D	96.2	Very high	94.1	Very high	65 Å²	65	93.6 Å²	93.6	35%	0.348	51%	0.506	S	S	.	.			trans	-105.8	129.7	171.1	-60.1	-88.9	0	0	0	109	F103 P104	D81-F103 WeakPolarHBondContact OD2-CE1 3.25Å; D81-P104 HydrophobicContact CB-CB 3.98Å; D81-P104 HydrophobicContact CB-CG 4.17Å
82	V	95.5	Very high	94.2	Very high	137 Å²	137	94.3 Å²	94.3	83%	0.83	49%	0.493	S	S	*	.			trans	-106.3	124.9	175.8	-179	0	0	0	0	107.6	V80	V80-V82 HydrophobicContact CG1-CG2 4.45Å
83	V	94	Very high	94.2	Very high	59 Å²	59	95 Å²	95	36%	0.358	50%	0.498	S	S	.	.			trans	-121.3	128.8	176.3	-178.2	0	0	0	0	108.2	I88 Y94	V83-I88 HydrophobicContact CG1-CD1 4.02Å; V83-I88 HydrophobicContact CG1-CG1 3.97Å; V83-Y94 WeakPolarHBondContact CG1-OH 3.41Å; V83-Y94 HydrophobicContact CG2-CE1 3.91Å
84	D	93.8	Very high	94.3	Very high	99 Å²	99	92.6 Å²	92.6	53%	0.529	49%	0.486	S	S	.	.			trans	-71.5	132.4	175.2	-169.2	19.5	0	0	0	110.4	E86 S87	D84-E86 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 2.95Å; D84-S87 WeakPolarHBondContact O-CB 3.34Å; D84-S87 PolarHBondContact O-N 3.15Å; D84-S87 VanDerWaalsContact O-N 3.15Å; D84-S87 PolarHBondContact O-OG 3.48Å
85	I	91.6	Very high	94.4	Very high	126 Å²	126	87.6 Å²	87.6	65%	0.646	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-70.4	-34.6	-172.1	-170	165.5	0	0	0	111.2	S87 I88	I85-S87 PolarHBondContact O-N 3.47Å; I85-I88 WeakPolarHBondContact O-CB 3.45Å; I85-I88 PolarHBondContact O-N 3.4Å; I85-I88 VanDerWaalsContact O-N 3.16Å
86	E	90.5	Very high	94.5	Very high	143 Å²	143	86.9 Å²	86.9	67%	0.668	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-65.5	-23.5	174.9	-69.1	79.3	-177	0	0	112.3	D84 I88	D84-E86 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 2.95Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.32Å
87	S	89.6	Confident	94.6	Very high	66 Å²	66	83.7 Å²	83.7	46%	0.462	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-75.7	-13.1	176.5	79	0	0	0	0	113.7	D84 I85 T89	D84-S87 WeakPolarHBondContact O-CB 3.34Å; D84-S87 PolarHBondContact O-N 3.15Å; D84-S87 VanDerWaalsContact O-N 3.15Å; D84-S87 PolarHBondContact O-OG 3.48Å; I85-S87 PolarHBondContact O-N 3.47Å; S87-T89 PolarHBondContact O-N 2.83Å
88	I	90	Very high	94.7	Very high	14 Å²	14	79.4 Å²	79.4	7%	0.072	41%	0.407	C	S	.	.			trans	-88.1	83.4	-179.9	-54.7	178.4	0	0	0	108.4	V83 I85 E86 D90 K92 I126 T128	V83-I88 HydrophobicContact CG1-CD1 4.02Å; V83-I88 HydrophobicContact CG1-CG1 3.97Å; I85-I88 WeakPolarHBondContact O-CB 3.45Å; I85-I88 PolarHBondContact O-N 3.4Å; I85-I88 VanDerWaalsContact O-N 3.16Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.32Å; I88-D90 WeakPolarHBondContact CG2-O 3.45Å; I88-K92 HydrophobicContact CG2-CB 4.45Å; I88-K92 HydrophobicContact CG2-CG 3.96Å; I88-I126 HydrophobicContact CD1-CB 4.43Å; I88-I126 HydrophobicContact CD1-CD1 4.24Å; I88-I126 HydrophobicContact CD1-CG2 3.89Å; I88-I126 HydrophobicContact CG2-CG2 4.12Å; I88-T128 WeakPolarHBondContact O-CG2 3.27Å
89	T	88	Confident	94.7	Very high	92 Å²	92	74.9 Å²	74.9	56%	0.564	39%	0.386	S	S	*	.			trans	-77.3	-40.5	175	52.3	0	0	0	0	112.3	S87 T128	S87-T89 PolarHBondContact O-N 2.83Å; T89-T128 PolarHBondContact O-OG1 3.09Å
90	D	90	Very high	94.8	Very high	103 Å²	103	73.9 Å²	73.9	55%	0.551	38%	0.379	S	S	*	.	S	Bend	trans	-116.5	172.4	-174.2	-56.6	-68.2	0	0	0	111.6	I88 K92	I88-D90 WeakPolarHBondContact CG2-O 3.45Å; D90-K92 PolarHBondContact O-N 3.1Å; D90-K92 VanDerWaalsContact O-N 3.1Å
91	K	94	Very high	94.8	Very high	123 Å²	123	74.5 Å²	74.5	54%	0.535	39%	0.387	S	S	.	.			trans	-55.2	116.4	170.5	-178.6	175.8	-178.6	169.2	0	110.8	V93 I125 I126 E127	K91-V93 HydrophobicContact CG-CG2 4.5Å; K91-I125 HydrophobicContact CD-CG2 4.31Å; K91-I125 VanDerWaalsContact CE-CG2 3.49Å; K91-I125 HydrophobicContact CG-CG2 4.03Å; K91-I126 CarbonylContact C-O 3.58Å; K91-I126 WeakPolarHBondContact CA-O 3.37Å; K91-E127 HydrophobicContact CB-CB 4.13Å; K91-E127 HydrophobicContact CG-CB 4.27Å
92	K	95.8	Very high	94.9	Very high	72 Å²	72	78.3 Å²	78.3	31%	0.313	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.1	171.8	-63.1	-62.9	-177.7	-177.6	0	110.3	I88 D90 Y94 I125 I126	I88-K92 HydrophobicContact CG2-CB 4.45Å; I88-K92 HydrophobicContact CG2-CG 3.96Å; D90-K92 PolarHBondContact O-N 3.1Å; D90-K92 VanDerWaalsContact O-N 3.1Å; K92-Y94 HydrophobicContact CB-CD2 4.45Å; K92-Y94 HydrophobicContact CB-CE2 3.6Å; K92-I125 WeakPolarHBondContact O-CA 3.21Å; K92-I126 PolarHBondContact N-O 3.34Å; K92-I126 PolarHBondContact O-N 3.03Å
93	V	97.6	Very high	95	Very high	43 Å²	43	73.5 Å²	73.5	26%	0.261	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.9	-178	-169.7	0	0	0	0	108.4	K91 Y105 C106 P123 L124 I125	K91-V93 HydrophobicContact CG-CG2 4.5Å; V93-Y105 WeakPolarHBondContact O-CA 3.35Å; V93-C106 HydrophobicContact CB-CB 4.16Å; V93-C106 HydrophobicContact CG1-CB 3.51Å; V93-C106 PolarHBondContact O-N 3.36Å; V93-P123 HydrophobicContact CG1-CB 3.39Å; V93-P123 HydrophobicContact CG1-CG 3.69Å; V93-L124 CarbonylContact C-O 3.55Å; V93-L124 WeakPolarHBondContact CA-O 3.36Å; V93-I125 HydrophobicContact CG1-CG1 4.04Å; V93-I125 HydrophobicContact CG2-CG1 4.24Å
94	Y	98.2	Very high	95.1	Very high	21 Å²	21	72 Å²	72	8%	0.082	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.9	-174.7	-62.7	-80	0	0	0	111.7	V83 K92 P104 Y105 P123 L124 I126	V83-Y94 WeakPolarHBondContact CG1-OH 3.41Å; V83-Y94 HydrophobicContact CG2-CE1 3.91Å; K92-Y94 HydrophobicContact CB-CD2 4.45Å; K92-Y94 HydrophobicContact CB-CE2 3.6Å; Y94-P104 CarbonylContact C-O 3.58Å; Y94-P104 WeakPolarHBondContact CA-O 3.45Å; Y94-Y105 HydrophobicContact CD1-CD1 4.12Å; Y94-Y105 HydrophobicContact CD1-CE1 4.28Å; Y94-Y105 AromaticContact CE1-CD1 3.89Å; Y94-Y105 HydrophobicContact CE1-CD1 3.89Å; Y94-Y105 AromaticContact CE1-CE1 3.59Å; Y94-Y105 HydrophobicContact CE1-CE1 3.59Å; Y94-P123 CarbonylContact O-C 3.53Å; Y94-P123 WeakPolarHBondContact O-CA 3.44Å; Y94-P123 WeakPolarHBondContact O-CB 3.45Å; Y94-L124 PolarHBondContact N-O 3.29Å; Y94-L124 PolarHBondContact O-N 2.92Å; Y94-I126 HydrophobicContact CD2-CD1 3.98Å; Y94-I126 HydrophobicContact CD2-CG1 4.13Å; Y94-I126 HydrophobicContact CE2-CB 4.34Å; Y94-I126 HydrophobicContact CE2-CD1 3.72Å; Y94-I126 HydrophobicContact CE2-CG1 4.04Å
95	C	98.6	Very high	95.3	Very high	13 Å²	13	72.2 Å²	72.2	9%	0.088	36%	0.355	C	S	.	.			trans	-73.9	132.8	179.9	-175.4	0	0	0	0	110.9	C97 W98 S100 F103 P104	C95-C97 PolarHBondContact SG-SG 3.46Å; C95-W98 PolarHBondContact SG-N 3.5Å; C95-W98 VanDerWaalsContact SG-N 3.44Å; C95-S100 VanDerWaalsContact SG-CB 3.54Å; C95-F103 HydrophobicContact CB-CD2 3.83Å; C95-F103 HydrophobicContact CB-CE2 4.18Å; C95-P104 PolarHBondContact N-O 2.98Å
96	R	98.4	Very high	95.6	Very high	146 Å²	146	67.6 Å²	67.6	55%	0.551	33%	0.333	S	S	*	.	S	Bend	trans	-117.4	-6.8	169.3	-60.9	-170.2	-67.4	175.3	-4.1	113.8	G122 P123 L124	R96-G122 PolarHBondContact NE-O 2.96Å; R96-G122 PolarHBondContact NH2-O 2.95Å; R96-G122 VanDerWaalsContact NH2-O 3.11Å; R96-P123 PolarHBondContact NE-O 3.37Å; R96-P123 PolarHBondContact NH2-O 3.46Å; R96-L124 HydrophobicContact CG-CB 4.3Å
97	C	98.2	Very high	96	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.041	32%	0.317	C	S	.	.	S	Bend	trans	-91.5	-11	-177.5	67.3	0	0	0	0	113.9	C95 R99 H110 V121	C95-C97 PolarHBondContact SG-SG 3.46Å; C97-R99 HydrophobicContact CB-CG 4.32Å; C97-R99 PolarHBondContact O-N 2.79Å; C97-R99 PolarHBondContact O-NH1 3.5Å; C97-R99 PolarHBondContact SG-N 2.85Å; C97-H110 HydrophobicContact CB-CB 3.9Å; C97-V121 HydrophobicContact CB-CB 4.48Å; C97-V121 HydrophobicContact CB-CG2 3.7Å
98	W	98.3	Very high	96.4	Very high	64 Å²	64	61.8 Å²	61.8	24%	0.242	31%	0.308	C	S	.	.	S	Bend	trans	57.6	29.1	-174.8	-58.9	84.7	0	0	0	114.2	I68 N69 I72 C79 C95 F103	I68-W98 HydrophobicContact CG2-CG 4.21Å; N69-W98 HydrophobicContact CB-CB 3.99Å; N69-W98 HydrophobicContact CB-CD2 3.76Å; N69-W98 HydrophobicContact CB-CE3 3.65Å; N69-W98 HydrophobicContact CB-CG 3.94Å; N69-W98 HydrophobicContact CB-CZ3 4.37Å; N69-W98 VanDerWaalsContact CG-CE3 3.48Å; I72-W98 HydrophobicContact CB-CE3 4.12Å; I72-W98 HydrophobicContact CB-CZ3 4.41Å; I72-W98 HydrophobicContact CD1-CB 4.14Å; I72-W98 HydrophobicContact CD1-CE3 3.98Å; I72-W98 WeakPolarHBondContact CD1-O 3.29Å; I72-W98 HydrophobicContact CG2-CE3 4.21Å; I72-W98 HydrophobicContact CG2-CZ3 4.12Å; C79-W98 HydrophobicContact CB-CH2 3.66Å; C79-W98 HydrophobicContact CB-CZ3 3.83Å; C79-W98 VanDerWaalsContact SG-CZ3 3.58Å; C95-W98 PolarHBondContact SG-N 3.5Å; C95-W98 VanDerWaalsContact SG-N 3.44Å; W98-F103 AromaticContact CD2-CE2 3.97Å; W98-F103 HydrophobicContact CD2-CE2 3.97Å; W98-F103 HydrophobicContact CD2-CZ 4.17Å; W98-F103 HydrophobicContact CE3-CD2 4.42Å; W98-F103 HydrophobicContact CE3-CE1 4.32Å; W98-F103 AromaticContact CE3-CE2 3.7Å; W98-F103 HydrophobicContact CE3-CE2 3.7Å; W98-F103 AromaticContact CE3-CZ 3.64Å; W98-F103 HydrophobicContact CE3-CZ 3.64Å; W98-F103 HydrophobicContact CH2-CE1 4.27Å; W98-F103 HydrophobicContact CH2-CE2 4.38Å; W98-F103 AromaticContact CH2-CZ 3.62Å; W98-F103 HydrophobicContact CH2-CZ 3.62Å; W98-F103 HydrophobicContact CZ2-CZ 4.16Å; W98-F103 AromaticContact CZ3-CE1 3.81Å; W98-F103 HydrophobicContact CZ3-CE1 3.81Å; W98-F103 AromaticContact CZ3-CE2 3.93Å; W98-F103 HydrophobicContact CZ3-CE2 3.93Å; W98-F103 AromaticContact CZ3-CZ 3.34Å; W98-F103 HydrophobicContact CZ3-CZ 3.34Å
99	R	97.9	Very high	96.8	Very high	64 Å²	64	62.4 Å²	62.4	24%	0.242	32%	0.315	C	S	.	.			trans	-112	-11.5	175	-56.5	-71.4	170.2	-91.2	-6.9	113.4	I68 Y70 C97 S101 A109 H113	I68-R99 PolarHBondContact O-NH1 2.8Å; I68-R99 PolarHBondContact O-NH2 3.02Å; Y70-R99 VanDerWaalsContact CD2-NH1 3.29Å; C97-R99 HydrophobicContact CB-CG 4.32Å; C97-R99 PolarHBondContact O-N 2.79Å; C97-R99 PolarHBondContact O-NH1 3.5Å; C97-R99 PolarHBondContact SG-N 2.85Å; R99-S101 PolarHBondContact O-N 3.45Å; R99-A109 HydrophobicContact CB-CB 3.72Å; R99-A109 WeakPolarHBondContact O-CB 3.35Å; R99-H113 HydrophobicContact CG-CB 4.04Å; R99-H113 PolarHBondContact NE-ND1 2.96Å
100	S	98.2	Very high	97.3	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.035	29%	0.293	C	S	.	.			trans	-66.3	130.9	-176.5	178.2	0	0	0	0	111.4	C95 K102 F103 Y105 D107	C95-S100 VanDerWaalsContact SG-CB 3.54Å; S100-K102 PolarHBondContact O-N 2.9Å; S100-K102 PolarHBondContact OG-N 2.98Å; S100-F103 PolarHBondContact O-N 2.89Å; S100-F103 PolarHBondContact OG-N 3.41Å; S100-Y105 WeakPolarHBondContact CB-O 3.41Å; S100-Y105 PolarHBondContact OG-O 2.92Å; S100-D107 VanDerWaalsContact CA-OD1 3.31Å; S100-D107 WeakPolarHBondContact CA-OD1 3.33Å; S100-D107 WeakPolarHBondContact CA-OD2 3.33Å; S100-D107 WeakPolarHBondContact CB-OD1 3.49Å; S100-D107 PolarHBondContact OG-OD1 3.38Å; S100-D107 PolarHBondContact OG-OD2 3.42Å
101	S	97.5	Very high	97.7	Very high	103 Å²	103	59 Å²	59	72%	0.72	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.9	169	61.5	0	0	0	0	112.6	R99 D107	R99-S101 PolarHBondContact O-N 3.45Å; S101-D107 WeakPolarHBondContact CB-OD2 3.3Å; S101-D107 PolarHBondContact N-OD2 3.48Å; S101-D107 PolarHBondContact OG-OD2 3.37Å
102	K	97.3	Very high	97.9	Very high	145 Å²	145	59.5 Å²	59.5	63%	0.63	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	25.2	179.4	-60.3	-178.4	-178.3	177.4	0	112.4	S100 Y105 D107	S100-K102 PolarHBondContact O-N 2.9Å; S100-K102 PolarHBondContact OG-N 2.98Å; K102-Y105 CarbonylContact C-O 3.58Å; K102-Y105 WeakPolarHBondContact O-CA 3.33Å; K102-Y105 WeakPolarHBondContact O-CB 3.41Å; K102-Y105 PolarHBondContact O-N 3.37Å; K102-D107 HydrophobicContact CD-CB 4.45Å; K102-D107 HydrophobicContact CG-CB 4.48Å
103	F	97.5	Very high	98	Very high	36 Å²	36	57.2 Å²	57.2	16%	0.158	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	130.6	179.3	-169	-86.6	0	0	0	110.5	I72 D81 C95 W98 S100	I72-F103 HydrophobicContact CD1-CB 3.9Å; I72-F103 HydrophobicContact CD1-CD1 4.49Å; I72-F103 HydrophobicContact CD1-CD2 3.66Å; I72-F103 HydrophobicContact CD1-CE2 4.33Å; I72-F103 HydrophobicContact CD1-CG 3.75Å; I72-F103 HydrophobicContact CG1-CB 4.42Å; I72-F103 HydrophobicContact CG1-CG 4.47Å; I72-F103 HydrophobicContact CG2-CB 4.27Å; I72-F103 HydrophobicContact CG2-CD1 3.49Å; I72-F103 VanDerWaalsContact CG2-CD1 3.49Å; I72-F103 HydrophobicContact CG2-CE1 3.9Å; I72-F103 HydrophobicContact CG2-CG 3.84Å; D81-F103 WeakPolarHBondContact OD2-CE1 3.25Å; C95-F103 HydrophobicContact CB-CD2 3.83Å; C95-F103 HydrophobicContact CB-CE2 4.18Å; W98-F103 AromaticContact CD2-CE2 3.97Å; W98-F103 HydrophobicContact CD2-CE2 3.97Å; W98-F103 HydrophobicContact CD2-CZ 4.17Å; W98-F103 HydrophobicContact CE3-CD2 4.42Å; W98-F103 HydrophobicContact CE3-CE1 4.32Å; W98-F103 AromaticContact CE3-CE2 3.7Å; W98-F103 HydrophobicContact CE3-CE2 3.7Å; W98-F103 AromaticContact CE3-CZ 3.64Å; W98-F103 HydrophobicContact CE3-CZ 3.64Å; W98-F103 HydrophobicContact CH2-CE1 4.27Å; W98-F103 HydrophobicContact CH2-CE2 4.38Å; W98-F103 AromaticContact CH2-CZ 3.62Å; W98-F103 HydrophobicContact CH2-CZ 3.62Å; W98-F103 HydrophobicContact CZ2-CZ 4.16Å; W98-F103 AromaticContact CZ3-CE1 3.81Å; W98-F103 HydrophobicContact CZ3-CE1 3.81Å; W98-F103 AromaticContact CZ3-CE2 3.93Å; W98-F103 HydrophobicContact CZ3-CE2 3.93Å; W98-F103 AromaticContact CZ3-CZ 3.34Å; W98-F103 HydrophobicContact CZ3-CZ 3.34Å; S100-F103 PolarHBondContact O-N 2.89Å; S100-F103 PolarHBondContact OG-N 3.41Å
104	P	97	Very high	98	Very high	27 Å²	27	56.7 Å²	56.7	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-3.7	16.8	33.3	-37.3	0	0	0	116.4	D81 Y94 C95	D81-P104 HydrophobicContact CB-CB 3.98Å; D81-P104 HydrophobicContact CB-CG 4.17Å; Y94-P104 CarbonylContact C-O 3.58Å; Y94-P104 WeakPolarHBondContact CA-O 3.45Å; C95-P104 PolarHBondContact N-O 2.98Å
105	Y	97.5	Very high	98	Very high	105 Å²	105	63.9 Å²	63.9	41%	0.412	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-78.1	151.7	-179.9	-57.2	-69.3	0	0	0	111.9	V93 Y94 S100 K102	V93-Y105 WeakPolarHBondContact O-CA 3.35Å; Y94-Y105 HydrophobicContact CD1-CD1 4.12Å; Y94-Y105 HydrophobicContact CD1-CE1 4.28Å; Y94-Y105 AromaticContact CE1-CD1 3.89Å; Y94-Y105 HydrophobicContact CE1-CD1 3.89Å; Y94-Y105 AromaticContact CE1-CE1 3.59Å; Y94-Y105 HydrophobicContact CE1-CE1 3.59Å; S100-Y105 WeakPolarHBondContact CB-O 3.41Å; S100-Y105 PolarHBondContact OG-O 2.92Å; K102-Y105 CarbonylContact C-O 3.58Å; K102-Y105 WeakPolarHBondContact O-CA 3.33Å; K102-Y105 WeakPolarHBondContact O-CB 3.41Å; K102-Y105 PolarHBondContact O-N 3.37Å
106	C	98.4	Very high	98	Very high	28 Å²	28	69.7 Å²	69.7	19%	0.189	34%	0.341	C	S	.	.			trans	-79.6	133.3	173.5	-173.5	0	0	0	0	110.9	V93 G108 H110 P123	V93-C106 HydrophobicContact CB-CB 4.16Å; V93-C106 HydrophobicContact CG1-CB 3.51Å; V93-C106 PolarHBondContact O-N 3.36Å; C106-G108 PolarHBondContact SG-N 2.94Å; C106-H110 PolarHBondContact SG-CE1 3.41Å; C106-H110 PolarHBondContact SG-ND1 2.9Å; C106-H110 VanDerWaalsContact SG-ND1 3.39Å; C106-P123 HydrophobicContact CB-CB 3.85Å
107	D	98.1	Very high	97.9	Very high	62 Å²	62	66.7 Å²	66.7	33%	0.332	34%	0.339	S	S	.	.			trans	-115.4	6.3	174.2	66.1	-7.6	0	0	0	113.1	S100 S101 K102 A109	S100-D107 VanDerWaalsContact CA-OD1 3.31Å; S100-D107 WeakPolarHBondContact CA-OD1 3.33Å; S100-D107 WeakPolarHBondContact CA-OD2 3.33Å; S100-D107 WeakPolarHBondContact CB-OD1 3.49Å; S100-D107 PolarHBondContact OG-OD1 3.38Å; S100-D107 PolarHBondContact OG-OD2 3.42Å; S101-D107 WeakPolarHBondContact CB-OD2 3.3Å; S101-D107 PolarHBondContact N-OD2 3.48Å; S101-D107 PolarHBondContact OG-OD2 3.37Å; K102-D107 HydrophobicContact CD-CB 4.45Å; K102-D107 HydrophobicContact CG-CB 4.48Å; D107-A109 WeakPolarHBondContact OD1-CB 3.38Å; D107-A109 PolarHBondContact OD1-N 3.49Å
108	G	97.9	Very high	97.9	Very high	26 Å²	26	69.9 Å²	69.9	27%	0.268	37%	0.373	S	S	.	.	S	Bend	trans	90.9	-2.4	-176.7	0	0	0	0	0	115.4	C106 H110 N111	C106-G108 PolarHBondContact SG-N 2.94Å; G108-H110 PolarHBondContact O-N 3.01Å; G108-N111 WeakPolarHBondContact O-CB 3.45Å; G108-N111 PolarHBondContact O-N 3.17Å; G108-N111 PolarHBondContact O-ND2 2.99Å
109	A	98.3	Very high	97.9	Very high	27 Å²	27	69.8 Å²	69.8	22%	0.223	38%	0.377	C	S	.	.	H	α-helix	trans	-59.6	-18.5	-177.8	0	0	0	0	0	115	R99 D107 N111 H113	R99-A109 HydrophobicContact CB-CB 3.72Å; R99-A109 WeakPolarHBondContact O-CB 3.35Å; D107-A109 WeakPolarHBondContact OD1-CB 3.38Å; D107-A109 PolarHBondContact OD1-N 3.49Å; A109-N111 PolarHBondContact O-N 3.49Å; A109-H113 PolarHBondContact O-N 3.43Å
110	H	98.3	Very high	97.9	Very high	24 Å²	24	73.7 Å²	73.7	11%	0.111	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-28.1	173.9	60.9	-87.8	0	0	0	112.9	C97 C106 G108 H113 N114 V121	C97-H110 HydrophobicContact CB-CB 3.9Å; C106-H110 PolarHBondContact SG-CE1 3.41Å; C106-H110 PolarHBondContact SG-ND1 2.9Å; C106-H110 VanDerWaalsContact SG-ND1 3.39Å; G108-H110 PolarHBondContact O-N 3.01Å; H110-H113 PolarHBondContact O-N 3.21Å; H110-N114 WeakPolarHBondContact O-CB 3.29Å; H110-N114 PolarHBondContact O-N 2.93Å; H110-N114 PolarHBondContact O-ND2 3.07Å; H110-N114 PolarHBondContact O-OD1 2.9Å; H110-V121 HydrophobicContact CB-CG2 4.33Å
111	N	98.5	Very high	97.9	Very high	100 Å²	100	75.4 Å²	75.4	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-50.7	178.5	-68	-35.2	0	0	0	111.2	G108 A109 H113 N114 E115	G108-N111 WeakPolarHBondContact O-CB 3.45Å; G108-N111 PolarHBondContact O-N 3.17Å; G108-N111 PolarHBondContact O-ND2 2.99Å; A109-N111 PolarHBondContact O-N 3.49Å; N111-H113 PolarHBondContact O-N 2.92Å; N111-N114 PolarHBondContact O-N 2.9Å; N111-E115 PolarHBondContact O-N 3.39Å
112	K	98.3	Very high	97.9	Very high	133 Å²	133	71.4 Å²	71.4	58%	0.578	39%	0.388	S	S	*	.	H	α-helix	trans	-61.3	-44.1	176.6	-179.2	175.5	175.7	177.6	0	111.6	N114 E115 E116	K112-N114 PolarHBondContact O-N 3.32Å; K112-E115 PolarHBondContact O-N 2.96Å; K112-E116 WeakPolarHBondContact CE-OE1 3.23Å; K112-E116 HydrophobicContact CG-CG 4.37Å; K112-E116 IonicContact NZ-OE1 3.68Å; K112-E116 WeakPolarHBondContact O-CB 3.26Å; K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 2.85Å
113	H	97.9	Very high	98	Very high	24 Å²	24	66 Å²	66	11%	0.111	37%	0.368	C	S	.	.	H	α-helix	trans	-59	-47.2	176.2	169.6	88.5	0	0	0	111.8	R99 A109 H110 N111 E115 E116 T117 D119	R99-H113 HydrophobicContact CG-CB 4.04Å; R99-H113 PolarHBondContact NE-ND1 2.96Å; A109-H113 PolarHBondContact O-N 3.43Å; H110-H113 PolarHBondContact O-N 3.21Å; N111-H113 PolarHBondContact O-N 2.92Å; H113-E115 PolarHBondContact O-N 3.49Å; H113-E116 PolarHBondContact O-N 3.47Å; H113-T117 PolarHBondContact O-N 2.98Å; H113-T117 PolarHBondContact O-OG1 2.86Å; H113-D119 IonicContact CD2-OD2 3.65Å; H113-D119 IonicContact CE1-OD2 3.85Å; H113-D119 IonicContact NE2-OD2 2.8Å; H113-D119 PolarHBondContact NE2-OD2 2.68Å
114	N	98.4	Very high	98	Very high	32 Å²	32	68.2 Å²	68.2	17%	0.171	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-42.1	178.4	-71.7	-10.9	0	0	0	112.3	H110 N111 K112 G118 D119 V121	H110-N114 WeakPolarHBondContact O-CB 3.29Å; H110-N114 PolarHBondContact O-N 2.93Å; H110-N114 PolarHBondContact O-ND2 3.07Å; H110-N114 PolarHBondContact O-OD1 2.9Å; N111-N114 PolarHBondContact O-N 2.9Å; K112-N114 PolarHBondContact O-N 3.32Å; N114-G118 VanDerWaalsContact O-CA 3.27Å; N114-G118 WeakPolarHBondContact O-CA 3.49Å; N114-G118 PolarHBondContact O-N 3.28Å; N114-D119 WeakPolarHBondContact CB-O 3.42Å; N114-D119 PolarHBondContact O-N 3.13Å; N114-D119 PolarHBondContact OD1-O 2.71Å; N114-V121 PolarHBondContact ND2-O 3.36Å; N114-V121 WeakPolarHBondContact OD1-CG2 3.25Å; N114-V121 PolarHBondContact OD1-N 3.15Å; N114-V121 VanDerWaalsContact OD1-N 3.1Å
115	E	98.4	Very high	98	Very high	172 Å²	172	71 Å²	71	80%	0.804	39%	0.394	S	S	*	.	H	α-helix	trans	-62.8	-44.2	176.8	-174.2	177.2	-171.6	0	0	112	N111 K112 H113	N111-E115 PolarHBondContact O-N 3.39Å; K112-E115 PolarHBondContact O-N 2.96Å; H113-E115 PolarHBondContact O-N 3.49Å
116	E	97.9	Very high	97.9	Very high	134 Å²	134	69 Å²	69	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-73.9	-33.9	-178	-71.8	176.3	163.6	0	0	113.4	K112 H113	K112-E116 WeakPolarHBondContact CE-OE1 3.23Å; K112-E116 HydrophobicContact CG-CG 4.37Å; K112-E116 IonicContact NZ-OE1 3.68Å; K112-E116 WeakPolarHBondContact O-CB 3.26Å; K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 2.85Å; H113-E116 PolarHBondContact O-N 3.47Å
117	T	96.7	Very high	97.5	Very high	83 Å²	83	73.3 Å²	73.3	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-108	-7.7	-173	70.1	0	0	0	0	114.5	H113 D119	H113-T117 PolarHBondContact O-N 2.98Å; H113-T117 PolarHBondContact O-OG1 2.86Å; T117-D119 PolarHBondContact O-N 3.04Å; T117-D119 WeakPolarHBondContact OG1-CB 3.48Å; T117-D119 PolarHBondContact OG1-N 3.29Å
118	G	97.4	Very high	97.1	Very high	73 Å²	73	74 Å²	74	75%	0.753	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	23.1	-170.2	0	0	0	0	0	113.5	N114	N114-G118 VanDerWaalsContact O-CA 3.27Å; N114-G118 WeakPolarHBondContact O-CA 3.49Å; N114-G118 PolarHBondContact O-N 3.28Å
119	D	97.6	Very high	96.5	Very high	63 Å²	63	82.2 Å²	82.2	34%	0.337	44%	0.441	S	S	.	.			trans	-84.3	170.2	178.3	-163.8	0.9	0	0	0	110.7	H113 N114 T117	H113-D119 IonicContact CD2-OD2 3.65Å; H113-D119 IonicContact CE1-OD2 3.85Å; H113-D119 IonicContact NE2-OD2 2.8Å; H113-D119 PolarHBondContact NE2-OD2 2.68Å; N114-D119 WeakPolarHBondContact CB-O 3.42Å; N114-D119 PolarHBondContact O-N 3.13Å; N114-D119 PolarHBondContact OD1-O 2.71Å; T117-D119 PolarHBondContact O-N 3.04Å; T117-D119 WeakPolarHBondContact OG1-CB 3.48Å; T117-D119 PolarHBondContact OG1-N 3.29Å
120	N	98.2	Very high	95.6	Very high	146 Å²	146	89.3 Å²	89.3	78%	0.781	47%	0.467	S	S	*	.			trans	-132.3	27.8	-177.3	70.8	-14.2	0	0	0	113.2
121	V	98.3	Very high	94.5	Very high	40 Å²	40	93.8 Å²	93.8	24%	0.242	50%	0.501	C	S	.	.			trans	-70.9	145	179.8	-68.4	0	0	0	0	111.7	C97 H110 N114	C97-V121 HydrophobicContact CB-CB 4.48Å; C97-V121 HydrophobicContact CB-CG2 3.7Å; H110-V121 HydrophobicContact CB-CG2 4.33Å; N114-V121 PolarHBondContact ND2-O 3.36Å; N114-V121 WeakPolarHBondContact OD1-CG2 3.25Å; N114-V121 PolarHBondContact OD1-N 3.15Å; N114-V121 VanDerWaalsContact OD1-N 3.1Å
122	G	98.2	Very high	92.7	Very high	20 Å²	20	97.8 Å²	97.8	21%	0.206	54%	0.537	C	S	.	.			trans	-137.7	170	176.1	0	0	0	0	0	111.8	R96	R96-G122 PolarHBondContact NE-O 2.96Å; R96-G122 PolarHBondContact NH2-O 2.95Å; R96-G122 VanDerWaalsContact NH2-O 3.11Å
123	P	98.5	Very high	92.4	Very high	31 Å²	31	96 Å²	96	20%	0.201	54%	0.535	C	S	.	.			trans	-70.7	170.1	177.9	29.8	-33.3	0	0	0	112.6	V93 Y94 R96 C106	V93-P123 HydrophobicContact CG1-CB 3.39Å; V93-P123 HydrophobicContact CG1-CG 3.69Å; Y94-P123 CarbonylContact O-C 3.53Å; Y94-P123 WeakPolarHBondContact O-CA 3.44Å; Y94-P123 WeakPolarHBondContact O-CB 3.45Å; R96-P123 PolarHBondContact NE-O 3.37Å; R96-P123 PolarHBondContact NH2-O 3.46Å; C106-P123 HydrophobicContact CB-CB 3.85Å
124	L	98	Very high	92.1	Very high	82 Å²	82	99.8 Å²	99.8	43%	0.429	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.3	124.8	161.3	171.3	65.2	0	0	0	108.2	V93 Y94 R96 I126	V93-L124 CarbonylContact C-O 3.55Å; V93-L124 WeakPolarHBondContact CA-O 3.36Å; Y94-L124 PolarHBondContact N-O 3.29Å; Y94-L124 PolarHBondContact O-N 2.92Å; R96-L124 HydrophobicContact CG-CB 4.3Å; L124-I126 HydrophobicContact CD2-CD1 4.12Å; L124-I126 HydrophobicContact CD2-CG1 4.29Å; L124-I126 HydrophobicContact CG-CD1 4.46Å; L124-I126 HydrophobicContact CG-CG1 4.08Å
125	I	96.7	Very high	91.8	Very high	87 Å²	87	103.6 Å²	103.6	45%	0.446	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	126.2	177.3	-62.3	173.1	0	0	0	107.7	K91 K92 V93	K91-I125 HydrophobicContact CD-CG2 4.31Å; K91-I125 VanDerWaalsContact CE-CG2 3.49Å; K91-I125 HydrophobicContact CG-CG2 4.03Å; K92-I125 WeakPolarHBondContact O-CA 3.21Å; V93-I125 HydrophobicContact CG1-CG1 4.04Å; V93-I125 HydrophobicContact CG2-CG1 4.24Å
126	I	95.1	Very high	91.4	Very high	62 Å²	62	99.5 Å²	99.5	32%	0.318	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.3	122.2	173.6	-52.6	-176	0	0	0	107.1	I88 K91 K92 Y94 L124	I88-I126 HydrophobicContact CD1-CB 4.43Å; I88-I126 HydrophobicContact CD1-CD1 4.24Å; I88-I126 HydrophobicContact CD1-CG2 3.89Å; I88-I126 HydrophobicContact CG2-CG2 4.12Å; K91-I126 CarbonylContact C-O 3.58Å; K91-I126 WeakPolarHBondContact CA-O 3.37Å; K92-I126 PolarHBondContact N-O 3.34Å; K92-I126 PolarHBondContact O-N 3.03Å; Y94-I126 HydrophobicContact CD2-CD1 3.98Å; Y94-I126 HydrophobicContact CD2-CG1 4.13Å; Y94-I126 HydrophobicContact CE2-CB 4.34Å; Y94-I126 HydrophobicContact CE2-CD1 3.72Å; Y94-I126 HydrophobicContact CE2-CG1 4.04Å; L124-I126 HydrophobicContact CD2-CD1 4.12Å; L124-I126 HydrophobicContact CD2-CG1 4.29Å; L124-I126 HydrophobicContact CG-CD1 4.46Å; L124-I126 HydrophobicContact CG-CG1 4.08Å
127	E	91.5	Very high	91	Very high	119 Å²	119	97.4 Å²	97.4	56%	0.556	56%	0.561	S	S	*	*			trans	-133.8	144.3	175.9	59.8	-175.4	-161.1	0	0	109.5	K91	K91-E127 HydrophobicContact CB-CB 4.13Å; K91-E127 HydrophobicContact CG-CB 4.27Å
128	T	88.4	Confident	90.6	Very high	75 Å²	75	98.3 Å²	98.3	46%	0.46	57%	0.565	S	S	.	*			trans	-65.6	137.2	173	46.2	0	0	0	0	109	I88 T89 K130	I88-T128 WeakPolarHBondContact O-CG2 3.27Å; T89-T128 PolarHBondContact O-OG1 3.09Å; T128-K130 PolarHBondContact O-N 3.04Å; T128-K130 VanDerWaalsContact O-N 3.08Å
129	K	85.4	Confident	90.1	Very high	199 Å²	199	100.1 Å²	100.1	87%	0.865	55%	0.551	S	S	*	*			trans	-60.5	118.7	175.7	-176.6	-179.7	178.9	-176.2	0	107.7	S131	K129-S131 PolarHBondContact O-N 3.34Å; K129-S131 VanDerWaalsContact O-N 3.09Å
130	K	80.8	Confident	89.5	Confident	177 Å²	177	103 Å²	103	77%	0.77	57%	0.568	S	S	*	*			trans	-62.2	115	167.8	-63.4	-176.8	-177.8	-179.6	0	107	T128 S132	T128-K130 PolarHBondContact O-N 3.04Å; T128-K130 VanDerWaalsContact O-N 3.08Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.36Å
131	S	73.7	Confident	88.8	Confident	117 Å²	117	99.4 Å²	99.4	82%	0.818	55%	0.55	S	S	*	.			trans	-67.5	95.3	166.2	51.1	0	0	0	0	107.2	K129	K129-S131 PolarHBondContact O-N 3.34Å; K129-S131 VanDerWaalsContact O-N 3.09Å
132	S	60.9	Low	87.9	Confident	184 Å²	184	104.8 Å²	104.8	100%	1.287	58%	0.578	S	S	*	*			trans	-68.8	0	163	-59.7	0	0	0	0	110.8	K130	K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.36Å

Retrieved 132 of 132 residues in 114.5 ms (Link to these results)

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