A0A3Q0KTV5_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 aa.

						>A0A3Q0KTV5_SCHMA|A0A3Q0KTV5
MFHIHCIGLTLLTVILWQSNGIHAKPSLEIDANDIQCDICMGVVSLGKLFLVSPIMDSIKKMLVEKLCTLPGIMRRRCMHWGYDQIDEMVVHFLKQKSSKPCKYFLLCSTNTSQ
					

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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	58.9	Low	72.7	Confident	213 Å²	213	122.1 Å²	122.1	100%	1.049	63%	0.634	S	S	*	*				0	-40.5	0	-82.9	173.9	78	0	0	113.8	H3	M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.02Å
2	F	62.8	Low	73.2	Confident	189 Å²	189	120.7 Å²	120.7	83%	0.829	63%	0.627	S	S	*	*	H	α-helix	trans	-62.7	-29.6	-179.2	-79.7	-86.4	0	0	0	115.9
3	H	61.9	Low	73.6	Confident	152 Å²	152	117.7 Å²	117.7	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-72.4	-30.7	-173.4	-122.5	-84.2	0	0	0	114.8	M1 I7	M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.02Å; H3-I7 WeakPolarHBondContact O-CD1 3.33Å; H3-I7 WeakPolarHBondContact O-CG1 3.29Å; H3-I7 PolarHBondContact O-N 3.05Å
4	I	74.8	Confident	73.8	Confident	137 Å²	137	114.3 Å²	114.3	70%	0.703	60%	0.604	S	S	*	*	H	α-helix	trans	-75.6	-36.2	-177.2	-59	175.8	0	0	0	110.7	I7 G8	I4-I7 PolarHBondContact O-N 2.7Å; I4-G8 PolarHBondContact O-N 2.9Å; I4-G8 VanDerWaalsContact O-N 3.17Å
5	H	73.9	Confident	73.8	Confident	145 Å²	145	113.7 Å²	113.7	67%	0.671	60%	0.599	S	S	*	*	H	α-helix	trans	-66.5	-39.8	177.2	-96.7	-100.7	0	0	0	112.7	I7 G8 L9	H5-I7 PolarHBondContact O-N 3.26Å; H5-G8 PolarHBondContact O-N 3.45Å; H5-L9 PolarHBondContact O-N 3.19Å; H5-L9 VanDerWaalsContact O-N 3.1Å
6	C	75.2	Confident	73.6	Confident	83 Å²	83	112.9 Å²	112.9	56%	0.561	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-40.2	177.8	-78.2	0	0	0	0	112.5	L9 T10	C6-L9 PolarHBondContact O-N 3.31Å; C6-T10 PolarHBondContact O-N 3.49Å; C6-T10 VanDerWaalsContact O-N 3.14Å; C6-T10 PolarHBondContact O-OG1 3.49Å
7	I	78.2	Confident	73.2	Confident	93 Å²	93	118.4 Å²	118.4	48%	0.477	61%	0.606	S	S	.	*	H	α-helix	trans	-67.8	-39.5	178.9	-61.7	166.4	0	0	0	110.7	H3 I4 H5 T10 L11	H3-I7 WeakPolarHBondContact O-CD1 3.33Å; H3-I7 WeakPolarHBondContact O-CG1 3.29Å; H3-I7 PolarHBondContact O-N 3.05Å; I4-I7 PolarHBondContact O-N 2.7Å; H5-I7 PolarHBondContact O-N 3.26Å; I7-T10 PolarHBondContact O-OG1 2.92Å; I7-T10 VanDerWaalsContact O-OG1 3.04Å; I7-L11 HydrophobicContact CG2-CD1 4.04Å; I7-L11 PolarHBondContact O-N 3.42Å
8	G	76.7	Confident	72.5	Confident	35 Å²	35	116.9 Å²	116.9	36%	0.361	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-42.8	176.4	0	0	0	0	0	113	I4 H5 L12	I4-G8 PolarHBondContact O-N 2.9Å; I4-G8 VanDerWaalsContact O-N 3.17Å; H5-G8 PolarHBondContact O-N 3.45Å; G8-L12 PolarHBondContact O-N 3.17Å; G8-L12 VanDerWaalsContact O-N 3.15Å
9	L	80.5	Confident	71.9	Confident	111 Å²	111	114.9 Å²	114.9	58%	0.581	59%	0.594	S	S	*	*	H	α-helix	trans	-67	-42.2	179.5	-90.5	151.5	0	0	0	112.7	H5 C6 L12 T13	H5-L9 PolarHBondContact O-N 3.19Å; H5-L9 VanDerWaalsContact O-N 3.1Å; C6-L9 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 2.95Å; L9-T13 WeakPolarHBondContact O-CG2 3.16Å; L9-T13 PolarHBondContact O-N 2.84Å; L9-T13 PolarHBondContact O-OG1 2.78Å
10	T	78.8	Confident	71.2	Confident	81 Å²	81	116.7 Å²	116.7	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-65.2	-43.5	179.2	49	0	0	0	0	111.8	C6 I7 L12 T13 V14	C6-T10 PolarHBondContact O-N 3.49Å; C6-T10 VanDerWaalsContact O-N 3.14Å; C6-T10 PolarHBondContact O-OG1 3.49Å; I7-T10 PolarHBondContact O-OG1 2.92Å; I7-T10 VanDerWaalsContact O-OG1 3.04Å; T10-L12 PolarHBondContact O-N 3.37Å; T10-T13 PolarHBondContact O-N 3.49Å; T10-T13 PolarHBondContact O-OG1 3.29Å; T10-V14 WeakPolarHBondContact O-CG2 3.35Å; T10-V14 PolarHBondContact O-N 3.4Å
11	L	78.4	Confident	70.1	Confident	104 Å²	104	113.7 Å²	113.7	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-59	-44.6	175.1	-82.1	161.1	0	0	0	112.2	I7 T13 V14 I15	I7-L11 HydrophobicContact CG2-CD1 4.04Å; I7-L11 PolarHBondContact O-N 3.42Å; L11-T13 PolarHBondContact O-N 2.9Å; L11-V14 PolarHBondContact O-N 3.44Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.21Å; L11-I15 PolarHBondContact O-N 2.03Å
12	L	79	Confident	69.5	Low	105 Å²	105	108 Å²	108	55%	0.55	58%	0.575	S	S	.	*	H	α-helix	trans	-60.9	-42.3	176.2	-93.1	155.1	0	0	0	112.3	G8 L9 T10 I15 L16	G8-L12 PolarHBondContact O-N 3.17Å; G8-L12 VanDerWaalsContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 2.95Å; T10-L12 PolarHBondContact O-N 3.37Å; L12-I15 PolarHBondContact O-N 3.1Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.24Å
13	T	78.5	Confident	68.7	Low	82 Å²	82	106.4 Å²	106.4	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-67.2	-37.3	178.3	56.6	0	0	0	0	112.9	L9 T10 L11 L16 W17	L9-T13 WeakPolarHBondContact O-CG2 3.16Å; L9-T13 PolarHBondContact O-N 2.84Å; L9-T13 PolarHBondContact O-OG1 2.78Å; T10-T13 PolarHBondContact O-N 3.49Å; T10-T13 PolarHBondContact O-OG1 3.29Å; L11-T13 PolarHBondContact O-N 2.9Å; T13-L16 PolarHBondContact O-N 3.01Å; T13-W17 WeakPolarHBondContact O-CB 3.16Å; T13-W17 PolarHBondContact O-N 3.33Å
14	V	76	Confident	67.9	Low	70 Å²	70	103.8 Å²	103.8	42%	0.424	58%	0.575	S	S	.	*	H	α-helix	trans	-68	-43.1	176.2	174.8	0	0	0	0	110.6	T10 L11 L16 W17 Q18	T10-V14 WeakPolarHBondContact O-CG2 3.35Å; T10-V14 PolarHBondContact O-N 3.4Å; L11-V14 PolarHBondContact O-N 3.44Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.49Å; V14-W17 PolarHBondContact O-N 3.4Å; V14-Q18 HydrophobicContact CG1-CG 4.3Å; V14-Q18 WeakPolarHBondContact O-CB 3.49Å; V14-Q18 WeakPolarHBondContact O-CG 3.48Å; V14-Q18 PolarHBondContact O-N 3.49Å
15	I	73.4	Confident	66.4	Low	105 Å²	105	105.5 Å²	105.5	54%	0.538	58%	0.577	S	S	.	*	H	α-helix	trans	-62.2	-43.5	175.6	-66.2	164.7	0	0	0	110.6	L11 L12 Q18 S19	L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.21Å; L11-I15 PolarHBondContact O-N 2.03Å; L12-I15 PolarHBondContact O-N 3.1Å; I15-Q18 PolarHBondContact O-N 3.14Å; I15-S19 VanDerWaalsContact O-CB 3.3Å; I15-S19 WeakPolarHBondContact O-CB 3.14Å; I15-S19 PolarHBondContact O-N 2.8Å; I15-S19 PolarHBondContact O-OG 3.37Å
16	L	71.2	Confident	65.2	Low	102 Å²	102	102.9 Å²	102.9	53%	0.534	57%	0.573	S	S	.	*	H	α-helix	trans	-65.7	-40.5	177	-73.7	169.1	0	0	0	111.8	L12 T13 V14 S19 N20	L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.24Å; T13-L16 PolarHBondContact O-N 3.01Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.49Å; L16-S19 WeakPolarHBondContact CA-OG 3.04Å; L16-S19 PolarHBondContact O-N 2.82Å; L16-S19 PolarHBondContact O-OG 3.29Å; L16-N20 PolarHBondContact O-N 3.34Å
17	W	66.7	Low	63.8	Low	206 Å²	206	102.9 Å²	102.9	78%	0.78	57%	0.574	S	S	*	*	H	α-helix	trans	-70.3	-36.4	178.3	-163.1	42.9	0	0	0	112.3	T13 V14 N20 G21	T13-W17 WeakPolarHBondContact O-CB 3.16Å; T13-W17 PolarHBondContact O-N 3.33Å; V14-W17 PolarHBondContact O-N 3.4Å; W17-N20 PolarHBondContact O-N 2.91Å; W17-G21 WeakPolarHBondContact O-CA 3.4Å; W17-G21 PolarHBondContact O-N 3.5Å
18	Q	60.4	Low	62.3	Low	92 Å²	92	104.7 Å²	104.7	43%	0.43	58%	0.584	S	S	.	*	H	α-helix	trans	-69.9	-34.7	170.4	-70.1	-169.6	-81.6	0	0	111.8	V14 I15 N20 G21 I22	V14-Q18 HydrophobicContact CG1-CG 4.3Å; V14-Q18 WeakPolarHBondContact O-CB 3.49Å; V14-Q18 WeakPolarHBondContact O-CG 3.48Å; V14-Q18 PolarHBondContact O-N 3.49Å; I15-Q18 PolarHBondContact O-N 3.14Å; Q18-N20 VanDerWaalsContact C-N 3.34Å; Q18-G21 PolarHBondContact O-N 3.37Å; Q18-I22 HydrophobicContact CB-CB 4.18Å; Q18-I22 HydrophobicContact CB-CD1 4.45Å; Q18-I22 HydrophobicContact CB-CG1 4.3Å; Q18-I22 HydrophobicContact CG-CB 4.45Å; Q18-I22 HydrophobicContact CG-CD1 3.77Å; Q18-I22 HydrophobicContact CG-CG1 4.13Å; Q18-I22 WeakPolarHBondContact O-CA 3.44Å; Q18-I22 WeakPolarHBondContact O-CB 3.42Å; Q18-I22 PolarHBondContact O-N 3.44Å
19	S	61.9	Low	61	Low	79 Å²	79	111 Å²	111	55%	0.552	60%	0.604	S	S	*	*	H	α-helix	trans	-69.1	-32.3	174.8	71.6	0	0	0	0	112.7	I15 L16	I15-S19 VanDerWaalsContact O-CB 3.3Å; I15-S19 WeakPolarHBondContact O-CB 3.14Å; I15-S19 PolarHBondContact O-N 2.8Å; I15-S19 PolarHBondContact O-OG 3.37Å; L16-S19 WeakPolarHBondContact CA-OG 3.04Å; L16-S19 PolarHBondContact O-N 2.82Å; L16-S19 PolarHBondContact O-OG 3.29Å
20	N	56.2	Low	59.8	Low	149 Å²	149	109.9 Å²	109.9	80%	0.797	60%	0.597	S	S	*	*	H	α-helix	trans	-85.4	-18.5	175.6	-83.9	23.4	0	0	0	113.4	L16 W17 Q18	L16-N20 PolarHBondContact O-N 3.34Å; W17-N20 PolarHBondContact O-N 2.91Å; Q18-N20 VanDerWaalsContact C-N 3.34Å
21	G	49.5	Very low	59.2	Low	54 Å²	54	110.2 Å²	110.2	56%	0.557	60%	0.596	S	S	*	*	H	α-helix	trans	-134.9	-8.8	-164.4	0	0	0	0	0	116.9	W17 Q18	W17-G21 WeakPolarHBondContact O-CA 3.4Å; W17-G21 PolarHBondContact O-N 3.5Å; Q18-G21 PolarHBondContact O-N 3.37Å
22	I	46.6	Very low	58.8	Low	95 Å²	95	108.3 Å²	108.3	49%	0.487	60%	0.596	S	S	.	*	S	Bend	trans	-114.5	94.4	-176.1	-65.8	-158.5	0	0	0	110.8	Q18	Q18-I22 HydrophobicContact CB-CB 4.18Å; Q18-I22 HydrophobicContact CB-CD1 4.45Å; Q18-I22 HydrophobicContact CB-CG1 4.3Å; Q18-I22 HydrophobicContact CG-CB 4.45Å; Q18-I22 HydrophobicContact CG-CD1 3.77Å; Q18-I22 HydrophobicContact CG-CG1 4.13Å; Q18-I22 WeakPolarHBondContact O-CA 3.44Å; Q18-I22 WeakPolarHBondContact O-CB 3.42Å; Q18-I22 PolarHBondContact O-N 3.44Å
23	H	45.9	Very low	58.5	Low	155 Å²	155	105.5 Å²	105.5	72%	0.718	58%	0.581	S	S	*	*			trans	65.5	75.5	151.9	-59.5	-110.9	0	0	0	112.8	K25	H23-K25 PolarHBondContact O-N 2.85Å
24	A	44.4	Very low	58.5	Low	97 Å²	97	106.1 Å²	106.1	80%	0.802	58%	0.581	S	S	*	*				-46.9	87.9	112.7	0	0	0	0	0	106.1	P26	A24-P26 VanDerWaalsContact C-N 3.26Å; A24-P26 WeakPolarHBondContact O-CD 3.11Å
25	K	43.9	Very low	58.9	Low	172 Å²	172	106 Å²	106	75%	0.748	58%	0.578	S	S	*	*			trans	-45	113.1	147	-172.4	179.3	-173.1	-176.6	0	100.2	H23 S27	H23-K25 PolarHBondContact O-N 2.85Å; K25-S27 PolarHBondContact O-N 3.47Å
26	P	47.1	Very low	59.4	Low	91 Å²	91	105.7 Å²	105.7	59%	0.591	57%	0.574	S	S	*	*			trans	-54.5	107.5	155	24.1	-25.7	0	0	0	100.3	A24 L28	A24-P26 VanDerWaalsContact C-N 3.26Å; A24-P26 WeakPolarHBondContact O-CD 3.11Å; P26-L28 PolarHBondContact O-N 3.37Å
27	S	46.6	Very low	60	Low	82 Å²	82	102.1 Å²	102.1	57%	0.573	56%	0.557	S	S	*	*			trans	-48.6	101.3	145.9	41.6	0	0	0	0	99.8	K25 E29	K25-S27 PolarHBondContact O-N 3.47Å; S27-E29 PolarHBondContact O-N 2.89Å
28	L	47.3	Very low	60.9	Low	131 Å²	131	97.9 Å²	97.9	69%	0.686	55%	0.55	S	S	*	.			trans	-64.9	69.4	161.7	-141.2	86.6	0	0	0	100.8	P26 I30	P26-L28 PolarHBondContact O-N 3.37Å; L28-I30 HydrophobicContact CB-CG1 4.05Å; L28-I30 HydrophobicContact CD2-CD1 3.38Å; L28-I30 HydrophobicContact CD2-CG1 3.35Å; L28-I30 HydrophobicContact CG-CD1 4.05Å; L28-I30 HydrophobicContact CG-CG1 3.4Å; L28-I30 PolarHBondContact O-N 3.41Å
29	E	48.5	Very low	62.1	Low	169 Å²	169	98.6 Å²	98.6	79%	0.79	56%	0.555	S	S	*	*			trans	-61.3	68.6	142.1	-83.8	180	117.6	0	0	102.5	S27 D31	S27-E29 PolarHBondContact O-N 2.89Å; E29-D31 PolarHBondContact O-N 2.94Å
30	I	56.5	Low	63.3	Low	87 Å²	87	95.5 Å²	95.5	45%	0.446	53%	0.533	S	S	.	.			trans	-62.4	105.8	149.1	-41.1	171.5	0	0	0	100.7	L28 A32 I35	L28-I30 HydrophobicContact CB-CG1 4.05Å; L28-I30 HydrophobicContact CD2-CD1 3.38Å; L28-I30 HydrophobicContact CD2-CG1 3.35Å; L28-I30 HydrophobicContact CG-CD1 4.05Å; L28-I30 HydrophobicContact CG-CG1 3.4Å; L28-I30 PolarHBondContact O-N 3.41Å; I30-A32 PolarHBondContact O-N 2.91Å; I30-A32 VanDerWaalsContact O-N 3.08Å; I30-I35 HydrophobicContact CB-CD1 3.78Å; I30-I35 HydrophobicContact CB-CG1 4.08Å; I30-I35 HydrophobicContact CD1-CD1 4.02Å; I30-I35 HydrophobicContact CG2-CD1 3.56Å; I30-I35 HydrophobicContact CG2-CG1 3.27Å
31	D	65.8	Low	64.6	Low	87 Å²	87	91.1 Å²	91.1	47%	0.465	51%	0.509	S	S	.	.			trans	-52.6	123.4	172.8	-169.2	-50.9	0	0	0	105.9	E29 N33 D34 I35	E29-D31 PolarHBondContact O-N 2.94Å; D31-N33 PolarHBondContact O-N 3.38Å; D31-N33 WeakPolarHBondContact OD1-CA 3.05Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 3.5Å; D31-D34 HydrophobicContact CB-CB 4.18Å; D31-D34 WeakPolarHBondContact O-CB 3.16Å; D31-D34 PolarHBondContact O-N 3.07Å; D31-I35 PolarHBondContact O-N 3.42Å
32	A	70.1	Confident	66.2	Low	65 Å²	65	90.1 Å²	90.1	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-56.4	-26.7	-178.4	0	0	0	0	0	111.1	I30 Q36	I30-A32 PolarHBondContact O-N 2.91Å; I30-A32 VanDerWaalsContact O-N 3.08Å; A32-Q36 VanDerWaalsContact O-CG 3.3Å; A32-Q36 WeakPolarHBondContact O-CG 3.15Å; A32-Q36 PolarHBondContact O-N 3.49Å; A32-Q36 VanDerWaalsContact O-N 3.08Å
33	N	71.9	Confident	68	Low	45 Å²	45	90 Å²	90	24%	0.241	50%	0.502	C	S	.	.	H	α-helix	trans	-69.4	-39	174.3	-163.3	4.4	0	0	0	112.3	D31 I35 Q36 C37 S109	D31-N33 PolarHBondContact O-N 3.38Å; D31-N33 WeakPolarHBondContact OD1-CA 3.05Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 3.5Å; N33-I35 VanDerWaalsContact C-N 3.33Å; N33-I35 PolarHBondContact O-N 3.44Å; N33-Q36 PolarHBondContact O-N 3.23Å; N33-C37 WeakPolarHBondContact O-CB 3.39Å; N33-C37 PolarHBondContact O-N 3.24Å; N33-S109 PolarHBondContact ND2-OG 3.48Å
34	D	78.7	Confident	69.8	Low	95 Å²	95	83.7 Å²	83.7	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-42.5	175.7	-72.4	-16.2	0	0	0	110.4	D31 Q36 C37 D38	D31-D34 HydrophobicContact CB-CB 4.18Å; D31-D34 WeakPolarHBondContact O-CB 3.16Å; D31-D34 PolarHBondContact O-N 3.07Å; D34-Q36 PolarHBondContact O-N 3.41Å; D34-C37 PolarHBondContact O-N 2.88Å; D34-D38 WeakPolarHBondContact O-CB 3.2Å; D34-D38 PolarHBondContact O-N 3.45Å
35	I	83.5	Confident	71.4	Confident	68 Å²	68	81.8 Å²	81.8	35%	0.349	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-47.3	174.9	-60.9	171.7	0	0	0	111	I30 D31 N33 C37 D38 I39	I30-I35 HydrophobicContact CB-CD1 3.78Å; I30-I35 HydrophobicContact CB-CG1 4.08Å; I30-I35 HydrophobicContact CD1-CD1 4.02Å; I30-I35 HydrophobicContact CG2-CD1 3.56Å; I30-I35 HydrophobicContact CG2-CG1 3.27Å; D31-I35 PolarHBondContact O-N 3.42Å; N33-I35 VanDerWaalsContact C-N 3.33Å; N33-I35 PolarHBondContact O-N 3.44Å; I35-C37 VanDerWaalsContact C-N 3.28Å; I35-C37 PolarHBondContact O-N 3.41Å; I35-D38 PolarHBondContact O-N 2.8Å; I35-I39 HydrophobicContact CG2-CD1 3.67Å; I35-I39 HydrophobicContact CG2-CG1 4.29Å; I35-I39 WeakPolarHBondContact O-CB 3.29Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.42Å; I35-I39 PolarHBondContact O-N 3.44Å
36	Q	84.2	Confident	73.1	Confident	99 Å²	99	78.3 Å²	78.3	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-62.3	-39.7	-179.7	-76.3	179.2	-4	0	0	111.6	A32 N33 D34 C40 L107	A32-Q36 VanDerWaalsContact O-CG 3.3Å; A32-Q36 WeakPolarHBondContact O-CG 3.15Å; A32-Q36 PolarHBondContact O-N 3.49Å; A32-Q36 VanDerWaalsContact O-N 3.08Å; N33-Q36 PolarHBondContact O-N 3.23Å; D34-Q36 PolarHBondContact O-N 3.41Å; Q36-C40 WeakPolarHBondContact O-CB 3.22Å; Q36-C40 PolarHBondContact O-N 2.7Å; Q36-L107 CarbonylContact C-O 3.44Å
37	C	85	Confident	74.6	Confident	27 Å²	27	75 Å²	75	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-47.3	177.7	-174.2	0	0	0	0	111	N33 D34 I35 I39 C40 M41 L107 C108	N33-C37 WeakPolarHBondContact O-CB 3.39Å; N33-C37 PolarHBondContact O-N 3.24Å; D34-C37 PolarHBondContact O-N 2.88Å; I35-C37 VanDerWaalsContact C-N 3.28Å; I35-C37 PolarHBondContact O-N 3.41Å; C37-I39 PolarHBondContact O-N 3.31Å; C37-C40 PolarHBondContact O-N 2.71Å; C37-M41 WeakPolarHBondContact O-CB 3.31Å; C37-M41 VanDerWaalsContact O-CG 3.24Å; C37-M41 WeakPolarHBondContact O-CG 3.48Å; C37-M41 PolarHBondContact O-N 3.43Å; C37-L107 WeakPolarHBondContact CA-O 3.37Å; C37-L107 WeakPolarHBondContact CB-O 3.27Å; C37-L107 PolarHBondContact N-O 3.47Å; C37-C108 WeakPolarHBondContact CA-SG 3.44Å; C37-C108 HydrophobicContact CB-CB 3.88Å; C37-C108 WeakPolarHBondContact CB-SG 3.45Å; C37-C108 WeakPolarHBondContact SG-CB 3.27Å; C37-C108 CovalentContact SG-SG 2.03Å; C37-C108 PolarHBondContact SG-SG 3.49Å
38	D	85.2	Confident	75.9	Confident	117 Å²	117	74 Å²	74	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-62.2	-43.5	178.3	-78.7	-17.4	0	0	0	112.2	D34 I35 C40 M41 G42	D34-D38 WeakPolarHBondContact O-CB 3.2Å; D34-D38 PolarHBondContact O-N 3.45Å; I35-D38 PolarHBondContact O-N 2.8Å; D38-C40 VanDerWaalsContact C-N 3.35Å; D38-C40 PolarHBondContact O-N 2.85Å; D38-M41 PolarHBondContact O-N 3.35Å; D38-G42 PolarHBondContact O-N 2.95Å
39	I	85.8	Confident	77.2	Confident	106 Å²	106	73.8 Å²	73.8	54%	0.544	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-46.6	174.7	-68.5	169.9	0	0	0	110	I35 C37 M41 G42 V43	I35-I39 HydrophobicContact CG2-CD1 3.67Å; I35-I39 HydrophobicContact CG2-CG1 4.29Å; I35-I39 WeakPolarHBondContact O-CB 3.29Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.42Å; I35-I39 PolarHBondContact O-N 3.44Å; C37-I39 PolarHBondContact O-N 3.31Å; I39-M41 PolarHBondContact O-N 3.25Å; I39-G42 PolarHBondContact O-N 3.46Å; I39-V43 HydrophobicContact CG2-CG2 4.44Å; I39-V43 WeakPolarHBondContact O-CG2 3.44Å; I39-V43 PolarHBondContact O-N 2.87Å
40	C	85.9	Confident	78.5	Confident	14 Å²	14	71.6 Å²	71.6	10%	0.095	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-44.6	178.7	180	0	0	0	0	111.8	Q36 C37 D38 G42 V43 V44 C102 L107	Q36-C40 WeakPolarHBondContact O-CB 3.22Å; Q36-C40 PolarHBondContact O-N 2.7Å; C37-C40 PolarHBondContact O-N 2.71Å; D38-C40 VanDerWaalsContact C-N 3.35Å; D38-C40 PolarHBondContact O-N 2.85Å; C40-G42 VanDerWaalsContact C-N 3.28Å; C40-G42 PolarHBondContact O-N 2.62Å; C40-V43 PolarHBondContact O-N 2.8Å; C40-V44 WeakPolarHBondContact O-CB 3.23Å; C40-V44 WeakPolarHBondContact O-CG2 3.33Å; C40-V44 PolarHBondContact O-N 3Å; C40-C102 HydrophobicContact CB-CB 3.76Å; C40-C102 WeakPolarHBondContact CB-SG 3.3Å; C40-C102 WeakPolarHBondContact SG-CA 3.43Å; C40-C102 WeakPolarHBondContact SG-CB 3.43Å; C40-C102 CovalentContact SG-SG 2.03Å; C40-C102 PolarHBondContact SG-SG 3.15Å; C40-L107 HydrophobicContact CB-CB 3.98Å; C40-L107 HydrophobicContact CB-CD1 3.81Å
41	M	84.2	Confident	79.3	Confident	57 Å²	57	70.6 Å²	70.6	28%	0.281	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-38.5	176.5	-72.2	-62.7	-68.1	0	0	111.6	C37 D38 I39 S45	C37-M41 WeakPolarHBondContact O-CB 3.31Å; C37-M41 VanDerWaalsContact O-CG 3.24Å; C37-M41 WeakPolarHBondContact O-CG 3.48Å; C37-M41 PolarHBondContact O-N 3.43Å; D38-M41 PolarHBondContact O-N 3.35Å; I39-M41 PolarHBondContact O-N 3.25Å; M41-S45 VanDerWaalsContact O-CB 3.31Å; M41-S45 WeakPolarHBondContact O-CB 3.5Å; M41-S45 PolarHBondContact O-N 2.83Å; M41-S45 PolarHBondContact O-OG 2.66Å
42	G	84.1	Confident	79.6	Confident	33 Å²	33	72.3 Å²	72.3	34%	0.34	41%	0.408	S	S	.	.	H	α-helix	trans	-60.4	-50.1	171.8	0	0	0	0	0	112.2	D38 I39 C40 V44 S45 L46	D38-G42 PolarHBondContact O-N 2.95Å; I39-G42 PolarHBondContact O-N 3.46Å; C40-G42 VanDerWaalsContact C-N 3.28Å; C40-G42 PolarHBondContact O-N 2.62Å; G42-V44 PolarHBondContact O-N 3.3Å; G42-S45 PolarHBondContact O-N 3.41Å; G42-L46 WeakPolarHBondContact O-CG 3.39Å; G42-L46 PolarHBondContact O-N 3.37Å
43	V	83.5	Confident	80	Confident	93 Å²	93	70.6 Å²	70.6	56%	0.564	39%	0.392	S	S	*	.	H	α-helix	trans	-62.1	-44.2	178.2	171.8	0	0	0	0	111.6	I39 C40 S45 L46 G47	I39-V43 HydrophobicContact CG2-CG2 4.44Å; I39-V43 WeakPolarHBondContact O-CG2 3.44Å; I39-V43 PolarHBondContact O-N 2.87Å; C40-V43 PolarHBondContact O-N 2.8Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3.07Å; V43-L46 PolarHBondContact O-N 3.42Å; V43-G47 PolarHBondContact O-N 3.06Å
44	V	82.8	Confident	80.4	Confident	22 Å²	22	73.3 Å²	73.3	13%	0.133	41%	0.412	C	S	.	.	H	α-helix	trans	-61.2	-40.3	176	169.2	0	0	0	0	110.5	C40 G42 G47 K48 L94 P101	C40-V44 WeakPolarHBondContact O-CB 3.23Å; C40-V44 WeakPolarHBondContact O-CG2 3.33Å; C40-V44 PolarHBondContact O-N 3Å; G42-V44 PolarHBondContact O-N 3.3Å; V44-G47 PolarHBondContact O-N 2.94Å; V44-K48 WeakPolarHBondContact O-CG 3.13Å; V44-K48 PolarHBondContact O-N 3.36Å; V44-K48 VanDerWaalsContact O-N 3.13Å; V44-L94 HydrophobicContact CG1-CD2 4.16Å; V44-P101 HydrophobicContact CG2-CB 4.02Å; V44-P101 HydrophobicContact CG2-CG 4.49Å
45	S	79.9	Confident	80.6	Confident	58 Å²	58	74.2 Å²	74.2	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-69.3	-41.2	178.2	-59.8	0	0	0	0	112.5	M41 G42 V43 G47 K48 L49	M41-S45 VanDerWaalsContact O-CB 3.31Å; M41-S45 WeakPolarHBondContact O-CB 3.5Å; M41-S45 PolarHBondContact O-N 2.83Å; M41-S45 PolarHBondContact O-OG 2.66Å; G42-S45 PolarHBondContact O-N 3.41Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3.07Å; S45-G47 VanDerWaalsContact C-N 3.34Å; S45-K48 WeakPolarHBondContact O-CB 3.37Å; S45-K48 PolarHBondContact O-N 2.77Å; S45-L49 PolarHBondContact O-N 3.16Å
46	L	78.3	Confident	80.4	Confident	98 Å²	98	73.7 Å²	73.7	51%	0.513	41%	0.413	S	S	.	.	H	α-helix	trans	-62.4	-43.7	171.9	-71.9	174.9	0	0	0	110.9	G42 V43 K48 L49 F50	G42-L46 WeakPolarHBondContact O-CG 3.39Å; G42-L46 PolarHBondContact O-N 3.37Å; V43-L46 PolarHBondContact O-N 3.42Å; L46-K48 PolarHBondContact O-N 2.88Å; L46-L49 HydrophobicContact CD2-CD1 4.48Å; L46-L49 WeakPolarHBondContact O-CB 3.16Å; L46-L49 PolarHBondContact O-N 3.34Å; L46-F50 HydrophobicContact CB-CD2 4.49Å; L46-F50 HydrophobicContact CB-CE2 4.49Å; L46-F50 VanDerWaalsContact O-CD2 3.22Å; L46-F50 WeakPolarHBondContact O-CD2 3.32Å; L46-F50 PolarHBondContact O-N 3.39Å
47	G	78.2	Confident	80.4	Confident	23 Å²	23	71.9 Å²	71.9	24%	0.237	41%	0.406	C	S	.	.	H	α-helix	trans	-52.7	-41.7	174.8	0	0	0	0	0	112.2	V43 V44 S45 L49 F50 L51	V43-G47 PolarHBondContact O-N 3.06Å; V44-G47 PolarHBondContact O-N 2.94Å; S45-G47 VanDerWaalsContact C-N 3.34Å; G47-L49 PolarHBondContact O-N 3.4Å; G47-F50 PolarHBondContact O-N 3.47Å; G47-L51 WeakPolarHBondContact O-CB 3.23Å; G47-L51 WeakPolarHBondContact O-CD1 3.11Å; G47-L51 WeakPolarHBondContact O-CG 3.27Å; G47-L51 PolarHBondContact O-N 3.16Å
48	K	74.6	Confident	80.4	Confident	60 Å²	60	73.8 Å²	73.8	26%	0.261	42%	0.42	S	S	.	.	H	α-helix	trans	-57.7	-45.7	174.1	-66	177.5	-161.4	-175.8	0	112.8	V44 S45 L46 L51 V52 L94	V44-K48 WeakPolarHBondContact O-CG 3.13Å; V44-K48 PolarHBondContact O-N 3.36Å; V44-K48 VanDerWaalsContact O-N 3.13Å; S45-K48 WeakPolarHBondContact O-CB 3.37Å; S45-K48 PolarHBondContact O-N 2.77Å; L46-K48 PolarHBondContact O-N 2.88Å; K48-L51 PolarHBondContact O-N 3.32Å; K48-V52 PolarHBondContact O-N 3.09Å; K48-L94 HydrophobicContact CB-CD1 4.18Å; K48-L94 HydrophobicContact CD-CB 4.12Å; K48-L94 WeakPolarHBondContact CE-O 3.4Å; K48-L94 HydrophobicContact CG-CB 3.78Å; K48-L94 HydrophobicContact CG-CD1 3.55Å; K48-L94 HydrophobicContact CG-CD2 3.76Å; K48-L94 HydrophobicContact CG-CG 3.88Å; K48-L94 PolarHBondContact NZ-O 3.34Å
49	L	74.9	Confident	80.4	Confident	127 Å²	127	72.1 Å²	72.1	67%	0.665	41%	0.41	S	S	*	.	H	α-helix	trans	-65.5	-42	179.3	-63.4	172.9	0	0	0	110.9	S45 L46 G47 L51 V52	S45-L49 PolarHBondContact O-N 3.16Å; L46-L49 HydrophobicContact CD2-CD1 4.48Å; L46-L49 WeakPolarHBondContact O-CB 3.16Å; L46-L49 PolarHBondContact O-N 3.34Å; G47-L49 PolarHBondContact O-N 3.4Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.46Å; L49-V52 PolarHBondContact O-N 3.34Å
50	F	75.3	Confident	80.2	Confident	122 Å²	122	68.4 Å²	68.4	54%	0.535	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-35.6	176.5	-80.1	-72.5	0	0	0	112.7	L46 G47 V52 S53 M56	L46-F50 HydrophobicContact CB-CD2 4.49Å; L46-F50 HydrophobicContact CB-CE2 4.49Å; L46-F50 VanDerWaalsContact O-CD2 3.22Å; L46-F50 WeakPolarHBondContact O-CD2 3.32Å; L46-F50 PolarHBondContact O-N 3.39Å; G47-F50 PolarHBondContact O-N 3.47Å; F50-V52 VanDerWaalsContact C-N 3.27Å; F50-V52 PolarHBondContact O-N 2.92Å; F50-S53 WeakPolarHBondContact O-CB 3.15Å; F50-S53 PolarHBondContact O-N 2.77Å; F50-M56 HydrophobicContact CB-CE 4.17Å; F50-M56 WeakPolarHBondContact O-CB 3.21Å
51	L	72.9	Confident	80.3	Confident	66 Å²	66	73 Å²	73	35%	0.346	41%	0.409	S	S	.	.	H	α-helix	trans	-73	-18.8	-177.9	-72.4	155.8	0	0	0	113.5	G47 K48 L49 M56 V90 L94	G47-L51 WeakPolarHBondContact O-CB 3.23Å; G47-L51 WeakPolarHBondContact O-CD1 3.11Å; G47-L51 WeakPolarHBondContact O-CG 3.27Å; G47-L51 PolarHBondContact O-N 3.16Å; K48-L51 PolarHBondContact O-N 3.32Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.46Å; L51-M56 HydrophobicContact CD2-CG 3.89Å; L51-V90 HydrophobicContact CB-CG1 4.25Å; L51-V90 HydrophobicContact CD1-CG1 3.6Å; L51-V90 HydrophobicContact CD2-CG1 4.03Å; L51-V90 HydrophobicContact CG-CG1 4.14Å; L51-L94 HydrophobicContact CB-CD1 4.3Å; L51-L94 HydrophobicContact CD1-CD1 3.34Å; L51-L94 HydrophobicContact CD1-CG 4.39Å; L51-L94 HydrophobicContact CG-CD1 4.4Å
52	V	72.5	Confident	80.4	Confident	123 Å²	123	76.2 Å²	76.2	75%	0.745	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-5	171	-176.7	0	0	0	0	111.6	K48 L49 F50	K48-V52 PolarHBondContact O-N 3.09Å; L49-V52 PolarHBondContact O-N 3.34Å; F50-V52 VanDerWaalsContact C-N 3.27Å; F50-V52 PolarHBondContact O-N 2.92Å
53	S	79	Confident	80.6	Confident	30 Å²	30	79.5 Å²	79.5	21%	0.21	43%	0.433	C	S	.	.	S	Bend	trans	-73.2	137.3	-179.7	-179.1	0	0	0	0	111.5	F50 I55 M56 D57	F50-S53 WeakPolarHBondContact O-CB 3.15Å; F50-S53 PolarHBondContact O-N 2.77Å; S53-I55 PolarHBondContact O-N 3.43Å; S53-I55 VanDerWaalsContact O-N 3.09Å; S53-I55 PolarHBondContact OG-N 2.65Å; S53-M56 WeakPolarHBondContact O-CB 3.36Å; S53-M56 PolarHBondContact O-N 3.41Å; S53-D57 PolarHBondContact O-N 3.28Å
54	P	79.2	Confident	80.8	Confident	101 Å²	101	75.3 Å²	75.3	66%	0.656	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-23.5	173.9	25.3	-35.2	0	0	0	112.8	M56 S58	P54-M56 VanDerWaalsContact C-N 3.35Å; P54-S58 PolarHBondContact O-N 2.65Å
55	I	83.2	Confident	81.1	Confident	114 Å²	114	79 Å²	79	59%	0.585	42%	0.424	S	S	*	.	H	α-helix	trans	-65	-43	173.9	-60.8	173.5	0	0	0	109.9	S53 D57 S58 I59	S53-I55 PolarHBondContact O-N 3.43Å; S53-I55 VanDerWaalsContact O-N 3.09Å; S53-I55 PolarHBondContact OG-N 2.65Å; I55-D57 VanDerWaalsContact C-N 3.32Å; I55-D57 PolarHBondContact O-N 3.18Å; I55-S58 PolarHBondContact O-N 3.34Å; I55-S58 VanDerWaalsContact O-N 3.16Å; I55-S58 PolarHBondContact O-OG 2.98Å; I55-I59 HydrophobicContact CG2-CD1 4.06Å; I55-I59 WeakPolarHBondContact O-CG1 3.49Å; I55-I59 PolarHBondContact O-N 3.32Å
56	M	80.9	Confident	81.4	Confident	57 Å²	57	83.5 Å²	83.5	28%	0.281	44%	0.436	S	S	.	.	H	α-helix	trans	-69.2	-33.5	-177.9	-163	57.4	64.7	0	0	111.9	F50 L51 S53 P54 S58 I59 K60	F50-M56 HydrophobicContact CB-CE 4.17Å; F50-M56 WeakPolarHBondContact O-CB 3.21Å; L51-M56 HydrophobicContact CD2-CG 3.89Å; S53-M56 WeakPolarHBondContact O-CB 3.36Å; S53-M56 PolarHBondContact O-N 3.41Å; P54-M56 VanDerWaalsContact C-N 3.35Å; M56-S58 VanDerWaalsContact C-N 3.29Å; M56-S58 PolarHBondContact O-N 3.02Å; M56-I59 PolarHBondContact O-N 3.04Å; M56-I59 HydrophobicContact SD-CB 4.47Å; M56-I59 HydrophobicContact SD-CD1 4.38Å; M56-K60 VanDerWaalsContact O-CB 3.32Å; M56-K60 WeakPolarHBondContact O-CB 3.4Å; M56-K60 PolarHBondContact O-N 3.36Å
57	D	82.2	Confident	81.9	Confident	62 Å²	62	84.4 Å²	84.4	33%	0.332	44%	0.441	S	S	.	.	H	α-helix	trans	-59.7	-39.4	171.3	-79.4	-28.7	0	0	0	112.6	S53 I55 K60 K61	S53-D57 PolarHBondContact O-N 3.28Å; I55-D57 VanDerWaalsContact C-N 3.32Å; I55-D57 PolarHBondContact O-N 3.18Å; D57-K60 IonicContact OD1-NZ 3.82Å; D57-K60 PolarHBondContact OD1-NZ 2.99Å; D57-K61 VanDerWaalsContact O-CG 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.47Å; D57-K61 PolarHBondContact O-N 3.24Å
58	S	85.5	Confident	82.5	Confident	66 Å²	66	83.5 Å²	83.5	46%	0.462	43%	0.431	S	S	.	.	H	α-helix	trans	-67.6	-40.8	177.5	77.4	0	0	0	0	112.3	P54 I55 M56 K61 M62	P54-S58 PolarHBondContact O-N 2.65Å; I55-S58 PolarHBondContact O-N 3.34Å; I55-S58 VanDerWaalsContact O-N 3.16Å; I55-S58 PolarHBondContact O-OG 2.98Å; M56-S58 VanDerWaalsContact C-N 3.29Å; M56-S58 PolarHBondContact O-N 3.02Å; S58-K61 PolarHBondContact O-N 3.13Å; S58-M62 PolarHBondContact O-N 2.03Å
59	I	84.8	Confident	83.1	Confident	83 Å²	83	85.8 Å²	85.8	43%	0.426	45%	0.45	S	S	.	.	H	α-helix	trans	-66.5	-45.1	178.1	-65	168.8	0	0	0	110.1	I55 M56 K61 M62 L63	I55-I59 HydrophobicContact CG2-CD1 4.06Å; I55-I59 WeakPolarHBondContact O-CG1 3.49Å; I55-I59 PolarHBondContact O-N 3.32Å; M56-I59 PolarHBondContact O-N 3.04Å; M56-I59 HydrophobicContact SD-CB 4.47Å; M56-I59 HydrophobicContact SD-CD1 4.38Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.26Å; I59-M62 PolarHBondContact O-N 3.41Å; I59-L63 WeakPolarHBondContact O-CB 3.25Å; I59-L63 PolarHBondContact O-N 3.21Å
60	K	82.9	Confident	83.6	Confident	27 Å²	27	84.1 Å²	84.1	12%	0.117	44%	0.441	C	S	.	.	H	α-helix	trans	-55.6	-47.6	174.2	179.5	-178.3	68.6	-161.3	0	110.8	M56 D57 M62 L63 V64 I86 D87	M56-K60 VanDerWaalsContact O-CB 3.32Å; M56-K60 WeakPolarHBondContact O-CB 3.4Å; M56-K60 PolarHBondContact O-N 3.36Å; D57-K60 IonicContact OD1-NZ 3.82Å; D57-K60 PolarHBondContact OD1-NZ 2.99Å; K60-M62 PolarHBondContact O-N 3.38Å; K60-L63 PolarHBondContact O-N 3.27Å; K60-V64 VanDerWaalsContact O-CG2 3.31Å; K60-V64 WeakPolarHBondContact O-CG2 3.28Å; K60-V64 PolarHBondContact O-N 3.43Å; K60-I86 HydrophobicContact CD-CG2 4.36Å; K60-D87 WeakPolarHBondContact CD-OD1 3.27Å; K60-D87 WeakPolarHBondContact CE-OD1 2.93Å; K60-D87 IonicContact NZ-OD1 2.8Å; K60-D87 PolarHBondContact NZ-OD1 2.8Å; K60-D87 IonicContact NZ-OD2 2.62Å; K60-D87 PolarHBondContact NZ-OD2 2.68Å
61	K	86.8	Confident	84.1	Confident	112 Å²	112	83.6 Å²	83.6	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-58.8	-48.6	178.8	-76.9	174.6	-177.4	175	0	112.5	D57 S58 I59 L63 V64 E65 Y83	D57-K61 VanDerWaalsContact O-CG 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.47Å; D57-K61 PolarHBondContact O-N 3.24Å; S58-K61 PolarHBondContact O-N 3.13Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.26Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 2.96Å; K61-V64 PolarHBondContact O-N 3.04Å; K61-E65 WeakPolarHBondContact O-CB 3.32Å; K61-E65 WeakPolarHBondContact O-CG 3.32Å; K61-E65 PolarHBondContact O-N 2.03Å; K61-Y83 HydrophobicContact CB-CE1 4.2Å; K61-Y83 HydrophobicContact CG-CD1 4.38Å; K61-Y83 HydrophobicContact CG-CE1 3.82Å
62	M	88	Confident	84.6	Confident	123 Å²	123	83.5 Å²	83.5	61%	0.606	47%	0.465	S	S	*	.	H	α-helix	trans	-59.5	-43.5	177.4	-173.3	-169	-61.9	0	0	112.2	S58 I59 K60 E65 K66	S58-M62 PolarHBondContact O-N 2.03Å; I59-M62 PolarHBondContact O-N 3.41Å; K60-M62 PolarHBondContact O-N 3.38Å; M62-E65 PolarHBondContact O-N 2.95Å; M62-K66 WeakPolarHBondContact O-CG 3.46Å; M62-K66 PolarHBondContact O-N 3.49Å
63	L	86.7	Confident	85.3	Confident	102 Å²	102	82.7 Å²	82.7	53%	0.534	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-45.4	-179.7	-175.9	64	0	0	0	111.7	I59 K60 K61 E65 K66 L67	I59-L63 WeakPolarHBondContact O-CB 3.25Å; I59-L63 PolarHBondContact O-N 3.21Å; K60-L63 PolarHBondContact O-N 3.27Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 2.96Å; L63-E65 PolarHBondContact O-N 3.42Å; L63-K66 PolarHBondContact O-N 2.85Å; L63-L67 HydrophobicContact CD1-CD1 4.19Å; L63-L67 HydrophobicContact CD1-CG 4.4Å; L63-L67 HydrophobicContact CG-CD1 3.93Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 2.8Å
64	V	88.2	Confident	85.6	Confident	5 Å²	5	86.2 Å²	86.2	3%	0.03	47%	0.469	C	S	.	.	H	α-helix	trans	-62	-43.5	176.8	171.5	0	0	0	0	110.5	K60 K61 K66 L67 C68 M79 Y83 I86	K60-V64 VanDerWaalsContact O-CG2 3.31Å; K60-V64 WeakPolarHBondContact O-CG2 3.28Å; K60-V64 PolarHBondContact O-N 3.43Å; K61-V64 PolarHBondContact O-N 3.04Å; V64-K66 VanDerWaalsContact C-N 3.29Å; V64-K66 PolarHBondContact O-N 3.4Å; V64-L67 PolarHBondContact O-N 3.17Å; V64-C68 WeakPolarHBondContact O-CB 2.96Å; V64-C68 PolarHBondContact O-N 3.39Å; V64-C68 PolarHBondContact O-SG 3.34Å; V64-M79 HydrophobicContact CG1-SD 3.8Å; V64-Y83 HydrophobicContact CB-CD1 4.1Å; V64-Y83 HydrophobicContact CB-CE1 3.7Å; V64-Y83 HydrophobicContact CG1-CD1 3.84Å; V64-Y83 HydrophobicContact CG1-CE1 3.57Å; V64-Y83 HydrophobicContact CG2-CD1 4.22Å; V64-Y83 HydrophobicContact CG2-CE1 4.27Å; V64-I86 HydrophobicContact CG2-CD1 3.98Å
65	E	88.5	Confident	86.1	Confident	100 Å²	100	87.4 Å²	87.4	47%	0.467	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-36.6	175.8	-78.3	178.4	177.9	0	0	113.3	K61 M62 L63 M79 Y83	K61-E65 WeakPolarHBondContact O-CB 3.32Å; K61-E65 WeakPolarHBondContact O-CG 3.32Å; K61-E65 PolarHBondContact O-N 2.03Å; M62-E65 PolarHBondContact O-N 2.95Å; L63-E65 PolarHBondContact O-N 3.42Å; E65-M79 HydrophobicContact CG-CE 3.61Å; E65-M79 HydrophobicContact CG-SD 4.3Å; E65-Y83 PolarHBondContact OE1-OH 3.23Å
66	K	87.9	Confident	86.3	Confident	152 Å²	152	91 Å²	91	66%	0.661	47%	0.467	S	S	*	.	H	α-helix	trans	-73.4	-40	176.7	-72.5	-70	-176	-179.8	0	112.8	M62 L63 V64 T69	M62-K66 WeakPolarHBondContact O-CG 3.46Å; M62-K66 PolarHBondContact O-N 3.49Å; L63-K66 PolarHBondContact O-N 2.85Å; V64-K66 VanDerWaalsContact C-N 3.29Å; V64-K66 PolarHBondContact O-N 3.4Å; K66-T69 WeakPolarHBondContact O-CG2 3.24Å; K66-T69 PolarHBondContact O-OG1 3.15Å
67	L	88.2	Confident	86.7	Confident	118 Å²	118	95.4 Å²	95.4	62%	0.618	48%	0.481	S	S	*	.	H	α-helix	trans	-73.1	-37.4	178.6	-71.1	171.7	0	0	0	111.6	L63 V64 T69	L63-L67 HydrophobicContact CD1-CD1 4.19Å; L63-L67 HydrophobicContact CD1-CG 4.4Å; L63-L67 HydrophobicContact CG-CD1 3.93Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 2.8Å; V64-L67 PolarHBondContact O-N 3.17Å; L67-T69 PolarHBondContact O-N 2.77Å; L67-T69 VanDerWaalsContact O-N 3.1Å
68	C	89.8	Confident	87	Confident	3 Å²	3	94.1 Å²	94.1	2%	0.02	48%	0.476	C	S	.	.			trans	-88	48.9	-179.9	-57.3	0	0	0	0	112.3	V64 L70 R75 C78 M79	V64-C68 WeakPolarHBondContact O-CB 2.96Å; V64-C68 PolarHBondContact O-N 3.39Å; V64-C68 PolarHBondContact O-SG 3.34Å; C68-L70 PolarHBondContact O-N 2.76Å; C68-R75 WeakPolarHBondContact O-CG 3.43Å; C68-R75 PolarHBondContact O-NE 2.85Å; C68-C78 WeakPolarHBondContact CA-SG 3.39Å; C68-C78 HydrophobicContact CB-CB 3.66Å; C68-C78 WeakPolarHBondContact CB-SG 3.36Å; C68-C78 WeakPolarHBondContact SG-CB 3.42Å; C68-C78 PolarHBondContact SG-O 3.04Å; C68-C78 CovalentContact SG-SG 2.03Å; C68-C78 PolarHBondContact SG-SG 2.87Å; C68-M79 HydrophobicContact CB-CG 3.88Å; C68-M79 HydrophobicContact CB-SD 3.53Å; C68-M79 VanDerWaalsContact CB-SD 3.53Å; C68-M79 PolarHBondContact SG-N 3.33Å
69	T	88.7	Confident	87.2	Confident	108 Å²	108	92.3 Å²	92.3	66%	0.663	46%	0.461	S	S	*	.			trans	-80.3	1.3	174.6	44.8	0	0	0	0	113.7	K66 L67	K66-T69 WeakPolarHBondContact O-CG2 3.24Å; K66-T69 PolarHBondContact O-OG1 3.15Å; L67-T69 PolarHBondContact O-N 2.77Å; L67-T69 VanDerWaalsContact O-N 3.1Å
70	L	84.8	Confident	87.4	Confident	92 Å²	92	93.9 Å²	93.9	48%	0.482	47%	0.466	S	S	.	.			trans	-61	151.7	176.7	-62.8	169.7	0	0	0	111.7	C68 M74 R75	C68-L70 PolarHBondContact O-N 2.76Å; L70-M74 HydrophobicContact CB-CB 4.13Å; L70-M74 HydrophobicContact CD1-CB 4.24Å; L70-R75 WeakPolarHBondContact O-CB 3.45Å; L70-R75 WeakPolarHBondContact O-CD 3.4Å
71	P	85.6	Confident	87.6	Confident	112 Å²	112	98.9 Å²	98.9	73%	0.727	48%	0.484	S	S	*	.			trans	-83.1	158	176.8	30.8	-33.5	0	0	0	113.6
72	G	84.2	Confident	87.6	Confident	63 Å²	63	93.6 Å²	93.6	65%	0.649	46%	0.462	S	S	*	.	H	α-helix	trans	64	-139.3	166.6	0	0	0	0	0	115.3	M74 R75	G72-M74 PolarHBondContact O-N 3.06Å; G72-R75 VanDerWaalsContact O-CB 3.29Å; G72-R75 WeakPolarHBondContact O-CB 3.4Å; G72-R75 PolarHBondContact O-N 2.83Å
73	I	85.8	Confident	87.4	Confident	106 Å²	106	90.6 Å²	90.6	54%	0.544	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-30.5	-175.9	-169.8	62.6	0	0	0	112.8	R75 R76 R77	I73-R75 VanDerWaalsContact C-N 3.3Å; I73-R75 PolarHBondContact O-N 3.34Å; I73-R76 PolarHBondContact O-N 2.76Å; I73-R77 PolarHBondContact O-N 2.93Å
74	M	86.1	Confident	87.2	Confident	104 Å²	104	89.9 Å²	89.9	51%	0.512	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-36.1	178.7	-64.1	-55.5	-172.5	0	0	111.2	L70 G72 R77 C78	L70-M74 HydrophobicContact CB-CB 4.13Å; L70-M74 HydrophobicContact CD1-CB 4.24Å; G72-M74 PolarHBondContact O-N 3.06Å; M74-R77 PolarHBondContact O-N 2.82Å; M74-C78 WeakPolarHBondContact O-CB 3.1Å; M74-C78 PolarHBondContact O-N 3.48Å
75	R	89.2	Confident	86.8	Confident	126 Å²	126	93 Å²	93	48%	0.475	46%	0.455	S	S	.	.	H	α-helix	trans	-56.3	-55.3	171.4	-165	160.5	175.3	-177.3	-3.9	111.2	C68 L70 G72 I73 R77 C78 M79	C68-R75 WeakPolarHBondContact O-CG 3.43Å; C68-R75 PolarHBondContact O-NE 2.85Å; L70-R75 WeakPolarHBondContact O-CB 3.45Å; L70-R75 WeakPolarHBondContact O-CD 3.4Å; G72-R75 VanDerWaalsContact O-CB 3.29Å; G72-R75 WeakPolarHBondContact O-CB 3.4Å; G72-R75 PolarHBondContact O-N 2.83Å; I73-R75 VanDerWaalsContact C-N 3.3Å; I73-R75 PolarHBondContact O-N 3.34Å; R75-R77 VanDerWaalsContact C-N 3.31Å; R75-R77 PolarHBondContact O-N 3.46Å; R75-C78 WeakPolarHBondContact O-CB 3.37Å; R75-C78 PolarHBondContact O-N 2.87Å; R75-M79 HydrophobicContact CG-CG 4.16Å; R75-M79 WeakPolarHBondContact O-CB 3.19Å; R75-M79 WeakPolarHBondContact O-CG 3.35Å; R75-M79 PolarHBondContact O-N 3.36Å
76	R	88.4	Confident	86.3	Confident	189 Å²	189	90.6 Å²	90.6	71%	0.713	45%	0.445	S	S	*	.	H	α-helix	trans	-60.7	-43	-175.2	-171.1	-177.3	-65	-173.4	-0.5	111.1	I73 M79 H80	I73-R76 PolarHBondContact O-N 2.76Å; R76-M79 PolarHBondContact O-N 3.21Å; R76-H80 WeakPolarHBondContact O-CB 3.21Å; R76-H80 PolarHBondContact O-N 3.34Å
77	R	88.8	Confident	85.7	Confident	151 Å²	151	86.3 Å²	86.3	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-63.8	-43.9	176.6	-173.7	176.6	-69.3	132.9	-3.1	111.9	I73 M74 R75 H80 W81	I73-R77 PolarHBondContact O-N 2.93Å; M74-R77 PolarHBondContact O-N 2.82Å; R75-R77 VanDerWaalsContact C-N 3.31Å; R75-R77 PolarHBondContact O-N 3.46Å; R77-H80 PolarHBondContact O-N 3.49Å; R77-W81 WeakPolarHBondContact O-CB 3.48Å; R77-W81 PolarHBondContact O-N 3.2Å
78	C	89.2	Confident	85	Confident	34 Å²	34	85.3 Å²	85.3	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-61.5	-46.3	176.3	-178.2	0	0	0	0	111.4	C68 M74 R75 W81 G82	C68-C78 WeakPolarHBondContact CA-SG 3.39Å; C68-C78 HydrophobicContact CB-CB 3.66Å; C68-C78 WeakPolarHBondContact CB-SG 3.36Å; C68-C78 WeakPolarHBondContact SG-CB 3.42Å; C68-C78 PolarHBondContact SG-O 3.04Å; C68-C78 CovalentContact SG-SG 2.03Å; C68-C78 PolarHBondContact SG-SG 2.87Å; M74-C78 WeakPolarHBondContact O-CB 3.1Å; M74-C78 PolarHBondContact O-N 3.48Å; R75-C78 WeakPolarHBondContact O-CB 3.37Å; R75-C78 PolarHBondContact O-N 2.87Å; C78-W81 PolarHBondContact O-N 3.47Å; C78-G82 PolarHBondContact O-N 2.93Å
79	M	89.3	Confident	84.1	Confident	29 Å²	29	90.1 Å²	90.1	14%	0.143	45%	0.445	C	S	.	.	H	α-helix	trans	-63.8	-44.9	179.1	-64.8	-71.3	-73.9	0	0	111.7	V64 E65 C68 R75 R76 G82 Y83	V64-M79 HydrophobicContact CG1-SD 3.8Å; E65-M79 HydrophobicContact CG-CE 3.61Å; E65-M79 HydrophobicContact CG-SD 4.3Å; C68-M79 HydrophobicContact CB-CG 3.88Å; C68-M79 HydrophobicContact CB-SD 3.53Å; C68-M79 VanDerWaalsContact CB-SD 3.53Å; C68-M79 PolarHBondContact SG-N 3.33Å; R75-M79 HydrophobicContact CG-CG 4.16Å; R75-M79 WeakPolarHBondContact O-CB 3.19Å; R75-M79 WeakPolarHBondContact O-CG 3.35Å; R75-M79 PolarHBondContact O-N 3.36Å; R76-M79 PolarHBondContact O-N 3.21Å; M79-G82 PolarHBondContact O-N 2.94Å; M79-Y83 HydrophobicContact CB-CE2 4.46Å; M79-Y83 HydrophobicContact CE-CE1 4.44Å; M79-Y83 HydrophobicContact CE-CE2 3.64Å; M79-Y83 VanDerWaalsContact CE-CZ 3.48Å; M79-Y83 WeakPolarHBondContact CE-OH 3.43Å; M79-Y83 WeakPolarHBondContact O-CB 3.2Å; M79-Y83 WeakPolarHBondContact O-CD2 3.22Å; M79-Y83 VanDerWaalsContact O-CG 3.3Å; M79-Y83 PolarHBondContact O-N 2.9Å
80	H	88.3	Confident	83.4	Confident	115 Å²	115	86.7 Å²	86.7	53%	0.532	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-45.8	176.9	179.1	57	0	0	0	111.5	R76 R77 D84	R76-H80 WeakPolarHBondContact O-CB 3.21Å; R76-H80 PolarHBondContact O-N 3.34Å; R77-H80 PolarHBondContact O-N 3.49Å; H80-D84 IonicContact CE1-OD2 3.05Å; H80-D84 PolarHBondContact CE1-OD2 3.28Å; H80-D84 IonicContact CG-OD2 3.8Å; H80-D84 IonicContact ND1-OD2 2.7Å; H80-D84 PolarHBondContact ND1-OD2 3.43Å; H80-D84 WeakPolarHBondContact O-CB 3.1Å; H80-D84 PolarHBondContact O-N 3Å
81	W	86.6	Confident	82.7	Confident	132 Å²	132	85.1 Å²	85.1	50%	0.5	42%	0.418	S	S	.	.	I	π-helix	trans	-61.7	-46.9	174.1	-174.4	89.7	0	0	0	111.3	R77 C78 Y83 Q85 I86 M89	R77-W81 WeakPolarHBondContact O-CB 3.48Å; R77-W81 PolarHBondContact O-N 3.2Å; C78-W81 PolarHBondContact O-N 3.47Å; W81-Y83 VanDerWaalsContact C-N 3.34Å; W81-Y83 PolarHBondContact O-N 3.04Å; W81-Q85 HydrophobicContact CD2-CB 4.29Å; W81-Q85 HydrophobicContact CG-CB 4.08Å; W81-Q85 HydrophobicContact CG-CG 4.09Å; W81-Q85 WeakPolarHBondContact O-CA 3.16Å; W81-Q85 WeakPolarHBondContact O-CB 3.3Å; W81-Q85 PolarHBondContact O-N 3.49Å; W81-I86 HydrophobicContact CZ3-CD1 4.35Å; W81-I86 HydrophobicContact CZ3-CG1 4.14Å; W81-I86 PolarHBondContact O-N 3.08Å; W81-M89 HydrophobicContact CZ2-CE 3.74Å; W81-M89 HydrophobicContact CZ2-SD 4.09Å
82	G	86.5	Confident	81.9	Confident	2 Å²	2	85.5 Å²	85.5	2%	0.021	41%	0.41	C	S	.	.	I	π-helix	trans	-63.7	-35.5	-178.7	0	0	0	0	0	114.1	C78 M79 I86	C78-G82 PolarHBondContact O-N 2.93Å; M79-G82 PolarHBondContact O-N 2.94Å; G82-I86 WeakPolarHBondContact O-CB 3.37Å; G82-I86 WeakPolarHBondContact O-CD1 3.49Å; G82-I86 VanDerWaalsContact O-CG1 3.23Å; G82-I86 WeakPolarHBondContact O-CG1 3.33Å
83	Y	85.3	Confident	81.1	Confident	59 Å²	59	87.5 Å²	87.5	23%	0.231	40%	0.4	C	S	.	.	I	π-helix	trans	-81.4	-45	179.8	-66.7	-23.3	0	0	0	112.9	K61 V64 E65 M79 W81	K61-Y83 HydrophobicContact CB-CE1 4.2Å; K61-Y83 HydrophobicContact CG-CD1 4.38Å; K61-Y83 HydrophobicContact CG-CE1 3.82Å; V64-Y83 HydrophobicContact CB-CD1 4.1Å; V64-Y83 HydrophobicContact CB-CE1 3.7Å; V64-Y83 HydrophobicContact CG1-CD1 3.84Å; V64-Y83 HydrophobicContact CG1-CE1 3.57Å; V64-Y83 HydrophobicContact CG2-CD1 4.22Å; V64-Y83 HydrophobicContact CG2-CE1 4.27Å; E65-Y83 PolarHBondContact OE1-OH 3.23Å; M79-Y83 HydrophobicContact CB-CE2 4.46Å; M79-Y83 HydrophobicContact CE-CE1 4.44Å; M79-Y83 HydrophobicContact CE-CE2 3.64Å; M79-Y83 VanDerWaalsContact CE-CZ 3.48Å; M79-Y83 WeakPolarHBondContact CE-OH 3.43Å; M79-Y83 WeakPolarHBondContact O-CB 3.2Å; M79-Y83 WeakPolarHBondContact O-CD2 3.22Å; M79-Y83 VanDerWaalsContact O-CG 3.3Å; M79-Y83 PolarHBondContact O-N 2.9Å; W81-Y83 VanDerWaalsContact C-N 3.34Å; W81-Y83 PolarHBondContact O-N 3.04Å
84	D	81.9	Confident	80.2	Confident	88 Å²	88	83.4 Å²	83.4	47%	0.471	38%	0.38	S	S	.	.	I	π-helix	trans	-96	-35.5	-169.1	-58.2	-38.1	0	0	0	112	H80	H80-D84 IonicContact CE1-OD2 3.05Å; H80-D84 PolarHBondContact CE1-OD2 3.28Å; H80-D84 IonicContact CG-OD2 3.8Å; H80-D84 IonicContact ND1-OD2 2.7Å; H80-D84 PolarHBondContact ND1-OD2 3.43Å; H80-D84 WeakPolarHBondContact O-CB 3.1Å; H80-D84 PolarHBondContact O-N 3Å
85	Q	78.7	Confident	79.2	Confident	70 Å²	70	86.3 Å²	86.3	33%	0.327	39%	0.39	S	S	.	.	I	π-helix	trans	-87.1	-30.3	-174.2	-59.5	-73.6	-27.2	0	0	113	W81 D87 E88 M89	W81-Q85 HydrophobicContact CD2-CB 4.29Å; W81-Q85 HydrophobicContact CG-CB 4.08Å; W81-Q85 HydrophobicContact CG-CG 4.09Å; W81-Q85 WeakPolarHBondContact O-CA 3.16Å; W81-Q85 WeakPolarHBondContact O-CB 3.3Å; W81-Q85 PolarHBondContact O-N 3.49Å; Q85-D87 VanDerWaalsContact C-N 3.29Å; Q85-D87 PolarHBondContact O-N 3.08Å; Q85-E88 PolarHBondContact O-N 2.7Å; Q85-M89 WeakPolarHBondContact O-CB 3.25Å; Q85-M89 VanDerWaalsContact O-CG 3.29Å; Q85-M89 WeakPolarHBondContact O-CG 3.05Å; Q85-M89 PolarHBondContact O-N 2.9Å
86	I	78.3	Confident	77.9	Confident	49 Å²	49	83.8 Å²	83.8	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-42.2	176.6	-65.7	-176.5	0	0	0	110	K60 V64 W81 G82 M89 V90	K60-I86 HydrophobicContact CD-CG2 4.36Å; V64-I86 HydrophobicContact CG2-CD1 3.98Å; W81-I86 HydrophobicContact CZ3-CD1 4.35Å; W81-I86 HydrophobicContact CZ3-CG1 4.14Å; W81-I86 PolarHBondContact O-N 3.08Å; G82-I86 WeakPolarHBondContact O-CB 3.37Å; G82-I86 WeakPolarHBondContact O-CD1 3.49Å; G82-I86 VanDerWaalsContact O-CG1 3.23Å; G82-I86 WeakPolarHBondContact O-CG1 3.33Å; I86-M89 PolarHBondContact O-N 3.4Å; I86-V90 HydrophobicContact CG2-CG2 4.06Å; I86-V90 VanDerWaalsContact O-CB 3.27Å; I86-V90 WeakPolarHBondContact O-CB 3.3Å; I86-V90 WeakPolarHBondContact O-CG2 3.01Å; I86-V90 PolarHBondContact O-N 2.85Å
87	D	75.2	Confident	76.4	Confident	63 Å²	63	84 Å²	84	34%	0.337	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-44.8	178.8	-73.4	-15.6	0	0	0	111.6	K60 Q85 M89 V90 V91	K60-D87 WeakPolarHBondContact CD-OD1 3.27Å; K60-D87 WeakPolarHBondContact CE-OD1 2.93Å; K60-D87 IonicContact NZ-OD1 2.8Å; K60-D87 PolarHBondContact NZ-OD1 2.8Å; K60-D87 IonicContact NZ-OD2 2.62Å; K60-D87 PolarHBondContact NZ-OD2 2.68Å; Q85-D87 VanDerWaalsContact C-N 3.29Å; Q85-D87 PolarHBondContact O-N 3.08Å; D87-M89 PolarHBondContact O-N 2.91Å; D87-V90 PolarHBondContact O-N 3.46Å; D87-V91 WeakPolarHBondContact O-CB 3.05Å; D87-V91 WeakPolarHBondContact O-CG2 3.24Å; D87-V91 PolarHBondContact O-N 3.28Å
88	E	75.1	Confident	75	Confident	97 Å²	97	78.5 Å²	78.5	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-46.8	175.5	-178.9	168.3	-167.4	0	0	111.4	Q85 V91 H92	Q85-E88 PolarHBondContact O-N 2.7Å; E88-V91 PolarHBondContact O-N 2.69Å; E88-H92 WeakPolarHBondContact O-CB 3.42Å; E88-H92 PolarHBondContact O-CD2 2.82Å; E88-H92 PolarHBondContact O-N 2.74Å; E88-H92 IonicContact OE1-NE2 2.7Å
89	M	70.8	Confident	73.8	Confident	103 Å²	103	78.1 Å²	78.1	51%	0.507	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-47.2	177.9	-74.2	-174.4	-178.5	0	0	112.5	W81 Q85 I86 D87 H92 F93	W81-M89 HydrophobicContact CZ2-CE 3.74Å; W81-M89 HydrophobicContact CZ2-SD 4.09Å; Q85-M89 WeakPolarHBondContact O-CB 3.25Å; Q85-M89 VanDerWaalsContact O-CG 3.29Å; Q85-M89 WeakPolarHBondContact O-CG 3.05Å; Q85-M89 PolarHBondContact O-N 2.9Å; I86-M89 PolarHBondContact O-N 3.4Å; D87-M89 PolarHBondContact O-N 2.91Å; M89-H92 PolarHBondContact O-N 3.46Å; M89-F93 WeakPolarHBondContact O-CB 3.34Å; M89-F93 PolarHBondContact O-N 3.29Å
90	V	72.6	Confident	73	Confident	36 Å²	36	82.1 Å²	82.1	22%	0.218	39%	0.388	C	S	.	.	H	α-helix	trans	-62.1	-47.7	177.9	166.3	0	0	0	0	110.1	L51 I86 D87 H92 F93 L94	L51-V90 HydrophobicContact CB-CG1 4.25Å; L51-V90 HydrophobicContact CD1-CG1 3.6Å; L51-V90 HydrophobicContact CD2-CG1 4.03Å; L51-V90 HydrophobicContact CG-CG1 4.14Å; I86-V90 HydrophobicContact CG2-CG2 4.06Å; I86-V90 VanDerWaalsContact O-CB 3.27Å; I86-V90 WeakPolarHBondContact O-CB 3.3Å; I86-V90 WeakPolarHBondContact O-CG2 3.01Å; I86-V90 PolarHBondContact O-N 2.85Å; D87-V90 PolarHBondContact O-N 3.46Å; V90-H92 VanDerWaalsContact C-N 3.31Å; V90-H92 PolarHBondContact O-N 3.31Å; V90-F93 PolarHBondContact O-N 3.03Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 VanDerWaalsContact O-CB 3.23Å; V90-L94 WeakPolarHBondContact O-CB 3.35Å; V90-L94 WeakPolarHBondContact O-CG 3.31Å; V90-L94 PolarHBondContact O-N 2.77Å
91	V	71.1	Confident	72.3	Confident	59 Å²	59	76.8 Å²	76.8	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-39.3	177.7	168	0	0	0	0	110.7	D87 E88 L94 K95	D87-V91 WeakPolarHBondContact O-CB 3.05Å; D87-V91 WeakPolarHBondContact O-CG2 3.24Å; D87-V91 PolarHBondContact O-N 3.28Å; E88-V91 PolarHBondContact O-N 2.69Å; V91-L94 PolarHBondContact O-N 2.8Å; V91-K95 HydrophobicContact CG1-CD 3.5Å; V91-K95 HydrophobicContact CG1-CG 3.82Å; V91-K95 WeakPolarHBondContact O-CA 3.34Å; V91-K95 WeakPolarHBondContact O-CB 3.13Å; V91-K95 VanDerWaalsContact O-CG 3.27Å; V91-K95 WeakPolarHBondContact O-CG 3.33Å; V91-K95 PolarHBondContact O-N 2.79Å
92	H	69.3	Low	72.2	Confident	121 Å²	121	70.5 Å²	70.5	56%	0.56	34%	0.34	S	S	*	.	H	α-helix	trans	-65.3	-44.7	174.7	-88.5	-69.8	0	0	0	112.5	E88 M89 V90 L94	E88-H92 WeakPolarHBondContact O-CB 3.42Å; E88-H92 PolarHBondContact O-CD2 2.82Å; E88-H92 PolarHBondContact O-N 2.74Å; E88-H92 IonicContact OE1-NE2 2.7Å; M89-H92 PolarHBondContact O-N 3.46Å; V90-H92 VanDerWaalsContact C-N 3.31Å; V90-H92 PolarHBondContact O-N 3.31Å; H92-L94 VanDerWaalsContact C-N 3.27Å; H92-L94 PolarHBondContact O-N 2.79Å
93	F	66.5	Low	72	Confident	104 Å²	104	73.9 Å²	73.9	46%	0.456	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-37.1	177.6	-170.4	-103.6	0	0	0	111.7	M89 V90 P101	M89-F93 WeakPolarHBondContact O-CB 3.34Å; M89-F93 PolarHBondContact O-N 3.29Å; V90-F93 PolarHBondContact O-N 3.03Å; F93-P101 HydrophobicContact CD1-CG 4.09Å; F93-P101 HydrophobicContact CE1-CB 3.65Å; F93-P101 HydrophobicContact CE1-CG 3.48Å; F93-P101 VanDerWaalsContact CE1-CG 3.48Å; F93-P101 HydrophobicContact CE2-CB 4.35Å; F93-P101 HydrophobicContact CE2-CG 4.05Å; F93-P101 HydrophobicContact CZ-CB 3.46Å; F93-P101 VanDerWaalsContact CZ-CB 3.46Å; F93-P101 HydrophobicContact CZ-CG 3.47Å; F93-P101 VanDerWaalsContact CZ-CG 3.47Å
94	L	66.8	Low	71.6	Confident	20 Å²	20	79.9 Å²	79.9	11%	0.105	38%	0.378	C	S	.	.	H	α-helix	trans	-90.7	-34.9	-176.8	-69.9	-174.6	0	0	0	115	V44 K48 L51 V90 V91 H92 Q96	V44-L94 HydrophobicContact CG1-CD2 4.16Å; K48-L94 HydrophobicContact CB-CD1 4.18Å; K48-L94 HydrophobicContact CD-CB 4.12Å; K48-L94 WeakPolarHBondContact CE-O 3.4Å; K48-L94 HydrophobicContact CG-CB 3.78Å; K48-L94 HydrophobicContact CG-CD1 3.55Å; K48-L94 HydrophobicContact CG-CD2 3.76Å; K48-L94 HydrophobicContact CG-CG 3.88Å; K48-L94 PolarHBondContact NZ-O 3.34Å; L51-L94 HydrophobicContact CB-CD1 4.3Å; L51-L94 HydrophobicContact CD1-CD1 3.34Å; L51-L94 HydrophobicContact CD1-CG 4.39Å; L51-L94 HydrophobicContact CG-CD1 4.4Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 VanDerWaalsContact O-CB 3.23Å; V90-L94 WeakPolarHBondContact O-CB 3.35Å; V90-L94 WeakPolarHBondContact O-CG 3.31Å; V90-L94 PolarHBondContact O-N 2.77Å; V91-L94 PolarHBondContact O-N 2.8Å; H92-L94 VanDerWaalsContact C-N 3.27Å; H92-L94 PolarHBondContact O-N 2.79Å; L94-Q96 CarbonylContact O-C 3.5Å; L94-Q96 PolarHBondContact O-N 3.48Å; L94-Q96 VanDerWaalsContact O-N 3.16Å
95	K	64.6	Low	71.3	Confident	166 Å²	166	81.9 Å²	81.9	72%	0.722	38%	0.383	S	S	*	.	H	α-helix	trans	-61.2	-22.9	175.3	-85.7	-178.7	177.2	169.3	0	111.3	V91 K97	V91-K95 HydrophobicContact CG1-CD 3.5Å; V91-K95 HydrophobicContact CG1-CG 3.82Å; V91-K95 WeakPolarHBondContact O-CA 3.34Å; V91-K95 WeakPolarHBondContact O-CB 3.13Å; V91-K95 VanDerWaalsContact O-CG 3.27Å; V91-K95 WeakPolarHBondContact O-CG 3.33Å; V91-K95 PolarHBondContact O-N 2.79Å; K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 3.45Å
96	Q	61.7	Low	71.2	Confident	72 Å²	72	85 Å²	85	34%	0.336	40%	0.401	S	S	.	.			trans	-57.9	100.2	163.1	-113.1	168.7	23.2	0	0	109.5	L94 S98 K100	L94-Q96 CarbonylContact O-C 3.5Å; L94-Q96 PolarHBondContact O-N 3.48Å; L94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-S98 VanDerWaalsContact CB-OG 3.24Å; Q96-S98 WeakPolarHBondContact CB-OG 2.92Å; Q96-S98 WeakPolarHBondContact CG-OG 3.38Å; Q96-S98 PolarHBondContact O-N 3.44Å; Q96-S98 VanDerWaalsContact O-N 3.07Å; Q96-S98 PolarHBondContact OE1-OG 2.89Å; Q96-K100 HydrophobicContact CG-CD 4.18Å
97	K	58.2	Low	71.4	Confident	193 Å²	193	85.6 Å²	85.6	84%	0.839	40%	0.404	S	S	*	.			trans	-57.9	-10.4	162	-79	-160.3	175.3	-172.5	0	112.4	K95	K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 3.45Å
98	S	58.8	Low	71.7	Confident	36 Å²	36	82.8 Å²	82.8	25%	0.252	39%	0.389	S	S	.	.	S	Bend	trans	-66.7	140.9	178.4	59.8	0	0	0	0	110.2	Q96 K100 P101	Q96-S98 VanDerWaalsContact CB-OG 3.24Å; Q96-S98 WeakPolarHBondContact CB-OG 2.92Å; Q96-S98 WeakPolarHBondContact CG-OG 3.38Å; Q96-S98 PolarHBondContact O-N 3.44Å; Q96-S98 VanDerWaalsContact O-N 3.07Å; Q96-S98 PolarHBondContact OE1-OG 2.89Å; S98-K100 PolarHBondContact O-N 2.98Å; S98-K100 VanDerWaalsContact OG-CB 3.22Å; S98-K100 WeakPolarHBondContact OG-CB 3.45Å; S98-K100 VanDerWaalsContact OG-CD 3.28Å; S98-K100 WeakPolarHBondContact OG-CD 3.47Å; S98-K100 VanDerWaalsContact OG-CG 3.25Å; S98-K100 WeakPolarHBondContact OG-CG 3.3Å; S98-K100 PolarHBondContact OG-N 2.78Å; S98-P101 WeakPolarHBondContact O-CD 3.49Å
99	S	64.7	Low	71.7	Confident	27 Å²	27	80.7 Å²	80.7	19%	0.189	39%	0.385	C	S	.	.	S	Bend	trans	-57	15.5	156.9	52.3	0	0	0	0	113.6	C102 K103	S99-C102 CarbonylContact O-C 3.52Å; S99-C102 WeakPolarHBondContact O-CA 3.45Å; S99-C102 WeakPolarHBondContact O-CB 3.26Å; S99-C102 PolarHBondContact O-N 3.4Å; S99-K103 WeakPolarHBondContact O-CB 3.08Å; S99-K103 WeakPolarHBondContact O-CG 3.26Å; S99-K103 PolarHBondContact O-N 3.23Å; S99-K103 VanDerWaalsContact OG-CE 3.25Å; S99-K103 WeakPolarHBondContact OG-CE 3.21Å
100	K	72.8	Confident	71.5	Confident	112 Å²	112	79.7 Å²	79.7	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-54.8	-45	-179.3	-83	172.3	-179.7	-174.2	0	113.8	Q96 S98 C102 K103 Y104	Q96-K100 HydrophobicContact CG-CD 4.18Å; S98-K100 PolarHBondContact O-N 2.98Å; S98-K100 VanDerWaalsContact OG-CB 3.22Å; S98-K100 WeakPolarHBondContact OG-CB 3.45Å; S98-K100 VanDerWaalsContact OG-CD 3.28Å; S98-K100 WeakPolarHBondContact OG-CD 3.47Å; S98-K100 VanDerWaalsContact OG-CG 3.25Å; S98-K100 WeakPolarHBondContact OG-CG 3.3Å; S98-K100 PolarHBondContact OG-N 2.78Å; K100-C102 VanDerWaalsContact C-N 3.29Å; K100-C102 PolarHBondContact O-N 3.02Å; K100-K103 PolarHBondContact O-N 3.46Å; K100-Y104 WeakPolarHBondContact O-CB 3.42Å; K100-Y104 PolarHBondContact O-N 3.44Å
101	P	73.7	Confident	70.5	Confident	3 Å²	3	84 Å²	84	2%	0.019	41%	0.407	C	S	.	.	H	α-helix	trans	-56.4	-46.4	171.4	-26.1	35.9	0	0	0	111.5	V44 F93 S98 Y104 F105	V44-P101 HydrophobicContact CG2-CB 4.02Å; V44-P101 HydrophobicContact CG2-CG 4.49Å; F93-P101 HydrophobicContact CD1-CG 4.09Å; F93-P101 HydrophobicContact CE1-CB 3.65Å; F93-P101 HydrophobicContact CE1-CG 3.48Å; F93-P101 VanDerWaalsContact CE1-CG 3.48Å; F93-P101 HydrophobicContact CE2-CB 4.35Å; F93-P101 HydrophobicContact CE2-CG 4.05Å; F93-P101 HydrophobicContact CZ-CB 3.46Å; F93-P101 VanDerWaalsContact CZ-CB 3.46Å; F93-P101 HydrophobicContact CZ-CG 3.47Å; F93-P101 VanDerWaalsContact CZ-CG 3.47Å; S98-P101 WeakPolarHBondContact O-CD 3.49Å; P101-Y104 WeakPolarHBondContact O-CB 3.32Å; P101-Y104 PolarHBondContact O-N 3.1Å; P101-F105 WeakPolarHBondContact O-CD2 3.32Å; P101-F105 PolarHBondContact O-N 3.39Å
102	C	83.1	Confident	69.4	Low	0 Å²	0	87.6 Å²	87.6	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-69.1	-38.3	-179.4	-58.3	0	0	0	0	113.3	C40 S99 K100 F105 L106 L107 C108	C40-C102 HydrophobicContact CB-CB 3.76Å; C40-C102 WeakPolarHBondContact CB-SG 3.3Å; C40-C102 WeakPolarHBondContact SG-CA 3.43Å; C40-C102 WeakPolarHBondContact SG-CB 3.43Å; C40-C102 CovalentContact SG-SG 2.03Å; C40-C102 PolarHBondContact SG-SG 3.15Å; S99-C102 CarbonylContact O-C 3.52Å; S99-C102 WeakPolarHBondContact O-CA 3.45Å; S99-C102 WeakPolarHBondContact O-CB 3.26Å; S99-C102 PolarHBondContact O-N 3.4Å; K100-C102 VanDerWaalsContact C-N 3.29Å; K100-C102 PolarHBondContact O-N 3.02Å; C102-F105 CarbonylContact O-C 3.44Å; C102-F105 PolarHBondContact O-N 3.49Å; C102-L106 PolarHBondContact O-N 3.37Å; C102-L107 HydrophobicContact CB-CB 4.41Å; C102-L107 PolarHBondContact O-N 3.04Å; C102-C108 HydrophobicContact CB-CB 4.1Å; C102-C108 WeakPolarHBondContact CB-SG 3.46Å; C102-C108 PolarHBondContact O-N 3.17Å
103	K	82.7	Confident	68	Low	74 Å²	74	87.4 Å²	87.4	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-39.3	172.7	-75.3	-178.5	170.1	-168.1	0	111	S99 K100 F105 L106 C108 S109 T110	S99-K103 WeakPolarHBondContact O-CB 3.08Å; S99-K103 WeakPolarHBondContact O-CG 3.26Å; S99-K103 PolarHBondContact O-N 3.23Å; S99-K103 VanDerWaalsContact OG-CE 3.25Å; S99-K103 WeakPolarHBondContact OG-CE 3.21Å; K100-K103 PolarHBondContact O-N 3.46Å; K103-F105 VanDerWaalsContact C-N 3.32Å; K103-L106 PolarHBondContact O-N 3.24Å; K103-C108 HydrophobicContact CG-CB 4Å; K103-S109 VanDerWaalsContact CE-O 3.3Å; K103-S109 WeakPolarHBondContact CE-O 3.35Å; K103-T110 HydrophobicContact CB-CG2 4.3Å; K103-T110 HydrophobicContact CG-CG2 4.49Å
104	Y	76	Confident	66.6	Low	185 Å²	185	95 Å²	95	73%	0.725	48%	0.478	S	S	*	.	H	α-helix	trans	-61.5	-42.6	174.2	177	-92	0	0	0	111	K100 P101 L106	K100-Y104 WeakPolarHBondContact O-CB 3.42Å; K100-Y104 PolarHBondContact O-N 3.44Å; P101-Y104 WeakPolarHBondContact O-CB 3.32Å; P101-Y104 PolarHBondContact O-N 3.1Å; Y104-L106 PolarHBondContact O-N 3.17Å
105	F	76.8	Confident	66.6	Low	130 Å²	130	98.8 Å²	98.8	57%	0.57	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	6.5	173.4	-69	-65.2	0	0	0	114.1	P101 C102 K103 L107	P101-F105 WeakPolarHBondContact O-CD2 3.32Å; P101-F105 PolarHBondContact O-N 3.39Å; C102-F105 CarbonylContact O-C 3.44Å; C102-F105 PolarHBondContact O-N 3.49Å; K103-F105 VanDerWaalsContact C-N 3.32Å; F105-L107 HydrophobicContact CB-CD1 3.95Å; F105-L107 HydrophobicContact CB-CG 3.99Å; F105-L107 PolarHBondContact O-N 3.14Å; F105-L107 VanDerWaalsContact O-N 3.15Å
106	L	77.3	Confident	66.7	Low	136 Å²	136	95.2 Å²	95.2	71%	0.712	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	21.9	-177.5	-54.5	172.4	0	0	0	114.5	C102 K103 Y104	C102-L106 PolarHBondContact O-N 3.37Å; K103-L106 PolarHBondContact O-N 3.24Å; Y104-L106 PolarHBondContact O-N 3.17Å
107	L	81.4	Confident	66.9	Low	60 Å²	60	96.5 Å²	96.5	31%	0.314	49%	0.494	S	S	.	.	S	Bend	trans	-86.1	-15.6	176.9	-62.6	173.2	0	0	0	112.9	Q36 C37 C40 C102 F105	Q36-L107 CarbonylContact C-O 3.44Å; C37-L107 WeakPolarHBondContact CA-O 3.37Å; C37-L107 WeakPolarHBondContact CB-O 3.27Å; C37-L107 PolarHBondContact N-O 3.47Å; C40-L107 HydrophobicContact CB-CB 3.98Å; C40-L107 HydrophobicContact CB-CD1 3.81Å; C102-L107 HydrophobicContact CB-CB 4.41Å; C102-L107 PolarHBondContact O-N 3.04Å; F105-L107 HydrophobicContact CB-CD1 3.95Å; F105-L107 HydrophobicContact CB-CG 3.99Å; F105-L107 PolarHBondContact O-N 3.14Å; F105-L107 VanDerWaalsContact O-N 3.15Å
108	C	80.8	Confident	67.5	Low	4 Å²	4	90.8 Å²	90.8	3%	0.027	47%	0.473	C	S	.	.	S	Bend	trans	-123.8	133.3	167.7	-65.3	0	0	0	0	107.5	C37 C102 K103 T110	C37-C108 WeakPolarHBondContact CA-SG 3.44Å; C37-C108 HydrophobicContact CB-CB 3.88Å; C37-C108 WeakPolarHBondContact CB-SG 3.45Å; C37-C108 WeakPolarHBondContact SG-CB 3.27Å; C37-C108 CovalentContact SG-SG 2.03Å; C37-C108 PolarHBondContact SG-SG 3.49Å; C102-C108 HydrophobicContact CB-CB 4.1Å; C102-C108 WeakPolarHBondContact CB-SG 3.46Å; C102-C108 PolarHBondContact O-N 3.17Å; K103-C108 HydrophobicContact CG-CB 4Å; C108-T110 PolarHBondContact O-N 3.32Å
109	S	75.1	Confident	68	Low	53 Å²	53	94.3 Å²	94.3	37%	0.371	49%	0.487	S	S	.	.			trans	-49.9	136.8	171.3	-79.7	0	0	0	0	111.8	N33 K103 N111	N33-S109 PolarHBondContact ND2-OG 3.48Å; K103-S109 VanDerWaalsContact CE-O 3.3Å; K103-S109 WeakPolarHBondContact CE-O 3.35Å; S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 VanDerWaalsContact CB-O 3.27Å; S109-N111 WeakPolarHBondContact CB-O 3.36Å
110	T	66.5	Low	68.2	Low	82 Å²	82	98.7 Å²	98.7	50%	0.503	51%	0.507	S	S	.	.	S	Bend	trans	-73.2	-22.4	174.3	47.3	0	0	0	0	112.1	K103 C108	K103-T110 HydrophobicContact CB-CG2 4.3Å; K103-T110 HydrophobicContact CG-CG2 4.49Å; C108-T110 PolarHBondContact O-N 3.32Å
111	N	53.5	Low	67.9	Low	126 Å²	126	97.8 Å²	97.8	67%	0.674	51%	0.508	S	S	*	.	S	Bend	trans	-132.8	149	-175.1	-57.7	-32.8	0	0	0	109.9	S109	S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 VanDerWaalsContact CB-O 3.27Å; S109-N111 WeakPolarHBondContact CB-O 3.36Å
112	T	46.1	Very low	67.5	Low	136 Å²	136	105.1 Å²	105.1	83%	0.834	55%	0.546	S	S	*	.	S	Bend	trans	82.4	111.2	-172.3	68.9	0	0	0	0	114.1
113	S	41.2	Very low	66.2	Low	116 Å²	116	113.8 Å²	113.8	81%	0.811	59%	0.591	S	S	*	*			cis	-139.4	144.8	6.1	47.8	0	0	0	0	109.4
114	Q	36.4	Very low	64.6	Low	264 Å²	264	117.5 Å²	117.5	100%	1.234	62%	0.616	S	S	*	*			trans	-56.1	0	166.3	-165.4	165.9	-10.3	0	0	112

Retrieved 114 of 114 residues in 30.5 ms (Link to these results)

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