A0A5K4F971_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F971, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 aa.

						>A0A5K4F971_SCHMA|A0A5K4F971
MKLSRSCIASANDIRHPTGVNFGSSTGEYIGLTQRLVNHVPLHKSRNINSGTGLIHIYDEVSQKRDLSYGNHIPDKAVSNKNIVYTNIPQNIHRKFKFLSLDLLRVTSVLGYHLVC
					

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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	46.7	Very low	64.2	Low	242 Å²	242	136 Å²	136	100%	1.192	76%	0.757	S	S	*	*				0	124.3	0	-172.5	177.5	-87.3	0	0	107.8
2	K	62.5	Low	64.3	Low	210 Å²	210	137.5 Å²	137.5	91%	0.913	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-97.7	124.7	179.2	-83.3	179.5	175.7	174.6	0	108.9
3	L	60.9	Low	62.9	Low	153 Å²	153	133.9 Å²	133.9	80%	0.801	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-76.2	121.8	170.1	-71.4	166.3	0	0	0	108.6
4	S	65	Low	62.1	Low	54 Å²	54	134 Å²	134	38%	0.378	74%	0.738	S	S	.	*	P	Polyproline II helix	trans	-91.8	152.4	170.6	67.5	0	0	0	0	110.1	S6 C7	S4-S6 PolarHBondContact O-N 3.07Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S4-S6 PolarHBondContact OG-OG 3.47Å; S4-C7 WeakPolarHBondContact O-CB 3.32Å; S4-C7 PolarHBondContact O-N 3.37Å; S4-C7 PolarHBondContact OG-SG 3.01Å
5	R	63.3	Low	60.5	Low	238 Å²	238	138.2 Å²	138.2	90%	0.898	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-57.8	-29.8	-178.8	-71.9	-175	176.1	-175.8	-1.2	113.3	C7	R5-C7 PolarHBondContact O-N 2.71Å
6	S	72.4	Confident	60	Low	113 Å²	113	139.7 Å²	139.7	79%	0.79	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-71.8	-11.7	177.2	53	0	0	0	0	114.2	S4	S4-S6 PolarHBondContact O-N 3.07Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S4-S6 PolarHBondContact OG-OG 3.47Å
7	C	63.7	Low	59.2	Low	87 Å²	87	138.4 Å²	138.4	59%	0.588	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-98.7	-2.7	-180	-63.3	0	0	0	0	113.8	S4 R5 A9	S4-C7 WeakPolarHBondContact O-CB 3.32Å; S4-C7 PolarHBondContact O-N 3.37Å; S4-C7 PolarHBondContact OG-SG 3.01Å; R5-C7 PolarHBondContact O-N 2.71Å; C7-A9 PolarHBondContact O-N 3.12Å; C7-A9 VanDerWaalsContact O-N 3.16Å
8	I	67.5	Low	58.6	Low	129 Å²	129	134.6 Å²	134.6	66%	0.662	72%	0.723	S	S	*	*			trans	-84.9	89.1	175.6	-54.7	176.3	0	0	0	107.5
9	A	66.6	Low	58.3	Low	84 Å²	84	130.3 Å²	130.3	69%	0.694	71%	0.713	S	S	*	*			trans	-69.8	161.3	173.2	0	0	0	0	0	111	C7 A11	C7-A9 PolarHBondContact O-N 3.12Å; C7-A9 VanDerWaalsContact O-N 3.16Å; A9-A11 PolarHBondContact O-N 3.35Å
10	S	70.9	Confident	58.4	Low	99 Å²	99	126.9 Å²	126.9	69%	0.692	70%	0.697	S	S	*	*			trans	-53.3	134.1	172	-177	0	0	0	0	110.5	N12	S10-N12 PolarHBondContact O-N 2.75Å; S10-N12 VanDerWaalsContact O-N 3.15Å; S10-N12 PolarHBondContact O-OD1 3.12Å
11	A	67	Low	58.3	Low	87 Å²	87	126 Å²	126	72%	0.719	69%	0.691	S	S	*	*			trans	-69.3	111.1	174.8	0	0	0	0	0	108.8	A9	A9-A11 PolarHBondContact O-N 3.35Å
12	N	65.3	Low	58.9	Low	154 Å²	154	119.7 Å²	119.7	82%	0.824	66%	0.657	S	S	*	*			trans	-93.7	-5.2	178	-66.8	-12.8	0	0	0	112.7	S10	S10-N12 PolarHBondContact O-N 2.75Å; S10-N12 VanDerWaalsContact O-N 3.15Å; S10-N12 PolarHBondContact O-OD1 3.12Å
13	D	46	Very low	59	Low	91 Å²	91	110.3 Å²	110.3	49%	0.487	62%	0.62	S	S	.	*			trans	-125.8	113.3	-175.1	178.9	25.6	0	0	0	109	R15	D13-R15 IonicContact OD2-CZ 3.24Å; D13-R15 VanDerWaalsContact OD2-CZ 3.24Å; D13-R15 IonicContact OD2-NE 2.78Å; D13-R15 PolarHBondContact OD2-NE 3.34Å; D13-R15 IonicContact OD2-NH2 2.94Å; D13-R15 PolarHBondContact OD2-NH2 3.11Å
14	I	51.4	Low	58.7	Low	135 Å²	135	108.2 Å²	108.2	69%	0.692	62%	0.618	S	S	*	*			trans	-97.2	106.9	178.4	-60	174.3	0	0	0	107.3
15	R	37.7	Very low	58.1	Low	197 Å²	197	111 Å²	111	74%	0.743	64%	0.638	S	S	*	*			trans	-99.9	129.8	170.4	-73.3	177.6	-112.3	178.4	-3	109.2	D13 P17	D13-R15 IonicContact OD2-CZ 3.24Å; D13-R15 VanDerWaalsContact OD2-CZ 3.24Å; D13-R15 IonicContact OD2-NE 2.78Å; D13-R15 PolarHBondContact OD2-NE 3.34Å; D13-R15 IonicContact OD2-NH2 2.94Å; D13-R15 PolarHBondContact OD2-NH2 3.11Å; R15-P17 WeakPolarHBondContact O-CD 3.49Å
16	H	53.3	Low	57.7	Low	162 Å²	162	103.4 Å²	103.4	75%	0.75	62%	0.618	S	S	*	*			trans	-94.8	88.8	168.7	-66.9	98.6	0	0	0	108	T18	H16-T18 PolarHBondContact O-N 3.37Å
17	P	46.9	Very low	56.9	Low	118 Å²	118	100.2 Å²	100.2	77%	0.766	60%	0.603	S	S	*	*	S	Bend	trans	-64.2	-26.9	-171.3	26	-35.8	0	0	0	112.6	R15	R15-P17 WeakPolarHBondContact O-CD 3.49Å
18	T	48.6	Very low	56.4	Low	70 Å²	70	97.4 Å²	97.4	43%	0.429	58%	0.581	S	S	.	*			trans	-161.3	131.7	171.9	36.2	0	0	0	0	110.2	H16 T33	H16-T18 PolarHBondContact O-N 3.37Å; T18-T33 HydrophobicContact CG2-CG2 3.22Å
19	G	52.8	Low	55.9	Low	52 Å²	52	96.4 Å²	96.4	54%	0.536	57%	0.57	S	S	.	*			trans	-94	114.6	168.3	0	0	0	0	0	109.5	G31	G19-G31 WeakPolarHBondContact O-CA 3.38Å
20	V	58.9	Low	55.5	Low	62 Å²	62	94.1 Å²	94.1	38%	0.376	55%	0.545	S	S	.	.			trans	-101.7	122.7	171.7	-177.6	0	0	0	0	108.1	Y29 I30 L32	V20-Y29 HydrophobicContact CG1-CD1 4.11Å; V20-I30 CarbonylContact C-O 3.09Å; V20-I30 VanDerWaalsContact CA-O 3.26Å; V20-I30 WeakPolarHBondContact CA-O 3.32Å; V20-L32 HydrophobicContact CG1-CD2 3.72Å; V20-L32 HydrophobicContact CG1-CG 4.27Å; V20-L32 HydrophobicContact CG2-CD2 4.05Å
21	N	57.4	Low	54.9	Low	108 Å²	108	90.1 Å²	90.1	58%	0.578	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.4	177.8	-69	-51.4	0	0	0	110	Y29 I30	N21-Y29 CarbonylContact O-C 3.56Å; N21-Y29 WeakPolarHBondContact O-CA 3.32Å; N21-I30 HydrophobicContact CB-CB 4.32Å; N21-I30 PolarHBondContact N-O 2.91Å; N21-I30 PolarHBondContact O-N 2.96Å
22	F	59.8	Low	54.4	Low	110 Å²	110	86.8 Å²	86.8	48%	0.482	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.9	172.1	-179.5	-107.1	0	0	0	109.5	S24 G27 E28 Y29	F22-S24 PolarHBondContact O-N 3.18Å; F22-G27 WeakPolarHBondContact CE2-O 3.41Å; F22-E28 WeakPolarHBondContact CA-O 3.45Å; F22-Y29 HydrophobicContact CB-CD1 4.2Å; F22-Y29 HydrophobicContact CB-CE1 4.06Å; F22-Y29 AromaticContact CD2-CD1 3.96Å; F22-Y29 HydrophobicContact CD2-CD1 3.96Å; F22-Y29 HydrophobicContact CD2-CD2 4.06Å; F22-Y29 AromaticContact CD2-CE1 3.76Å; F22-Y29 HydrophobicContact CD2-CE1 3.76Å; F22-Y29 AromaticContact CD2-CE2 3.86Å; F22-Y29 HydrophobicContact CD2-CE2 3.86Å; F22-Y29 HydrophobicContact CD2-CG 4.12Å; F22-Y29 AromaticContact CD2-CZ 3.71Å; F22-Y29 HydrophobicContact CE2-CD2 4.41Å; F22-Y29 HydrophobicContact CE2-CE2 4.04Å; F22-Y29 HydrophobicContact CG-CE1 4.25Å
23	G	63.9	Low	53.9	Low	13 Å²	13	81.9 Å²	81.9	13%	0.134	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	94.9	173.5	0	0	0	0	0	109.5	S25 T26 G27 E28	G23-S25 PolarHBondContact O-N 3.23Å; G23-S25 VanDerWaalsContact O-N 3.11Å; G23-T26 CarbonylContact O-C 3.57Å; G23-T26 PolarHBondContact O-N 2.75Å; G23-T26 PolarHBondContact O-OG1 3.11Å; G23-G27 WeakPolarHBondContact O-CA 3.43Å; G23-G27 PolarHBondContact O-N 3.06Å; G23-E28 PolarHBondContact N-O 3.18Å
24	S	54	Low	54.1	Low	109 Å²	109	84 Å²	84	76%	0.762	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.1	-179.9	61.7	0	0	0	0	113.6	F22	F22-S24 PolarHBondContact O-N 3.18Å
25	S	53.6	Low	54.4	Low	114 Å²	114	87.6 Å²	87.6	80%	0.797	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-25.6	174.3	56.2	0	0	0	0	113.7	G23	G23-S25 PolarHBondContact O-N 3.23Å; G23-S25 VanDerWaalsContact O-N 3.11Å
26	T	53.2	Low	55.2	Low	78 Å²	78	81.9 Å²	81.9	48%	0.479	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-17.4	-177	57.7	0	0	0	0	112.6	G23 E28	G23-T26 CarbonylContact O-C 3.57Å; G23-T26 PolarHBondContact O-N 2.75Å; G23-T26 PolarHBondContact O-OG1 3.11Å; T26-E28 PolarHBondContact O-N 3.46Å; T26-E28 PolarHBondContact OG1-N 3.24Å
27	G	56.3	Low	55.2	Low	45 Å²	45	75.6 Å²	75.6	46%	0.464	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	11.2	-170.6	0	0	0	0	0	113.5	F22 G23	F22-G27 WeakPolarHBondContact CE2-O 3.41Å; G23-G27 WeakPolarHBondContact O-CA 3.43Å; G23-G27 PolarHBondContact O-N 3.06Å
28	E	53.1	Low	55.3	Low	28 Å²	28	76.1 Å²	76.1	13%	0.131	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.1	-169.8	-63.6	-178.4	143.8	0	0	112.9	F22 G23 T26 H56 I57	F22-E28 WeakPolarHBondContact CA-O 3.45Å; G23-E28 PolarHBondContact N-O 3.18Å; T26-E28 PolarHBondContact O-N 3.46Å; T26-E28 PolarHBondContact OG1-N 3.24Å; E28-H56 WeakPolarHBondContact OE1-CA 3.15Å; E28-H56 IonicContact OE1-CG 3.95Å; E28-H56 IonicContact OE2-CD2 3.91Å; E28-H56 IonicContact OE2-NE2 3.24Å; E28-I57 PolarHBondContact OE1-N 2.97Å
29	Y	57	Low	55.3	Low	109 Å²	109	80.1 Å²	80.1	43%	0.427	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.4	165.4	-71.5	-83.2	0	0	0	110.6	V20 N21 F22	V20-Y29 HydrophobicContact CG1-CD1 4.11Å; N21-Y29 CarbonylContact O-C 3.56Å; N21-Y29 WeakPolarHBondContact O-CA 3.32Å; F22-Y29 HydrophobicContact CB-CD1 4.2Å; F22-Y29 HydrophobicContact CB-CE1 4.06Å; F22-Y29 AromaticContact CD2-CD1 3.96Å; F22-Y29 HydrophobicContact CD2-CD1 3.96Å; F22-Y29 HydrophobicContact CD2-CD2 4.06Å; F22-Y29 AromaticContact CD2-CE1 3.76Å; F22-Y29 HydrophobicContact CD2-CE1 3.76Å; F22-Y29 AromaticContact CD2-CE2 3.86Å; F22-Y29 HydrophobicContact CD2-CE2 3.86Å; F22-Y29 HydrophobicContact CD2-CG 4.12Å; F22-Y29 AromaticContact CD2-CZ 3.71Å; F22-Y29 HydrophobicContact CE2-CD2 4.41Å; F22-Y29 HydrophobicContact CE2-CE2 4.04Å; F22-Y29 HydrophobicContact CG-CE1 4.25Å
30	I	58.8	Low	55	Low	36 Å²	36	80.2 Å²	80.2	19%	0.185	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.9	-172.6	-65.1	177.5	0	0	0	108.4	V20 N21 L54	V20-I30 CarbonylContact C-O 3.09Å; V20-I30 VanDerWaalsContact CA-O 3.26Å; V20-I30 WeakPolarHBondContact CA-O 3.32Å; N21-I30 HydrophobicContact CB-CB 4.32Å; N21-I30 PolarHBondContact N-O 2.91Å; N21-I30 PolarHBondContact O-N 2.96Å; I30-L54 HydrophobicContact CB-CD2 4.49Å; I30-L54 HydrophobicContact CG2-CB 3.81Å; I30-L54 HydrophobicContact CG2-CD1 3.7Å; I30-L54 HydrophobicContact CG2-CD2 3.01Å; I30-L54 HydrophobicContact CG2-CG 3.6Å
31	G	57	Low	54.2	Low	14 Å²	14	83.2 Å²	83.2	14%	0.144	45%	0.454	C	S	.	.	S	Bend	trans	86.8	15.1	178.7	0	0	0	0	0	115.3	G19 T33 G53	G19-G31 WeakPolarHBondContact O-CA 3.38Å; G31-T33 PolarHBondContact O-N 2.93Å; G31-G53 WeakPolarHBondContact CA-O 2.74Å
32	L	57	Low	53.2	Low	17 Å²	17	83.4 Å²	83.4	9%	0.089	46%	0.455	C	S	.	.			trans	-64.4	132.3	171.9	-69.4	174.2	0	0	0	110.6	V20 L36 V37 I55	V20-L32 HydrophobicContact CG1-CD2 3.72Å; V20-L32 HydrophobicContact CG1-CG 4.27Å; V20-L32 HydrophobicContact CG2-CD2 4.05Å; L32-L36 HydrophobicContact CB-CB 4.49Å; L32-L36 HydrophobicContact CD2-CB 4.1Å; L32-L36 HydrophobicContact CD2-CD1 4.4Å; L32-V37 HydrophobicContact CB-CG2 3.82Å; L32-V37 HydrophobicContact CD1-CG2 4.44Å; L32-I55 WeakPolarHBondContact O-CD1 3.12Å
33	T	54.2	Low	52	Low	51 Å²	51	84.5 Å²	84.5	31%	0.313	46%	0.461	S	S	.	.			trans	-65.5	153.5	168.1	62.5	0	0	0	0	110.2	T18 G31 R35 L36 V37	T18-T33 HydrophobicContact CG2-CG2 3.22Å; G31-T33 PolarHBondContact O-N 2.93Å; T33-R35 PolarHBondContact O-N 3.22Å; T33-L36 PolarHBondContact O-N 2.75Å; T33-L36 WeakPolarHBondContact OG1-CD1 3.47Å; T33-L36 WeakPolarHBondContact OG1-CG 3.3Å; T33-V37 PolarHBondContact O-N 3.49Å; T33-V37 VanDerWaalsContact O-N 3.1Å
34	Q	52.1	Low	51	Low	136 Å²	136	86.5 Å²	86.5	64%	0.636	47%	0.466	S	S	*	.	H	α-helix	trans	-58.5	-25	179.7	-165.5	158.3	-1.3	0	0	113.6	N47	Q34-N47 PolarHBondContact OE1-ND2 3.02Å
35	R	56.8	Low	50.3	Low	211 Å²	211	81.9 Å²	81.9	80%	0.796	43%	0.434	S	S	*	.	H	α-helix	trans	-70	-39.6	170.7	-86.9	-176.8	171.8	176	-2.4	112.7	T33 H39	T33-R35 PolarHBondContact O-N 3.22Å; R35-H39 PolarHBondContact O-CD2 2.83Å; R35-H39 VanDerWaalsContact O-CD2 3.26Å
36	L	54.4	Low	49.6	Very low	77 Å²	77	82.3 Å²	82.3	40%	0.403	42%	0.418	S	S	.	.	H	α-helix	trans	-75.2	-33.5	-177	-69.4	168.8	0	0	0	112.1	L32 T33 N38 H39 V40	L32-L36 HydrophobicContact CB-CB 4.49Å; L32-L36 HydrophobicContact CD2-CB 4.1Å; L32-L36 HydrophobicContact CD2-CD1 4.4Å; T33-L36 PolarHBondContact O-N 2.75Å; T33-L36 WeakPolarHBondContact OG1-CD1 3.47Å; T33-L36 WeakPolarHBondContact OG1-CG 3.3Å; L36-N38 PolarHBondContact O-N 3.41Å; L36-N38 VanDerWaalsContact O-N 3.13Å; L36-H39 PolarHBondContact O-N 3.36Å; L36-V40 WeakPolarHBondContact O-CG2 3.29Å; L36-V40 PolarHBondContact O-N 3.16Å
37	V	53.2	Low	48.9	Very low	29 Å²	29	81.7 Å²	81.7	18%	0.176	41%	0.411	C	S	.	.	H	α-helix	trans	-52.8	-34.5	175.5	167.7	0	0	0	0	112.4	L32 T33 S45 I55	L32-V37 HydrophobicContact CB-CG2 3.82Å; L32-V37 HydrophobicContact CD1-CG2 4.44Å; T33-V37 PolarHBondContact O-N 3.49Å; T33-V37 VanDerWaalsContact O-N 3.1Å; V37-S45 WeakPolarHBondContact CG1-OG 2.83Å; V37-I55 HydrophobicContact CG2-CD1 3.87Å; V37-I55 HydrophobicContact CG2-CG2 4.24Å
38	N	49.1	Very low	48	Very low	130 Å²	130	82.6 Å²	82.6	70%	0.695	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.4	-177.2	-65.4	-14.4	0	0	0	114.3	L36	L36-N38 PolarHBondContact O-N 3.41Å; L36-N38 VanDerWaalsContact O-N 3.13Å
39	H	49.3	Very low	47.2	Very low	154 Å²	154	88.8 Å²	88.8	71%	0.713	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-6.9	-173.4	-72.1	-60.6	0	0	0	114.4	R35 L36 P41	R35-H39 PolarHBondContact O-CD2 2.83Å; R35-H39 VanDerWaalsContact O-CD2 3.26Å; L36-H39 PolarHBondContact O-N 3.36Å; H39-P41 VanDerWaalsContact O-CD 3.29Å; H39-P41 WeakPolarHBondContact O-CD 2.66Å
40	V	46.2	Very low	46	Very low	54 Å²	54	85.7 Å²	85.7	33%	0.327	43%	0.434	S	S	.	.			trans	-78.5	115.6	173.1	178.5	0	0	0	0	108.3	L36 L42	L36-V40 WeakPolarHBondContact O-CG2 3.29Å; L36-V40 PolarHBondContact O-N 3.16Å; V40-L42 HydrophobicContact CG1-CB 4.37Å; V40-L42 PolarHBondContact O-N 2.53Å
41	P	41.9	Very low	44.8	Very low	124 Å²	124	88.5 Å²	88.5	81%	0.805	47%	0.471	S	S	*	.			trans	-72.6	8.8	-174	-14.8	30	0	0	0	114.7	H39	H39-P41 VanDerWaalsContact O-CD 3.29Å; H39-P41 WeakPolarHBondContact O-CD 2.66Å
42	L	36.5	Very low	43.5	Very low	113 Å²	113	92.8 Å²	92.8	59%	0.592	50%	0.495	S	S	*	.	S	Bend	trans	-137.1	114.4	-162.6	-68.8	170.5	0	0	0	108	V40	V40-L42 HydrophobicContact CG1-CB 4.37Å; V40-L42 PolarHBondContact O-N 2.53Å
43	H	35.1	Very low	42.1	Very low	132 Å²	132	93.9 Å²	93.9	61%	0.611	51%	0.511	S	S	*	.	S	Bend	trans	48.6	90.4	157.7	-56.6	-85.8	0	0	0	114.5	S45 D59	H43-S45 PolarHBondContact O-N 3.39Å; H43-D59 IonicContact ND1-OD1 3.51Å; H43-D59 PolarHBondContact ND1-OD1 3.21Å
44	K	43.3	Very low	40.9	Very low	55 Å²	55	95.2 Å²	95.2	24%	0.239	52%	0.515	C	S	.	.				56.2	76.7	122.8	-83.2	178.5	173.1	-107.3	0	116.5	I57 Y58 D59 E60	K44-I57 VanDerWaalsContact CA-CB 3.41Å; K44-I57 VanDerWaalsContact CA-CD1 3.44Å; K44-I57 HydrophobicContact CB-CB 3.42Å; K44-I57 VanDerWaalsContact CB-CB 3.42Å; K44-I57 HydrophobicContact CB-CD1 4.29Å; K44-I57 HydrophobicContact CB-CG1 4.24Å; K44-I57 HydrophobicContact CB-CG2 3.67Å; K44-I57 HydrophobicContact CD-CG2 3.94Å; K44-I57 HydrophobicContact CG-CB 3.82Å; K44-I57 HydrophobicContact CG-CD1 4.27Å; K44-I57 HydrophobicContact CG-CG2 3.47Å; K44-I57 VanDerWaalsContact CG-CG2 3.47Å; K44-I57 WeakPolarHBondContact O-CA 2.99Å; K44-I57 WeakPolarHBondContact O-CB 3.26Å; K44-I57 PolarHBondContact O-N 3.25Å; K44-I57 VanDerWaalsContact O-N 3.16Å; K44-Y58 WeakPolarHBondContact CD-O 3.46Å; K44-Y58 VanDerWaalsContact CE-O 3.3Å; K44-Y58 WeakPolarHBondContact CE-O 3.15Å; K44-Y58 PolarHBondContact NZ-O 2.95Å; K44-D59 HydrophobicContact CD-CB 4.24Å; K44-D59 VanDerWaalsContact CD-OD1 3.32Å; K44-D59 WeakPolarHBondContact CD-OD1 3.42Å; K44-D59 VanDerWaalsContact CE-C 3.47Å; K44-E60 VanDerWaalsContact CE-CB 3.45Å; K44-E60 VanDerWaalsContact NZ-CA 3.27Å; K44-E60 VanDerWaalsContact NZ-CG 3.33Å
45	S	37.8	Very low	39.9	Very low	12 Å²	12	88.9 Å²	88.9	8%	0.084	49%	0.486	C	S	.	.			trans	-110.8	109.2	162.9	60.3	0	0	0	0	119	V37 H43 I55 I57	V37-S45 WeakPolarHBondContact CG1-OG 2.83Å; H43-S45 PolarHBondContact O-N 3.39Å; S45-I55 VanDerWaalsContact CB-CG2 3.45Å; S45-I55 WeakPolarHBondContact O-CG2 3.12Å; S45-I57 VanDerWaalsContact CA-CD1 3.48Å; S45-I57 WeakPolarHBondContact O-CD1 2.88Å; S45-I57 WeakPolarHBondContact O-CG1 3.48Å
46	R	38.7	Very low	38.6	Very low	124 Å²	124	82.7 Å²	82.7	47%	0.468	47%	0.466	S	S	.	.			trans	-86.4	134.5	-172.4	-101.1	170.5	-172.3	162.9	4.8	106.7	I48 I55 H56 I57	R46-I48 PolarHBondContact O-N 2.81Å; R46-I55 CarbonylContact O-C 3.5Å; R46-I55 WeakPolarHBondContact O-CA 3.45Å; R46-I55 WeakPolarHBondContact O-CB 3.31Å; R46-I55 WeakPolarHBondContact O-CG1 3.37Å; R46-I55 WeakPolarHBondContact O-CG2 2.96Å; R46-H56 WeakPolarHBondContact CA-O 3.04Å; R46-H56 VanDerWaalsContact CB-C 3.46Å; R46-H56 HydrophobicContact CB-CB 4.27Å; R46-H56 WeakPolarHBondContact CB-O 3.03Å; R46-H56 WeakPolarHBondContact CD-O 2.98Å; R46-H56 WeakPolarHBondContact CG-O 3.38Å; R46-H56 PolarHBondContact N-O 2.73Å; R46-H56 PolarHBondContact O-N 2.7Å; R46-I57 VanDerWaalsContact CA-CG1 3.44Å; R46-I57 HydrophobicContact CB-CG1 4.11Å; R46-I57 HydrophobicContact CG-CG1 4.16Å
47	N	39.4	Very low	37.6	Very low	64 Å²	64	81.8 Å²	81.8	34%	0.342	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-65.5	105.3	161.6	-157.3	-24.7	0	0	0	112.5	Q34 I55	Q34-N47 PolarHBondContact OE1-ND2 3.02Å; N47-I55 HydrophobicContact CB-CD1 3.93Å
48	I	37.5	Very low	36.4	Very low	65 Å²	65	86 Å²	86	33%	0.333	47%	0.474	S	S	.	.			trans	-93.9	108.4	166.5	-28	159.7	0	0	0	106.2	R46 S50 L54 H56	R46-I48 PolarHBondContact O-N 2.81Å; I48-S50 PolarHBondContact O-N 3.28Å; I48-L54 WeakPolarHBondContact CB-O 2.7Å; I48-L54 WeakPolarHBondContact CD1-O 3.42Å; I48-L54 WeakPolarHBondContact CG1-O 3.39Å; I48-L54 PolarHBondContact N-O 3.33Å; I48-H56 HydrophobicContact CD1-CB 3.99Å; I48-H56 HydrophobicContact CG1-CB 4.25Å
49	N	35.1	Very low	35.6	Very low	157 Å²	157	84.9 Å²	84.9	84%	0.84	47%	0.468	S	S	*	.			trans	-62.4	70.4	164.7	-76.5	-30.1	0	0	0	109.4
50	S	32.3	Very low	34.7	Very low	45 Å²	45	85.4 Å²	85.4	32%	0.315	47%	0.471	S	S	.	.			trans	-95.9	148.1	156.2	59.1	0	0	0	0	105.8	I48 T52 G53	I48-S50 PolarHBondContact O-N 3.28Å; S50-T52 WeakPolarHBondContact CB-OG1 3.33Å; S50-T52 PolarHBondContact O-N 3.1Å; S50-T52 PolarHBondContact OG-O 3.03Å; S50-T52 PolarHBondContact OG-OG1 3.13Å; S50-T52 VanDerWaalsContact OG-OG1 3.07Å; S50-G53 PolarHBondContact O-N 2.7Å
51	G	33.1	Very low	33.9	Very low	95 Å²	95	88.3 Å²	88.3	98%	0.979	49%	0.489	S	S	*	.	S	Bend	trans	-60	18.8	167.2	0	0	0	0	0	114.2
52	T	30.7	Very low	33.4	Very low	103 Å²	103	88 Å²	88	63%	0.632	49%	0.49	S	S	*	.	S	Bend	trans	-150.5	61.7	-175.7	53.8	0	0	0	0	107.3	S50 L54	S50-T52 WeakPolarHBondContact CB-OG1 3.33Å; S50-T52 PolarHBondContact O-N 3.1Å; S50-T52 PolarHBondContact OG-O 3.03Å; S50-T52 PolarHBondContact OG-OG1 3.13Å; S50-T52 VanDerWaalsContact OG-OG1 3.07Å; T52-L54 VanDerWaalsContact O-CG 3.31Å; T52-L54 WeakPolarHBondContact O-CG 3.36Å; T52-L54 PolarHBondContact O-N 2.82Å
53	G	26.6	Very low	33.1	Very low	41 Å²	41	91 Å²	91	42%	0.423	50%	0.501	S	S	.	.			trans	-43.8	80.6	-164.9	0	0	0	0	0	118.5	G31 S50	G31-G53 WeakPolarHBondContact CA-O 2.74Å; S50-G53 PolarHBondContact O-N 2.7Å
54	L	29.1	Very low	32.8	Very low	79 Å²	79	94.5 Å²	94.5	41%	0.414	51%	0.514	S	S	.	.			trans	-102.3	149.6	168.5	-49.8	-164.5	0	0	0	109.1	I30 I48 T52	I30-L54 HydrophobicContact CB-CD2 4.49Å; I30-L54 HydrophobicContact CG2-CB 3.81Å; I30-L54 HydrophobicContact CG2-CD1 3.7Å; I30-L54 HydrophobicContact CG2-CD2 3.01Å; I30-L54 HydrophobicContact CG2-CG 3.6Å; I48-L54 WeakPolarHBondContact CB-O 2.7Å; I48-L54 WeakPolarHBondContact CD1-O 3.42Å; I48-L54 WeakPolarHBondContact CG1-O 3.39Å; I48-L54 PolarHBondContact N-O 3.33Å; T52-L54 VanDerWaalsContact O-CG 3.31Å; T52-L54 WeakPolarHBondContact O-CG 3.36Å; T52-L54 PolarHBondContact O-N 2.82Å
55	I	31.7	Very low	32.2	Very low	3 Å²	3	103.2 Å²	103.2	2%	0.015	55%	0.545	C	S	.	.	B	Isolated β-bridge	trans	-135.4	114	-158.9	-74	-157.1	0	0	0	111.1	L32 V37 S45 R46 N47	L32-I55 WeakPolarHBondContact O-CD1 3.12Å; V37-I55 HydrophobicContact CG2-CD1 3.87Å; V37-I55 HydrophobicContact CG2-CG2 4.24Å; S45-I55 VanDerWaalsContact CB-CG2 3.45Å; S45-I55 WeakPolarHBondContact O-CG2 3.12Å; R46-I55 CarbonylContact O-C 3.5Å; R46-I55 WeakPolarHBondContact O-CA 3.45Å; R46-I55 WeakPolarHBondContact O-CB 3.31Å; R46-I55 WeakPolarHBondContact O-CG1 3.37Å; R46-I55 WeakPolarHBondContact O-CG2 2.96Å; N47-I55 HydrophobicContact CB-CD1 3.93Å
56	H	30.6	Very low	31.6	Very low	81 Å²	81	109.5 Å²	109.5	38%	0.375	58%	0.578	S	S	.	*			trans	-109.1	112.7	-170.6	-101.7	-141.2	0	0	0	114.4	E28 R46 I48	E28-H56 WeakPolarHBondContact OE1-CA 3.15Å; E28-H56 IonicContact OE1-CG 3.95Å; E28-H56 IonicContact OE2-CD2 3.91Å; E28-H56 IonicContact OE2-NE2 3.24Å; R46-H56 WeakPolarHBondContact CA-O 3.04Å; R46-H56 VanDerWaalsContact CB-C 3.46Å; R46-H56 HydrophobicContact CB-CB 4.27Å; R46-H56 WeakPolarHBondContact CB-O 3.03Å; R46-H56 WeakPolarHBondContact CD-O 2.98Å; R46-H56 WeakPolarHBondContact CG-O 3.38Å; R46-H56 PolarHBondContact N-O 2.73Å; R46-H56 PolarHBondContact O-N 2.7Å; I48-H56 HydrophobicContact CD1-CB 3.99Å; I48-H56 HydrophobicContact CG1-CB 4.25Å
57	I	31.8	Very low	31.2	Very low	57 Å²	57	112 Å²	112	29%	0.292	60%	0.6	S	S	.	*			trans	-123	142.3	162.2	-36	171.7	0	0	0	114.5	E28 K44 S45 R46	E28-I57 PolarHBondContact OE1-N 2.97Å; K44-I57 VanDerWaalsContact CA-CB 3.41Å; K44-I57 VanDerWaalsContact CA-CD1 3.44Å; K44-I57 HydrophobicContact CB-CB 3.42Å; K44-I57 VanDerWaalsContact CB-CB 3.42Å; K44-I57 HydrophobicContact CB-CD1 4.29Å; K44-I57 HydrophobicContact CB-CG1 4.24Å; K44-I57 HydrophobicContact CB-CG2 3.67Å; K44-I57 HydrophobicContact CD-CG2 3.94Å; K44-I57 HydrophobicContact CG-CB 3.82Å; K44-I57 HydrophobicContact CG-CD1 4.27Å; K44-I57 HydrophobicContact CG-CG2 3.47Å; K44-I57 VanDerWaalsContact CG-CG2 3.47Å; K44-I57 WeakPolarHBondContact O-CA 2.99Å; K44-I57 WeakPolarHBondContact O-CB 3.26Å; K44-I57 PolarHBondContact O-N 3.25Å; K44-I57 VanDerWaalsContact O-N 3.16Å; S45-I57 VanDerWaalsContact CA-CD1 3.48Å; S45-I57 WeakPolarHBondContact O-CD1 2.88Å; S45-I57 WeakPolarHBondContact O-CG1 3.48Å; R46-I57 VanDerWaalsContact CA-CG1 3.44Å; R46-I57 HydrophobicContact CB-CG1 4.11Å; R46-I57 HydrophobicContact CG-CG1 4.16Å
58	Y	29.3	Very low	30.9	Very low	117 Å²	117	114 Å²	114	46%	0.459	62%	0.619	S	S	.	*			trans	-84	125.3	174.8	-60.4	-96.2	0	0	0	111.1	K44	K44-Y58 WeakPolarHBondContact CD-O 3.46Å; K44-Y58 VanDerWaalsContact CE-O 3.3Å; K44-Y58 WeakPolarHBondContact CE-O 3.15Å; K44-Y58 PolarHBondContact NZ-O 2.95Å
59	D	31.4	Very low	30.4	Very low	107 Å²	107	122.1 Å²	122.1	57%	0.572	65%	0.647	S	S	*	*			trans	-47.3	140.4	173.9	-85.2	-33.3	0	0	0	116.1	H43 K44	H43-D59 IonicContact ND1-OD1 3.51Å; H43-D59 PolarHBondContact ND1-OD1 3.21Å; K44-D59 HydrophobicContact CD-CB 4.24Å; K44-D59 VanDerWaalsContact CD-OD1 3.32Å; K44-D59 WeakPolarHBondContact CD-OD1 3.42Å; K44-D59 VanDerWaalsContact CE-C 3.47Å
60	E	30.8	Very low	30	Very low	166 Å²	166	118 Å²	118	78%	0.776	64%	0.642	S	S	*	*			trans	-104	96	174.2	-111.2	-179.2	159.5	0	0	100.2	K44 S62	K44-E60 VanDerWaalsContact CE-CB 3.45Å; K44-E60 VanDerWaalsContact NZ-CA 3.27Å; K44-E60 VanDerWaalsContact NZ-CG 3.33Å; E60-S62 PolarHBondContact O-N 3.48Å
61	V	29.1	Very low	29.7	Very low	115 Å²	115	123 Å²	123	70%	0.697	67%	0.665	S	S	*	*			trans	-72.5	107.8	174.1	-175.5	0	0	0	0	106.1	Q63	V61-Q63 HydrophobicContact CG1-CG 4.06Å; V61-Q63 PolarHBondContact O-N 2.85Å; V61-Q63 VanDerWaalsContact O-N 3.11Å
62	S	31.3	Very low	29.6	Very low	118 Å²	118	126.5 Å²	126.5	83%	0.825	66%	0.655	S	S	*	*			trans	-72.4	97.7	163.3	-78.4	0	0	0	0	108.6	E60 K64	E60-S62 PolarHBondContact O-N 3.48Å; S62-K64 PolarHBondContact O-N 3.06Å
63	Q	29.8	Very low	29.6	Very low	176 Å²	176	126.8 Å²	126.8	82%	0.822	65%	0.652	S	S	*	*			trans	-79.8	98.1	168.8	-73	-175.5	-9.3	0	0	109.6	V61	V61-Q63 HydrophobicContact CG1-CG 4.06Å; V61-Q63 PolarHBondContact O-N 2.85Å; V61-Q63 VanDerWaalsContact O-N 3.11Å
64	K	30.1	Very low	30.3	Very low	205 Å²	205	128.8 Å²	128.8	89%	0.891	66%	0.657	S	S	*	*			trans	-152.3	128.1	147.4	-106.4	-179.6	-172.3	-175.5	0	109.9	S62	S62-K64 PolarHBondContact O-N 3.06Å
65	R	29.6	Very low	30.3	Very low	237 Å²	237	132.3 Å²	132.3	89%	0.894	68%	0.677	S	S	*	*			trans	-53.8	129	-179.1	-65.2	171	178.3	164.3	-1.8	110.7
66	D	25.8	Very low	30.3	Very low	145 Å²	145	141.3 Å²	141.3	78%	0.775	72%	0.716	S	S	*	*	S	Bend	trans	154.5	125.5	144.3	-79.9	-25.2	0	0	0	109.8	S68	D66-S68 PolarHBondContact O-N 3.26Å; D66-S68 VanDerWaalsContact O-N 3.07Å
67	L	30.2	Very low	30.4	Very low	176 Å²	176	142.7 Å²	142.7	92%	0.921	74%	0.741	S	S	*	*	S	Bend	trans	41.2	51.2	159.5	-69.7	154.8	0	0	0	117.7
68	S	33.8	Very low	30.4	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	76%	0.764	S	S	*	*	S	Bend	trans	-178.7	135	158.3	-85.3	0	0	0	0	110.3	D66	D66-S68 PolarHBondContact O-N 3.26Å; D66-S68 VanDerWaalsContact O-N 3.07Å
69	Y	26.2	Very low	30.5	Very low	235 Å²	235	145.8 Å²	145.8	92%	0.922	78%	0.779	S	S	*	*	S	Bend	trans	68.6	107.7	-177.1	-74.4	-88.8	0	0	0	116.6
70	G	26.2	Very low	30.3	Very low	71 Å²	71	148 Å²	148	73%	0.732	79%	0.791	S	S	*	*			trans	-68.2	130	-176.9	0	0	0	0	0	114.1
71	N	25.8	Very low	30.3	Very low	150 Å²	150	147.9 Å²	147.9	80%	0.802	79%	0.788	S	S	*	*			trans	63.2	111.2	131.7	-61.6	-20.8	0	0	0	120.3
72	H	31.3	Very low	30.2	Very low	169 Å²	169	151 Å²	151	78%	0.782	80%	0.801	S	S	*	*				83.3	139.8	128.3	-97.5	30.4	0	0	0	119.6
73	I	30.7	Very low	30	Very low	108 Å²	108	149.8 Å²	149.8	55%	0.554	78%	0.784	S	S	*	*			cis	-167.9	-161.3	-28.1	-13	169.3	0	0	0	105.8	N87	I73-N87 PolarHBondContact O-ND2 3.36Å; I73-N87 VanDerWaalsContact O-ND2 3.12Å
74	P	42.7	Very low	29.8	Very low	83 Å²	83	147.2 Å²	147.2	54%	0.539	78%	0.78	S	S	.	*				-134.8	173	-50.5	32.1	-12.9	0	0	0	115.4
75	D	28.4	Very low	29.6	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	77%	0.773	S	S	*	*			trans	20.1	99.7	141.5	-59.2	-28.1	0	0	0	121.1
76	K	30.6	Very low	29.8	Very low	193 Å²	193	139.6 Å²	139.6	84%	0.839	76%	0.757	S	S	*	*			trans	170.5	85.8	138	-96.5	170.8	-175.2	-178	0	110.3
77	A	33.5	Very low	29.9	Very low	109 Å²	109	138.7 Å²	138.7	90%	0.901	75%	0.753	S	S	*	*			trans	-101.4	98.8	164.9	0	0	0	0	0	108.6
78	V	32.2	Very low	30	Very low	129 Å²	129	136 Å²	136	78%	0.782	74%	0.738	S	S	*	*			trans	-88.7	125.7	175.4	-176.7	0	0	0	0	108.9
79	S	30.6	Very low	29.8	Very low	110 Å²	110	135 Å²	135	77%	0.769	73%	0.729	S	S	*	*	S	Bend	trans	-52.1	143.8	173.4	170.1	0	0	0	0	112.3
80	N	27.5	Very low	30.2	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	73%	0.726	S	S	*	*	S	Bend	trans	98.9	20.5	163.1	-123.8	14.1	0	0	0	120.7
81	K	30.6	Very low	30.4	Very low	162 Å²	162	136.4 Å²	136.4	70%	0.704	73%	0.73	S	S	*	*	S	Bend	trans	-140.8	138.3	155.6	-67.5	-173.4	179.9	178	0	109	I83	K81-I83 HydrophobicContact CB-CB 4.25Å; K81-I83 HydrophobicContact CB-CD1 4.01Å; K81-I83 HydrophobicContact CB-CG1 3.97Å; K81-I83 HydrophobicContact CD-CD1 3.88Å; K81-I83 PolarHBondContact O-N 3.07Å
82	N	27.4	Very low	30.9	Very low	182 Å²	182	134.8 Å²	134.8	97%	0.973	72%	0.72	S	S	*	*	S	Bend	trans	-67.2	56	164.8	-82.9	-20.6	0	0	0	110.4
83	I	26.1	Very low	30.8	Very low	91 Å²	91	134.9 Å²	134.9	47%	0.467	72%	0.72	S	S	.	*			trans	-129.5	95.8	176.2	-58	174.2	0	0	0	105	K81 Y85	K81-I83 HydrophobicContact CB-CB 4.25Å; K81-I83 HydrophobicContact CB-CD1 4.01Å; K81-I83 HydrophobicContact CB-CG1 3.97Å; K81-I83 HydrophobicContact CD-CD1 3.88Å; K81-I83 PolarHBondContact O-N 3.07Å; I83-Y85 HydrophobicContact CG2-CD2 4.21Å; I83-Y85 HydrophobicContact CG2-CE2 4.03Å; I83-Y85 PolarHBondContact O-N 3.4Å
84	V	27.1	Very low	30.6	Very low	123 Å²	123	140.5 Å²	140.5	75%	0.745	73%	0.734	S	S	*	*			trans	-73.7	105.4	164.2	178.9	0	0	0	0	105.7	T86	V84-T86 PolarHBondContact O-N 2.69Å
85	Y	26	Very low	29.9	Very low	190 Å²	190	146.3 Å²	146.3	75%	0.745	75%	0.751	S	S	*	*			trans	-65.6	104.6	167.2	-72.6	-88.5	0	0	0	107.5	I83	I83-Y85 HydrophobicContact CG2-CD2 4.21Å; I83-Y85 HydrophobicContact CG2-CE2 4.03Å; I83-Y85 PolarHBondContact O-N 3.4Å
86	T	31.9	Very low	29.9	Very low	91 Å²	91	147.8 Å²	147.8	56%	0.558	75%	0.751	S	S	*	*			trans	-77.3	138.4	162.8	54.1	0	0	0	0	107.6	V84 I88	V84-T86 PolarHBondContact O-N 2.69Å; T86-I88 PolarHBondContact O-N 3.31Å
87	N	28.4	Very low	29.7	Very low	127 Å²	127	147.5 Å²	147.5	68%	0.679	75%	0.749	S	S	*	*			trans	-63.2	83.3	164.7	-82.9	-35.5	0	0	0	107.8	I73 P89	I73-N87 PolarHBondContact O-ND2 3.36Å; I73-N87 VanDerWaalsContact O-ND2 3.12Å; N87-P89 WeakPolarHBondContact O-CD 3.49Å
88	I	33.3	Very low	29.4	Very low	119 Å²	119	150.9 Å²	150.9	61%	0.61	74%	0.744	S	S	*	*			trans	-59.8	119	160.4	-61.6	171.8	0	0	0	104.4	T86 Q90	T86-I88 PolarHBondContact O-N 3.31Å; I88-Q90 PolarHBondContact O-N 3.15Å
89	P	30.1	Very low	29.1	Very low	86 Å²	86	152.7 Å²	152.7	56%	0.558	75%	0.748	S	S	*	*			trans	-56.1	121.3	170.5	21.5	-29	0	0	0	106.9	N87 N91 I92	N87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-N91 PolarHBondContact O-N 3.37Å; P89-I92 PolarHBondContact O-N 3.16Å
90	Q	34.5	Very low	28.9	Very low	184 Å²	184	151.9 Å²	151.9	86%	0.86	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	13.2	178	-70.4	-177.2	-26.6	0	0	113.4	I88	I88-Q90 PolarHBondContact O-N 3.15Å
91	N	29.9	Very low	29	Very low	151 Å²	151	151.5 Å²	151.5	81%	0.807	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	9.3	178.3	-147.4	-10.9	0	0	0	114	P89 H93	P89-N91 PolarHBondContact O-N 3.37Å; N91-H93 VanDerWaalsContact C-N 3.28Å; N91-H93 PolarHBondContact O-N 3.34Å
92	I	35.7	Very low	28.9	Very low	116 Å²	116	151.4 Å²	151.4	60%	0.595	75%	0.747	S	S	*	*			trans	-99.6	49.9	166.9	-40.8	179.1	0	0	0	109.6	P89 R94	P89-I92 PolarHBondContact O-N 3.16Å; I92-R94 PolarHBondContact O-N 2.97Å
93	H	28.9	Very low	29	Very low	171 Å²	171	150.9 Å²	150.9	79%	0.792	74%	0.744	S	S	*	*			trans	-81.9	15.8	171.6	-107.7	-84.6	0	0	0	113.1	N91	N91-H93 VanDerWaalsContact C-N 3.28Å; N91-H93 PolarHBondContact O-N 3.34Å
94	R	27.6	Very low	29.2	Very low	225 Å²	225	153.1 Å²	153.1	85%	0.849	76%	0.756	S	S	*	*	S	Bend	trans	-137.9	111.9	-179.3	-74	-173.6	174.2	170	-1.3	113	I92	I92-R94 PolarHBondContact O-N 2.97Å
95	K	28.6	Very low	29.3	Very low	206 Å²	206	158.5 Å²	158.5	90%	0.896	76%	0.763	S	S	*	*			trans	84.6	61.1	161.4	-59.7	-178	177.4	179	0	117.6	K97	K95-K97 PolarHBondContact O-N 3.16Å; K95-K97 VanDerWaalsContact O-N 3.12Å
96	F	27.7	Very low	29.6	Very low	183 Å²	183	156.1 Å²	156.1	80%	0.803	77%	0.767	S	S	*	*			trans	-69.4	92.7	135.7	-83.2	-85.5	0	0	0	107.9	F98	F96-F98 HydrophobicContact CB-CD2 4.48Å; F96-F98 PolarHBondContact O-N 3.15Å
97	K	26.4	Very low	29.4	Very low	187 Å²	187	156.8 Å²	156.8	81%	0.813	77%	0.772	S	S	*	*			trans	-83.3	95.5	155.2	-161.8	176.5	-174.3	-175.8	0	104.7	K95 L99	K95-K97 PolarHBondContact O-N 3.16Å; K95-K97 VanDerWaalsContact O-N 3.12Å; K97-L99 PolarHBondContact O-N 3.39Å
98	F	26.3	Very low	29.3	Very low	180 Å²	180	155.9 Å²	155.9	79%	0.789	78%	0.775	S	S	*	*			trans	-48.2	109.5	161.4	-88.4	-98.8	0	0	0	106.6	F96 S100	F96-F98 HydrophobicContact CB-CD2 4.48Å; F96-F98 PolarHBondContact O-N 3.15Å; F98-S100 PolarHBondContact O-N 2.94Å
99	L	27.2	Very low	29	Very low	167 Å²	167	155.9 Å²	155.9	87%	0.874	78%	0.781	S	S	*	*			trans	-71.1	86.4	158.7	-92.8	160.2	0	0	0	105.1	K97 L101	K97-L99 PolarHBondContact O-N 3.39Å; L99-L101 PolarHBondContact O-N 2.78Å
100	S	26.1	Very low	29.1	Very low	93 Å²	93	159.1 Å²	159.1	65%	0.65	79%	0.793	S	S	*	*			trans	-42.2	126.5	161.3	48	0	0	0	0	110	F98	F98-S100 PolarHBondContact O-N 2.94Å
101	L	28.6	Very low	28.7	Very low	147 Å²	147	153.2 Å²	153.2	77%	0.77	78%	0.781	S	S	*	*	S	Bend	trans	66.1	56.7	133.7	-146	84.7	0	0	0	117.1	L99	L99-L101 PolarHBondContact O-N 2.78Å
102	D	28.9	Very low	28.8	Very low	161 Å²	161	156.5 Å²	156.5	86%	0.861	78%	0.784	S	S	*	*	S	Bend	trans	-143.7	1.2	153.8	-92.4	-38.5	0	0	0	113.8	L104	D102-L104 VanDerWaalsContact C-N 3.33Å
103	L	30.8	Very low	28.4	Very low	171 Å²	171	158.7 Å²	158.7	90%	0.895	79%	0.791	S	S	*	*			trans	-99.8	35.9	172.5	-147.3	81.7	0	0	0	112
104	L	29.3	Very low	28.3	Very low	137 Å²	137	159 Å²	159	72%	0.717	80%	0.797	S	S	*	*			trans	-115.1	58.3	169.4	-152.9	86.8	0	0	0	109	D102	D102-L104 VanDerWaalsContact C-N 3.33Å
105	R	28.8	Very low	28.3	Very low	236 Å²	236	153.7 Å²	153.7	89%	0.891	79%	0.79	S	S	*	*			trans	-122.3	23.3	164.9	-117	-178.5	-178.4	178.9	1.4	112.3	T107	R105-T107 PolarHBondContact O-N 3.21Å
106	V	32.1	Very low	28.7	Very low	140 Å²	140	153.1 Å²	153.1	85%	0.848	81%	0.81	S	S	*	*			trans	-92.2	62	156.3	-171	0	0	0	0	107.3
107	T	27.6	Very low	28.7	Very low	106 Å²	106	151.7 Å²	151.7	65%	0.65	81%	0.81	S	S	*	*			trans	-133.1	76.1	167.3	49.5	0	0	0	0	106.6	R105	R105-T107 PolarHBondContact O-N 3.21Å
108	S	27.4	Very low	28.9	Very low	107 Å²	107	149.8 Å²	149.8	75%	0.748	81%	0.81	S	S	*	*	S	Bend	trans	-175.2	141.1	145.1	-165.4	0	0	0	0	107.8
109	V	27.3	Very low	29	Very low	120 Å²	120	148.1 Å²	148.1	73%	0.727	81%	0.811	S	S	*	*	S	Bend	trans	88	110.7	169.7	-149.2	0	0	0	0	116
110	L	32.1	Very low	29.1	Very low	154 Å²	154	147 Å²	147	81%	0.806	81%	0.807	S	S	*	*			trans	73.3	92.2	175.4	-60.8	117.6	0	0	0	114.7
111	G	25.4	Very low	29.3	Very low	60 Å²	60	150.4 Å²	150.4	62%	0.619	82%	0.817	S	S	*	*			cis	70.9	89.3	38.7	0	0	0	0	0	109.6
112	Y	32.1	Very low	29.3	Very low	220 Å²	220	150.6 Å²	150.6	86%	0.863	82%	0.82	S	S	*	*			trans	167	105.1	136.6	-81.3	-61.6	0	0	0	110.9
113	H	27	Very low	29.4	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.745	82%	0.817	S	S	*	*			trans	42.8	108.3	140.8	-94.6	-91.3	0	0	0	121.1
114	L	26.3	Very low	29.3	Very low	178 Å²	178	148.2 Å²	148.2	93%	0.932	81%	0.811	S	S	*	*				-142.7	106	121.9	-141.2	87.3	0	0	0	108.3
115	V	29	Very low	29.3	Very low	113 Å²	113	149.2 Å²	149.2	69%	0.685	82%	0.819	S	S	*	*			trans	-117.4	120.1	168.8	172	0	0	0	0	105.7
116	C	36.2	Very low	29.3	Very low	195 Å²	195	141.3 Å²	141.3	100%	1.318	81%	0.813	S	S	*	*			trans	65.5	0	165.6	-61	0	0	0	0	118

Retrieved 116 of 116 residues in 160.8 ms (Link to these results)

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