A0A077Z9Q3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9Q3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 aa.

						>A0A077Z9Q3_TRITR|A0A077Z9Q3
MREIADTHKSTPFAERETKMATIYNINIEKKDLPARGGNFCTSLCFVTSKRDEFVWRSFLTMEVEDPPNEADPFSPSCEDSLMGTCGYFILLANLSLATTVSRVLQKCPNPLL
					

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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	39.4	Very low	39.7	Very low	253 Å²	253	150 Å²	150	100%	1.246	77%	0.774	S	S	*	*				0	101.5	0	-74.4	-172	-97.1	0	0	107.8
2	R	31	Very low	40.9	Very low	243 Å²	243	143.8 Å²	143.8	92%	0.917	75%	0.751	S	S	*	*			trans	-116.3	106.3	-177.9	-85.3	176.6	168.3	171.7	-4.5	105.6
3	E	33.6	Very low	41.7	Very low	194 Å²	194	138.8 Å²	138.8	91%	0.907	72%	0.72	S	S	*	*			trans	-179.3	53.1	167	-112.7	170.2	-171.4	0	0	113.6
4	I	39.1	Very low	42.5	Very low	157 Å²	157	133.2 Å²	133.2	81%	0.805	70%	0.704	S	S	*	*	S	Bend	trans	-132.6	-3.6	166.8	-51.2	177.9	0	0	0	111.9
5	A	37.6	Very low	43.4	Very low	93 Å²	93	130.6 Å²	130.6	77%	0.769	69%	0.687	S	S	*	*	S	Bend	trans	-89.9	-5.3	-167.4	0	0	0	0	0	116.2
6	D	36.4	Very low	44.2	Very low	114 Å²	114	127.7 Å²	127.7	61%	0.61	66%	0.663	S	S	*	*	S	Bend	trans	-117.5	-0.1	-166.8	-88.8	-45.2	0	0	0	117.1	K9	D6-K9 IonicContact OD1-NZ 3.54Å; D6-K9 PolarHBondContact OD1-NZ 3.26Å
7	T	39.7	Very low	45	Very low	129 Å²	129	122.5 Å²	122.5	79%	0.791	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-0.5	-177.6	0.9	0	0	0	0	115.3
8	H	43.5	Very low	45.8	Very low	145 Å²	145	120.6 Å²	120.6	67%	0.671	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	4.6	-179.6	-84.9	-81	0	0	0	114.9	R16	H8-R16 PolarHBondContact O-NH2 2.94Å
9	K	40.9	Very low	46.6	Very low	152 Å²	152	120.4 Å²	120.4	66%	0.661	62%	0.623	S	S	*	*	S	Bend	trans	-81	119.2	174.2	-73.1	171.4	177.8	161	0	109.9	D6	D6-K9 IonicContact OD1-NZ 3.54Å; D6-K9 PolarHBondContact OD1-NZ 3.26Å
10	S	48.9	Very low	47.2	Very low	116 Å²	116	117.2 Å²	117.2	81%	0.811	61%	0.606	S	S	*	*			trans	108.4	0.2	153.5	81.7	0	0	0	0	122.7	P12	S10-P12 WeakPolarHBondContact O-CD 3.49Å
11	T	47.1	Very low	47.9	Very low	54 Å²	54	112.7 Å²	112.7	33%	0.331	59%	0.586	S	S	.	*			trans	-75.3	121.4	162.2	43	0	0	0	0	109.2	F13 R16	T11-F13 PolarHBondContact O-N 3.38Å; T11-R16 PolarHBondContact OG1-NE 2.66Å; T11-R16 PolarHBondContact OG1-NH2 3.5Å
12	P	53.7	Low	49.2	Very low	76 Å²	76	105.7 Å²	105.7	49%	0.494	56%	0.558	S	S	.	*			trans	-51.4	137.7	173.6	-22.4	31.9	0	0	0	109.8	S10 A14 E15 R16	S10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-A14 PolarHBondContact O-N 3.45Å; P12-A14 VanDerWaalsContact O-N 3.15Å; P12-E15 WeakPolarHBondContact O-CB 3.31Å; P12-E15 PolarHBondContact O-N 3.5Å; P12-R16 PolarHBondContact O-N 3.22Å
13	F	50.8	Low	50.8	Low	78 Å²	78	99.9 Å²	99.9	34%	0.342	54%	0.544	S	S	.	.	H	α-helix	trans	-55.7	-35.9	-174.6	178	-97.2	0	0	0	112.5	T11 E15 R16 E17 M83	T11-F13 PolarHBondContact O-N 3.38Å; F13-E15 PolarHBondContact O-N 3.15Å; F13-R16 WeakPolarHBondContact O-CA 3.26Å; F13-R16 WeakPolarHBondContact O-CB 3.25Å; F13-R16 PolarHBondContact O-N 3.13Å; F13-E17 HydrophobicContact CD1-CG 3.91Å; F13-E17 HydrophobicContact CE1-CG 3.46Å; F13-E17 VanDerWaalsContact CE1-CG 3.46Å; F13-E17 WeakPolarHBondContact CE1-OE1 3.15Å; F13-E17 HydrophobicContact CE2-CG 4.43Å; F13-E17 HydrophobicContact CZ-CG 3.74Å; F13-E17 WeakPolarHBondContact CZ-OE1 3.12Å; F13-E17 PolarHBondContact O-N 2.72Å; F13-M83 HydrophobicContact CE1-CB 3.72Å; F13-M83 HydrophobicContact CE1-CE 3.58Å; F13-M83 HydrophobicContact CE1-CG 4.31Å; F13-M83 HydrophobicContact CZ-CB 3.83Å; F13-M83 HydrophobicContact CZ-CE 4.25Å
14	A	53.2	Low	52.1	Low	61 Å²	61	95.7 Å²	95.7	50%	0.504	52%	0.52	S	S	.	.	H	α-helix	trans	-54.5	-35.4	172.6	0	0	0	0	0	113.7	P12 T18	P12-A14 PolarHBondContact O-N 3.45Å; P12-A14 VanDerWaalsContact O-N 3.15Å; A14-T18 WeakPolarHBondContact O-CB 3.19Å; A14-T18 PolarHBondContact O-N 2.98Å; A14-T18 PolarHBondContact O-OG1 3.38Å
15	E	55.7	Low	53.4	Low	94 Å²	94	92.3 Å²	92.3	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-71.8	-33.2	175	-67	-171.3	172.5	0	0	112.3	P12 F13 K19	P12-E15 WeakPolarHBondContact O-CB 3.31Å; P12-E15 PolarHBondContact O-N 3.5Å; F13-E15 PolarHBondContact O-N 3.15Å; E15-K19 VanDerWaalsContact O-CB 3.31Å; E15-K19 WeakPolarHBondContact O-CB 3.31Å; E15-K19 WeakPolarHBondContact O-CD 3.16Å; E15-K19 WeakPolarHBondContact O-CG 3.32Å; E15-K19 PolarHBondContact O-N 3.31Å
16	R	57.4	Low	55	Low	84 Å²	84	88.3 Å²	88.3	32%	0.317	47%	0.47	S	S	.	.	H	α-helix	trans	-70.2	-42.4	176.6	-67.4	-175.4	177.3	169.2	4.8	111.1	H8 T11 P12 F13 K19 M20	H8-R16 PolarHBondContact O-NH2 2.94Å; T11-R16 PolarHBondContact OG1-NE 2.66Å; T11-R16 PolarHBondContact OG1-NH2 3.5Å; P12-R16 PolarHBondContact O-N 3.22Å; F13-R16 WeakPolarHBondContact O-CA 3.26Å; F13-R16 WeakPolarHBondContact O-CB 3.25Å; F13-R16 PolarHBondContact O-N 3.13Å; R16-K19 PolarHBondContact O-N 3.42Å; R16-M20 HydrophobicContact CB-CE 4.3Å; R16-M20 WeakPolarHBondContact O-CB 3.44Å; R16-M20 WeakPolarHBondContact O-CG 3.12Å; R16-M20 PolarHBondContact O-N 3.01Å
17	E	57.5	Low	56.6	Low	40 Å²	40	86.4 Å²	86.4	19%	0.187	46%	0.46	C	S	.	.	H	α-helix	trans	-63	-47.4	174.7	-66.6	-165	124.4	0	0	111.4	F13 K19 M20 A21 M83	F13-E17 HydrophobicContact CD1-CG 3.91Å; F13-E17 HydrophobicContact CE1-CG 3.46Å; F13-E17 VanDerWaalsContact CE1-CG 3.46Å; F13-E17 WeakPolarHBondContact CE1-OE1 3.15Å; F13-E17 HydrophobicContact CE2-CG 4.43Å; F13-E17 HydrophobicContact CZ-CG 3.74Å; F13-E17 WeakPolarHBondContact CZ-OE1 3.12Å; F13-E17 PolarHBondContact O-N 2.72Å; E17-K19 VanDerWaalsContact C-N 3.28Å; E17-K19 PolarHBondContact O-N 2.97Å; E17-M20 PolarHBondContact O-N 3.27Å; E17-M20 VanDerWaalsContact O-N 3.16Å; E17-A21 WeakPolarHBondContact O-CB 3.43Å; E17-A21 PolarHBondContact O-N 2.92Å; E17-M83 WeakPolarHBondContact OE1-CE 3.47Å
18	T	58.7	Low	58.1	Low	88 Å²	88	82.1 Å²	82.1	54%	0.54	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-41.5	178	-55.8	0	0	0	0	110.8	A14 T22	A14-T18 WeakPolarHBondContact O-CB 3.19Å; A14-T18 PolarHBondContact O-N 2.98Å; A14-T18 PolarHBondContact O-OG1 3.38Å; T18-T22 VanDerWaalsContact O-CB 3.26Å; T18-T22 WeakPolarHBondContact O-CB 3.2Å; T18-T22 PolarHBondContact O-N 3.39Å; T18-T22 PolarHBondContact O-OG1 2.81Å
19	K	61	Low	59.3	Low	116 Å²	116	80.8 Å²	80.8	50%	0.504	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-46.3	174.7	-77.3	170.2	-178.2	168.1	0	111.9	E15 R16 E17 T22 I23	E15-K19 VanDerWaalsContact O-CB 3.31Å; E15-K19 WeakPolarHBondContact O-CB 3.31Å; E15-K19 WeakPolarHBondContact O-CD 3.16Å; E15-K19 WeakPolarHBondContact O-CG 3.32Å; E15-K19 PolarHBondContact O-N 3.31Å; R16-K19 PolarHBondContact O-N 3.42Å; E17-K19 VanDerWaalsContact C-N 3.28Å; E17-K19 PolarHBondContact O-N 2.97Å; K19-T22 PolarHBondContact O-N 3Å; K19-I23 WeakPolarHBondContact O-CB 3.39Å; K19-I23 WeakPolarHBondContact O-CD1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.33Å; K19-I23 PolarHBondContact O-N 2.75Å
20	M	58	Low	60.7	Low	57 Å²	57	76.2 Å²	76.2	28%	0.281	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-45	179.2	-76.6	-169.2	-87.7	0	0	112.4	R16 E17 T22 I23 Y24	R16-M20 HydrophobicContact CB-CE 4.3Å; R16-M20 WeakPolarHBondContact O-CB 3.44Å; R16-M20 WeakPolarHBondContact O-CG 3.12Å; R16-M20 PolarHBondContact O-N 3.01Å; E17-M20 PolarHBondContact O-N 3.27Å; E17-M20 VanDerWaalsContact O-N 3.16Å; M20-T22 VanDerWaalsContact C-N 3.28Å; M20-T22 PolarHBondContact O-N 3.29Å; M20-I23 PolarHBondContact O-N 3.16Å; M20-Y24 VanDerWaalsContact O-CD2 3.32Å; M20-Y24 WeakPolarHBondContact O-CD2 3.15Å; M20-Y24 PolarHBondContact O-N 2.89Å
21	A	62.6	Low	61.7	Low	22 Å²	22	76.6 Å²	76.6	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-53.7	-46.6	173.4	0	0	0	0	0	111.3	E17 N25 I26	E17-A21 WeakPolarHBondContact O-CB 3.43Å; E17-A21 PolarHBondContact O-N 2.92Å; A21-N25 CarbonylContact O-C 3.01Å; A21-N25 VanDerWaalsContact O-CA 3.25Å; A21-N25 WeakPolarHBondContact O-CA 3.24Å; A21-N25 PolarHBondContact O-N 3.35Å; A21-I26 CarbonylContact C-O 3.59Å; A21-I26 WeakPolarHBondContact CA-O 3.37Å; A21-I26 WeakPolarHBondContact CB-O 3.17Å; A21-I26 PolarHBondContact O-N 3.5Å
22	T	65.9	Low	62.7	Low	107 Å²	107	76.4 Å²	76.4	66%	0.656	39%	0.39	S	S	*	.	H	α-helix	trans	-67	-45.4	178.6	-55.9	0	0	0	0	112.2	T18 K19 M20 Y24 N25	T18-T22 VanDerWaalsContact O-CB 3.26Å; T18-T22 WeakPolarHBondContact O-CB 3.2Å; T18-T22 PolarHBondContact O-N 3.39Å; T18-T22 PolarHBondContact O-OG1 2.81Å; K19-T22 PolarHBondContact O-N 3Å; M20-T22 VanDerWaalsContact C-N 3.28Å; M20-T22 PolarHBondContact O-N 3.29Å; T22-Y24 PolarHBondContact O-N 2.92Å; T22-N25 PolarHBondContact O-N 2.76Å
23	I	65.1	Low	63.3	Low	120 Å²	120	75 Å²	75	62%	0.615	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-43.2	-178	-72.1	163.7	0	0	0	111.2	K19 M20	K19-I23 WeakPolarHBondContact O-CB 3.39Å; K19-I23 WeakPolarHBondContact O-CD1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.33Å; K19-I23 PolarHBondContact O-N 2.75Å; M20-I23 PolarHBondContact O-N 3.16Å
24	Y	60.5	Low	63.8	Low	106 Å²	106	76.4 Å²	76.4	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-97.5	1.3	-174.4	-64.3	-71.6	0	0	0	113.6	M20 T22 I26 N94	M20-Y24 VanDerWaalsContact O-CD2 3.32Å; M20-Y24 WeakPolarHBondContact O-CD2 3.15Å; M20-Y24 PolarHBondContact O-N 2.89Å; T22-Y24 PolarHBondContact O-N 2.92Å; Y24-I26 PolarHBondContact O-N 2.77Å; Y24-N94 VanDerWaalsContact CD1-OD1 3.32Å; Y24-N94 WeakPolarHBondContact CD1-OD1 3.48Å; Y24-N94 WeakPolarHBondContact CE1-OD1 3.49Å
25	N	68.1	Low	64.1	Low	86 Å²	86	75.2 Å²	75.2	46%	0.46	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	42.5	-173	-163.2	30.8	0	0	0	112.5	A21 T22	A21-N25 CarbonylContact O-C 3.01Å; A21-N25 VanDerWaalsContact O-CA 3.25Å; A21-N25 WeakPolarHBondContact O-CA 3.24Å; A21-N25 PolarHBondContact O-N 3.35Å; T22-N25 PolarHBondContact O-N 2.76Å
26	I	69.4	Low	64.1	Low	10 Å²	10	82.6 Å²	82.6	5%	0.051	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.4	177.6	63.5	-179.7	0	0	0	109.7	A21 Y24 I28 V47 T48 I90	A21-I26 CarbonylContact C-O 3.59Å; A21-I26 WeakPolarHBondContact CA-O 3.37Å; A21-I26 WeakPolarHBondContact CB-O 3.17Å; A21-I26 PolarHBondContact O-N 3.5Å; Y24-I26 PolarHBondContact O-N 2.77Å; I26-I28 HydrophobicContact CD1-CD1 4.32Å; I26-I28 HydrophobicContact CD1-CG1 4.32Å; I26-I28 HydrophobicContact CG1-CG1 4.4Å; I26-V47 HydrophobicContact CB-CG1 4.06Å; I26-V47 HydrophobicContact CD1-CG1 3.96Å; I26-V47 HydrophobicContact CG1-CG1 4.43Å; I26-V47 HydrophobicContact CG2-CG1 4.41Å; I26-T48 CarbonylContact C-O 3.58Å; I26-T48 VanDerWaalsContact CA-O 3.24Å; I26-T48 WeakPolarHBondContact CA-O 3.17Å; I26-I90 HydrophobicContact CD1-CG2 3.56Å
27	N	71.4	Confident	64	Low	74 Å²	74	81 Å²	81	40%	0.396	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	166.7	-62.1	-27.2	0	0	0	108.5	V47 T48	N27-V47 CarbonylContact O-C 3.46Å; N27-V47 WeakPolarHBondContact O-CA 3.29Å; N27-T48 WeakPolarHBondContact CB-OG1 3.17Å; N27-T48 PolarHBondContact N-O 3.49Å; N27-T48 PolarHBondContact O-N 2.84Å; N27-T48 PolarHBondContact O-OG1 2.81Å
28	I	69.6	Low	64.3	Low	38 Å²	38	81.6 Å²	81.6	20%	0.195	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.7	176.7	-54.6	160.2	0	0	0	106.6	I26 F46 V47 I90	I26-I28 HydrophobicContact CD1-CD1 4.32Å; I26-I28 HydrophobicContact CD1-CG1 4.32Å; I26-I28 HydrophobicContact CG1-CG1 4.4Å; I28-F46 CarbonylContact C-O 3.51Å; I28-F46 VanDerWaalsContact CA-O 3.29Å; I28-F46 WeakPolarHBondContact CA-O 2.91Å; I28-V47 HydrophobicContact CG1-CG1 4.44Å; I28-I90 HydrophobicContact CD1-CD1 3.31Å; I28-I90 HydrophobicContact CG1-CD1 3.66Å; I28-I90 HydrophobicContact CG2-CD1 4.2Å
29	E	70.6	Confident	64.8	Low	117 Å²	117	79.9 Å²	79.9	55%	0.547	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.3	174	-58.3	175.8	-179.4	0	0	108.4	F46	E29-F46 HydrophobicContact CB-CB 4.17Å; E29-F46 PolarHBondContact N-O 2.96Å; E29-F46 PolarHBondContact O-N 2.86Å
30	K	69.2	Low	65.2	Low	56 Å²	56	78.4 Å²	78.4	24%	0.243	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.3	168.2	169.8	174.5	155.3	-158.8	0	108.4	D32 E79 M83	K30-D32 WeakPolarHBondContact CE-OD1 3.24Å; K30-D32 VanDerWaalsContact CE-OD2 3.26Å; K30-D32 WeakPolarHBondContact CE-OD2 3.33Å; K30-D32 IonicContact NZ-OD1 3.77Å; K30-D32 IonicContact NZ-OD2 2.91Å; K30-E79 IonicContact NZ-OE1 2.73Å; K30-E79 PolarHBondContact NZ-OE1 3.44Å; K30-M83 HydrophobicContact CB-SD 4.03Å; K30-M83 HydrophobicContact CD-CE 4.37Å; K30-M83 HydrophobicContact CD-CG 4.01Å; K30-M83 HydrophobicContact CD-SD 3.14Å; K30-M83 WeakPolarHBondContact CD-SD 3.29Å; K30-M83 HydrophobicContact CG-SD 4.08Å
31	K	70.3	Confident	65.6	Low	125 Å²	125	75.8 Å²	75.8	54%	0.543	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.8	166.9	-175.9	174.8	-177.4	175.5	0	108.9	L44 F46	K31-L44 HydrophobicContact CB-CB 4.39Å; K31-L44 PolarHBondContact N-O 3.42Å; K31-L44 PolarHBondContact O-N 3.2Å; K31-F46 HydrophobicContact CB-CE2 3.98Å
32	D	67.6	Low	65.8	Low	50 Å²	50	76 Å²	76	27%	0.267	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.3	172.4	-69.1	-49	0	0	0	111.5	K30 S43 F74	K30-D32 WeakPolarHBondContact CE-OD1 3.24Å; K30-D32 VanDerWaalsContact CE-OD2 3.26Å; K30-D32 WeakPolarHBondContact CE-OD2 3.33Å; K30-D32 IonicContact NZ-OD1 3.77Å; K30-D32 IonicContact NZ-OD2 2.91Å; D32-S43 PolarHBondContact OD1-OG 3.43Å; D32-F74 HydrophobicContact CB-CD1 4.33Å; D32-F74 HydrophobicContact CB-CE1 3.38Å; D32-F74 HydrophobicContact CB-CZ 3.6Å
33	L	66	Low	66	Low	46 Å²	46	70.9 Å²	70.9	24%	0.241	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137	175.5	-65	178.4	0	0	0	108	A35 T42 L44 F59	L33-A35 PolarHBondContact O-N 3.07Å; L33-T42 HydrophobicContact CB-CG2 3.99Å; L33-T42 WeakPolarHBondContact CB-O 3.45Å; L33-T42 HydrophobicContact CD1-CG2 3.82Å; L33-T42 HydrophobicContact CG-CG2 4.44Å; L33-T42 PolarHBondContact N-O 3.05Å; L33-T42 VanDerWaalsContact O-O 3.08Å; L33-L44 HydrophobicContact CD1-CB 4.02Å; L33-L44 HydrophobicContact CG-CB 4.24Å; L33-F59 HydrophobicContact CD1-CD1 3.87Å; L33-F59 HydrophobicContact CD1-CE1 3.89Å
34	P	62.3	Low	66.2	Low	107 Å²	107	65.9 Å²	65.9	70%	0.695	35%	0.346	S	S	*	.			trans	-57.7	129	176.6	24.4	-32.6	0	0	0	109	R36	P34-R36 PolarHBondContact O-N 3.45Å
35	A	60.1	Low	66.7	Low	37 Å²	37	61 Å²	61	31%	0.306	33%	0.327	S	S	.	.			trans	-52.1	122.9	172.9	0	0	0	0	0	108.9	L33 G37 F40 P68	L33-A35 PolarHBondContact O-N 3.07Å; A35-G37 PolarHBondContact O-N 3.03Å; A35-F40 WeakPolarHBondContact CB-O 3.34Å; A35-P68 HydrophobicContact CB-CG 4.5Å
36	R	55.6	Low	66.8	Low	249 Å²	249	58.5 Å²	58.5	94%	0.94	31%	0.312	S	S	*	.			trans	-78.5	60.7	174	-85.3	-169	169.5	-167.2	-1.5	110.1	P34	P34-R36 PolarHBondContact O-N 3.45Å
37	G	55.5	Low	66.9	Low	51 Å²	51	58.4 Å²	58.4	53%	0.526	31%	0.312	S	S	.	.	S	Bend	trans	65.9	156.1	179.8	0	0	0	0	0	114.1	A35	A35-G37 PolarHBondContact O-N 3.03Å
38	G	63.4	Low	67	Low	51 Å²	51	56.5 Å²	56.5	53%	0.526	30%	0.303	S	S	.	.	S	Bend	trans	75.5	-163.3	178.5	0	0	0	0	0	114.3	F40	G38-F40 PolarHBondContact O-N 2.91Å
39	N	69.5	Low	67	Low	53 Å²	53	54.9 Å²	54.9	28%	0.283	30%	0.295	S	S	.	.	S	Bend	trans	-81.7	40	-173	-82.3	20.6	0	0	0	111.9	E63 V64 E65 P67	N39-E63 HydrophobicContact CB-CG 4.33Å; N39-E63 CarbonylContact O-C 3.56Å; N39-E63 VanDerWaalsContact O-CA 3.22Å; N39-E63 WeakPolarHBondContact O-CA 3.43Å; N39-V64 WeakPolarHBondContact CB-O 3.32Å; N39-V64 PolarHBondContact ND2-O 2.73Å; N39-V64 VanDerWaalsContact O-CG2 3.31Å; N39-V64 WeakPolarHBondContact O-CG2 3.23Å; N39-V64 PolarHBondContact O-N 3.48Å; N39-E65 PolarHBondContact ND2-O 3.27Å; N39-E65 VanDerWaalsContact ND2-O 3.09Å; N39-P67 VanDerWaalsContact OD1-CB 3.27Å; N39-P67 WeakPolarHBondContact OD1-CB 3.21Å; N39-P67 VanDerWaalsContact OD1-CD 3.26Å; N39-P67 WeakPolarHBondContact OD1-CD 3.26Å; N39-P67 WeakPolarHBondContact OD1-CG 3.28Å
40	F	68.4	Low	66.9	Low	84 Å²	84	57.3 Å²	57.3	37%	0.368	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.9	-173.7	-63	-79.5	0	0	0	113.4	A35 G38 T61 M62 E63	A35-F40 WeakPolarHBondContact CB-O 3.34Å; G38-F40 PolarHBondContact O-N 2.91Å; F40-T61 HydrophobicContact CB-CG2 4.25Å; F40-T61 HydrophobicContact CD1-CG2 4.1Å; F40-T61 HydrophobicContact CG-CG2 4.48Å; F40-M62 CarbonylContact C-O 3.6Å; F40-M62 WeakPolarHBondContact CA-O 3.16Å; F40-E63 HydrophobicContact CD1-CB 3.97Å; F40-E63 HydrophobicContact CD1-CG 4.24Å; F40-E63 HydrophobicContact CE1-CB 3.67Å; F40-E63 HydrophobicContact CE1-CG 3.76Å; F40-E63 HydrophobicContact CZ-CG 4.15Å
41	C	66.3	Low	66.8	Low	2 Å²	2	63.8 Å²	63.8	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.6	-179	-95	0	0	0	0	108.5	T61 M62 V64 C78 L82	C41-T61 CarbonylContact O-C 3.58Å; C41-T61 VanDerWaalsContact O-CA 3.29Å; C41-T61 WeakPolarHBondContact O-CA 3.33Å; C41-M62 PolarHBondContact N-O 3.42Å; C41-M62 PolarHBondContact O-N 2.76Å; C41-V64 HydrophobicContact CB-CG1 3.96Å; C41-V64 VanDerWaalsContact SG-CG1 3.57Å; C41-C78 HydrophobicContact CB-CB 4.03Å; C41-C78 WeakPolarHBondContact CB-SG 3.26Å; C41-C78 WeakPolarHBondContact SG-CB 3.14Å; C41-C78 CovalentContact SG-SG 2Å; C41-C78 PolarHBondContact SG-SG 3.24Å; C41-L82 HydrophobicContact CB-CD1 4.02Å
42	T	68.3	Low	66.6	Low	26 Å²	26	61.9 Å²	61.9	16%	0.16	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125	-177.8	-53.7	0	0	0	0	111.5	L33 L60 T61	L33-T42 HydrophobicContact CB-CG2 3.99Å; L33-T42 WeakPolarHBondContact CB-O 3.45Å; L33-T42 HydrophobicContact CD1-CG2 3.82Å; L33-T42 HydrophobicContact CG-CG2 4.44Å; L33-T42 PolarHBondContact N-O 3.05Å; L33-T42 VanDerWaalsContact O-O 3.08Å; T42-L60 CarbonylContact C-O 3.43Å; T42-L60 WeakPolarHBondContact CA-O 3.39Å; T42-L60 WeakPolarHBondContact CG2-O 3.36Å; T42-T61 PolarHBondContact OG1-OG1 2.97Å
43	S	68.1	Low	66.8	Low	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.9	170.2	-60.5	0	0	0	0	110.5	D32 L60 L82	D32-S43 PolarHBondContact OD1-OG 3.43Å; S43-L60 PolarHBondContact N-O 2.87Å; S43-L60 PolarHBondContact O-N 2.79Å; S43-L82 WeakPolarHBondContact OG-CD1 3.48Å
44	L	70.5	Confident	66.7	Low	16 Å²	16	68.6 Å²	68.6	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.5	171.6	-178.8	56.6	0	0	0	108.2	K31 L33 F46 R57 S58 F59	K31-L44 HydrophobicContact CB-CB 4.39Å; K31-L44 PolarHBondContact N-O 3.42Å; K31-L44 PolarHBondContact O-N 3.2Å; L33-L44 HydrophobicContact CD1-CB 4.02Å; L33-L44 HydrophobicContact CG-CB 4.24Å; L44-F46 HydrophobicContact CB-CE2 4.18Å; L44-F46 HydrophobicContact CD1-CZ 4.43Å; L44-F46 HydrophobicContact CD2-CE1 4.1Å; L44-F46 HydrophobicContact CD2-CE2 3.42Å; L44-F46 VanDerWaalsContact CD2-CE2 3.42Å; L44-F46 HydrophobicContact CD2-CZ 3.16Å; L44-F46 HydrophobicContact CG-CD2 4.06Å; L44-F46 HydrophobicContact CG-CE1 4.34Å; L44-F46 HydrophobicContact CG-CE2 3.38Å; L44-F46 HydrophobicContact CG-CZ 3.55Å; L44-R57 HydrophobicContact CD1-CB 4.45Å; L44-S58 WeakPolarHBondContact CA-O 3.28Å; L44-S58 WeakPolarHBondContact CD1-O 3.29Å; L44-F59 HydrophobicContact CD1-CD1 3.81Å; L44-F59 HydrophobicContact CD1-CD2 3.97Å; L44-F59 HydrophobicContact CD1-CE1 3.69Å; L44-F59 HydrophobicContact CD1-CE2 3.85Å; L44-F59 HydrophobicContact CD1-CG 3.96Å; L44-F59 HydrophobicContact CD1-CZ 3.7Å; L44-F59 HydrophobicContact CD2-CE1 4.02Å; L44-F59 HydrophobicContact CD2-CZ 4.15Å; L44-F59 HydrophobicContact CG-CE1 4.31Å
45	C	70.7	Confident	67.1	Low	3 Å²	3	67.4 Å²	67.4	2%	0.02	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.1	175.4	-173.9	0	0	0	0	109.8	R57 S58 L60 C86	C45-R57 CarbonylContact O-C 3.59Å; C45-R57 VanDerWaalsContact O-CA 3.3Å; C45-R57 WeakPolarHBondContact O-CA 3.45Å; C45-S58 PolarHBondContact N-O 2.82Å; C45-S58 PolarHBondContact O-N 3.15Å; C45-L60 HydrophobicContact CB-CD1 4.01Å; C45-C86 HydrophobicContact CB-CB 4.12Å; C45-C86 WeakPolarHBondContact CB-SG 3.39Å; C45-C86 VanDerWaalsContact SG-CB 3.58Å; C45-C86 VanDerWaalsContact SG-SG 3.61Å
46	F	71.4	Confident	67.6	Low	34 Å²	34	70.3 Å²	70.3	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.8	171.7	-60.6	-96.1	0	0	0	108.5	I28 E29 K31 L44 W56 R57	I28-F46 CarbonylContact C-O 3.51Å; I28-F46 VanDerWaalsContact CA-O 3.29Å; I28-F46 WeakPolarHBondContact CA-O 2.91Å; E29-F46 HydrophobicContact CB-CB 4.17Å; E29-F46 PolarHBondContact N-O 2.96Å; E29-F46 PolarHBondContact O-N 2.86Å; K31-F46 HydrophobicContact CB-CE2 3.98Å; L44-F46 HydrophobicContact CB-CE2 4.18Å; L44-F46 HydrophobicContact CD1-CZ 4.43Å; L44-F46 HydrophobicContact CD2-CE1 4.1Å; L44-F46 HydrophobicContact CD2-CE2 3.42Å; L44-F46 VanDerWaalsContact CD2-CE2 3.42Å; L44-F46 HydrophobicContact CD2-CZ 3.16Å; L44-F46 HydrophobicContact CG-CD2 4.06Å; L44-F46 HydrophobicContact CG-CE1 4.34Å; L44-F46 HydrophobicContact CG-CE2 3.38Å; L44-F46 HydrophobicContact CG-CZ 3.55Å; F46-W56 CarbonylContact C-O 3.57Å; F46-W56 WeakPolarHBondContact CA-O 3.48Å; F46-R57 HydrophobicContact CD1-CG 3.6Å; F46-R57 HydrophobicContact CE1-CG 3.85Å
47	V	71.4	Confident	68.4	Low	8 Å²	8	66.4 Å²	66.4	5%	0.048	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.5	170.7	-173	0	0	0	0	106.8	I26 N27 I28 V55 W56 I90	I26-V47 HydrophobicContact CB-CG1 4.06Å; I26-V47 HydrophobicContact CD1-CG1 3.96Å; I26-V47 HydrophobicContact CG1-CG1 4.43Å; I26-V47 HydrophobicContact CG2-CG1 4.41Å; N27-V47 CarbonylContact O-C 3.46Å; N27-V47 WeakPolarHBondContact O-CA 3.29Å; I28-V47 HydrophobicContact CG1-CG1 4.44Å; V47-V55 CarbonylContact O-C 3.52Å; V47-V55 WeakPolarHBondContact O-CA 3.45Å; V47-W56 HydrophobicContact CB-CB 4.15Å; V47-W56 PolarHBondContact N-O 3.34Å; V47-W56 PolarHBondContact O-N 2.94Å; V47-I90 HydrophobicContact CB-CG1 4.5Å; V47-I90 HydrophobicContact CG1-CG1 4.17Å; V47-I90 HydrophobicContact CG2-CD1 3.96Å; V47-I90 HydrophobicContact CG2-CG1 3.56Å
48	T	72	Confident	69.1	Low	34 Å²	34	64.7 Å²	64.7	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.8	-179.2	60	0	0	0	0	109.7	I26 N27 F54 V55	I26-T48 CarbonylContact C-O 3.58Å; I26-T48 VanDerWaalsContact CA-O 3.24Å; I26-T48 WeakPolarHBondContact CA-O 3.17Å; N27-T48 WeakPolarHBondContact CB-OG1 3.17Å; N27-T48 PolarHBondContact N-O 3.49Å; N27-T48 PolarHBondContact O-N 2.84Å; N27-T48 PolarHBondContact O-OG1 2.81Å; T48-F54 CarbonylContact C-O 3.52Å; T48-F54 WeakPolarHBondContact CA-O 3.49Å; T48-V55 HydrophobicContact CG2-CB 4.49Å; T48-V55 HydrophobicContact CG2-CG1 4.11Å; T48-V55 HydrophobicContact CG2-CG2 4.07Å
49	S	69.4	Low	69.3	Low	4 Å²	4	68.8 Å²	68.8	3%	0.028	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.9	167.3	-179.1	0	0	0	0	107.9	R51 D52 E53 F54	S49-R51 PolarHBondContact O-N 3.45Å; S49-R51 PolarHBondContact OG-N 2.94Å; S49-D52 PolarHBondContact OG-N 2.96Å; S49-D52 VanDerWaalsContact OG-N 3.15Å; S49-D52 PolarHBondContact OG-OD2 3.34Å; S49-E53 PolarHBondContact O-N 3.43Å; S49-F54 PolarHBondContact N-O 3.42Å; S49-F54 PolarHBondContact O-N 2.78Å; S49-F54 VanDerWaalsContact O-N 3.13Å
50	K	68.6	Low	69.3	Low	168 Å²	168	66.8 Å²	66.8	73%	0.73	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.1	171.5	-71.8	-172.5	178.5	-179.5	0	112
51	R	68.6	Low	69.3	Low	191 Å²	191	67.1 Å²	67.1	72%	0.721	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-42	-179.3	-177.6	-179	179.6	179.6	-0.9	111.9	S49	S49-R51 PolarHBondContact O-N 3.45Å; S49-R51 PolarHBondContact OG-N 2.94Å
52	D	66.4	Low	69.4	Low	85 Å²	85	69.6 Å²	69.6	46%	0.455	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	8.7	-172.3	-48.1	-59.4	0	0	0	112.3	S49 F54	S49-D52 PolarHBondContact OG-N 2.96Å; S49-D52 VanDerWaalsContact OG-N 3.15Å; S49-D52 PolarHBondContact OG-OD2 3.34Å; D52-F54 HydrophobicContact CB-CB 4.28Å; D52-F54 PolarHBondContact O-N 3.42Å; D52-F54 VanDerWaalsContact O-N 3.07Å
53	E	69.8	Low	69.5	Low	184 Å²	184	74.8 Å²	74.8	86%	0.86	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	35.3	-173.8	-59.9	-172.3	150.4	0	0	112.7	S49	S49-E53 PolarHBondContact O-N 3.43Å
54	F	65.4	Low	69.5	Low	53 Å²	53	75.1 Å²	75.1	23%	0.232	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.7	-173.4	173.8	-99.2	0	0	0	110.6	T48 S49 D52 W56 A93	T48-F54 CarbonylContact C-O 3.52Å; T48-F54 WeakPolarHBondContact CA-O 3.49Å; S49-F54 PolarHBondContact N-O 3.42Å; S49-F54 PolarHBondContact O-N 2.78Å; S49-F54 VanDerWaalsContact O-N 3.13Å; D52-F54 HydrophobicContact CB-CB 4.28Å; D52-F54 PolarHBondContact O-N 3.42Å; D52-F54 VanDerWaalsContact O-N 3.07Å; F54-W56 HydrophobicContact CE1-CB 3.56Å; F54-W56 HydrophobicContact CE2-CE3 4.35Å; F54-W56 HydrophobicContact CZ-CB 3.63Å; F54-W56 HydrophobicContact CZ-CD2 4.32Å; F54-W56 AromaticContact CZ-CE3 3.82Å; F54-W56 HydrophobicContact CZ-CE3 3.82Å; F54-W56 HydrophobicContact CZ-CG 4.31Å; F54-A93 HydrophobicContact CZ-CB 4.46Å
55	V	70.1	Confident	69.1	Low	82 Å²	82	83.3 Å²	83.3	50%	0.497	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.7	173.1	178.6	0	0	0	0	108.6	V47 T48 R57	V47-V55 CarbonylContact O-C 3.52Å; V47-V55 WeakPolarHBondContact O-CA 3.45Å; T48-V55 HydrophobicContact CG2-CB 4.49Å; T48-V55 HydrophobicContact CG2-CG1 4.11Å; T48-V55 HydrophobicContact CG2-CG2 4.07Å; V55-R57 HydrophobicContact CG1-CG 4.3Å
56	W	70.9	Confident	68.8	Low	99 Å²	99	89.1 Å²	89.1	38%	0.375	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.2	171.7	-174.5	-93	0	0	0	110.3	F46 V47 F54 F89	F46-W56 CarbonylContact C-O 3.57Å; F46-W56 WeakPolarHBondContact CA-O 3.48Å; V47-W56 HydrophobicContact CB-CB 4.15Å; V47-W56 PolarHBondContact N-O 3.34Å; V47-W56 PolarHBondContact O-N 2.94Å; F54-W56 HydrophobicContact CE1-CB 3.56Å; F54-W56 HydrophobicContact CE2-CE3 4.35Å; F54-W56 HydrophobicContact CZ-CB 3.63Å; F54-W56 HydrophobicContact CZ-CD2 4.32Å; F54-W56 AromaticContact CZ-CE3 3.82Å; F54-W56 HydrophobicContact CZ-CE3 3.82Å; F54-W56 HydrophobicContact CZ-CG 4.31Å; W56-F89 HydrophobicContact CZ2-CD1 4.39Å
57	R	73.1	Confident	68	Low	167 Å²	167	90.9 Å²	90.9	63%	0.63	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.5	174.9	-59.2	-175.2	-178.9	-175.2	-1.3	108	L44 C45 F46 V55	L44-R57 HydrophobicContact CD1-CB 4.45Å; C45-R57 CarbonylContact O-C 3.59Å; C45-R57 VanDerWaalsContact O-CA 3.3Å; C45-R57 WeakPolarHBondContact O-CA 3.45Å; F46-R57 HydrophobicContact CD1-CG 3.6Å; F46-R57 HydrophobicContact CE1-CG 3.85Å; V55-R57 HydrophobicContact CG1-CG 4.3Å
58	S	68.4	Low	67.3	Low	14 Å²	14	91.4 Å²	91.4	10%	0.098	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.2	175.8	-163.2	0	0	0	0	109.9	L44 C45 L60	L44-S58 WeakPolarHBondContact CA-O 3.28Å; L44-S58 WeakPolarHBondContact CD1-O 3.29Å; C45-S58 PolarHBondContact N-O 2.82Å; C45-S58 PolarHBondContact O-N 3.15Å; S58-L60 WeakPolarHBondContact O-CD1 3.37Å
59	F	68.1	Low	66.7	Low	138 Å²	138	95.1 Å²	95.1	61%	0.605	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.2	166.4	-68.8	-90.8	0	0	0	107.6	L33 L44	L33-F59 HydrophobicContact CD1-CD1 3.87Å; L33-F59 HydrophobicContact CD1-CE1 3.89Å; L44-F59 HydrophobicContact CD1-CD1 3.81Å; L44-F59 HydrophobicContact CD1-CD2 3.97Å; L44-F59 HydrophobicContact CD1-CE1 3.69Å; L44-F59 HydrophobicContact CD1-CE2 3.85Å; L44-F59 HydrophobicContact CD1-CG 3.96Å; L44-F59 HydrophobicContact CD1-CZ 3.7Å; L44-F59 HydrophobicContact CD2-CE1 4.02Å; L44-F59 HydrophobicContact CD2-CZ 4.15Å; L44-F59 HydrophobicContact CG-CE1 4.31Å
60	L	69	Low	66	Low	10 Å²	10	104.4 Å²	104.4	5%	0.052	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.1	176.3	-68.5	93.6	0	0	0	107.4	T42 S43 C45 S58 L82 T85 F89	T42-L60 CarbonylContact C-O 3.43Å; T42-L60 WeakPolarHBondContact CA-O 3.39Å; T42-L60 WeakPolarHBondContact CG2-O 3.36Å; S43-L60 PolarHBondContact N-O 2.87Å; S43-L60 PolarHBondContact O-N 2.79Å; C45-L60 HydrophobicContact CB-CD1 4.01Å; S58-L60 WeakPolarHBondContact O-CD1 3.37Å; L60-L82 HydrophobicContact CB-CD2 3.55Å; L60-L82 WeakPolarHBondContact O-CD2 3.4Å; L60-T85 HydrophobicContact CD2-CG2 3.25Å; L60-T85 HydrophobicContact CG-CG2 4.39Å; L60-F89 HydrophobicContact CD2-CE2 4.48Å
61	T	70	Confident	65.4	Low	91 Å²	91	100.7 Å²	100.7	56%	0.558	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.2	171.2	-58.3	0	0	0	0	107.2	F40 C41 T42	F40-T61 HydrophobicContact CB-CG2 4.25Å; F40-T61 HydrophobicContact CD1-CG2 4.1Å; F40-T61 HydrophobicContact CG-CG2 4.48Å; C41-T61 CarbonylContact O-C 3.58Å; C41-T61 VanDerWaalsContact O-CA 3.29Å; C41-T61 WeakPolarHBondContact O-CA 3.33Å; T42-T61 PolarHBondContact OG1-OG1 2.97Å
62	M	67.4	Low	64.8	Low	55 Å²	55	95.7 Å²	95.7	27%	0.271	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140	177.4	-169.5	-175.3	69.3	0	0	109.7	F40 C41 V64 S81 L82	F40-M62 CarbonylContact C-O 3.6Å; F40-M62 WeakPolarHBondContact CA-O 3.16Å; C41-M62 PolarHBondContact N-O 3.42Å; C41-M62 PolarHBondContact O-N 2.76Å; M62-V64 HydrophobicContact CE-CG1 3.54Å; M62-S81 WeakPolarHBondContact CE-OG 3.43Å; M62-S81 WeakPolarHBondContact SD-CB 3.5Å; M62-L82 HydrophobicContact CB-CD2 4.32Å
63	E	70.5	Confident	64.2	Low	135 Å²	135	94.4 Å²	94.4	63%	0.631	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.4	167.7	-163.2	171	-178	0	0	109.3	N39 F40	N39-E63 HydrophobicContact CB-CG 4.33Å; N39-E63 CarbonylContact O-C 3.56Å; N39-E63 VanDerWaalsContact O-CA 3.22Å; N39-E63 WeakPolarHBondContact O-CA 3.43Å; F40-E63 HydrophobicContact CD1-CB 3.97Å; F40-E63 HydrophobicContact CD1-CG 4.24Å; F40-E63 HydrophobicContact CE1-CB 3.67Å; F40-E63 HydrophobicContact CE1-CG 3.76Å; F40-E63 HydrophobicContact CZ-CG 4.15Å
64	V	67.2	Low	63.5	Low	7 Å²	7	89.2 Å²	89.2	4%	0.042	46%	0.455	C	S	.	.			trans	-107.3	136	175.1	-75.2	0	0	0	0	108.8	N39 C41 M62 D66	N39-V64 WeakPolarHBondContact CB-O 3.32Å; N39-V64 PolarHBondContact ND2-O 2.73Å; N39-V64 VanDerWaalsContact O-CG2 3.31Å; N39-V64 WeakPolarHBondContact O-CG2 3.23Å; N39-V64 PolarHBondContact O-N 3.48Å; C41-V64 HydrophobicContact CB-CG1 3.96Å; C41-V64 VanDerWaalsContact SG-CG1 3.57Å; M62-V64 HydrophobicContact CE-CG1 3.54Å; V64-D66 VanDerWaalsContact CG2-O 3.24Å; V64-D66 WeakPolarHBondContact CG2-O 3.4Å; V64-D66 PolarHBondContact O-N 2.76Å
65	E	63.6	Low	63.1	Low	187 Å²	187	88 Å²	88	87%	0.874	45%	0.453	S	S	*	.	S	Bend	trans	-60.2	-38.1	-178.1	-67.1	-176	162.2	0	0	112	N39	N39-E65 PolarHBondContact ND2-O 3.27Å; N39-E65 VanDerWaalsContact ND2-O 3.09Å
66	D	63.7	Low	62.5	Low	125 Å²	125	88.5 Å²	88.5	67%	0.668	46%	0.458	S	S	*	.	S	Bend	trans	-104.7	124	174.6	-66.3	-46.1	0	0	0	110.1	V64	V64-D66 VanDerWaalsContact CG2-O 3.24Å; V64-D66 WeakPolarHBondContact CG2-O 3.4Å; V64-D66 PolarHBondContact O-N 2.76Å
67	P	55.6	Low	61.9	Low	72 Å²	72	86.9 Å²	86.9	47%	0.468	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-60.2	144.9	176.2	22.5	-28.2	0	0	0	109.8	N39 N69	N39-P67 VanDerWaalsContact OD1-CB 3.27Å; N39-P67 WeakPolarHBondContact OD1-CB 3.21Å; N39-P67 VanDerWaalsContact OD1-CD 3.26Å; N39-P67 WeakPolarHBondContact OD1-CD 3.26Å; N39-P67 WeakPolarHBondContact OD1-CG 3.28Å; P67-N69 PolarHBondContact O-N 2.81Å
68	P	55.6	Low	61.2	Low	19 Å²	19	79.1 Å²	79.1	12%	0.123	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-54.9	129.8	168.9	-13.1	24.1	0	0	0	108.8	A35 E70 P73	A35-P68 HydrophobicContact CB-CG 4.5Å; P68-E70 PolarHBondContact O-N 3.18Å; P68-P73 VanDerWaalsContact CB-CA 3.48Å; P68-P73 HydrophobicContact CB-CB 4.44Å; P68-P73 WeakPolarHBondContact CB-O 3.41Å
69	N	59.9	Low	60.8	Low	111 Å²	111	82.2 Å²	82.2	59%	0.594	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-58.6	138.5	174.9	-173.7	-9	0	0	0	107.6	P67 A71 D72	P67-N69 PolarHBondContact O-N 2.81Å; N69-A71 PolarHBondContact O-N 2.99Å; N69-A71 PolarHBondContact OD1-N 3.4Å; N69-D72 PolarHBondContact N-O 2.79Å; N69-D72 CarbonylContact O-C 3.54Å; N69-D72 WeakPolarHBondContact O-CA 3.43Å; N69-D72 PolarHBondContact O-N 3.21Å
70	E	54.5	Low	60.4	Low	200 Å²	200	81.3 Å²	81.3	94%	0.935	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.4	178.3	-70	-171.5	165.4	0	0	112.2	P68	P68-E70 PolarHBondContact O-N 3.18Å
71	A	55.4	Low	60	Low	90 Å²	90	83 Å²	83	74%	0.744	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-21.3	173.1	0	0	0	0	0	114.6	N69	N69-A71 PolarHBondContact O-N 2.99Å; N69-A71 PolarHBondContact OD1-N 3.4Å
72	D	57	Low	59.6	Low	86 Å²	86	78.8 Å²	78.8	46%	0.46	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-144.1	87.5	179.6	-166.9	-8.2	0	0	0	110.3	N69 F74	N69-D72 PolarHBondContact N-O 2.79Å; N69-D72 CarbonylContact O-C 3.54Å; N69-D72 WeakPolarHBondContact O-CA 3.43Å; N69-D72 PolarHBondContact O-N 3.21Å; D72-F74 PolarHBondContact O-N 2.78Å; D72-F74 PolarHBondContact OD1-N 2.86Å
73	P	52.8	Low	59.1	Low	58 Å²	58	77.3 Å²	77.3	38%	0.377	43%	0.427	S	S	.	.	S	Bend	trans	-68.7	1.9	-177.9	24.4	-30.1	0	0	0	114	P68	P68-P73 VanDerWaalsContact CB-CA 3.48Å; P68-P73 HydrophobicContact CB-CB 4.44Å; P68-P73 WeakPolarHBondContact CB-O 3.41Å
74	F	56.2	Low	58.8	Low	75 Å²	75	72.8 Å²	72.8	33%	0.329	42%	0.417	S	S	.	.			trans	-127.8	66.6	-173.2	-56	-60	0	0	0	111	D32 D72 E79	D32-F74 HydrophobicContact CB-CD1 4.33Å; D32-F74 HydrophobicContact CB-CE1 3.38Å; D32-F74 HydrophobicContact CB-CZ 3.6Å; D72-F74 PolarHBondContact O-N 2.78Å; D72-F74 PolarHBondContact OD1-N 2.86Å; F74-E79 HydrophobicContact CB-CG 4.48Å
75	S	55.6	Low	58.5	Low	26 Å²	26	75.3 Å²	75.3	18%	0.182	43%	0.432	C	S	.	.			trans	-57.2	139.6	167.7	59.5	0	0	0	0	109.5	S77 C78 E79	S75-S77 PolarHBondContact O-N 3.23Å; S75-S77 PolarHBondContact OG-OG 3.02Å; S75-C78 WeakPolarHBondContact O-CA 3.37Å; S75-C78 WeakPolarHBondContact O-CB 3.49Å; S75-C78 PolarHBondContact O-N 2.91Å; S75-E79 PolarHBondContact O-N 3.43Å
76	P	57.5	Low	58.5	Low	94 Å²	94	66.4 Å²	66.4	61%	0.61	39%	0.391	S	S	*	.	H	α-helix	trans	-54.6	-29.5	-176.9	-26.5	32.4	0	0	0	113.6	C78 E79 D80	P76-C78 VanDerWaalsContact C-N 3.31Å; P76-C78 PolarHBondContact O-N 2.91Å; P76-E79 PolarHBondContact O-N 3.27Å; P76-D80 PolarHBondContact O-N 3.27Å; P76-D80 VanDerWaalsContact O-N 3.08Å
77	S	59	Low	58.4	Low	65 Å²	65	61.2 Å²	61.2	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-33.9	175.5	54.6	0	0	0	0	113.5	S75 S81	S75-S77 PolarHBondContact O-N 3.23Å; S75-S77 PolarHBondContact OG-OG 3.02Å; S77-S81 WeakPolarHBondContact O-CB 3.38Å; S77-S81 PolarHBondContact O-N 3.25Å; S77-S81 PolarHBondContact O-OG 3.05Å
78	C	58	Low	58.8	Low	4 Å²	4	64.2 Å²	64.2	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-47.9	174.5	-168.1	0	0	0	0	110.7	C41 S75 P76 L82	C41-C78 HydrophobicContact CB-CB 4.03Å; C41-C78 WeakPolarHBondContact CB-SG 3.26Å; C41-C78 WeakPolarHBondContact SG-CB 3.14Å; C41-C78 CovalentContact SG-SG 2Å; C41-C78 PolarHBondContact SG-SG 3.24Å; S75-C78 WeakPolarHBondContact O-CA 3.37Å; S75-C78 WeakPolarHBondContact O-CB 3.49Å; S75-C78 PolarHBondContact O-N 2.91Å; P76-C78 VanDerWaalsContact C-N 3.31Å; P76-C78 PolarHBondContact O-N 2.91Å; C78-L82 WeakPolarHBondContact O-CB 3.14Å; C78-L82 VanDerWaalsContact O-CD1 3.27Å; C78-L82 WeakPolarHBondContact O-CD1 3.45Å; C78-L82 WeakPolarHBondContact O-CG 3.14Å; C78-L82 PolarHBondContact O-N 3.29Å
79	E	59.3	Low	59.1	Low	78 Å²	78	66.4 Å²	66.4	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-67.7	-49.8	-175.9	-62.7	-150.9	105.4	0	0	112.3	K30 F74 S75 P76 S81 L82 M83	K30-E79 IonicContact NZ-OE1 2.73Å; K30-E79 PolarHBondContact NZ-OE1 3.44Å; F74-E79 HydrophobicContact CB-CG 4.48Å; S75-E79 PolarHBondContact O-N 3.43Å; P76-E79 PolarHBondContact O-N 3.27Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.07Å; E79-L82 PolarHBondContact O-N 3.5Å; E79-M83 VanDerWaalsContact O-CB 3.26Å; E79-M83 WeakPolarHBondContact O-CB 3.26Å; E79-M83 WeakPolarHBondContact O-CG 3.33Å; E79-M83 PolarHBondContact O-N 3.04Å
80	D	60.8	Low	59.1	Low	119 Å²	119	61.3 Å²	61.3	64%	0.636	35%	0.35	S	S	*	.	H	α-helix	trans	-61.5	-39.4	-177	-77.4	-26	0	0	0	111.8	P76 G84	P76-D80 PolarHBondContact O-N 3.27Å; P76-D80 VanDerWaalsContact O-N 3.08Å; D80-G84 PolarHBondContact O-N 3.45Å
81	S	60.5	Low	59.5	Low	45 Å²	45	56.4 Å²	56.4	32%	0.315	33%	0.329	S	S	.	.	H	α-helix	trans	-75.7	-40.5	-176	-53.8	0	0	0	0	112.9	M62 S77 E79 M83 T85	M62-S81 WeakPolarHBondContact CE-OG 3.43Å; M62-S81 WeakPolarHBondContact SD-CB 3.5Å; S77-S81 WeakPolarHBondContact O-CB 3.38Å; S77-S81 PolarHBondContact O-N 3.25Å; S77-S81 PolarHBondContact O-OG 3.05Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.07Å; S81-M83 VanDerWaalsContact C-N 3.33Å; S81-T85 PolarHBondContact O-N 2.86Å; S81-T85 PolarHBondContact O-OG1 2.65Å
82	L	61.9	Low	59.8	Low	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-41.7	174.6	-67.9	165.2	0	0	0	110.1	C41 S43 L60 M62 C78 E79 T85 C86	C41-L82 HydrophobicContact CB-CD1 4.02Å; S43-L82 WeakPolarHBondContact OG-CD1 3.48Å; L60-L82 HydrophobicContact CB-CD2 3.55Å; L60-L82 WeakPolarHBondContact O-CD2 3.4Å; M62-L82 HydrophobicContact CB-CD2 4.32Å; C78-L82 WeakPolarHBondContact O-CB 3.14Å; C78-L82 VanDerWaalsContact O-CD1 3.27Å; C78-L82 WeakPolarHBondContact O-CD1 3.45Å; C78-L82 WeakPolarHBondContact O-CG 3.14Å; C78-L82 PolarHBondContact O-N 3.29Å; E79-L82 PolarHBondContact O-N 3.5Å; L82-T85 PolarHBondContact O-N 3.29Å; L82-C86 PolarHBondContact O-N 3.14Å; L82-C86 PolarHBondContact O-SG 2.92Å
83	M	57.3	Low	59.8	Low	24 Å²	24	52.1 Å²	52.1	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-38.7	-178.9	-70	-55.7	-74.9	0	0	113.8	F13 E17 K30 E79 S81 T85 C86 G87	F13-M83 HydrophobicContact CE1-CB 3.72Å; F13-M83 HydrophobicContact CE1-CE 3.58Å; F13-M83 HydrophobicContact CE1-CG 4.31Å; F13-M83 HydrophobicContact CZ-CB 3.83Å; F13-M83 HydrophobicContact CZ-CE 4.25Å; E17-M83 WeakPolarHBondContact OE1-CE 3.47Å; K30-M83 HydrophobicContact CB-SD 4.03Å; K30-M83 HydrophobicContact CD-CE 4.37Å; K30-M83 HydrophobicContact CD-CG 4.01Å; K30-M83 HydrophobicContact CD-SD 3.14Å; K30-M83 WeakPolarHBondContact CD-SD 3.29Å; K30-M83 HydrophobicContact CG-SD 4.08Å; E79-M83 VanDerWaalsContact O-CB 3.26Å; E79-M83 WeakPolarHBondContact O-CB 3.26Å; E79-M83 WeakPolarHBondContact O-CG 3.33Å; E79-M83 PolarHBondContact O-N 3.04Å; S81-M83 VanDerWaalsContact C-N 3.33Å; M83-T85 PolarHBondContact O-N 3.37Å; M83-C86 WeakPolarHBondContact O-CB 2.72Å; M83-C86 PolarHBondContact O-N 3.19Å; M83-G87 PolarHBondContact O-N 3.4Å
84	G	62.8	Low	60.2	Low	40 Å²	40	51.2 Å²	51.2	41%	0.412	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-36.9	171.9	0	0	0	0	0	112	D80 Y88	D80-G84 PolarHBondContact O-N 3.45Å; G84-Y88 PolarHBondContact O-N 2.65Å
85	T	62.5	Low	60.2	Low	60 Å²	60	52.3 Å²	52.3	37%	0.368	30%	0.297	S	S	.	.	H	α-helix	trans	-77.8	-36.4	-179	-49.1	0	0	0	0	111.8	L60 S81 L82 M83 G87 Y88 F89	L60-T85 HydrophobicContact CD2-CG2 3.25Å; L60-T85 HydrophobicContact CG-CG2 4.39Å; S81-T85 PolarHBondContact O-N 2.86Å; S81-T85 PolarHBondContact O-OG1 2.65Å; L82-T85 PolarHBondContact O-N 3.29Å; M83-T85 PolarHBondContact O-N 3.37Å; T85-G87 PolarHBondContact O-N 2.79Å; T85-Y88 WeakPolarHBondContact O-CB 3.34Å; T85-Y88 PolarHBondContact O-N 2.94Å; T85-F89 HydrophobicContact CG2-CD2 4.09Å; T85-F89 HydrophobicContact CG2-CE2 3.73Å; T85-F89 WeakPolarHBondContact O-CD2 3.27Å; T85-F89 PolarHBondContact O-N 2.87Å
86	C	62.2	Low	60.2	Low	1 Å²	1	54 Å²	54	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-56.3	-48.6	169.1	-66	0	0	0	0	112.2	C45 L82 M83 Y88 F89 I90	C45-C86 HydrophobicContact CB-CB 4.12Å; C45-C86 WeakPolarHBondContact CB-SG 3.39Å; C45-C86 VanDerWaalsContact SG-CB 3.58Å; C45-C86 VanDerWaalsContact SG-SG 3.61Å; L82-C86 PolarHBondContact O-N 3.14Å; L82-C86 PolarHBondContact O-SG 2.92Å; M83-C86 WeakPolarHBondContact O-CB 2.72Å; M83-C86 PolarHBondContact O-N 3.19Å; C86-Y88 VanDerWaalsContact C-N 3.32Å; C86-Y88 PolarHBondContact O-N 2.79Å; C86-F89 PolarHBondContact O-N 2.88Å; C86-I90 WeakPolarHBondContact O-CG1 3.3Å; C86-I90 PolarHBondContact O-N 2.78Å; C86-I90 VanDerWaalsContact O-N 3.14Å
87	G	61.8	Low	60	Low	15 Å²	15	52.3 Å²	52.3	16%	0.155	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-39.2	175.7	0	0	0	0	0	112.9	M83 T85 I90 L91	M83-G87 PolarHBondContact O-N 3.4Å; T85-G87 PolarHBondContact O-N 2.79Å; G87-I90 WeakPolarHBondContact O-CB 3.45Å; G87-I90 PolarHBondContact O-N 2.8Å; G87-L91 PolarHBondContact O-N 3.11Å
88	Y	64.5	Low	59.5	Low	136 Å²	136	52 Å²	52	53%	0.533	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-41.3	175.5	-177.6	-106.2	0	0	0	112.4	G84 T85 C86 I90 L91 L92	G84-Y88 PolarHBondContact O-N 2.65Å; T85-Y88 WeakPolarHBondContact O-CB 3.34Å; T85-Y88 PolarHBondContact O-N 2.94Å; C86-Y88 VanDerWaalsContact C-N 3.32Å; C86-Y88 PolarHBondContact O-N 2.79Å; Y88-I90 VanDerWaalsContact C-N 3.33Å; Y88-I90 PolarHBondContact O-N 2.8Å; Y88-L91 WeakPolarHBondContact O-CB 3.03Å; Y88-L91 PolarHBondContact O-N 3.08Å; Y88-L92 HydrophobicContact CD1-CD1 3.81Å; Y88-L92 HydrophobicContact CD1-CG 4.29Å; Y88-L92 HydrophobicContact CE1-CD1 3.34Å; Y88-L92 HydrophobicContact CE1-CG 3.93Å; Y88-L92 PolarHBondContact O-N 3.3Å
89	F	60.8	Low	59.1	Low	64 Å²	64	55.3 Å²	55.3	28%	0.281	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-33.1	175.6	-79.8	-69.2	0	0	0	113	W56 L60 T85 C86 L91 L92 A93	W56-F89 HydrophobicContact CZ2-CD1 4.39Å; L60-F89 HydrophobicContact CD2-CE2 4.48Å; T85-F89 HydrophobicContact CG2-CD2 4.09Å; T85-F89 HydrophobicContact CG2-CE2 3.73Å; T85-F89 WeakPolarHBondContact O-CD2 3.27Å; T85-F89 PolarHBondContact O-N 2.87Å; C86-F89 PolarHBondContact O-N 2.88Å; F89-L91 VanDerWaalsContact C-N 3.35Å; F89-L92 HydrophobicContact CD1-CD1 4.28Å; F89-L92 PolarHBondContact O-N 3.24Å; F89-A93 VanDerWaalsContact O-CB 3.29Å; F89-A93 WeakPolarHBondContact O-CB 3.46Å; F89-A93 PolarHBondContact O-N 2.86Å
90	I	60.7	Low	58.3	Low	5 Å²	5	55 Å²	55	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-41.4	171.9	-67.8	155.1	0	0	0	110.6	I26 I28 V47 C86 G87 Y88 L92 A93 N94	I26-I90 HydrophobicContact CD1-CG2 3.56Å; I28-I90 HydrophobicContact CD1-CD1 3.31Å; I28-I90 HydrophobicContact CG1-CD1 3.66Å; I28-I90 HydrophobicContact CG2-CD1 4.2Å; V47-I90 HydrophobicContact CB-CG1 4.5Å; V47-I90 HydrophobicContact CG1-CG1 4.17Å; V47-I90 HydrophobicContact CG2-CD1 3.96Å; V47-I90 HydrophobicContact CG2-CG1 3.56Å; C86-I90 WeakPolarHBondContact O-CG1 3.3Å; C86-I90 PolarHBondContact O-N 2.78Å; C86-I90 VanDerWaalsContact O-N 3.14Å; G87-I90 WeakPolarHBondContact O-CB 3.45Å; G87-I90 PolarHBondContact O-N 2.8Å; Y88-I90 VanDerWaalsContact C-N 3.33Å; Y88-I90 PolarHBondContact O-N 2.8Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-A93 PolarHBondContact O-N 3.44Å; I90-N94 WeakPolarHBondContact O-CB 3.27Å; I90-N94 PolarHBondContact O-N 3.45Å; I90-N94 PolarHBondContact O-ND2 2.84Å
91	L	63.3	Low	57.2	Low	96 Å²	96	52.8 Å²	52.8	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-43.8	175	-163	99.1	0	0	0	111.1	G87 Y88 F89 N94 L95	G87-L91 PolarHBondContact O-N 3.11Å; Y88-L91 WeakPolarHBondContact O-CB 3.03Å; Y88-L91 PolarHBondContact O-N 3.08Å; F89-L91 VanDerWaalsContact C-N 3.35Å; L91-N94 PolarHBondContact O-N 3.48Å; L91-L95 HydrophobicContact CD2-CD1 4.05Å; L91-L95 HydrophobicContact CG-CD1 4.31Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.23Å
92	L	61.2	Low	56	Low	65 Å²	65	53.9 Å²	53.9	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-41.4	176.2	-74.2	179.3	0	0	0	112.7	Y88 F89 I90 N94 L95 S96	Y88-L92 HydrophobicContact CD1-CD1 3.81Å; Y88-L92 HydrophobicContact CD1-CG 4.29Å; Y88-L92 HydrophobicContact CE1-CD1 3.34Å; Y88-L92 HydrophobicContact CE1-CG 3.93Å; Y88-L92 PolarHBondContact O-N 3.3Å; F89-L92 HydrophobicContact CD1-CD1 4.28Å; F89-L92 PolarHBondContact O-N 3.24Å; I90-L92 VanDerWaalsContact C-N 3.35Å; L92-N94 VanDerWaalsContact C-N 3.29Å; L92-N94 PolarHBondContact O-N 3.17Å; L92-L95 HydrophobicContact CD2-CD1 4.47Å; L92-L95 PolarHBondContact O-N 3.34Å; L92-S96 VanDerWaalsContact O-CB 3.27Å; L92-S96 WeakPolarHBondContact O-CB 3.16Å; L92-S96 PolarHBondContact O-N 3.13Å
93	A	57.9	Low	54.7	Low	21 Å²	21	62.4 Å²	62.4	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-39.8	175.2	0	0	0	0	0	110.6	F54 F89 I90 S96 L97	F54-A93 HydrophobicContact CZ-CB 4.46Å; F89-A93 VanDerWaalsContact O-CB 3.29Å; F89-A93 WeakPolarHBondContact O-CB 3.46Å; F89-A93 PolarHBondContact O-N 2.86Å; I90-A93 PolarHBondContact O-N 3.44Å; A93-S96 PolarHBondContact O-N 3Å; A93-L97 WeakPolarHBondContact O-CB 3.46Å; A93-L97 PolarHBondContact O-N 2.79Å
94	N	59.5	Low	53.8	Low	39 Å²	39	65 Å²	65	21%	0.209	37%	0.368	C	S	.	.	H	α-helix	trans	-69.1	-40	174.3	-81	-64.5	0	0	0	113	Y24 I90 L91 L92 S96 L97 A98	Y24-N94 VanDerWaalsContact CD1-OD1 3.32Å; Y24-N94 WeakPolarHBondContact CD1-OD1 3.48Å; Y24-N94 WeakPolarHBondContact CE1-OD1 3.49Å; I90-N94 WeakPolarHBondContact O-CB 3.27Å; I90-N94 PolarHBondContact O-N 3.45Å; I90-N94 PolarHBondContact O-ND2 2.84Å; L91-N94 PolarHBondContact O-N 3.48Å; L92-N94 VanDerWaalsContact C-N 3.29Å; L92-N94 PolarHBondContact O-N 3.17Å; N94-S96 VanDerWaalsContact C-N 3.31Å; N94-S96 PolarHBondContact O-N 3.33Å; N94-L97 PolarHBondContact O-N 3.43Å; N94-A98 WeakPolarHBondContact O-CB 3.19Å; N94-A98 PolarHBondContact O-N 2.98Å
95	L	57.9	Low	52.4	Low	98 Å²	98	69.2 Å²	69.2	51%	0.513	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-40	173.5	-79.7	158.7	0	0	0	111.1	L91 L92 T99	L91-L95 HydrophobicContact CD2-CD1 4.05Å; L91-L95 HydrophobicContact CG-CD1 4.31Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.23Å; L92-L95 HydrophobicContact CD2-CD1 4.47Å; L92-L95 PolarHBondContact O-N 3.34Å; L95-T99 WeakPolarHBondContact O-CB 3.42Å; L95-T99 WeakPolarHBondContact O-CG2 3.45Å; L95-T99 PolarHBondContact O-N 2Å; L95-T99 PolarHBondContact O-OG1 2.95Å
96	S	54.9	Low	51.4	Low	62 Å²	62	74.2 Å²	74.2	43%	0.434	40%	0.399	S	S	.	.	H	α-helix	trans	-68.9	-42.6	175.8	-174.2	0	0	0	0	111.8	L92 A93 N94 T99 T100	L92-S96 VanDerWaalsContact O-CB 3.27Å; L92-S96 WeakPolarHBondContact O-CB 3.16Å; L92-S96 PolarHBondContact O-N 3.13Å; A93-S96 PolarHBondContact O-N 3Å; N94-S96 VanDerWaalsContact C-N 3.31Å; N94-S96 PolarHBondContact O-N 3.33Å; S96-T99 WeakPolarHBondContact CA-OG1 3Å; S96-T99 PolarHBondContact O-N 3.21Å; S96-T99 PolarHBondContact O-OG1 2.87Å; S96-T99 VanDerWaalsContact O-OG1 3.11Å; S96-T100 WeakPolarHBondContact O-CB 3.45Å; S96-T100 PolarHBondContact O-N 3.18Å; S96-T100 PolarHBondContact O-OG1 2.96Å
97	L	53.6	Low	50.3	Low	58 Å²	58	82.7 Å²	82.7	30%	0.304	44%	0.436	S	S	.	.	H	α-helix	trans	-66.5	-43.7	174.7	-109.9	76.2	0	0	0	111.2	A93 N94 T99 T100 V101	A93-L97 WeakPolarHBondContact O-CB 3.46Å; A93-L97 PolarHBondContact O-N 2.79Å; N94-L97 PolarHBondContact O-N 3.43Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 2.9Å; L97-T100 PolarHBondContact O-N 2.73Å; L97-V101 WeakPolarHBondContact O-CB 3.18Å; L97-V101 WeakPolarHBondContact O-CG2 2.92Å; L97-V101 PolarHBondContact O-N 3.17Å
98	A	48.7	Very low	48.8	Very low	59 Å²	59	85.7 Å²	85.7	49%	0.488	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.4	0	0	0	0	0	111.3	N94 S102	N94-A98 WeakPolarHBondContact O-CB 3.19Å; N94-A98 PolarHBondContact O-N 2.98Å; A98-S102 VanDerWaalsContact O-CB 3.28Å; A98-S102 WeakPolarHBondContact O-CB 3.41Å; A98-S102 PolarHBondContact O-N 3.02Å; A98-S102 PolarHBondContact O-OG 3.35Å
99	T	48.2	Very low	47.2	Very low	74 Å²	74	84.9 Å²	84.9	45%	0.454	47%	0.465	S	S	.	.	H	α-helix	trans	-73.9	-32.2	176.1	45.4	0	0	0	0	113.3	L95 S96 L97 R103	L95-T99 WeakPolarHBondContact O-CB 3.42Å; L95-T99 WeakPolarHBondContact O-CG2 3.45Å; L95-T99 PolarHBondContact O-N 2Å; L95-T99 PolarHBondContact O-OG1 2.95Å; S96-T99 WeakPolarHBondContact CA-OG1 3Å; S96-T99 PolarHBondContact O-N 3.21Å; S96-T99 PolarHBondContact O-OG1 2.87Å; S96-T99 VanDerWaalsContact O-OG1 3.11Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 2.9Å; T99-R103 WeakPolarHBondContact O-CB 3.48Å; T99-R103 WeakPolarHBondContact O-CG 2.85Å; T99-R103 PolarHBondContact O-N 2.99Å
100	T	44.3	Very low	46	Very low	70 Å²	70	85.9 Å²	85.9	43%	0.429	47%	0.473	S	S	.	.	H	α-helix	trans	-76	-42.4	177.9	-55.7	0	0	0	0	110.8	S96 L97 R103 V104	S96-T100 WeakPolarHBondContact O-CB 3.45Å; S96-T100 PolarHBondContact O-N 3.18Å; S96-T100 PolarHBondContact O-OG1 2.96Å; L97-T100 PolarHBondContact O-N 2.73Å; T100-R103 CarbonylContact O-C 3.55Å; T100-R103 PolarHBondContact O-N 3.43Å; T100-V104 HydrophobicContact CG2-CG2 4.3Å; T100-V104 WeakPolarHBondContact O-CB 3.47Å; T100-V104 VanDerWaalsContact O-CG2 3.23Å; T100-V104 WeakPolarHBondContact O-CG2 3.48Å; T100-V104 PolarHBondContact O-N 3.23Å
101	V	37.2	Very low	44.8	Very low	73 Å²	73	91.2 Å²	91.2	44%	0.442	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-41.1	173	173.9	0	0	0	0	110.6	L97 R103 V104 L105	L97-V101 WeakPolarHBondContact O-CB 3.18Å; L97-V101 WeakPolarHBondContact O-CG2 2.92Å; L97-V101 PolarHBondContact O-N 3.17Å; V101-R103 VanDerWaalsContact C-N 3.34Å; V101-R103 PolarHBondContact O-N 2.76Å; V101-V104 PolarHBondContact O-N 3.39Å; V101-L105 HydrophobicContact CG1-CD1 3.51Å; V101-L105 HydrophobicContact CG1-CG 4.15Å; V101-L105 VanDerWaalsContact O-CB 3.24Å; V101-L105 WeakPolarHBondContact O-CB 3.34Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.08Å; V101-L105 PolarHBondContact O-N 2.81Å
102	S	34.7	Very low	43.5	Very low	69 Å²	69	94.2 Å²	94.2	48%	0.483	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-37.1	171	-84.7	0	0	0	0	113	A98 Q106	A98-S102 VanDerWaalsContact O-CB 3.28Å; A98-S102 WeakPolarHBondContact O-CB 3.41Å; A98-S102 PolarHBondContact O-N 3.02Å; A98-S102 PolarHBondContact O-OG 3.35Å; S102-Q106 VanDerWaalsContact O-CB 3.26Å; S102-Q106 WeakPolarHBondContact O-CB 3.29Å; S102-Q106 VanDerWaalsContact O-CG 3.28Å; S102-Q106 WeakPolarHBondContact O-CG 3.26Å; S102-Q106 PolarHBondContact O-N 2.85Å
103	R	35.5	Very low	42.3	Very low	181 Å²	181	101.1 Å²	101.1	68%	0.683	56%	0.56	S	S	*	*	H	α-helix	trans	-77	-29.3	178.7	-76.4	175.6	-179.8	-177.5	2.3	113.6	T99 T100 V101 K107	T99-R103 WeakPolarHBondContact O-CB 3.48Å; T99-R103 WeakPolarHBondContact O-CG 2.85Å; T99-R103 PolarHBondContact O-N 2.99Å; T100-R103 CarbonylContact O-C 3.55Å; T100-R103 PolarHBondContact O-N 3.43Å; V101-R103 VanDerWaalsContact C-N 3.34Å; V101-R103 PolarHBondContact O-N 2.76Å; R103-K107 WeakPolarHBondContact O-CB 3.37Å; R103-K107 WeakPolarHBondContact O-CG 3.23Å; R103-K107 PolarHBondContact O-N 2.88Å
104	V	37.1	Very low	41.5	Very low	80 Å²	80	105.2 Å²	105.2	49%	0.485	58%	0.579	S	S	.	*	H	α-helix	trans	-78.7	-42	175.4	173.4	0	0	0	0	110.3	T100 V101 Q106 K107 C108	T100-V104 HydrophobicContact CG2-CG2 4.3Å; T100-V104 WeakPolarHBondContact O-CB 3.47Å; T100-V104 VanDerWaalsContact O-CG2 3.23Å; T100-V104 WeakPolarHBondContact O-CG2 3.48Å; T100-V104 PolarHBondContact O-N 3.23Å; V101-V104 PolarHBondContact O-N 3.39Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.28Å; V104-K107 PolarHBondContact O-N 3.31Å; V104-C108 PolarHBondContact O-N 3.45Å
105	L	34.8	Very low	40.5	Very low	127 Å²	127	108.6 Å²	108.6	67%	0.665	60%	0.599	S	S	*	*	H	α-helix	trans	-71.6	-23.8	176.1	-68.8	172.2	0	0	0	113.6	V101	V101-L105 HydrophobicContact CG1-CD1 3.51Å; V101-L105 HydrophobicContact CG1-CG 4.15Å; V101-L105 VanDerWaalsContact O-CB 3.24Å; V101-L105 WeakPolarHBondContact O-CB 3.34Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.08Å; V101-L105 PolarHBondContact O-N 2.81Å
106	Q	40.2	Very low	39.6	Very low	166 Å²	166	109.2 Å²	109.2	78%	0.776	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-15.6	170.7	-78.9	-178.2	-26.6	0	0	114	S102 V104	S102-Q106 VanDerWaalsContact O-CB 3.26Å; S102-Q106 WeakPolarHBondContact O-CB 3.29Å; S102-Q106 VanDerWaalsContact O-CG 3.28Å; S102-Q106 WeakPolarHBondContact O-CG 3.26Å; S102-Q106 PolarHBondContact O-N 2.85Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.28Å
107	K	40.4	Very low	38.7	Very low	178 Å²	178	112 Å²	112	77%	0.774	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-7.9	-179.5	-75.3	-171.5	174.8	-173	0	114.6	R103 V104 P109	R103-K107 WeakPolarHBondContact O-CB 3.37Å; R103-K107 WeakPolarHBondContact O-CG 3.23Å; R103-K107 PolarHBondContact O-N 2.88Å; V104-K107 PolarHBondContact O-N 3.31Å; K107-P109 WeakPolarHBondContact O-CD 3.42Å
108	C	28.6	Very low	37.7	Very low	79 Å²	79	115.4 Å²	115.4	53%	0.534	63%	0.633	S	S	.	*			trans	-109.2	94.4	172.5	-68.4	0	0	0	0	109.6	V104 N110	V104-C108 PolarHBondContact O-N 3.45Å; C108-N110 PolarHBondContact O-N 2.73Å
109	P	31.5	Very low	37	Very low	118 Å²	118	119.1 Å²	119.1	77%	0.766	64%	0.643	S	S	*	*			trans	-57.3	130.6	154.9	27.6	-30.5	0	0	0	106.3	K107 P111	K107-P109 WeakPolarHBondContact O-CD 3.42Å; P109-P111 WeakPolarHBondContact O-CD 3.22Å
110	N	36.3	Very low	36.2	Very low	86 Å²	86	122.4 Å²	122.4	46%	0.46	66%	0.656	S	S	.	*			trans	-39.9	118.2	-176.1	-167.7	-6.4	0	0	0	112.4	C108 L112 L113	C108-N110 PolarHBondContact O-N 2.73Å; N110-L112 PolarHBondContact O-N 3.09Å; N110-L112 WeakPolarHBondContact OD1-CA 3.18Å; N110-L112 PolarHBondContact OD1-N 3.02Å; N110-L113 HydrophobicContact CB-CB 4.16Å; N110-L113 VanDerWaalsContact ND2-CB 3.31Å; N110-L113 WeakPolarHBondContact ND2-CB 3.27Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.31Å; N110-L113 WeakPolarHBondContact ND2-CG 3.24Å
111	P	34.3	Very low	35.6	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	7	173	29.2	-30.6	0	0	0	113.1	P109	P109-P111 WeakPolarHBondContact O-CD 3.22Å
112	L	37.1	Very low	35.4	Very low	160 Å²	160	130.8 Å²	130.8	84%	0.838	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	21.4	-177.1	-65.6	172.4	0	0	0	114.3	N110	N110-L112 PolarHBondContact O-N 3.09Å; N110-L112 WeakPolarHBondContact OD1-CA 3.18Å; N110-L112 PolarHBondContact OD1-N 3.02Å
113	L	35	Very low	35.5	Very low	210 Å²	210	136.5 Å²	136.5	100%	1.099	71%	0.712	S	S	*	*			trans	-123.5	0	162.7	-89.5	172	0	0	0	110.4	N110	N110-L113 HydrophobicContact CB-CB 4.16Å; N110-L113 VanDerWaalsContact ND2-CB 3.31Å; N110-L113 WeakPolarHBondContact ND2-CB 3.27Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.31Å; N110-L113 WeakPolarHBondContact ND2-CG 3.24Å

Retrieved 113 of 113 residues in 82.9 ms (Link to these results)

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