A0A077YYP3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	33.7	Very low	243 Å²	243	152.1 Å²	152.1	100%	1.197	81%	0.81	S	S	*	*				0	123.4	0	-79	158.7	128.1	0	0	107.8
2	S	38.9	Very low	33.3	Very low	121 Å²	121	151.7 Å²	151.7	85%	0.846	80%	0.799	S	S	*	*			trans	45.2	98.9	167.5	-44.7	0	0	0	0	118.2
3	R	32.7	Very low	33.2	Very low	240 Å²	240	148.2 Å²	148.2	91%	0.906	79%	0.791	S	S	*	*				56.7	130	54.2	-84.5	-166.5	-172	-177.2	4.2	116.6
4	Q	36.9	Very low	33.2	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	77%	0.766	S	S	*	*			trans	94.6	131.9	165.8	-70	161.7	-45	0	0	117.2
5	S	31	Very low	33.4	Very low	84 Å²	84	138.7 Å²	138.7	59%	0.587	75%	0.751	S	S	*	*			cis	-172	121.6	-12.4	-179.3	0	0	0	0	105.7	H7	S5-H7 PolarHBondContact O-N 3.15Å; S5-H7 VanDerWaalsContact O-N 3.09Å
6	S	33.1	Very low	33.6	Very low	123 Å²	123	136.4 Å²	136.4	86%	0.86	74%	0.743	S	S	*	*			trans	-60.2	109.2	169.1	-64	0	0	0	0	109.4	D8	S6-D8 PolarHBondContact O-N 3.46Å
7	H	36.5	Very low	33.9	Very low	159 Å²	159	135.9 Å²	135.9	74%	0.736	74%	0.74	S	S	*	*			trans	-90.8	92.9	161.8	-76.6	-50.6	0	0	0	108.1	S5 I9	S5-H7 PolarHBondContact O-N 3.15Å; S5-H7 VanDerWaalsContact O-N 3.09Å; H7-I9 HydrophobicContact CB-CG1 4.44Å; H7-I9 PolarHBondContact O-N 3.3Å; H7-I9 VanDerWaalsContact O-N 3.12Å
8	D	27.5	Very low	34.1	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	74%	0.738	S	S	*	*			trans	-65.2	96.3	162	-156.7	-19.5	0	0	0	107.3	S6	S6-D8 PolarHBondContact O-N 3.46Å
9	I	33.9	Very low	34.4	Very low	135 Å²	135	135.7 Å²	135.7	69%	0.692	72%	0.721	S	S	*	*			trans	-95.1	91.2	171.5	-58.6	176.9	0	0	0	106.3	H7 V11	H7-I9 HydrophobicContact CB-CG1 4.44Å; H7-I9 PolarHBondContact O-N 3.3Å; H7-I9 VanDerWaalsContact O-N 3.12Å; I9-V11 VanDerWaalsContact C-N 3.27Å; I9-V11 HydrophobicContact CG2-CG2 3.92Å; I9-V11 PolarHBondContact O-N 3.34Å
10	T	28	Very low	34.7	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	71%	0.707	S	S	*	*			trans	-66.4	86.3	168.2	-32.6	0	0	0	0	108.8	Q12	T10-Q12 PolarHBondContact O-N 3.05Å; T10-Q12 VanDerWaalsContact O-N 3.14Å
11	V	34.4	Very low	34.9	Very low	115 Å²	115	129.2 Å²	129.2	70%	0.697	70%	0.699	S	S	*	*			trans	-68.9	106.8	171.2	-177.2	0	0	0	0	107.2	I9 P13	I9-V11 VanDerWaalsContact C-N 3.27Å; I9-V11 HydrophobicContact CG2-CG2 3.92Å; I9-V11 PolarHBondContact O-N 3.34Å; V11-P13 WeakPolarHBondContact O-CD 3.36Å
12	Q	29	Very low	35.3	Very low	147 Å²	147	121.8 Å²	121.8	69%	0.687	67%	0.668	S	S	*	*			trans	-64.6	113.3	173.2	-81.3	-160.7	-6	0	0	110.2	T10 C14	T10-Q12 PolarHBondContact O-N 3.05Å; T10-Q12 VanDerWaalsContact O-N 3.14Å; Q12-C14 PolarHBondContact O-N 2.8Å; Q12-C14 VanDerWaalsContact O-N 3.12Å
13	P	31.2	Very low	35.7	Very low	107 Å²	107	119.6 Å²	119.6	70%	0.695	65%	0.646	S	S	*	*			trans	-82	24.5	177.1	34	-31.5	0	0	0	113.1	V11	V11-P13 WeakPolarHBondContact O-CD 3.36Å
14	C	33	Very low	36.3	Very low	64 Å²	64	116.5 Å²	116.5	43%	0.432	64%	0.635	S	S	.	*			trans	-105.8	-14.3	-156.4	-56.7	0	0	0	0	116.5	Q12 R18	Q12-C14 PolarHBondContact O-N 2.8Å; Q12-C14 VanDerWaalsContact O-N 3.12Å; C14-R18 WeakPolarHBondContact O-CG 3.41Å
15	T	36.7	Very low	36.8	Very low	90 Å²	90	110.9 Å²	110.9	55%	0.552	62%	0.615	S	S	*	*	H	α-helix	trans	-88.9	-39.4	-172.2	-39.4	0	0	0	0	112.9	R18 L19	T15-R18 PolarHBondContact O-N 3.42Å; T15-L19 HydrophobicContact CG2-CD1 4.32Å; T15-L19 WeakPolarHBondContact O-CG 3.29Å; T15-L19 PolarHBondContact O-N 3.29Å; T15-L19 VanDerWaalsContact O-N 3.07Å
16	V	37.6	Very low	37.8	Very low	102 Å²	102	109.7 Å²	109.7	62%	0.618	60%	0.602	S	S	*	*	H	α-helix	trans	-71.5	-38.2	-176	-172.8	0	0	0	0	111.5	R18 L19 A20	V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.12Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-A20 PolarHBondContact O-N 3.42Å
17	N	38.5	Very low	38.6	Very low	128 Å²	128	108.7 Å²	108.7	68%	0.684	58%	0.582	S	S	*	*	H	α-helix	trans	-68.6	-32.7	176.6	-119.7	-8.8	0	0	0	112.2	C21	N17-C21 WeakPolarHBondContact O-CB 3.44Å; N17-C21 PolarHBondContact O-N 2.88Å; N17-C21 VanDerWaalsContact O-N 3.13Å
18	R	37.4	Very low	39.2	Very low	190 Å²	190	102.7 Å²	102.7	72%	0.717	56%	0.56	S	S	*	*	H	α-helix	trans	-68.1	-42.7	172.9	-80.7	-175.9	174.3	-155.3	-0.5	111.8	C14 T15 V16 C21 V22	C14-R18 WeakPolarHBondContact O-CG 3.41Å; T15-R18 PolarHBondContact O-N 3.42Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.12Å; R18-C21 PolarHBondContact O-N 3.29Å; R18-V22 WeakPolarHBondContact O-CG2 3.32Å; R18-V22 PolarHBondContact O-N 3.15Å
19	L	40.3	Very low	40.3	Very low	78 Å²	78	99 Å²	99	41%	0.408	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-42.3	177.7	-76	162.7	0	0	0	112.1	T15 V16 C21 V22 L23	T15-L19 HydrophobicContact CG2-CD1 4.32Å; T15-L19 WeakPolarHBondContact O-CG 3.29Å; T15-L19 PolarHBondContact O-N 3.29Å; T15-L19 VanDerWaalsContact O-N 3.07Å; V16-L19 PolarHBondContact O-N 3.43Å; L19-C21 VanDerWaalsContact C-N 3.31Å; L19-C21 PolarHBondContact O-N 3.04Å; L19-V22 PolarHBondContact O-N 3.4Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.3Å
20	A	40.1	Very low	41	Very low	54 Å²	54	94 Å²	94	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-62.3	-38.8	174.4	0	0	0	0	0	112.3	V16 Y24	V16-A20 PolarHBondContact O-N 3.42Å; A20-Y24 WeakPolarHBondContact O-CB 3.29Å; A20-Y24 PolarHBondContact O-N 2.92Å
21	C	38.5	Very low	41.9	Very low	80 Å²	80	95.4 Å²	95.4	54%	0.541	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-44.2	177.2	-144.8	0	0	0	0	111.7	N17 R18 L19 Y24 T25	N17-C21 WeakPolarHBondContact O-CB 3.44Å; N17-C21 PolarHBondContact O-N 2.88Å; N17-C21 VanDerWaalsContact O-N 3.13Å; R18-C21 PolarHBondContact O-N 3.29Å; L19-C21 VanDerWaalsContact C-N 3.31Å; L19-C21 PolarHBondContact O-N 3.04Å; C21-Y24 PolarHBondContact O-N 3.36Å; C21-T25 WeakPolarHBondContact O-CG2 3.49Å; C21-T25 PolarHBondContact O-N 3.44Å; C21-T25 PolarHBondContact O-OG1 3.06Å; C21-T25 VanDerWaalsContact O-OG1 3.08Å
22	V	46.4	Very low	42.3	Very low	88 Å²	88	98.6 Å²	98.6	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176.3	172.6	0	0	0	0	111	R18 L19 Y24 T25 D26	R18-V22 WeakPolarHBondContact O-CG2 3.32Å; R18-V22 PolarHBondContact O-N 3.15Å; L19-V22 PolarHBondContact O-N 3.4Å; V22-Y24 VanDerWaalsContact C-N 3.33Å; V22-Y24 PolarHBondContact O-N 3.25Å; V22-T25 WeakPolarHBondContact CA-OG1 3.22Å; V22-T25 PolarHBondContact O-N 3.41Å; V22-T25 PolarHBondContact O-OG1 3.01Å; V22-D26 VanDerWaalsContact O-CB 3.31Å; V22-D26 WeakPolarHBondContact O-CB 3.46Å; V22-D26 PolarHBondContact O-N 3.01Å
23	L	48.2	Very low	43	Very low	75 Å²	75	92.2 Å²	92.2	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-41	176.9	-74	171.1	0	0	0	112.3	L19 F27 L54	L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.3Å; L23-F27 WeakPolarHBondContact O-CB 3.14Å; L23-F27 PolarHBondContact O-N 2.72Å; L23-L54 HydrophobicContact CD2-CD1 3.86Å; L23-L54 HydrophobicContact CD2-CD2 4.41Å
24	Y	44.3	Very low	43.6	Very low	174 Å²	174	90.5 Å²	90.5	68%	0.682	48%	0.476	S	S	*	.	H	α-helix	trans	-66.9	-42.7	177.6	-169.5	-92.6	0	0	0	111.9	A20 C21 V22 F27 A28	A20-Y24 WeakPolarHBondContact O-CB 3.29Å; A20-Y24 PolarHBondContact O-N 2.92Å; C21-Y24 PolarHBondContact O-N 3.36Å; V22-Y24 VanDerWaalsContact C-N 3.33Å; V22-Y24 PolarHBondContact O-N 3.25Å; Y24-F27 PolarHBondContact O-N 3.05Å; Y24-A28 VanDerWaalsContact O-CB 3.29Å; Y24-A28 WeakPolarHBondContact O-CB 3.3Å; Y24-A28 PolarHBondContact O-N 3.41Å
25	T	48.5	Very low	44.2	Very low	76 Å²	76	95.3 Å²	95.3	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-68	-36.6	178	51.3	0	0	0	0	112.9	C21 V22 S29	C21-T25 WeakPolarHBondContact O-CG2 3.49Å; C21-T25 PolarHBondContact O-N 3.44Å; C21-T25 PolarHBondContact O-OG1 3.06Å; C21-T25 VanDerWaalsContact O-OG1 3.08Å; V22-T25 WeakPolarHBondContact CA-OG1 3.22Å; V22-T25 PolarHBondContact O-N 3.41Å; V22-T25 PolarHBondContact O-OG1 3.01Å; T25-S29 VanDerWaalsContact O-CB 3.29Å; T25-S29 WeakPolarHBondContact O-CB 3.28Å; T25-S29 PolarHBondContact O-N 3.17Å; T25-S29 PolarHBondContact O-OG 3.37Å
26	D	50.9	Low	44.6	Very low	59 Å²	59	94.7 Å²	94.7	32%	0.316	49%	0.488	S	S	.	.	H	α-helix	trans	-71.4	-40.7	177.9	-158.2	-77.6	0	0	0	110.6	V22 S29 T30	V22-D26 VanDerWaalsContact O-CB 3.31Å; V22-D26 WeakPolarHBondContact O-CB 3.46Å; V22-D26 PolarHBondContact O-N 3.01Å; D26-S29 PolarHBondContact O-N 3.46Å; D26-T30 VanDerWaalsContact O-CB 3.25Å; D26-T30 WeakPolarHBondContact O-CB 3.29Å; D26-T30 PolarHBondContact O-N 3.24Å; D26-T30 PolarHBondContact O-OG1 2.85Å
27	F	49.8	Very low	45.3	Very low	103 Å²	103	98.5 Å²	98.5	45%	0.452	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-44.8	173.5	-173	-99.1	0	0	0	112.6	L23 Y24 T30 K31 V101	L23-F27 WeakPolarHBondContact O-CB 3.14Å; L23-F27 PolarHBondContact O-N 2.72Å; Y24-F27 PolarHBondContact O-N 3.05Å; F27-T30 PolarHBondContact O-N 2.81Å; F27-K31 WeakPolarHBondContact O-CB 3.31Å; F27-K31 PolarHBondContact O-N 2.84Å; F27-V101 HydrophobicContact CD2-CG1 4.48Å; F27-V101 HydrophobicContact CD2-CG2 4.44Å; F27-V101 HydrophobicContact CE2-CB 4.43Å; F27-V101 HydrophobicContact CE2-CG1 3.89Å; F27-V101 HydrophobicContact CE2-CG2 3.61Å; F27-V101 HydrophobicContact CZ-CG2 4.35Å
28	A	50	Low	45.8	Very low	33 Å²	33	100.2 Å²	100.2	27%	0.273	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-47.4	175.9	0	0	0	0	0	110.8	Y24 T30 K31 Y32	Y24-A28 VanDerWaalsContact O-CB 3.29Å; Y24-A28 WeakPolarHBondContact O-CB 3.3Å; Y24-A28 PolarHBondContact O-N 3.41Å; A28-T30 VanDerWaalsContact C-N 3.31Å; A28-T30 PolarHBondContact O-N 3.46Å; A28-K31 PolarHBondContact O-N 3.08Å; A28-Y32 VanDerWaalsContact O-CD2 3.28Å; A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 2.93Å
29	S	49.9	Very low	46.4	Very low	64 Å²	64	94.8 Å²	94.8	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-37.2	177	-66.6	0	0	0	0	112.5	T25 D26 Y32 A33	T25-S29 VanDerWaalsContact O-CB 3.29Å; T25-S29 WeakPolarHBondContact O-CB 3.28Å; T25-S29 PolarHBondContact O-N 3.17Å; T25-S29 PolarHBondContact O-OG 3.37Å; D26-S29 PolarHBondContact O-N 3.46Å; S29-Y32 PolarHBondContact O-N 2.95Å; S29-A33 VanDerWaalsContact O-CB 3.22Å; S29-A33 WeakPolarHBondContact O-CB 3.31Å; S29-A33 PolarHBondContact O-N 3.39Å
30	T	48.7	Very low	46.7	Very low	32 Å²	32	97.5 Å²	97.5	20%	0.196	49%	0.487	C	S	.	.	H	α-helix	trans	-70.2	-38.8	177	-60.4	0	0	0	0	111.7	D26 F27 A28 A33 L34	D26-T30 VanDerWaalsContact O-CB 3.25Å; D26-T30 WeakPolarHBondContact O-CB 3.29Å; D26-T30 PolarHBondContact O-N 3.24Å; D26-T30 PolarHBondContact O-OG1 2.85Å; F27-T30 PolarHBondContact O-N 2.81Å; A28-T30 VanDerWaalsContact C-N 3.31Å; A28-T30 PolarHBondContact O-N 3.46Å; T30-A33 PolarHBondContact O-N 2.84Å; T30-L34 HydrophobicContact CG2-CD1 4Å; T30-L34 HydrophobicContact CG2-CG 4.34Å; T30-L34 WeakPolarHBondContact O-CB 3.5Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.32Å; T30-L34 PolarHBondContact O-N 3.36Å
31	K	46.8	Very low	47	Very low	145 Å²	145	96.6 Å²	96.6	63%	0.63	48%	0.484	S	S	*	.	H	α-helix	trans	-61.5	-43.9	173	-173.7	-175.1	177.1	-173.3	0	111.5	F27 A28	F27-K31 WeakPolarHBondContact O-CB 3.31Å; F27-K31 PolarHBondContact O-N 2.84Å; A28-K31 PolarHBondContact O-N 3.08Å
32	Y	43.6	Very low	47.6	Very low	181 Å²	181	97.2 Å²	97.2	71%	0.71	49%	0.485	S	S	*	.	H	α-helix	trans	-66.5	-40.8	175	-87.6	-79.4	0	0	0	112	A28 S29 Q35	A28-Y32 VanDerWaalsContact O-CD2 3.28Å; A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 2.93Å; S29-Y32 PolarHBondContact O-N 2.95Å; Y32-Q35 PolarHBondContact O-N 3.31Å
33	A	42.5	Very low	47.7	Very low	14 Å²	14	98.4 Å²	98.4	12%	0.116	48%	0.48	C	S	.	.	H	α-helix	trans	-72.6	-32.3	-179.3	0	0	0	0	0	113.5	S29 T30 Q35 T36	S29-A33 VanDerWaalsContact O-CB 3.22Å; S29-A33 WeakPolarHBondContact O-CB 3.31Å; S29-A33 PolarHBondContact O-N 3.39Å; T30-A33 PolarHBondContact O-N 2.84Å; A33-Q35 VanDerWaalsContact C-N 3.25Å; A33-Q35 PolarHBondContact O-N 3.31Å; A33-T36 PolarHBondContact O-N 2.86Å; A33-T36 PolarHBondContact O-OG1 3.47Å
34	L	43.2	Very low	47.8	Very low	71 Å²	71	97.2 Å²	97.2	37%	0.372	48%	0.476	S	S	.	.	H	α-helix	trans	-65.5	-27.6	175.2	-81	167.1	0	0	0	112.9	T30 T36 V105	T30-L34 HydrophobicContact CG2-CD1 4Å; T30-L34 HydrophobicContact CG2-CG 4.34Å; T30-L34 WeakPolarHBondContact O-CB 3.5Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.32Å; T30-L34 PolarHBondContact O-N 3.36Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-V105 HydrophobicContact CD1-CG2 4.42Å
35	Q	46.8	Very low	47.9	Very low	165 Å²	165	94.3 Å²	94.3	77%	0.771	47%	0.468	S	S	*	.	H	α-helix	trans	-72.5	-26.4	171.3	-73.4	-152.8	-26.8	0	0	112.7	Y32 A33 K37	Y32-Q35 PolarHBondContact O-N 3.31Å; A33-Q35 VanDerWaalsContact C-N 3.25Å; A33-Q35 PolarHBondContact O-N 3.31Å; Q35-K37 PolarHBondContact O-N 3Å
36	T	44.6	Very low	48.2	Very low	76 Å²	76	92.7 Å²	92.7	47%	0.466	46%	0.456	S	S	.	.	S	Bend	trans	-83	108.1	174.2	64.9	0	0	0	0	109.7	A33 L34 Q38	A33-T36 PolarHBondContact O-N 2.86Å; A33-T36 PolarHBondContact O-OG1 3.47Å; L34-T36 VanDerWaalsContact C-N 3.32Å; T36-Q38 PolarHBondContact O-N 3.26Å
37	K	51.6	Low	48.3	Very low	183 Å²	183	91.9 Å²	91.9	80%	0.796	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-7.6	-176.1	-75.8	-168.4	175.4	-175.4	0	115.4	Q35	Q35-K37 PolarHBondContact O-N 3Å
38	Q	49.3	Very low	48.4	Very low	163 Å²	163	89.3 Å²	89.3	76%	0.762	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-6.7	-162.8	-116.4	-158.6	-12.9	0	0	117.2	T36	T36-Q38 PolarHBondContact O-N 3.26Å
39	Q	50.1	Low	48.5	Very low	77 Å²	77	94.1 Å²	94.1	36%	0.36	45%	0.45	S	S	.	.			trans	-129.7	38.6	-175.7	-69.6	-153.5	-14.2	0	0	114.9	G41	Q39-G41 VanDerWaalsContact C-N 3.34Å; Q39-G41 PolarHBondContact O-N 2.86Å
40	R	47.5	Very low	48.5	Very low	134 Å²	134	92.9 Å²	92.9	51%	0.506	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.2	-175.6	-72.5	-175.8	174.3	-171	-3.6	115.2	V44	R40-V44 WeakPolarHBondContact O-CG2 3.41Å
41	G	46.5	Very low	48.8	Very low	36 Å²	36	94.2 Å²	94.2	37%	0.371	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-53.2	-174.6	0	0	0	0	0	114.9	Q39	Q39-G41 VanDerWaalsContact C-N 3.34Å; Q39-G41 PolarHBondContact O-N 2.86Å
42	V	49.4	Very low	48.9	Very low	93 Å²	93	92.6 Å²	92.6	56%	0.564	44%	0.442	S	S	*	.	H	α-helix	trans	-72.9	-36.9	-171.2	-179.1	0	0	0	0	111.9	Q45 I46	V42-Q45 PolarHBondContact O-N 2.85Å; V42-I46 HydrophobicContact CG1-CD1 4.06Å; V42-I46 WeakPolarHBondContact O-CG1 3.42Å; V42-I46 PolarHBondContact O-N 3.27Å
43	R	49.3	Very low	49.2	Very low	112 Å²	112	90.1 Å²	90.1	42%	0.423	44%	0.435	S	S	.	.	H	α-helix	trans	-73.6	-28.3	-177.8	-70.1	-173.5	176.9	-120.2	-0.5	113.1	I46 W47	R43-I46 PolarHBondContact O-N 2.85Å; R43-W47 VanDerWaalsContact O-CB 3.31Å; R43-W47 WeakPolarHBondContact O-CB 3.25Å; R43-W47 PolarHBondContact O-N 3.32Å
44	V	51.5	Low	49.4	Very low	51 Å²	51	93 Å²	93	31%	0.309	45%	0.448	S	S	.	.	H	α-helix	trans	-70.1	-39.2	175.5	174.5	0	0	0	0	111.2	R40 W47 I48	R40-V44 WeakPolarHBondContact O-CG2 3.41Å; V44-W47 PolarHBondContact O-N 3.32Å; V44-I48 HydrophobicContact CG1-CD1 3.91Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.4Å; V44-I48 PolarHBondContact O-N 3.01Å
45	Q	45.5	Very low	49.6	Very low	112 Å²	112	92.8 Å²	92.8	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-43.7	173.4	-78.6	-85.7	9.2	0	0	111.9	V42 W47 I48 R49	V42-Q45 PolarHBondContact O-N 2.85Å; Q45-W47 VanDerWaalsContact C-N 3.3Å; Q45-W47 PolarHBondContact O-N 3.38Å; Q45-I48 PolarHBondContact O-N 3.42Å; Q45-R49 PolarHBondContact O-N 3.46Å
46	I	55.3	Low	49.4	Very low	42 Å²	42	91.9 Å²	91.9	22%	0.215	46%	0.456	C	S	.	.	H	α-helix	trans	-61.4	-42.8	175.1	-67.9	167.2	0	0	0	110.2	V42 R43 R49 S50 L145	V42-I46 HydrophobicContact CG1-CD1 4.06Å; V42-I46 WeakPolarHBondContact O-CG1 3.42Å; V42-I46 PolarHBondContact O-N 3.27Å; R43-I46 PolarHBondContact O-N 2.85Å; I46-R49 PolarHBondContact O-N 3.21Å; I46-S50 WeakPolarHBondContact O-CB 3.31Å; I46-S50 PolarHBondContact O-N 3.47Å; I46-S50 PolarHBondContact O-OG 3.49Å; I46-L145 HydrophobicContact CD1-CD2 4.27Å; I46-L145 HydrophobicContact CG1-CD2 4.19Å
47	W	51.4	Low	49.4	Very low	43 Å²	43	94.3 Å²	94.3	16%	0.163	46%	0.462	C	S	.	.	H	α-helix	trans	-65.8	-42.2	-179.5	-163.3	73	0	0	0	112.9	R43 V44 Q45 S50 I51 V101 V102	R43-W47 VanDerWaalsContact O-CB 3.31Å; R43-W47 WeakPolarHBondContact O-CB 3.25Å; R43-W47 PolarHBondContact O-N 3.32Å; V44-W47 PolarHBondContact O-N 3.32Å; Q45-W47 VanDerWaalsContact C-N 3.3Å; Q45-W47 PolarHBondContact O-N 3.38Å; W47-S50 PolarHBondContact O-N 2.93Å; W47-I51 HydrophobicContact CD2-CD1 3.86Å; W47-I51 HydrophobicContact CE3-CD1 3.59Å; W47-I51 HydrophobicContact CH2-CD1 3.73Å; W47-I51 HydrophobicContact CZ2-CD1 3.94Å; W47-I51 HydrophobicContact CZ3-CD1 3.54Å; W47-I51 WeakPolarHBondContact O-CG1 3.39Å; W47-I51 PolarHBondContact O-N 3.26Å; W47-V101 HydrophobicContact CH2-CB 4.38Å; W47-V101 HydrophobicContact CH2-CG1 3.96Å; W47-V101 HydrophobicContact CZ2-CB 4.26Å; W47-V101 HydrophobicContact CZ2-CG1 3.66Å; W47-V102 HydrophobicContact CH2-CB 3.92Å; W47-V102 HydrophobicContact CH2-CG2 3.24Å; W47-V102 HydrophobicContact CZ2-CG2 4.38Å; W47-V102 HydrophobicContact CZ3-CB 4.04Å; W47-V102 HydrophobicContact CZ3-CG1 4.41Å; W47-V102 HydrophobicContact CZ3-CG2 3.39Å
48	I	53.5	Low	49	Very low	48 Å²	48	88.4 Å²	88.4	25%	0.246	44%	0.439	C	S	.	.	H	α-helix	trans	-62.9	-43.6	174.4	-68.7	165.6	0	0	0	110.7	V44 Q45 S50 I51 E52 L120	V44-I48 HydrophobicContact CG1-CD1 3.91Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.4Å; V44-I48 PolarHBondContact O-N 3.01Å; Q45-I48 PolarHBondContact O-N 3.42Å; I48-S50 PolarHBondContact O-N 2.94Å; I48-I51 PolarHBondContact O-N 3.16Å; I48-E52 PolarHBondContact O-N 3.25Å; I48-L120 HydrophobicContact CD1-CD2 3.76Å
49	R	50.8	Low	48.6	Very low	134 Å²	134	85.6 Å²	85.6	51%	0.506	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-34.2	176.6	-84.1	-158.9	169	170.1	0.8	113.5	Q45 I46 I51 E52 F53 W142	Q45-R49 PolarHBondContact O-N 3.46Å; I46-R49 PolarHBondContact O-N 3.21Å; R49-I51 VanDerWaalsContact C-N 3.32Å; R49-E52 PolarHBondContact O-N 3.45Å; R49-F53 WeakPolarHBondContact O-CB 3.4Å; R49-F53 PolarHBondContact O-N 2.94Å; R49-W142 HydrophobicContact CB-CH2 4.32Å
50	S	51.5	Low	48	Very low	39 Å²	39	88.3 Å²	88.3	27%	0.273	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-40.5	172.3	-70.1	0	0	0	0	110.9	I46 W47 I48 F53 L54	I46-S50 WeakPolarHBondContact O-CB 3.31Å; I46-S50 PolarHBondContact O-N 3.47Å; I46-S50 PolarHBondContact O-OG 3.49Å; W47-S50 PolarHBondContact O-N 2.93Å; I48-S50 PolarHBondContact O-N 2.94Å; S50-F53 PolarHBondContact O-N 2.97Å; S50-L54 WeakPolarHBondContact O-CB 3.21Å; S50-L54 WeakPolarHBondContact O-CD1 3.3Å; S50-L54 PolarHBondContact O-N 2.9Å
51	I	54.7	Low	47.5	Very low	59 Å²	59	85.9 Å²	85.9	30%	0.303	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-41.9	174.8	-67	167.5	0	0	0	111.3	W47 I48 R49 L54 A55 V102	W47-I51 HydrophobicContact CD2-CD1 3.86Å; W47-I51 HydrophobicContact CE3-CD1 3.59Å; W47-I51 HydrophobicContact CH2-CD1 3.73Å; W47-I51 HydrophobicContact CZ2-CD1 3.94Å; W47-I51 HydrophobicContact CZ3-CD1 3.54Å; W47-I51 WeakPolarHBondContact O-CG1 3.39Å; W47-I51 PolarHBondContact O-N 3.26Å; I48-I51 PolarHBondContact O-N 3.16Å; R49-I51 VanDerWaalsContact C-N 3.32Å; I51-L54 WeakPolarHBondContact O-CB 3.32Å; I51-L54 PolarHBondContact O-N 3.37Å; I51-A55 PolarHBondContact O-N 3.28Å; I51-V102 HydrophobicContact CD1-CG2 3.87Å
52	E	48.7	Very low	47	Very low	112 Å²	112	89.6 Å²	89.6	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-40.2	175	-73.6	-177	153.2	0	0	112.2	I48 R49 L54 A55 L56	I48-E52 PolarHBondContact O-N 3.25Å; R49-E52 PolarHBondContact O-N 3.45Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-A55 PolarHBondContact O-N 3.13Å; E52-L56 PolarHBondContact O-N 3.44Å
53	F	48.9	Very low	46.1	Very low	128 Å²	128	92.3 Å²	92.3	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-66.7	-36.8	175.9	-160.3	-90.6	0	0	0	111.8	R49 S50 L56 Q57	R49-F53 WeakPolarHBondContact O-CB 3.4Å; R49-F53 PolarHBondContact O-N 2.94Å; S50-F53 PolarHBondContact O-N 2.97Å; F53-L56 PolarHBondContact O-N 3.29Å; F53-Q57 HydrophobicContact CD1-CG 4.3Å; F53-Q57 HydrophobicContact CE1-CG 4.08Å; F53-Q57 PolarHBondContact O-N 3.41Å; F53-Q57 VanDerWaalsContact O-N 3.08Å
54	L	47.8	Very low	45.4	Very low	74 Å²	74	92.2 Å²	92.2	39%	0.387	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-40.7	171	-101.4	127.4	0	0	0	112.1	L23 S50 I51 E52 L56 Q57 I58	L23-L54 HydrophobicContact CD2-CD1 3.86Å; L23-L54 HydrophobicContact CD2-CD2 4.41Å; S50-L54 WeakPolarHBondContact O-CB 3.21Å; S50-L54 WeakPolarHBondContact O-CD1 3.3Å; S50-L54 PolarHBondContact O-N 2.9Å; I51-L54 WeakPolarHBondContact O-CB 3.32Å; I51-L54 PolarHBondContact O-N 3.37Å; E52-L54 VanDerWaalsContact C-N 3.34Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 2.94Å; L54-Q57 PolarHBondContact O-N 2.94Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 3.49Å
55	A	46	Very low	44.5	Very low	67 Å²	67	97.7 Å²	97.7	55%	0.554	51%	0.514	S	S	*	.	H	α-helix	trans	-67.1	-30	177.1	0	0	0	0	0	112.9	I51 E52	I51-A55 PolarHBondContact O-N 3.28Å; E52-A55 PolarHBondContact O-N 3.13Å
56	L	43.9	Very low	44	Very low	147 Å²	147	99.3 Å²	99.3	77%	0.77	53%	0.526	S	S	*	.	H	α-helix	trans	-78.9	-25.6	175	-85.4	157.6	0	0	0	113.7	E52 F53 L54	E52-L56 PolarHBondContact O-N 3.44Å; F53-L56 PolarHBondContact O-N 3.29Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 2.94Å
57	Q	45.1	Very low	42.9	Very low	126 Å²	126	102.5 Å²	102.5	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-88.9	-12.4	177.5	-81.4	-125.9	-28.7	0	0	114.1	F53 L54 P59	F53-Q57 HydrophobicContact CD1-CG 4.3Å; F53-Q57 HydrophobicContact CE1-CG 4.08Å; F53-Q57 PolarHBondContact O-N 3.41Å; F53-Q57 VanDerWaalsContact O-N 3.08Å; L54-Q57 PolarHBondContact O-N 2.94Å; Q57-P59 WeakPolarHBondContact O-CD 3.37Å; Q57-P59 VanDerWaalsContact O-N 3.14Å
58	I	42.5	Very low	42.3	Very low	60 Å²	60	108 Å²	108	31%	0.308	58%	0.576	S	S	.	*	S	Bend	trans	-66	111.8	163.3	-63.7	166.3	0	0	0	105.2	L54 T60 L95	L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 3.49Å; I58-T60 PolarHBondContact O-N 2.76Å; I58-L95 HydrophobicContact CD1-CD1 4.22Å
59	P	39.9	Very low	41.4	Very low	104 Å²	104	115.6 Å²	115.6	68%	0.675	60%	0.601	S	S	*	*			trans	-54.7	120.9	172.5	23.6	-31.4	0	0	0	105.9	Q57 V61	Q57-P59 WeakPolarHBondContact O-CD 3.37Å; Q57-P59 VanDerWaalsContact O-N 3.14Å; P59-V61 VanDerWaalsContact C-N 3.26Å; P59-V61 WeakPolarHBondContact O-CG2 3.41Å; P59-V61 PolarHBondContact O-N 3.44Å
60	T	38.4	Very low	40.6	Very low	134 Å²	134	117.6 Å²	117.6	82%	0.822	61%	0.609	S	S	*	*			trans	-47.3	98.3	172.6	34.4	0	0	0	0	107.1	I58 P62	I58-T60 PolarHBondContact O-N 2.76Å; T60-P62 VanDerWaalsContact O-CD 3.3Å; T60-P62 WeakPolarHBondContact O-CD 3.35Å; T60-P62 VanDerWaalsContact O-N 3.1Å
61	V	36.5	Very low	39.7	Very low	83 Å²	83	121.5 Å²	121.5	50%	0.503	63%	0.632	S	S	.	*			trans	-62.7	117.1	178.5	-174.7	0	0	0	0	104	P59 N63 I64	P59-V61 VanDerWaalsContact C-N 3.26Å; P59-V61 WeakPolarHBondContact O-CG2 3.41Å; P59-V61 PolarHBondContact O-N 3.44Å; V61-N63 PolarHBondContact O-N 3.43Å; V61-I64 HydrophobicContact CG1-CD1 3.61Å; V61-I64 HydrophobicContact CG1-CG1 3.83Å
62	P	35.2	Very low	38.6	Very low	114 Å²	114	127.6 Å²	127.6	74%	0.74	66%	0.656	S	S	*	*			trans	-60.4	113.7	179.4	24.2	-31.3	0	0	0	107	T60 I64	T60-P62 VanDerWaalsContact O-CD 3.3Å; T60-P62 WeakPolarHBondContact O-CD 3.35Å; T60-P62 VanDerWaalsContact O-N 3.1Å; P62-I64 PolarHBondContact O-N 3Å
63	N	31.7	Very low	37.9	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	67%	0.666	S	S	*	*			trans	18.1	76.8	158.3	-154.4	5.7	0	0	0	113.7	V61 E65	V61-N63 PolarHBondContact O-N 3.43Å; N63-E65 VanDerWaalsContact C-N 3.34Å; N63-E65 PolarHBondContact O-N 2.88Å; N63-E65 VanDerWaalsContact O-N 3.1Å
64	I	35.3	Very low	37.1	Very low	111 Å²	111	130.5 Å²	130.5	57%	0.569	68%	0.676	S	S	*	*			trans	-75.4	100.1	166.6	-54	173.6	0	0	0	104.1	V61 P62 L66	V61-I64 HydrophobicContact CG1-CD1 3.61Å; V61-I64 HydrophobicContact CG1-CG1 3.83Å; P62-I64 PolarHBondContact O-N 3Å; I64-L66 PolarHBondContact O-N 3.23Å
65	E	31.6	Very low	36.4	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	69%	0.691	S	S	*	*			trans	-49.3	111.5	158.3	-83.4	179	112.4	0	0	106.6	N63 D67	N63-E65 VanDerWaalsContact C-N 3.34Å; N63-E65 PolarHBondContact O-N 2.88Å; N63-E65 VanDerWaalsContact O-N 3.1Å; E65-D67 PolarHBondContact O-N 3.19Å
66	L	36.2	Very low	35.7	Very low	145 Å²	145	135.9 Å²	135.9	76%	0.759	71%	0.705	S	S	*	*			trans	-67.9	78.6	163.4	-87	92.4	0	0	0	106.4	I64 D68	I64-L66 PolarHBondContact O-N 3.23Å; L66-D68 PolarHBondContact O-N 3.42Å
67	D	32.1	Very low	35.1	Very low	109 Å²	109	132 Å²	132	58%	0.583	70%	0.701	S	S	*	*			trans	-70.9	122.9	164.2	-160.4	-102.3	0	0	0	106.6	E65 R69	E65-D67 PolarHBondContact O-N 3.19Å; D67-R69 PolarHBondContact O-N 3.3Å
68	D	38.8	Very low	34.7	Very low	160 Å²	160	129.8 Å²	129.8	86%	0.856	70%	0.7	S	S	*	*	S	Bend	trans	-66	20.1	-173.1	-71.5	-45.1	0	0	0	114.3	L66 W70	L66-D68 PolarHBondContact O-N 3.42Å; D68-W70 PolarHBondContact O-N 3.14Å
69	R	34.4	Very low	34.5	Very low	206 Å²	206	130.1 Å²	130.1	78%	0.777	72%	0.718	S	S	*	*			trans	-95.8	68.7	175.1	-84.1	-176.1	176.8	-174.1	1.8	112.3	D67 T71	D67-R69 PolarHBondContact O-N 3.3Å; R69-T71 VanDerWaalsContact C-N 3.3Å; R69-T71 PolarHBondContact O-N 3.05Å
70	W	32.7	Very low	34.4	Very low	176 Å²	176	132 Å²	132	67%	0.667	72%	0.721	S	S	*	*			trans	-88.6	71.4	160.4	-73.6	85.4	0	0	0	110.3	D68 K85	D68-W70 PolarHBondContact O-N 3.14Å; W70-K85 HydrophobicContact CH2-CD 4.15Å; W70-K85 HydrophobicContact CZ3-CD 4.17Å
71	T	33	Very low	34.4	Very low	122 Å²	122	128.3 Å²	128.3	75%	0.748	70%	0.703	S	S	*	*			trans	-84.9	113.7	160.5	46	0	0	0	0	108.3	R69 D73	R69-T71 VanDerWaalsContact C-N 3.3Å; R69-T71 PolarHBondContact O-N 3.05Å; T71-D73 PolarHBondContact O-N 3.34Å
72	F	31.9	Very low	34.5	Very low	186 Å²	186	131.1 Å²	131.1	82%	0.816	72%	0.715	S	S	*	*			trans	-72.8	72.7	-177.5	-140	-90.4	0	0	0	109.9
73	D	33	Very low	34.7	Very low	136 Å²	136	128.1 Å²	128.1	73%	0.727	70%	0.7	S	S	*	*			trans	-94.2	104.6	173.5	-145.7	-100.8	0	0	0	108.9	T71 D75	T71-D73 PolarHBondContact O-N 3.34Å; D73-D75 VanDerWaalsContact C-N 3.29Å; D73-D75 PolarHBondContact O-N 2.94Å
74	Q	33.2	Very low	35	Very low	166 Å²	166	122.7 Å²	122.7	78%	0.776	68%	0.679	S	S	*	*			trans	-91.3	57.8	-173.8	-167.9	-175.6	9.3	0	0	109.1
75	D	32.5	Very low	35.2	Very low	130 Å²	130	123 Å²	123	70%	0.695	68%	0.676	S	S	*	*			trans	-142.3	118.2	177.1	-87.4	-51.5	0	0	0	112.4	D73	D73-D75 VanDerWaalsContact C-N 3.29Å; D73-D75 PolarHBondContact O-N 2.94Å
76	S	31.2	Very low	35.7	Very low	123 Å²	123	118.1 Å²	118.1	86%	0.86	66%	0.664	S	S	*	*	S	Bend	trans	69.3	85.5	152.7	-51.7	0	0	0	0	118.2
77	G	31.3	Very low	36.1	Very low	65 Å²	65	116.6 Å²	116.6	67%	0.67	66%	0.656	S	S	*	*			trans	161.4	102.1	156.7	0	0	0	0	0	117.9
78	S	37.2	Very low	36.7	Very low	81 Å²	81	114 Å²	114	57%	0.566	65%	0.646	S	S	*	*			trans	70.4	114.8	159.8	84.9	0	0	0	0	117.6	I80 A81	S78-I80 PolarHBondContact O-N 3.39Å; S78-A81 PolarHBondContact O-N 3.31Å; S78-A81 VanDerWaalsContact O-N 3.13Å
79	G	37.8	Very low	37	Very low	67 Å²	67	111.7 Å²	111.7	69%	0.691	63%	0.632	S	S	*	*	H	α-helix	trans	-59.7	-6.2	173.1	0	0	0	0	0	115.3	A83	G79-A83 PolarHBondContact O-N 3.08Å
80	I	37.6	Very low	37.6	Very low	143 Å²	143	103.5 Å²	103.5	73%	0.733	61%	0.613	S	S	*	*	H	α-helix	trans	-78.7	-33.8	178.2	-37.2	175.4	0	0	0	110.7	S78 G84	S78-I80 PolarHBondContact O-N 3.39Å; I80-G84 PolarHBondContact O-N 2.9Å
81	A	39.7	Very low	38.2	Very low	56 Å²	56	97.1 Å²	97.1	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-71.1	-32.4	178.7	0	0	0	0	0	112.6	S78 K85	S78-A81 PolarHBondContact O-N 3.31Å; S78-A81 VanDerWaalsContact O-N 3.13Å; A81-K85 PolarHBondContact O-N 3.37Å
82	L	39.2	Very low	38.8	Very low	143 Å²	143	96.8 Å²	96.8	75%	0.749	59%	0.588	S	S	*	*	H	α-helix	trans	-72.8	-39.8	176.8	-143.2	95.5	0	0	0	111.6	K85 A86	L82-K85 PolarHBondContact O-N 3.37Å; L82-A86 PolarHBondContact O-N 2.88Å
83	A	38.9	Very low	39.6	Very low	51 Å²	51	91.1 Å²	91.1	42%	0.421	57%	0.57	S	S	.	*	H	α-helix	trans	-66.5	-37	179.2	0	0	0	0	0	112.3	G79 A86 L87	G79-A83 PolarHBondContact O-N 3.08Å; A83-A86 PolarHBondContact O-N 3.04Å; A83-L87 WeakPolarHBondContact O-CB 3.36Å; A83-L87 PolarHBondContact O-N 3.25Å
84	G	38.5	Very low	40.5	Very low	34 Å²	34	87.5 Å²	87.5	35%	0.351	56%	0.556	S	S	.	*	H	α-helix	trans	-64.1	-43.1	174.2	0	0	0	0	0	113	I80 L87 C88	I80-G84 PolarHBondContact O-N 2.9Å; G84-L87 PolarHBondContact O-N 3.37Å; G84-C88 PolarHBondContact O-N 3.48Å; G84-C88 VanDerWaalsContact O-N 3.1Å; G84-C88 PolarHBondContact O-SG 3.33Å
85	K	38.5	Very low	41.3	Very low	118 Å²	118	84 Å²	84	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-65.8	-38.9	176.2	-72.5	-175.9	176.6	-176.1	0	112.1	W70 A81 L82 C88 I89	W70-K85 HydrophobicContact CH2-CD 4.15Å; W70-K85 HydrophobicContact CZ3-CD 4.17Å; A81-K85 PolarHBondContact O-N 3.37Å; L82-K85 PolarHBondContact O-N 3.37Å; K85-C88 PolarHBondContact O-N 3.02Å; K85-I89 WeakPolarHBondContact O-CD1 3.45Å; K85-I89 WeakPolarHBondContact O-CG1 3.49Å; K85-I89 PolarHBondContact O-N 2.94Å; K85-I89 VanDerWaalsContact O-N 3.13Å
86	A	41.8	Very low	42.2	Very low	64 Å²	64	81 Å²	81	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-68	-37.7	175.9	0	0	0	0	0	113	L82 A83 I89 G90	L82-A86 PolarHBondContact O-N 2.88Å; A83-A86 PolarHBondContact O-N 3.04Å; A86-I89 PolarHBondContact O-N 3.21Å; A86-G90 PolarHBondContact O-N 3.42Å
87	L	45.6	Very low	43.2	Very low	112 Å²	112	81.2 Å²	81.2	59%	0.586	53%	0.526	S	S	*	.	H	α-helix	trans	-64.5	-40.3	174.9	-96.2	158.5	0	0	0	112.3	A83 G84 G90 S91	A83-L87 WeakPolarHBondContact O-CB 3.36Å; A83-L87 PolarHBondContact O-N 3.25Å; G84-L87 PolarHBondContact O-N 3.37Å; L87-G90 PolarHBondContact O-N 3.07Å; L87-S91 WeakPolarHBondContact O-CB 3.32Å; L87-S91 PolarHBondContact O-N 3.04Å
88	C	43.5	Very low	44.2	Very low	56 Å²	56	79.9 Å²	79.9	38%	0.378	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-41.9	176.1	-71.9	0	0	0	0	112.2	G84 K85 S91 L92	G84-C88 PolarHBondContact O-N 3.48Å; G84-C88 VanDerWaalsContact O-N 3.1Å; G84-C88 PolarHBondContact O-SG 3.33Å; K85-C88 PolarHBondContact O-N 3.02Å; C88-S91 PolarHBondContact O-N 2.82Å; C88-L92 WeakPolarHBondContact O-CB 3.3Å; C88-L92 WeakPolarHBondContact O-CG 3.45Å; C88-L92 PolarHBondContact O-N 3.45Å
89	I	46.3	Very low	44.8	Very low	110 Å²	110	77.7 Å²	77.7	56%	0.564	50%	0.499	S	S	*	.	H	α-helix	trans	-65.6	-41.4	175.7	-66.7	163.1	0	0	0	110.6	K85 A86 L92 C93	K85-I89 WeakPolarHBondContact O-CD1 3.45Å; K85-I89 WeakPolarHBondContact O-CG1 3.49Å; K85-I89 PolarHBondContact O-N 2.94Å; K85-I89 VanDerWaalsContact O-N 3.13Å; A86-I89 PolarHBondContact O-N 3.21Å; I89-L92 PolarHBondContact O-N 2.86Å; I89-C93 WeakPolarHBondContact O-CB 3.19Å; I89-C93 PolarHBondContact O-N 3.48Å; I89-C93 PolarHBondContact O-SG 3.32Å
90	G	45.5	Very low	45.5	Very low	35 Å²	35	76.6 Å²	76.6	36%	0.361	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-39.2	176.3	0	0	0	0	0	113.7	A86 L87 S94	A86-G90 PolarHBondContact O-N 3.42Å; L87-G90 PolarHBondContact O-N 3.07Å; G90-S94 WeakPolarHBondContact O-CB 3.37Å; G90-S94 PolarHBondContact O-N 3.28Å; G90-S94 PolarHBondContact O-OG 2.95Å
91	S	45.5	Very low	46.3	Very low	42 Å²	42	71.8 Å²	71.8	29%	0.294	47%	0.465	S	S	.	.	H	α-helix	trans	-67.2	-45.5	174.5	-179.8	0	0	0	0	111.8	L87 C88 C93 S94 L95	L87-S91 WeakPolarHBondContact O-CB 3.32Å; L87-S91 PolarHBondContact O-N 3.04Å; C88-S91 PolarHBondContact O-N 2.82Å; S91-C93 PolarHBondContact O-N 3.48Å; S91-S94 WeakPolarHBondContact O-CB 3.21Å; S91-S94 PolarHBondContact O-N 3.36Å; S91-S94 VanDerWaalsContact O-N 3.13Å; S91-L95 WeakPolarHBondContact O-CD1 3.14Å; S91-L95 PolarHBondContact O-N 2.84Å
92	L	45.3	Very low	47	Very low	114 Å²	114	71.2 Å²	71.2	60%	0.597	46%	0.456	S	S	*	.	H	α-helix	trans	-64.8	-37.1	176.4	-70.5	169.8	0	0	0	112.3	C88 I89 S94 L95 A96	C88-L92 WeakPolarHBondContact O-CB 3.3Å; C88-L92 WeakPolarHBondContact O-CG 3.45Å; C88-L92 PolarHBondContact O-N 3.45Å; I89-L92 PolarHBondContact O-N 2.86Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-L95 PolarHBondContact O-N 3.36Å; L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.45Å; L92-A96 PolarHBondContact O-N 3.07Å
93	C	49.2	Very low	47.7	Very low	67 Å²	67	71.8 Å²	71.8	45%	0.453	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-36.8	171.9	-82.1	0	0	0	0	112.2	I89 S91 A96 L97	I89-C93 WeakPolarHBondContact O-CB 3.19Å; I89-C93 PolarHBondContact O-N 3.48Å; I89-C93 PolarHBondContact O-SG 3.32Å; S91-C93 PolarHBondContact O-N 3.48Å; C93-A96 PolarHBondContact O-N 3.31Å; C93-L97 WeakPolarHBondContact O-CB 3.45Å; C93-L97 VanDerWaalsContact O-CG 3.27Å; C93-L97 WeakPolarHBondContact O-CG 3.1Å; C93-L97 PolarHBondContact O-N 3.24Å
94	S	51.6	Low	48.4	Very low	60 Å²	60	70.9 Å²	70.9	42%	0.42	45%	0.448	S	S	.	.	H	α-helix	trans	-69.5	-38.6	176.8	-57	0	0	0	0	111.6	G90 S91 L92 A98	G90-S94 WeakPolarHBondContact O-CB 3.37Å; G90-S94 PolarHBondContact O-N 3.28Å; G90-S94 PolarHBondContact O-OG 2.95Å; S91-S94 WeakPolarHBondContact O-CB 3.21Å; S91-S94 PolarHBondContact O-N 3.36Å; S91-S94 VanDerWaalsContact O-N 3.13Å; L92-S94 VanDerWaalsContact C-N 3.34Å; S94-A98 WeakPolarHBondContact O-CB 3.45Å; S94-A98 PolarHBondContact O-N 3.49Å
95	L	50.8	Low	49	Very low	92 Å²	92	70.8 Å²	70.8	48%	0.482	44%	0.441	S	S	.	.	H	α-helix	trans	-65.8	-39.4	171.4	-81.4	150.5	0	0	0	112.2	I58 S91 L92 G99	I58-L95 HydrophobicContact CD1-CD1 4.22Å; S91-L95 WeakPolarHBondContact O-CD1 3.14Å; S91-L95 PolarHBondContact O-N 2.84Å; L92-L95 PolarHBondContact O-N 3.36Å; L95-G99 WeakPolarHBondContact O-CA 3.48Å; L95-G99 PolarHBondContact O-N 3.5Å
96	A	51.8	Low	49.5	Very low	69 Å²	69	66.3 Å²	66.3	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-69.4	-38.2	176.5	0	0	0	0	0	112	L92 C93 G100	L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.45Å; L92-A96 PolarHBondContact O-N 3.07Å; C93-A96 PolarHBondContact O-N 3.31Å; A96-G100 PolarHBondContact O-N 2.93Å
97	L	51.5	Low	49.8	Very low	127 Å²	127	71.6 Å²	71.6	67%	0.665	44%	0.435	S	S	*	.	H	α-helix	trans	-70.7	-44.3	174.4	-74.8	168.3	0	0	0	111.3	C93 G100 V101	C93-L97 WeakPolarHBondContact O-CB 3.45Å; C93-L97 VanDerWaalsContact O-CG 3.27Å; C93-L97 WeakPolarHBondContact O-CG 3.1Å; C93-L97 PolarHBondContact O-N 3.24Å; L97-G100 PolarHBondContact O-N 3.47Å; L97-V101 WeakPolarHBondContact O-CG2 3.17Å; L97-V101 PolarHBondContact O-N 3.18Å
98	A	53.2	Low	50.3	Low	37 Å²	37	73.5 Å²	73.5	31%	0.306	45%	0.445	S	S	.	.	H	α-helix	trans	-60	-48.4	173.4	0	0	0	0	0	110.4	S94 G100 V101 V102	S94-A98 WeakPolarHBondContact O-CB 3.45Å; S94-A98 PolarHBondContact O-N 3.49Å; A98-G100 PolarHBondContact O-N 3.26Å; A98-V101 PolarHBondContact O-N 2.95Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.35Å
99	G	48.6	Very low	50.5	Low	35 Å²	35	74.1 Å²	74.1	36%	0.361	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-38.9	176.5	0	0	0	0	0	113.5	L95 V102 F103	L95-G99 WeakPolarHBondContact O-CA 3.48Å; L95-G99 PolarHBondContact O-N 3.5Å; G99-V102 PolarHBondContact O-N 3.43Å; G99-F103 VanDerWaalsContact O-CB 3.23Å; G99-F103 WeakPolarHBondContact O-CB 3.21Å; G99-F103 PolarHBondContact O-N 2.89Å
100	G	53.2	Low	50.3	Low	44 Å²	44	71.3 Å²	71.3	45%	0.454	44%	0.443	S	S	.	.	H	α-helix	trans	-66.7	-37	175	0	0	0	0	0	112.9	A96 L97 A98 G104	A96-G100 PolarHBondContact O-N 2.93Å; L97-G100 PolarHBondContact O-N 3.47Å; A98-G100 PolarHBondContact O-N 3.26Å; G100-G104 PolarHBondContact O-N 3.14Å
101	V	54.7	Low	50.2	Low	42 Å²	42	72.7 Å²	72.7	26%	0.255	44%	0.441	S	S	.	.	H	α-helix	trans	-71.3	-40.9	173.7	176.2	0	0	0	0	110.7	F27 W47 L97 A98 F103 G104 V105	F27-V101 HydrophobicContact CD2-CG1 4.48Å; F27-V101 HydrophobicContact CD2-CG2 4.44Å; F27-V101 HydrophobicContact CE2-CB 4.43Å; F27-V101 HydrophobicContact CE2-CG1 3.89Å; F27-V101 HydrophobicContact CE2-CG2 3.61Å; F27-V101 HydrophobicContact CZ-CG2 4.35Å; W47-V101 HydrophobicContact CH2-CB 4.38Å; W47-V101 HydrophobicContact CH2-CG1 3.96Å; W47-V101 HydrophobicContact CZ2-CB 4.26Å; W47-V101 HydrophobicContact CZ2-CG1 3.66Å; L97-V101 WeakPolarHBondContact O-CG2 3.17Å; L97-V101 PolarHBondContact O-N 3.18Å; A98-V101 PolarHBondContact O-N 2.95Å; V101-F103 VanDerWaalsContact C-N 3.33Å; V101-F103 PolarHBondContact O-N 3.31Å; V101-G104 PolarHBondContact O-N 3.44Å; V101-V105 HydrophobicContact CG1-CG2 4.24Å; V101-V105 VanDerWaalsContact O-CB 3.32Å; V101-V105 WeakPolarHBondContact O-CB 3.41Å; V101-V105 WeakPolarHBondContact O-CG2 3.27Å; V101-V105 PolarHBondContact O-N 2.89Å
102	V	54.3	Low	50.1	Low	44 Å²	44	76.1 Å²	76.1	27%	0.267	47%	0.465	S	S	.	.	H	α-helix	trans	-58.9	-48.9	173.6	177.3	0	0	0	0	108.9	W47 I51 A98 G99 G104 V105 C106	W47-V102 HydrophobicContact CH2-CB 3.92Å; W47-V102 HydrophobicContact CH2-CG2 3.24Å; W47-V102 HydrophobicContact CZ2-CG2 4.38Å; W47-V102 HydrophobicContact CZ3-CB 4.04Å; W47-V102 HydrophobicContact CZ3-CG1 4.41Å; W47-V102 HydrophobicContact CZ3-CG2 3.39Å; I51-V102 HydrophobicContact CD1-CG2 3.87Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.35Å; G99-V102 PolarHBondContact O-N 3.43Å; V102-G104 PolarHBondContact O-N 3.28Å; V102-V105 PolarHBondContact O-N 3.31Å; V102-C106 WeakPolarHBondContact O-CB 3.46Å; V102-C106 PolarHBondContact O-N 3.27Å; V102-C106 PolarHBondContact O-SG 3.14Å
103	F	53	Low	50.1	Low	155 Å²	155	77.7 Å²	77.7	68%	0.68	47%	0.467	S	S	*	.	H	α-helix	trans	-65	-40.3	-179.1	-167	-98.1	0	0	0	112	G99 V101 K107	G99-F103 VanDerWaalsContact O-CB 3.23Å; G99-F103 WeakPolarHBondContact O-CB 3.21Å; G99-F103 PolarHBondContact O-N 2.89Å; V101-F103 VanDerWaalsContact C-N 3.33Å; V101-F103 PolarHBondContact O-N 3.31Å; F103-K107 WeakPolarHBondContact O-CB 3.23Å; F103-K107 PolarHBondContact O-N 2.82Å
104	G	53.1	Low	49.9	Very low	32 Å²	32	81.3 Å²	81.3	33%	0.33	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-43.8	174.5	0	0	0	0	0	112.7	G100 V101 V102 K107 L108	G100-G104 PolarHBondContact O-N 3.14Å; V101-G104 PolarHBondContact O-N 3.44Å; V102-G104 PolarHBondContact O-N 3.28Å; G104-K107 PolarHBondContact O-N 3.43Å; G104-L108 WeakPolarHBondContact O-CB 3.34Å; G104-L108 PolarHBondContact O-N 3.34Å
105	V	52.6	Low	49.6	Very low	32 Å²	32	84.3 Å²	84.3	19%	0.194	49%	0.492	C	S	.	.	H	α-helix	trans	-68.3	-40.2	177.2	172.2	0	0	0	0	111.1	L34 V101 V102 K107 L108 L109	L34-V105 HydrophobicContact CD1-CG2 4.42Å; V101-V105 HydrophobicContact CG1-CG2 4.24Å; V101-V105 VanDerWaalsContact O-CB 3.32Å; V101-V105 WeakPolarHBondContact O-CB 3.41Å; V101-V105 WeakPolarHBondContact O-CG2 3.27Å; V101-V105 PolarHBondContact O-N 2.89Å; V102-V105 PolarHBondContact O-N 3.31Å; V105-K107 PolarHBondContact O-N 2.82Å; V105-L108 PolarHBondContact O-N 3.12Å; V105-L109 HydrophobicContact CG1-CD1 3.61Å; V105-L109 HydrophobicContact CG1-CG 4.23Å; V105-L109 VanDerWaalsContact O-CB 3.32Å; V105-L109 WeakPolarHBondContact O-CB 3.46Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.35Å; V105-L109 PolarHBondContact O-N 2.77Å
106	C	48.8	Very low	49.2	Very low	24 Å²	24	83.2 Å²	83.2	16%	0.162	49%	0.487	C	S	.	.	H	α-helix	trans	-60.9	-42.3	172.3	-74.9	0	0	0	0	112	V102 L108 L109 G110 I111	V102-C106 WeakPolarHBondContact O-CB 3.46Å; V102-C106 PolarHBondContact O-N 3.27Å; V102-C106 PolarHBondContact O-SG 3.14Å; C106-L108 VanDerWaalsContact C-N 3.34Å; C106-L109 PolarHBondContact O-N 3.21Å; C106-G110 PolarHBondContact O-N 3.33Å; C106-I111 HydrophobicContact CB-CB 4.47Å; C106-I111 PolarHBondContact O-N 2.78Å
107	K	48.5	Very low	48.9	Very low	175 Å²	175	83.9 Å²	83.9	76%	0.761	48%	0.48	S	S	*	.	H	α-helix	trans	-66.2	-36.1	175.9	-151.1	-167.5	-175.5	-174.7	0	112	F103 G104 V105	F103-K107 WeakPolarHBondContact O-CB 3.23Å; F103-K107 PolarHBondContact O-N 2.82Å; G104-K107 PolarHBondContact O-N 3.43Å; V105-K107 PolarHBondContact O-N 2.82Å
108	L	54.7	Low	48.5	Very low	151 Å²	151	81.8 Å²	81.8	79%	0.791	47%	0.473	S	S	*	.	H	α-helix	trans	-74	-32.8	177.5	-125.8	110.8	0	0	0	113.4	G104 V105 C106 G110	G104-L108 WeakPolarHBondContact O-CB 3.34Å; G104-L108 PolarHBondContact O-N 3.34Å; V105-L108 PolarHBondContact O-N 3.12Å; C106-L108 VanDerWaalsContact C-N 3.34Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-G110 PolarHBondContact O-N 2.82Å
109	L	48.5	Very low	48	Very low	69 Å²	69	85.9 Å²	85.9	36%	0.361	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.9	178	-72.8	171	0	0	0	113.1	V105 C106 I111	V105-L109 HydrophobicContact CG1-CD1 3.61Å; V105-L109 HydrophobicContact CG1-CG 4.23Å; V105-L109 VanDerWaalsContact O-CB 3.32Å; V105-L109 WeakPolarHBondContact O-CB 3.46Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.35Å; V105-L109 PolarHBondContact O-N 2.77Å; C106-L109 PolarHBondContact O-N 3.21Å; L109-I111 VanDerWaalsContact C-N 3.27Å; L109-I111 HydrophobicContact CB-CD1 4.1Å; L109-I111 HydrophobicContact CB-CG1 3.99Å; L109-I111 HydrophobicContact CD1-CD1 4.36Å; L109-I111 PolarHBondContact O-N 2.82Å
110	G	43.1	Very low	47.7	Very low	52 Å²	52	87.1 Å²	87.1	54%	0.536	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	23.3	179.2	0	0	0	0	0	113.6	C106 L108 S112	C106-G110 PolarHBondContact O-N 3.33Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-G110 PolarHBondContact O-N 2.82Å; G110-S112 PolarHBondContact O-N 3.38Å; G110-S112 PolarHBondContact O-OG 2.86Å
111	I	43.1	Very low	47.3	Very low	63 Å²	63	94.2 Å²	94.2	32%	0.323	50%	0.5	S	S	.	.			trans	-79.8	78.9	176.5	-52.5	175.3	0	0	0	107.4	C106 L109 K113 D116	C106-I111 HydrophobicContact CB-CB 4.47Å; C106-I111 PolarHBondContact O-N 2.78Å; L109-I111 VanDerWaalsContact C-N 3.27Å; L109-I111 HydrophobicContact CB-CD1 4.1Å; L109-I111 HydrophobicContact CB-CG1 3.99Å; L109-I111 HydrophobicContact CD1-CD1 4.36Å; L109-I111 PolarHBondContact O-N 2.82Å; I111-K113 PolarHBondContact O-N 2.95Å; I111-D116 HydrophobicContact CG2-CB 4.41Å
112	S	43.9	Very low	46.8	Very low	114 Å²	114	99.7 Å²	99.7	80%	0.797	52%	0.521	S	S	*	.			trans	-79.9	2.7	-175.4	-48.7	0	0	0	0	113.9	G110	G110-S112 PolarHBondContact O-N 3.38Å; G110-S112 PolarHBondContact O-OG 2.86Å
113	K	43.3	Very low	46	Very low	148 Å²	148	100.9 Å²	100.9	64%	0.643	54%	0.542	S	S	*	.			trans	-134.4	120.5	-175	-68.1	-173	178.5	-179.5	0	111.2	I111 D115 D116	I111-K113 PolarHBondContact O-N 2.95Å; K113-D115 HydrophobicContact CB-CB 4.44Å; K113-D115 PolarHBondContact O-N 2.84Å; K113-D115 VanDerWaalsContact O-N 3.14Å; K113-D116 PolarHBondContact O-N 2.97Å
114	L	44.9	Very low	45.5	Very low	143 Å²	143	100.7 Å²	100.7	75%	0.749	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.6	172	-139.2	94.4	0	0	0	112.2	D116 L117	L114-D116 VanDerWaalsContact C-N 3.28Å; L114-D116 PolarHBondContact O-N 3.09Å; L114-L117 PolarHBondContact O-N 2.7Å
115	D	45.9	Very low	45	Very low	122 Å²	122	103.8 Å²	103.8	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-58.9	-31.3	176.9	-77.9	-77.7	0	0	0	114.2	K113 T118 K119	K113-D115 HydrophobicContact CB-CB 4.44Å; K113-D115 PolarHBondContact O-N 2.84Å; K113-D115 VanDerWaalsContact O-N 3.14Å; D115-T118 PolarHBondContact O-N 3.12Å; D115-K119 PolarHBondContact O-N 2.92Å
116	D	43.2	Very low	44.1	Very low	69 Å²	69	107.8 Å²	107.8	37%	0.369	58%	0.577	S	S	.	*	H	α-helix	trans	-75.6	-27.1	-179.9	-95.7	-26	0	0	0	113.2	I111 K113 L114 T118 K119 L120	I111-D116 HydrophobicContact CG2-CB 4.41Å; K113-D116 PolarHBondContact O-N 2.97Å; L114-D116 VanDerWaalsContact C-N 3.28Å; L114-D116 PolarHBondContact O-N 3.09Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.46Å; D116-K119 PolarHBondContact O-N 3.44Å; D116-L120 WeakPolarHBondContact O-CB 3.49Å; D116-L120 PolarHBondContact O-N 3.46Å
117	L	44.7	Very low	43.7	Very low	83 Å²	83	114.6 Å²	114.6	44%	0.435	60%	0.604	S	S	.	*	H	α-helix	trans	-65.9	-32.8	174.5	-82.9	145.7	0	0	0	111.6	L114 L120 K121	L114-L117 PolarHBondContact O-N 2.7Å; L117-L120 WeakPolarHBondContact O-CB 3.41Å; L117-L120 PolarHBondContact O-N 2.91Å; L117-K121 PolarHBondContact O-N 3.43Å
118	T	43	Very low	43	Very low	84 Å²	84	109.5 Å²	109.5	52%	0.515	60%	0.601	S	S	.	*	H	α-helix	trans	-73.5	-30.1	177.4	-42	0	0	0	0	111.8	D115 D116	D115-T118 PolarHBondContact O-N 3.12Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.46Å
119	K	43.4	Very low	42.1	Very low	122 Å²	122	110.5 Å²	110.5	53%	0.53	60%	0.602	S	S	.	*	H	α-helix	trans	-73.8	-34	170	-72.7	-177.1	177.3	178	0	112.4	D115 D116 K122 G123	D115-K119 PolarHBondContact O-N 2.92Å; D116-K119 PolarHBondContact O-N 3.44Å; K119-K122 PolarHBondContact O-N 2.94Å; K119-K122 VanDerWaalsContact O-N 3.14Å; K119-G123 PolarHBondContact O-N 3.46Å
120	L	42.3	Very low	41.4	Very low	62 Å²	62	116.5 Å²	116.5	33%	0.325	63%	0.625	S	S	.	*	H	α-helix	trans	-61.5	-42.2	173	-124.7	144.8	0	0	0	111.8	I48 D116 L117 K122 G123 F125	I48-L120 HydrophobicContact CD1-CD2 3.76Å; D116-L120 WeakPolarHBondContact O-CB 3.49Å; D116-L120 PolarHBondContact O-N 3.46Å; L117-L120 WeakPolarHBondContact O-CB 3.41Å; L117-L120 PolarHBondContact O-N 2.91Å; L120-K122 PolarHBondContact O-N 2.9Å; L120-G123 PolarHBondContact O-N 3.43Å; L120-F125 HydrophobicContact CD1-CD2 4.36Å; L120-F125 HydrophobicContact CD1-CE2 4.4Å; L120-F125 HydrophobicContact CG-CD2 4.26Å
121	K	44.8	Very low	41	Very low	192 Å²	192	121.5 Å²	121.5	84%	0.835	64%	0.639	S	S	*	*	H	α-helix	trans	-63.5	-25.7	174.3	-168.9	177.7	-178.7	-178.8	0	113.5	L117	L117-K121 PolarHBondContact O-N 3.43Å
122	K	43.1	Very low	40.7	Very low	158 Å²	158	127.9 Å²	127.9	69%	0.687	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-1.1	178.1	-79.4	-176	173.9	-176.6	0	114.1	K119 L120 E124	K119-K122 PolarHBondContact O-N 2.94Å; K119-K122 VanDerWaalsContact O-N 3.14Å; L120-K122 PolarHBondContact O-N 2.9Å; K122-E124 PolarHBondContact O-N 3.13Å
123	G	38.8	Very low	40.5	Very low	69 Å²	69	130.3 Å²	130.3	71%	0.711	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.4	8.6	179.1	0	0	0	0	0	114.8	K119 L120 F125	K119-G123 PolarHBondContact O-N 3.46Å; L120-G123 PolarHBondContact O-N 3.43Å; G123-F125 PolarHBondContact O-N 3.03Å
124	E	41.2	Very low	40.2	Very low	151 Å²	151	126.9 Å²	126.9	71%	0.706	67%	0.671	S	S	*	*			trans	-99.5	57.2	179.4	-74.3	-172.3	117.7	0	0	111.4	K122	K122-E124 PolarHBondContact O-N 3.13Å
125	F	42.7	Very low	39.9	Very low	97 Å²	97	125 Å²	125	43%	0.425	67%	0.67	S	S	.	*			trans	-98.3	88	169.8	-144.7	-90.3	0	0	0	110.1	L120 G123 F127	L120-F125 HydrophobicContact CD1-CD2 4.36Å; L120-F125 HydrophobicContact CD1-CE2 4.4Å; L120-F125 HydrophobicContact CG-CD2 4.26Å; G123-F125 PolarHBondContact O-N 3.03Å; F125-F127 AromaticContact CD1-CD2 3.84Å; F125-F127 HydrophobicContact CD1-CD2 3.84Å; F125-F127 HydrophobicContact CD1-CE2 4.07Å; F125-F127 AromaticContact CE1-CD2 4Å; F125-F127 HydrophobicContact CE1-CD2 4Å; F125-F127 AromaticContact CE1-CE2 3.9Å; F125-F127 HydrophobicContact CE1-CE2 3.9Å; F125-F127 PolarHBondContact O-N 3.46Å
126	S	33.5	Very low	39.7	Very low	115 Å²	115	123.2 Å²	123.2	80%	0.804	68%	0.68	S	S	*	*			trans	-74.9	105.9	167.3	-76.9	0	0	0	0	108.8	G128	S126-G128 PolarHBondContact O-N 2.84Å
127	F	41.9	Very low	39.9	Very low	168 Å²	168	130.7 Å²	130.7	74%	0.737	70%	0.703	S	S	*	*			trans	-66.8	82.1	163.6	-111.9	-88.3	0	0	0	108.3	F125 Q129	F125-F127 AromaticContact CD1-CD2 3.84Å; F125-F127 HydrophobicContact CD1-CD2 3.84Å; F125-F127 HydrophobicContact CD1-CE2 4.07Å; F125-F127 AromaticContact CE1-CD2 4Å; F125-F127 HydrophobicContact CE1-CD2 4Å; F125-F127 AromaticContact CE1-CE2 3.9Å; F125-F127 HydrophobicContact CE1-CE2 3.9Å; F125-F127 PolarHBondContact O-N 3.46Å; F127-Q129 PolarHBondContact O-N 2.86Å
128	G	32.2	Very low	40	Very low	67 Å²	67	137 Å²	137	69%	0.691	72%	0.721	S	S	*	*			trans	-71	109	164	0	0	0	0	0	107.7	S126	S126-G128 PolarHBondContact O-N 2.84Å
129	Q	36.4	Very low	40.3	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	72%	0.716	S	S	*	*	S	Bend	trans	130.7	91	152.3	-158.2	164.3	32.7	0	0	113.3	F127 D131	F127-Q129 PolarHBondContact O-N 2.86Å; Q129-D131 PolarHBondContact O-N 3.39Å
130	K	33.2	Very low	40.7	Very low	194 Å²	194	137 Å²	137	84%	0.843	72%	0.723	S	S	*	*			trans	29.6	89.7	134.5	-65.8	177.5	174.8	175.6	0	115.8
131	D	36.6	Very low	41	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	73%	0.729	S	S	*	*			trans	-145.2	133.2	138	-86.8	-37.4	0	0	0	109.1	Q129 F133	Q129-D131 PolarHBondContact O-N 3.39Å; D131-F133 PolarHBondContact O-N 3.43Å
132	Q	36.3	Very low	41.2	Very low	198 Å²	198	134.9 Å²	134.9	93%	0.925	71%	0.714	S	S	*	*			trans	-64.4	96.9	-162.3	-64.5	162.1	-1.7	0	0	112.2
133	F	39.4	Very low	41.4	Very low	165 Å²	165	134.2 Å²	134.2	72%	0.724	71%	0.713	S	S	*	*			trans	-95.7	107.2	153.4	-91	-86.2	0	0	0	108.3	D131 S135	D131-F133 PolarHBondContact O-N 3.43Å; F133-S135 PolarHBondContact O-N 2.94Å
134	G	36.8	Very low	42.1	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	70%	0.701	S	S	*	*			trans	-53.9	133.4	179.7	0	0	0	0	0	112.1
135	S	39.6	Very low	42.7	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	68%	0.675	S	S	*	*	S	Bend	trans	58.8	75.1	160.4	-177.3	0	0	0	0	117	F133 R137	F133-S135 PolarHBondContact O-N 2.94Å; S135-R137 VanDerWaalsContact C-N 3.3Å; S135-R137 PolarHBondContact O-N 3.21Å
136	G	41	Very low	43.3	Very low	84 Å²	84	130.3 Å²	130.3	87%	0.866	68%	0.682	S	S	*	*				53.1	23.8	113.9	0	0	0	0	0	120.8
137	R	46.2	Very low	44.6	Very low	226 Å²	226	130 Å²	130	85%	0.853	67%	0.671	S	S	*	*			trans	-96.4	111.5	170.2	-79.9	-174.7	-162.3	172.4	7.4	110.8	S135	S135-R137 VanDerWaalsContact C-N 3.3Å; S135-R137 PolarHBondContact O-N 3.21Å
138	R	47.3	Very low	45.4	Very low	214 Å²	214	128.5 Å²	128.5	81%	0.808	66%	0.661	S	S	*	*			trans	-69.7	130	161.3	-70.6	-175	169.7	-143	-1.4	108.1
139	I	50.3	Low	46.7	Very low	82 Å²	82	129.6 Å²	129.6	42%	0.421	65%	0.651	S	S	.	*			trans	-98	101.6	172.8	-61.3	174.8	0	0	0	105.5	Q144 L145	I139-Q144 HydrophobicContact CG2-CB 3.83Å; I139-L145 HydrophobicContact CD1-CD1 4.22Å; I139-L145 HydrophobicContact CG2-CB 4.22Å; I139-L145 HydrophobicContact CG2-CD1 4.36Å
140	D	50.4	Low	47.7	Very low	125 Å²	125	126.9 Å²	126.9	67%	0.668	64%	0.642	S	S	*	*			trans	-94.4	-6.5	-172.1	-59.5	-44.5	0	0	0	112.2
141	T	49.6	Very low	48.8	Very low	75 Å²	75	123.6 Å²	123.6	46%	0.46	63%	0.629	S	S	.	*	S	Bend	trans	-145.1	141.3	-172.6	-37.9	0	0	0	0	112.8	Q143 Q144 L145	T141-Q143 PolarHBondContact O-N 2.91Å; T141-Q143 VanDerWaalsContact O-N 3.17Å; T141-Q144 WeakPolarHBondContact O-CB 3.3Å; T141-Q144 PolarHBondContact O-N 3.46Å; T141-L145 PolarHBondContact O-N 3.38Å
142	W	48.7	Very low	49.5	Very low	135 Å²	135	119 Å²	119	51%	0.511	61%	0.609	S	S	.	*	H	α-helix	trans	-53.5	-33.4	178.8	-84.4	107.7	0	0	0	114.3	R49 L145 L146	R49-W142 HydrophobicContact CB-CH2 4.32Å; W142-L145 HydrophobicContact CE3-CD2 3.97Å; W142-L145 HydrophobicContact CZ3-CD2 3.84Å; W142-L145 WeakPolarHBondContact O-CB 3.35Å; W142-L145 PolarHBondContact O-N 3.48Å; W142-L146 PolarHBondContact O-N 3.46Å
143	Q	48.2	Very low	50.1	Low	143 Å²	143	115.9 Å²	115.9	67%	0.668	60%	0.599	S	S	*	*	H	α-helix	trans	-64.7	-38.8	176.3	-79	157.5	-32.5	0	0	112.3	T141 L145 L146 D147	T141-Q143 PolarHBondContact O-N 2.91Å; T141-Q143 VanDerWaalsContact O-N 3.17Å; Q143-L145 VanDerWaalsContact C-N 3.28Å; Q143-L145 PolarHBondContact O-N 3.1Å; Q143-L146 PolarHBondContact O-N 3.49Å; Q143-D147 PolarHBondContact O-N 2.97Å
144	Q	53.4	Low	50.5	Low	97 Å²	97	118.1 Å²	118.1	45%	0.453	60%	0.603	S	S	.	*	H	α-helix	trans	-66.1	-32.2	175	-79.4	-179.9	-26.1	0	0	112.3	I139 T141 Y148	I139-Q144 HydrophobicContact CG2-CB 3.83Å; T141-Q144 WeakPolarHBondContact O-CB 3.3Å; T141-Q144 PolarHBondContact O-N 3.46Å; Q144-Y148 VanDerWaalsContact O-CB 3.29Å; Q144-Y148 WeakPolarHBondContact O-CB 3.3Å; Q144-Y148 PolarHBondContact O-N 3.05Å
145	L	53.5	Low	51.2	Low	30 Å²	30	119.8 Å²	119.8	16%	0.157	60%	0.598	C	S	.	*	H	α-helix	trans	-70	-42.5	176	-166	81.5	0	0	0	111.2	I46 I139 T141 W142 Q143 Y148 I149	I46-L145 HydrophobicContact CD1-CD2 4.27Å; I46-L145 HydrophobicContact CG1-CD2 4.19Å; I139-L145 HydrophobicContact CD1-CD1 4.22Å; I139-L145 HydrophobicContact CG2-CB 4.22Å; I139-L145 HydrophobicContact CG2-CD1 4.36Å; T141-L145 PolarHBondContact O-N 3.38Å; W142-L145 HydrophobicContact CE3-CD2 3.97Å; W142-L145 HydrophobicContact CZ3-CD2 3.84Å; W142-L145 WeakPolarHBondContact O-CB 3.35Å; W142-L145 PolarHBondContact O-N 3.48Å; Q143-L145 VanDerWaalsContact C-N 3.28Å; Q143-L145 PolarHBondContact O-N 3.1Å; L145-Y148 PolarHBondContact O-N 3.1Å; L145-I149 HydrophobicContact CG-CD1 4.34Å; L145-I149 VanDerWaalsContact O-CG1 3.32Å; L145-I149 WeakPolarHBondContact O-CG1 3.47Å; L145-I149 PolarHBondContact O-N 3.13Å; L145-I149 VanDerWaalsContact O-N 3.12Å
146	L	55	Low	51.3	Low	109 Å²	109	127 Å²	127	57%	0.571	62%	0.616	S	S	*	*	H	α-helix	trans	-65.4	-45.3	177	-77.2	167.6	0	0	0	111.6	W142 Q143 Y148 I149 N150	W142-L146 PolarHBondContact O-N 3.46Å; Q143-L146 PolarHBondContact O-N 3.49Å; L146-Y148 VanDerWaalsContact C-N 3.31Å; L146-Y148 PolarHBondContact O-N 2.98Å; L146-I149 PolarHBondContact O-N 2.84Å; L146-N150 WeakPolarHBondContact O-CB 3.34Å; L146-N150 PolarHBondContact O-N 3.4Å
147	D	60.8	Low	51.8	Low	109 Å²	109	129.2 Å²	129.2	58%	0.583	60%	0.604	S	S	*	*	H	α-helix	trans	-61	-40.9	175.5	-80.6	-17.9	0	0	0	111.5	Q143 I149 N150 E151	Q143-D147 PolarHBondContact O-N 2.97Å; D147-I149 PolarHBondContact O-N 3.46Å; D147-N150 PolarHBondContact O-N 3.13Å; D147-E151 WeakPolarHBondContact O-CB 3.37Å; D147-E151 PolarHBondContact O-N 3.41Å
148	Y	58.1	Low	52.1	Low	135 Å²	135	124.1 Å²	124.1	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-63.4	-39.4	178	-175.7	-98.2	0	0	0	113.1	Q144 L145 L146 S152	Q144-Y148 VanDerWaalsContact O-CB 3.29Å; Q144-Y148 WeakPolarHBondContact O-CB 3.3Å; Q144-Y148 PolarHBondContact O-N 3.05Å; L145-Y148 PolarHBondContact O-N 3.1Å; L146-Y148 VanDerWaalsContact C-N 3.31Å; L146-Y148 PolarHBondContact O-N 2.98Å; Y148-S152 WeakPolarHBondContact O-CB 3.22Å; Y148-S152 PolarHBondContact O-N 2.97Å; Y148-S152 VanDerWaalsContact O-N 3.15Å
149	I	59.6	Low	52.4	Low	91 Å²	91	119.1 Å²	119.1	47%	0.467	58%	0.579	S	S	.	*	H	α-helix	trans	-68.7	-41	177.4	-67.5	166.1	0	0	0	110.3	L145 L146 D147 S152 D153	L145-I149 HydrophobicContact CG-CD1 4.34Å; L145-I149 VanDerWaalsContact O-CG1 3.32Å; L145-I149 WeakPolarHBondContact O-CG1 3.47Å; L145-I149 PolarHBondContact O-N 3.13Å; L145-I149 VanDerWaalsContact O-N 3.12Å; L146-I149 PolarHBondContact O-N 2.84Å; D147-I149 PolarHBondContact O-N 3.46Å; I149-S152 PolarHBondContact O-N 2.91Å; I149-D153 PolarHBondContact O-N 3.27Å
150	N	58.8	Low	52.5	Low	116 Å²	116	121.2 Å²	121.2	62%	0.62	59%	0.588	S	S	*	*	H	α-helix	trans	-69.4	-36.2	-179.8	-133.4	4.8	0	0	0	112.3	L146 D147	L146-N150 WeakPolarHBondContact O-CB 3.34Å; L146-N150 PolarHBondContact O-N 3.4Å; D147-N150 PolarHBondContact O-N 3.13Å
151	E	55.4	Low	52.7	Low	124 Å²	124	121 Å²	121	58%	0.579	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-41.2	175.7	-158.9	73.6	-163.9	0	0	111.2	D147 D153 R154	D147-E151 WeakPolarHBondContact O-CB 3.37Å; D147-E151 PolarHBondContact O-N 3.41Å; E151-D153 PolarHBondContact O-N 2.78Å; E151-R154 PolarHBondContact O-N 3.4Å; E151-R154 VanDerWaalsContact O-N 3.15Å
152	S	51.8	Low	52.9	Low	61 Å²	61	124.1 Å²	124.1	43%	0.427	59%	0.591	S	S	.	*	H	α-helix	trans	-69.1	-22.4	-177.3	-159.6	0	0	0	0	113.2	Y148 I149 T155	Y148-S152 WeakPolarHBondContact O-CB 3.22Å; Y148-S152 PolarHBondContact O-N 2.97Å; Y148-S152 VanDerWaalsContact O-N 3.15Å; I149-S152 PolarHBondContact O-N 2.91Å; S152-T155 PolarHBondContact O-OG1 3.28Å
153	D	48.1	Very low	53.2	Low	133 Å²	133	123.3 Å²	123.3	71%	0.711	60%	0.597	S	S	*	*	H	α-helix	trans	-80.9	-17.4	175.9	-147.7	52.3	0	0	0	112.6	I149 E151	I149-D153 PolarHBondContact O-N 3.27Å; E151-D153 PolarHBondContact O-N 2.78Å
154	R	48.7	Very low	53.6	Low	212 Å²	212	121.8 Å²	121.8	80%	0.8	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.5	175.6	-81.4	-176.7	159.2	173.9	-4.1	114.8	E151	E151-R154 PolarHBondContact O-N 3.4Å; E151-R154 VanDerWaalsContact O-N 3.15Å
155	T	49.9	Very low	53.6	Low	110 Å²	110	123.8 Å²	123.8	68%	0.675	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	20.3	-173	50.5	0	0	0	0	114.9	S152	S152-T155 PolarHBondContact O-OG1 3.28Å
156	K	43.1	Very low	53.6	Low	256 Å²	256	132.4 Å²	132.4	100%	1.113	64%	0.643	S	S	*	*			trans	-128.6	0	172.7	-89	-174.1	174.8	-178	0	111.3

Retrieved 156 of 156 residues in 60.3 ms (Link to these results)

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