C4QMW5_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession C4QMW5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 aa.

						>C4QMW5_SCHMA|C4QMW5
MKLILLFILLIFLNVDLSKETPIDSGNSTEKNMDCEMKVIKGIQQLIIQSSGQNQTLIESILKTDNLEGKLHGLIATFISSIGEQINGQDSP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50	Low	56.1	Low	213 Å²	213	106.6 Å²	106.6	100%	1.049	53%	0.528	S	S	*	.				0	-47	0	-66	-159.8	-159.1	0	113.8	L3 I4	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.22Å; M1-I4 PolarHBondContact O-N 3.01Å
2	K	55.6	Low	56.2	Low	194 Å²	194	101.8 Å²	101.8	84%	0.843	50%	0.502	S	S	*	.	H	α-helix	trans	-57.4	-34.7	-179	-69	-178.9	176.6	177.9	114.7	L6	K2-L6 WeakPolarHBondContact O-CB 3.17Å; K2-L6 PolarHBondContact O-N 2.76Å
3	L	43.2	Very low	55.8	Low	138 Å²	138	101.7 Å²	101.7	72%	0.723	50%	0.504	S	S	*	.	H	α-helix	trans	-67.8	-35.6	-177.7	-167.9	65.9	0	0	113.6	M1 L6 F7	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.22Å; L3-L6 PolarHBondContact O-N 3.26Å; L3-F7 WeakPolarHBondContact O-CB 3.21Å; L3-F7 PolarHBondContact O-N 3.2Å
4	I	52.5	Low	55.2	Low	63 Å²	63	102 Å²	102	32%	0.323	51%	0.508	S	S	.	.	H	α-helix	trans	-73.1	-43.7	-179.5	-66	157.3	0	0	110.3	M1 L6 F7 I8 L57 I61	M1-I4 PolarHBondContact O-N 3.01Å; I4-L6 VanDerWaalsContact C-N 3.26Å; I4-L6 PolarHBondContact O-N 2.77Å; I4-F7 WeakPolarHBondContact O-CB 3.49Å; I4-F7 PolarHBondContact O-N 3.47Å; I4-F7 VanDerWaalsContact O-N 3.12Å; I4-I8 HydrophobicContact CG2-CD1 4.1Å; I4-I8 WeakPolarHBondContact O-CG1 3.43Å; I4-I8 PolarHBondContact O-N 2.96Å; I4-L57 HydrophobicContact CD1-CD2 3.96Å; I4-L57 HydrophobicContact CG1-CD2 4.15Å; I4-I61 HydrophobicContact CD1-CD1 3.93Å; I4-I61 HydrophobicContact CG1-CD1 4.41Å; I4-I61 HydrophobicContact CG2-CD1 4Å
5	L	52.7	Low	54.6	Low	114 Å²	114	97.5 Å²	97.5	60%	0.597	49%	0.489	S	S	*	.	H	α-helix	trans	-61.4	-40.9	175.7	-167.6	73.5	0	0	110.5	F7 I8 L9	L5-F7 VanDerWaalsContact C-N 3.34Å; L5-I8 PolarHBondContact O-N 3.41Å; L5-L9 HydrophobicContact CG-CD1 4.39Å; L5-L9 WeakPolarHBondContact O-CB 3.2Å; L5-L9 PolarHBondContact O-N 3.49Å
6	L	57.6	Low	54	Low	98 Å²	98	96.1 Å²	96.1	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-41.6	173.7	-170.5	72.4	0	0	111.6	K2 L3 I4 L9 L10	K2-L6 WeakPolarHBondContact O-CB 3.17Å; K2-L6 PolarHBondContact O-N 2.76Å; L3-L6 PolarHBondContact O-N 3.26Å; I4-L6 VanDerWaalsContact C-N 3.26Å; I4-L6 PolarHBondContact O-N 2.77Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 HydrophobicContact CG-CG 4.46Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; L6-L10 PolarHBondContact O-N 2.82Å
7	F	59.7	Low	53.1	Low	88 Å²	88	97.9 Å²	97.9	39%	0.386	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-43.3	178.4	-162.9	-104.2	0	0	112	L3 I4 L5 L10 I11 L46	L3-F7 WeakPolarHBondContact O-CB 3.21Å; L3-F7 PolarHBondContact O-N 3.2Å; I4-F7 WeakPolarHBondContact O-CB 3.49Å; I4-F7 PolarHBondContact O-N 3.47Å; I4-F7 VanDerWaalsContact O-N 3.12Å; L5-F7 VanDerWaalsContact C-N 3.34Å; F7-L10 PolarHBondContact O-N 3.17Å; F7-I11 HydrophobicContact CD1-CD1 3.77Å; F7-I11 HydrophobicContact CD1-CG1 4.49Å; F7-I11 HydrophobicContact CE1-CD1 3.82Å; F7-I11 HydrophobicContact CE1-CG1 4.49Å; F7-I11 VanDerWaalsContact O-CG1 3.28Å; F7-I11 WeakPolarHBondContact O-CG1 3.22Å; F7-I11 PolarHBondContact O-N 2.78Å; F7-L46 HydrophobicContact CE1-CD2 3.55Å; F7-L46 HydrophobicContact CE1-CG 4.26Å; F7-L46 HydrophobicContact CZ-CD1 4.38Å; F7-L46 HydrophobicContact CZ-CD2 3.5Å; F7-L46 VanDerWaalsContact CZ-CD2 3.5Å; F7-L46 HydrophobicContact CZ-CG 3.95Å
8	I	62.9	Low	52.5	Low	57 Å²	57	97.6 Å²	97.6	29%	0.292	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.4	-66.2	171.5	0	0	110.5	I4 L5 L10 I11 F12	I4-I8 HydrophobicContact CG2-CD1 4.1Å; I4-I8 WeakPolarHBondContact O-CG1 3.43Å; I4-I8 PolarHBondContact O-N 2.96Å; L5-I8 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 2.8Å; I8-I11 WeakPolarHBondContact O-CB 3.36Å; I8-I11 PolarHBondContact O-N 3.3Å; I8-F12 HydrophobicContact CG2-CD2 3.73Å; I8-F12 HydrophobicContact CG2-CE2 3.45Å; I8-F12 VanDerWaalsContact CG2-CE2 3.45Å; I8-F12 WeakPolarHBondContact O-CD2 3.08Å; I8-F12 PolarHBondContact O-N 2.85Å
9	L	61.6	Low	52.1	Low	92 Å²	92	95.9 Å²	95.9	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-41.1	175.5	-118.5	116.5	0	0	112.2	L5 L6 F12 L13	L5-L9 HydrophobicContact CG-CD1 4.39Å; L5-L9 WeakPolarHBondContact O-CB 3.2Å; L5-L9 PolarHBondContact O-N 3.49Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-F12 PolarHBondContact O-N 3.06Å; L9-L13 HydrophobicContact CD2-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.25Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 2.87Å
10	L	60.8	Low	51.5	Low	79 Å²	79	99.9 Å²	99.9	41%	0.414	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-36.7	176.9	-76.1	169.7	0	0	111.6	L6 F7 I8 N14	L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 HydrophobicContact CG-CG 4.46Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; L6-L10 PolarHBondContact O-N 2.82Å; F7-L10 PolarHBondContact O-N 3.17Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 2.8Å; L10-N14 VanDerWaalsContact O-CB 3.28Å; L10-N14 WeakPolarHBondContact O-CB 3.42Å; L10-N14 VanDerWaalsContact O-CG 3.32Å; L10-N14 PolarHBondContact O-N 3.31Å; L10-N14 PolarHBondContact O-ND2 3.45Å
11	I	60	Low	50.8	Low	37 Å²	37	100.1 Å²	100.1	19%	0.19	51%	0.514	C	S	.	.	H	α-helix	trans	-61.2	-48.3	172.5	-68.6	163.4	0	0	109.4	F7 I8 N14 V15 I43 L46	F7-I11 HydrophobicContact CD1-CD1 3.77Å; F7-I11 HydrophobicContact CD1-CG1 4.49Å; F7-I11 HydrophobicContact CE1-CD1 3.82Å; F7-I11 HydrophobicContact CE1-CG1 4.49Å; F7-I11 VanDerWaalsContact O-CG1 3.28Å; F7-I11 WeakPolarHBondContact O-CG1 3.22Å; F7-I11 PolarHBondContact O-N 2.78Å; I8-I11 WeakPolarHBondContact O-CB 3.36Å; I8-I11 PolarHBondContact O-N 3.3Å; I11-N14 PolarHBondContact O-N 3.39Å; I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 WeakPolarHBondContact O-CB 3.16Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.32Å; I11-V15 PolarHBondContact O-N 2.92Å; I11-I43 HydrophobicContact CG2-CG1 4.23Å; I11-L46 HydrophobicContact CD1-CD2 3.81Å; I11-L46 HydrophobicContact CG1-CD2 3.87Å
12	F	57.7	Low	50.5	Low	48 Å²	48	95.9 Å²	95.9	21%	0.211	50%	0.502	C	S	.	.	H	α-helix	trans	-60.5	-48.7	177.4	-77.7	-68.2	0	0	111.9	I8 L9 N14 V15 D16 L71 L74	I8-F12 HydrophobicContact CG2-CD2 3.73Å; I8-F12 HydrophobicContact CG2-CE2 3.45Å; I8-F12 VanDerWaalsContact CG2-CE2 3.45Å; I8-F12 WeakPolarHBondContact O-CD2 3.08Å; I8-F12 PolarHBondContact O-N 2.85Å; L9-F12 PolarHBondContact O-N 3.06Å; F12-N14 PolarHBondContact O-N 3.49Å; F12-V15 PolarHBondContact O-N 3.26Å; F12-D16 WeakPolarHBondContact O-CB 3.37Å; F12-D16 PolarHBondContact O-N 3.2Å; F12-L71 HydrophobicContact CZ-CD1 4.25Å; F12-L74 HydrophobicContact CZ-CB 4.08Å
13	L	51	Low	49.8	Very low	101 Å²	101	91 Å²	91	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-40	179.3	-74.8	168.3	0	0	113	L9 D16 L17	L9-L13 HydrophobicContact CD2-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.25Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 2.87Å; L13-D16 PolarHBondContact O-N 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 PolarHBondContact O-N 2.88Å
14	N	46.9	Very low	49.8	Very low	106 Å²	106	90.1 Å²	90.1	57%	0.567	48%	0.48	S	S	*	.	H	α-helix	trans	-71.5	-35.4	177.8	-76.4	-54.8	0	0	112.1	L10 I11 F12 S18	L10-N14 VanDerWaalsContact O-CB 3.28Å; L10-N14 WeakPolarHBondContact O-CB 3.42Å; L10-N14 VanDerWaalsContact O-CG 3.32Å; L10-N14 PolarHBondContact O-N 3.31Å; L10-N14 PolarHBondContact O-ND2 3.45Å; I11-N14 PolarHBondContact O-N 3.39Å; F12-N14 PolarHBondContact O-N 3.49Å; N14-S18 PolarHBondContact O-N 3Å
15	V	47	Very low	49.5	Very low	35 Å²	35	92.2 Å²	92.2	21%	0.212	50%	0.5	C	S	.	.	H	α-helix	trans	-67.3	-40	173.9	166	0	0	0	110.9	I11 F12 V39 F78	I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 WeakPolarHBondContact O-CB 3.16Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.32Å; I11-V15 PolarHBondContact O-N 2.92Å; F12-V15 PolarHBondContact O-N 3.26Å; V15-V39 HydrophobicContact CG1-CG2 3.74Å; V15-V39 HydrophobicContact CG2-CG2 4.4Å; V15-F78 HydrophobicContact CG1-CE1 4.11Å
16	D	44.2	Very low	49.3	Very low	74 Å²	74	90 Å²	90	40%	0.396	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-49.4	174.1	-124.3	-48.8	0	0	111.3	F12 L13 S18 K19 F78	F12-D16 WeakPolarHBondContact O-CB 3.37Å; F12-D16 PolarHBondContact O-N 3.2Å; L13-D16 PolarHBondContact O-N 3.29Å; D16-S18 VanDerWaalsContact C-N 3.27Å; D16-S18 PolarHBondContact O-N 2.86Å; D16-K19 PolarHBondContact O-N 3.24Å; D16-K19 VanDerWaalsContact O-N 3.09Å; D16-F78 HydrophobicContact CB-CZ 4.23Å; D16-F78 VanDerWaalsContact CG-CZ 3.48Å; D16-F78 WeakPolarHBondContact OD2-CE2 3.34Å; D16-F78 WeakPolarHBondContact OD2-CZ 3.25Å
17	L	38.9	Very low	48.8	Very low	127 Å²	127	89 Å²	89	67%	0.665	50%	0.501	S	S	*	.	H	α-helix	trans	-67.5	-28.8	-175.7	-153.9	72.8	0	0	112.7	L13 K19	L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 PolarHBondContact O-N 2.88Å; L17-K19 PolarHBondContact O-N 3.3Å
18	S	42.4	Very low	48.4	Very low	93 Å²	93	89.2 Å²	89.2	65%	0.65	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.3	177.5	-167.6	0	0	0	113.5	N14 D16	N14-S18 PolarHBondContact O-N 3Å; D16-S18 VanDerWaalsContact C-N 3.27Å; D16-S18 PolarHBondContact O-N 2.86Å
19	K	44.8	Very low	47.8	Very low	65 Å²	65	90.9 Å²	90.9	28%	0.283	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	6.5	-177.7	-80.8	-175.5	178.1	-177.3	115.1	D16 L17 T21 C35 I82	D16-K19 PolarHBondContact O-N 3.24Å; D16-K19 VanDerWaalsContact O-N 3.09Å; L17-K19 PolarHBondContact O-N 3.3Å; K19-T21 PolarHBondContact O-N 3Å; K19-C35 WeakPolarHBondContact CE-SG 3.46Å; K19-C35 PolarHBondContact NZ-SG 3.46Å; K19-I82 HydrophobicContact CD-CD1 3.67Å; K19-I82 VanDerWaalsContact NZ-CD1 3.26Å
20	E	40.6	Very low	47.4	Very low	175 Å²	175	92.5 Å²	92.5	82%	0.818	53%	0.531	S	S	*	.			trans	-68.8	63.9	159.9	-70	-168.7	108.6	0	110.5
21	T	37.5	Very low	46.9	Very low	105 Å²	105	93.5 Å²	93.5	64%	0.644	53%	0.532	S	S	*	.	S	Bend	trans	-127.5	135	166.8	45.3	0	0	0	109.2	K19	K19-T21 PolarHBondContact O-N 3Å
22	P	42.1	Very low	46.6	Very low	125 Å²	125	94.7 Å²	94.7	81%	0.812	54%	0.539	S	S	*	.			trans	-68.8	138.8	-157.8	25.1	-33.6	0	0	112.8	D24	P22-D24 PolarHBondContact O-N 2.87Å
23	I	42	Very low	46.7	Very low	92 Å²	92	97.9 Å²	97.9	47%	0.472	56%	0.556	S	S	.	*			trans	-50.3	119.6	175.6	-61.5	161.8	0	0	109.4	I86	I23-I86 HydrophobicContact CD1-CG2 3.88Å; I23-I86 HydrophobicContact CG1-CG2 3.9Å; I23-I86 HydrophobicContact CG2-CG2 4.25Å
24	D	42.9	Very low	47.2	Very low	119 Å²	119	96.8 Å²	96.8	64%	0.636	55%	0.55	S	S	*	*			trans	-120.1	107.2	161.2	-167	-1.8	0	0	106.3	P22 G26 K31	P22-D24 PolarHBondContact O-N 2.87Å; D24-G26 PolarHBondContact O-N 3.09Å; D24-K31 WeakPolarHBondContact O-CE 3.22Å; D24-K31 PolarHBondContact O-NZ 3.42Å
25	S	47.3	Very low	47.5	Very low	106 Å²	106	92.7 Å²	92.7	74%	0.741	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	13	-160.7	50.6	0	0	0	114.8	N27	S25-N27 PolarHBondContact O-N 2.88Å
26	G	46.6	Very low	47.9	Very low	69 Å²	69	94 Å²	94	71%	0.711	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.1	-169.3	0	0	0	0	118.5	D24	D24-G26 PolarHBondContact O-N 3.09Å
27	N	48.3	Very low	48.9	Very low	76 Å²	76	95.2 Å²	95.2	41%	0.406	54%	0.538	S	S	.	.			trans	-162	61.1	-171	-150.3	-2	0	0	114.7	S25 T29 E30 K31	S25-N27 PolarHBondContact O-N 2.88Å; N27-T29 VanDerWaalsContact C-N 3.28Å; N27-T29 PolarHBondContact O-N 3.34Å; N27-E30 HydrophobicContact CB-CB 4.42Å; N27-E30 PolarHBondContact ND2-OE2 2.75Å; N27-E30 PolarHBondContact O-N 3.26Å; N27-K31 WeakPolarHBondContact O-CG 3.46Å; N27-K31 PolarHBondContact O-N 2.84Å
28	S	51	Low	49.9	Very low	92 Å²	92	95.4 Å²	95.4	64%	0.643	53%	0.534	S	S	*	.	H	α-helix	trans	-56	-35	-169.6	65.5	0	0	0	114.8	N32	S28-N32 VanDerWaalsContact O-CB 3.27Å; S28-N32 WeakPolarHBondContact O-CB 3.45Å; S28-N32 PolarHBondContact O-N 3.44Å
29	T	51	Low	50.8	Low	92 Å²	92	91.8 Å²	91.8	56%	0.564	51%	0.508	S	S	*	.	H	α-helix	trans	-75.2	-40.7	-178.3	-57.4	0	0	0	111.9	N27 N32 M33	N27-T29 VanDerWaalsContact C-N 3.28Å; N27-T29 PolarHBondContact O-N 3.34Å; T29-N32 PolarHBondContact O-N 3.48Å; T29-M33 HydrophobicContact CG2-CE 3.67Å; T29-M33 PolarHBondContact O-N 2.87Å
30	E	51.7	Low	51.6	Low	126 Å²	126	91.1 Å²	91.1	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-40.3	177.1	-166.5	173.4	160.1	0	111.2	N27 N32 M33 D34	N27-E30 HydrophobicContact CB-CB 4.42Å; N27-E30 PolarHBondContact ND2-OE2 2.75Å; N27-E30 PolarHBondContact O-N 3.26Å; E30-N32 VanDerWaalsContact C-N 3.27Å; E30-N32 PolarHBondContact O-N 3.12Å; E30-M33 PolarHBondContact O-N 2.93Å; E30-D34 WeakPolarHBondContact O-CB 3.2Å; E30-D34 PolarHBondContact O-N 3.27Å
31	K	51.1	Low	52.6	Low	100 Å²	100	88 Å²	88	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-62.2	-35.7	174.2	-73	-170.6	173.6	-163.2	112.6	D24 N27 C35	D24-K31 WeakPolarHBondContact O-CE 3.22Å; D24-K31 PolarHBondContact O-NZ 3.42Å; N27-K31 WeakPolarHBondContact O-CG 3.46Å; N27-K31 PolarHBondContact O-N 2.84Å; K31-C35 WeakPolarHBondContact O-CB 3.48Å; K31-C35 PolarHBondContact O-N 2.92Å
32	N	52.7	Low	53.8	Low	62 Å²	62	84.6 Å²	84.6	33%	0.332	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-51.5	176.6	-172.9	0.8	0	0	111.3	S28 T29 E30 D34 C35 E36 I79	S28-N32 VanDerWaalsContact O-CB 3.27Å; S28-N32 WeakPolarHBondContact O-CB 3.45Å; S28-N32 PolarHBondContact O-N 3.44Å; T29-N32 PolarHBondContact O-N 3.48Å; E30-N32 VanDerWaalsContact C-N 3.27Å; E30-N32 PolarHBondContact O-N 3.12Å; N32-D34 VanDerWaalsContact C-N 3.3Å; N32-D34 PolarHBondContact O-N 2.95Å; N32-C35 WeakPolarHBondContact O-CA 3.18Å; N32-C35 VanDerWaalsContact O-CB 3.31Å; N32-C35 WeakPolarHBondContact O-CB 2.89Å; N32-C35 PolarHBondContact O-N 3.32Å; N32-E36 PolarHBondContact O-N 3.3Å; N32-I79 VanDerWaalsContact ND2-CG2 3.3Å; N32-I79 WeakPolarHBondContact ND2-CG2 3.49Å; N32-I79 WeakPolarHBondContact OD1-CG2 3.32Å
33	M	60.8	Low	54.8	Low	115 Å²	115	80 Å²	80	57%	0.567	45%	0.445	S	S	*	.	H	α-helix	trans	-60.5	-39	176.5	-77	-173.4	-108.1	0	112.6	T29 E30 C35 E36 M37	T29-M33 HydrophobicContact CG2-CE 3.67Å; T29-M33 PolarHBondContact O-N 2.87Å; E30-M33 PolarHBondContact O-N 2.93Å; M33-C35 VanDerWaalsContact C-N 3.29Å; M33-C35 PolarHBondContact O-N 3.5Å; M33-E36 PolarHBondContact O-N 3.07Å; M33-M37 WeakPolarHBondContact O-CB 3.45Å; M33-M37 PolarHBondContact O-N 3.46Å
34	D	60.4	Low	55.5	Low	78 Å²	78	80.8 Å²	80.8	42%	0.417	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-39	174.7	-177.9	64	0	0	111.5	E30 N32 K38	E30-D34 WeakPolarHBondContact O-CB 3.2Å; E30-D34 PolarHBondContact O-N 3.27Å; N32-D34 VanDerWaalsContact C-N 3.3Å; N32-D34 PolarHBondContact O-N 2.95Å; D34-K38 WeakPolarHBondContact O-CB 3.33Å; D34-K38 VanDerWaalsContact O-CG 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.42Å; D34-K38 PolarHBondContact O-N 3.25Å; D34-K38 IonicContact OD1-NZ 2.65Å; D34-K38 WeakPolarHBondContact OD2-CE 3.4Å; D34-K38 IonicContact OD2-NZ 3.9Å; D34-K38 PolarHBondContact OD2-NZ 2.83Å
35	C	55.1	Low	56.3	Low	21 Å²	21	81.1 Å²	81.1	14%	0.142	44%	0.444	C	S	.	.	H	α-helix	trans	-64.8	-50.2	174.7	-180	0	0	0	112.3	K19 K31 N32 M33 M37 K38 V39	K19-C35 WeakPolarHBondContact CE-SG 3.46Å; K19-C35 PolarHBondContact NZ-SG 3.46Å; K31-C35 WeakPolarHBondContact O-CB 3.48Å; K31-C35 PolarHBondContact O-N 2.92Å; N32-C35 WeakPolarHBondContact O-CA 3.18Å; N32-C35 VanDerWaalsContact O-CB 3.31Å; N32-C35 WeakPolarHBondContact O-CB 2.89Å; N32-C35 PolarHBondContact O-N 3.32Å; M33-C35 VanDerWaalsContact C-N 3.29Å; M33-C35 PolarHBondContact O-N 3.5Å; C35-M37 VanDerWaalsContact C-N 3.28Å; C35-M37 PolarHBondContact O-N 3.23Å; C35-K38 PolarHBondContact O-N 2.87Å; C35-V39 WeakPolarHBondContact O-CG2 3.42Å; C35-V39 PolarHBondContact O-N 3.24Å
36	E	54.5	Low	56.9	Low	63 Å²	63	78.8 Å²	78.8	29%	0.294	42%	0.424	S	S	.	.	H	α-helix	trans	-54.2	-49	176.5	-74	-173.1	162.2	0	110.6	N32 M33 K38 V39 I40 I75 I79	N32-E36 PolarHBondContact O-N 3.3Å; M33-E36 PolarHBondContact O-N 3.07Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 3.42Å; E36-V39 PolarHBondContact O-N 2.88Å; E36-I40 WeakPolarHBondContact O-CB 3.47Å; E36-I40 VanDerWaalsContact O-CG1 3.25Å; E36-I40 WeakPolarHBondContact O-CG1 3.26Å; E36-I40 PolarHBondContact O-N 3.28Å; E36-I75 HydrophobicContact CG-CG2 4.29Å; E36-I79 HydrophobicContact CB-CD1 4.27Å; E36-I79 HydrophobicContact CG-CD1 3.11Å
37	M	64.5	Low	57.3	Low	98 Å²	98	76.4 Å²	76.4	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-38	-178.1	-169.9	57.3	158.5	0	112.1	M33 C35 K41	M33-M37 WeakPolarHBondContact O-CB 3.45Å; M33-M37 PolarHBondContact O-N 3.46Å; C35-M37 VanDerWaalsContact C-N 3.28Å; C35-M37 PolarHBondContact O-N 3.23Å; M37-K41 HydrophobicContact CG-CD 4.42Å; M37-K41 VanDerWaalsContact O-CB 3.32Å; M37-K41 WeakPolarHBondContact O-CB 3.25Å; M37-K41 VanDerWaalsContact O-CG 3.28Å; M37-K41 WeakPolarHBondContact O-CG 3.48Å; M37-K41 PolarHBondContact O-N 2.88Å
38	K	61.7	Low	57.8	Low	131 Å²	131	78.8 Å²	78.8	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-64.5	-43.4	174.5	-80.3	171.2	176.1	167.5	112.1	D34 C35 E36 K41 G42	D34-K38 WeakPolarHBondContact O-CB 3.33Å; D34-K38 VanDerWaalsContact O-CG 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.42Å; D34-K38 PolarHBondContact O-N 3.25Å; D34-K38 IonicContact OD1-NZ 2.65Å; D34-K38 WeakPolarHBondContact OD2-CE 3.4Å; D34-K38 IonicContact OD2-NZ 3.9Å; D34-K38 PolarHBondContact OD2-NZ 2.83Å; C35-K38 PolarHBondContact O-N 2.87Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 3.42Å; K38-K41 PolarHBondContact O-N 3.35Å; K38-G42 PolarHBondContact O-N 3.23Å
39	V	60	Low	58.1	Low	18 Å²	18	81.8 Å²	81.8	11%	0.109	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-46.5	177.2	173.4	0	0	0	110.3	V15 C35 E36 K41 G42 I43 I75	V15-V39 HydrophobicContact CG1-CG2 3.74Å; V15-V39 HydrophobicContact CG2-CG2 4.4Å; C35-V39 WeakPolarHBondContact O-CG2 3.42Å; C35-V39 PolarHBondContact O-N 3.24Å; E36-V39 PolarHBondContact O-N 2.88Å; V39-K41 PolarHBondContact O-N 2.83Å; V39-G42 PolarHBondContact O-N 2.71Å; V39-I43 HydrophobicContact CG1-CD1 3.92Å; V39-I43 WeakPolarHBondContact O-CG1 3.37Å; V39-I43 PolarHBondContact O-N 3.48Å; V39-I75 HydrophobicContact CG1-CD1 4.27Å; V39-I75 HydrophobicContact CG1-CG1 4.49Å
40	I	61	Low	58	Low	50 Å²	50	78.2 Å²	78.2	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-47.3	177.2	-68.3	165.6	0	0	110.5	E36 G42 I43 Q44	E36-I40 WeakPolarHBondContact O-CB 3.47Å; E36-I40 VanDerWaalsContact O-CG1 3.25Å; E36-I40 WeakPolarHBondContact O-CG1 3.26Å; E36-I40 PolarHBondContact O-N 3.28Å; I40-G42 PolarHBondContact O-N 3.27Å; I40-I43 PolarHBondContact O-N 2.85Å; I40-Q44 HydrophobicContact CG2-CG 4.5Å; I40-Q44 WeakPolarHBondContact O-CG 3.13Å; I40-Q44 PolarHBondContact O-N 3.46Å
41	K	62.2	Low	58	Low	109 Å²	109	76.9 Å²	76.9	47%	0.474	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.7	-78.3	-178.5	179.9	179.8	112.4	M37 K38 V39 I43 Q44 Q45	M37-K41 HydrophobicContact CG-CD 4.42Å; M37-K41 VanDerWaalsContact O-CB 3.32Å; M37-K41 WeakPolarHBondContact O-CB 3.25Å; M37-K41 VanDerWaalsContact O-CG 3.28Å; M37-K41 WeakPolarHBondContact O-CG 3.48Å; M37-K41 PolarHBondContact O-N 2.88Å; K38-K41 PolarHBondContact O-N 3.35Å; V39-K41 PolarHBondContact O-N 2.83Å; K41-I43 VanDerWaalsContact C-N 3.34Å; K41-Q44 PolarHBondContact O-N 2.85Å; K41-Q45 WeakPolarHBondContact O-CB 3.3Å; K41-Q45 WeakPolarHBondContact O-CG 3.25Å; K41-Q45 PolarHBondContact O-N 3.34Å
42	G	62.4	Low	58.3	Low	35 Å²	35	74.5 Å²	74.5	36%	0.361	40%	0.397	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.4	0	0	0	0	111.6	K38 V39 I40 Q45 L46	K38-G42 PolarHBondContact O-N 3.23Å; V39-G42 PolarHBondContact O-N 2.71Å; I40-G42 PolarHBondContact O-N 3.27Å; G42-Q45 PolarHBondContact O-N 2.89Å; G42-L46 VanDerWaalsContact O-CB 3.28Å; G42-L46 WeakPolarHBondContact O-CB 3.45Å; G42-L46 PolarHBondContact O-N 3.01Å
43	I	64.5	Low	58.3	Low	29 Å²	29	79.8 Å²	79.8	15%	0.149	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-46.7	174.4	-66.7	166.5	0	0	110.5	I11 V39 I40 K41 Q45 L46 I47 L71	I11-I43 HydrophobicContact CG2-CG1 4.23Å; V39-I43 HydrophobicContact CG1-CD1 3.92Å; V39-I43 WeakPolarHBondContact O-CG1 3.37Å; V39-I43 PolarHBondContact O-N 3.48Å; I40-I43 PolarHBondContact O-N 2.85Å; K41-I43 VanDerWaalsContact C-N 3.34Å; I43-Q45 PolarHBondContact O-N 3.19Å; I43-L46 PolarHBondContact O-N 2.9Å; I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.41Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.42Å; I43-L71 HydrophobicContact CD1-CD2 4.49Å
44	Q	56.9	Low	57.8	Low	108 Å²	108	78.7 Å²	78.7	51%	0.505	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-45.8	178	-75.6	178.2	-18.3	0	112.4	I40 K41 L46 I47 I48	I40-Q44 HydrophobicContact CG2-CG 4.5Å; I40-Q44 WeakPolarHBondContact O-CG 3.13Å; I40-Q44 PolarHBondContact O-N 3.46Å; K41-Q44 PolarHBondContact O-N 2.85Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.41Å; Q44-I47 WeakPolarHBondContact O-CB 3.28Å; Q44-I47 PolarHBondContact O-N 3.33Å; Q44-I48 VanDerWaalsContact O-CG1 3.26Å; Q44-I48 WeakPolarHBondContact O-CG1 3.34Å; Q44-I48 PolarHBondContact O-N 2.81Å
45	Q	59.6	Low	57.4	Low	125 Å²	125	78.2 Å²	78.2	58%	0.584	41%	0.411	S	S	*	.	H	α-helix	trans	-62.7	-40.4	176	-78.1	-173.9	-51.3	0	111.5	K41 G42 I43 I47 I48 Q49	K41-Q45 WeakPolarHBondContact O-CB 3.3Å; K41-Q45 WeakPolarHBondContact O-CG 3.25Å; K41-Q45 PolarHBondContact O-N 3.34Å; G42-Q45 PolarHBondContact O-N 2.89Å; I43-Q45 PolarHBondContact O-N 3.19Å; Q45-I47 VanDerWaalsContact C-N 3.32Å; Q45-I47 PolarHBondContact O-N 3.42Å; Q45-I48 PolarHBondContact O-N 2.94Å; Q45-Q49 WeakPolarHBondContact O-CB 3.32Å; Q45-Q49 WeakPolarHBondContact O-CG 3.19Å; Q45-Q49 PolarHBondContact O-N 2.88Å
46	L	58.6	Low	57.7	Low	58 Å²	58	81.7 Å²	81.7	30%	0.304	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-39	177.2	-167.5	68.2	0	0	111.4	F7 I11 G42 I43 Q44 Q49 S50	F7-L46 HydrophobicContact CE1-CD2 3.55Å; F7-L46 HydrophobicContact CE1-CG 4.26Å; F7-L46 HydrophobicContact CZ-CD1 4.38Å; F7-L46 HydrophobicContact CZ-CD2 3.5Å; F7-L46 VanDerWaalsContact CZ-CD2 3.5Å; F7-L46 HydrophobicContact CZ-CG 3.95Å; I11-L46 HydrophobicContact CD1-CD2 3.81Å; I11-L46 HydrophobicContact CG1-CD2 3.87Å; G42-L46 VanDerWaalsContact O-CB 3.28Å; G42-L46 WeakPolarHBondContact O-CB 3.45Å; G42-L46 PolarHBondContact O-N 3.01Å; I43-L46 PolarHBondContact O-N 2.9Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.41Å; L46-Q49 PolarHBondContact O-N 3.47Å; L46-S50 WeakPolarHBondContact O-CB 3.14Å; L46-S50 PolarHBondContact O-N 2.81Å
47	I	55.9	Low	57.7	Low	18 Å²	18	82.5 Å²	82.5	9%	0.092	44%	0.438	C	S	.	.	H	α-helix	trans	-61.7	-45.5	173.4	-69.6	165	0	0	110.7	I43 Q44 Q45 S50 Q55 I58 L62	I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.41Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.42Å; Q44-I47 WeakPolarHBondContact O-CB 3.28Å; Q44-I47 PolarHBondContact O-N 3.33Å; Q45-I47 VanDerWaalsContact C-N 3.32Å; Q45-I47 PolarHBondContact O-N 3.42Å; I47-S50 WeakPolarHBondContact O-CB 3.47Å; I47-S50 PolarHBondContact O-N 3.49Å; I47-Q55 HydrophobicContact CG2-CB 4.44Å; I47-Q55 HydrophobicContact CG2-CG 3.81Å; I47-I58 HydrophobicContact CD1-CG2 3.51Å; I47-I58 HydrophobicContact CG1-CB 4.11Å; I47-I58 HydrophobicContact CG1-CD1 3.93Å; I47-I58 HydrophobicContact CG1-CG2 3.51Å; I47-L62 HydrophobicContact CD1-CD1 3.75Å
48	I	58.6	Low	57.4	Low	126 Å²	126	79.3 Å²	79.3	65%	0.646	42%	0.423	S	S	*	.	H	α-helix	trans	-65.3	-40.1	178.7	-67.5	163.8	0	0	111.2	Q44 Q45 S50	Q44-I48 VanDerWaalsContact O-CG1 3.26Å; Q44-I48 WeakPolarHBondContact O-CG1 3.34Å; Q44-I48 PolarHBondContact O-N 2.81Å; Q45-I48 PolarHBondContact O-N 2.94Å; I48-S50 VanDerWaalsContact C-N 3.29Å
49	Q	56.2	Low	57.3	Low	156 Å²	156	76.5 Å²	76.5	73%	0.729	41%	0.411	S	S	*	.	H	α-helix	trans	-72.8	-24.6	176.9	-73.7	-177.6	-23.9	0	112.5	Q45 L46 S51	Q45-Q49 WeakPolarHBondContact O-CB 3.32Å; Q45-Q49 WeakPolarHBondContact O-CG 3.19Å; Q45-Q49 PolarHBondContact O-N 2.88Å; L46-Q49 PolarHBondContact O-N 3.47Å; Q49-S51 PolarHBondContact O-N 3.45Å
50	S	50	Low	57.2	Low	17 Å²	17	79 Å²	79	12%	0.119	43%	0.43	C	S	.	.	S	Bend	trans	-71.2	111.9	176	134.9	0	0	0	109.6	L46 I47 I48 N54 Q55	L46-S50 WeakPolarHBondContact O-CB 3.14Å; L46-S50 PolarHBondContact O-N 2.81Å; I47-S50 WeakPolarHBondContact O-CB 3.47Å; I47-S50 PolarHBondContact O-N 3.49Å; I48-S50 VanDerWaalsContact C-N 3.29Å; S50-N54 WeakPolarHBondContact OG-CB 3.42Å; S50-Q55 PolarHBondContact OG-N 3.24Å
51	S	52	Low	56.8	Low	97 Å²	97	78.4 Å²	78.4	68%	0.678	43%	0.427	S	S	*	.			trans	-67.9	134.7	-175.5	67.1	0	0	0	113.6	Q49 Q53 N54	Q49-S51 PolarHBondContact O-N 3.45Å; S51-Q53 PolarHBondContact O-N 2.96Å; S51-N54 PolarHBondContact O-N 3.4Å; S51-N54 VanDerWaalsContact O-N 3.09Å
52	G	56.2	Low	56.6	Low	51 Å²	51	75.4 Å²	75.4	53%	0.526	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-89.1	159.5	0	0	0	0	116.5	T56	G52-T56 PolarHBondContact O-N 3.39Å; G52-T56 PolarHBondContact O-OG1 3.23Å; G52-T56 VanDerWaalsContact O-OG1 3.06Å
53	Q	53.1	Low	56.3	Low	172 Å²	172	80.9 Å²	80.9	80%	0.804	43%	0.429	S	S	*	.	H	α-helix	trans	-68.4	-38.2	-177.1	-81.5	-179	-45.3	0	112.3	S51 T56 L57	S51-Q53 PolarHBondContact O-N 2.96Å; Q53-T56 PolarHBondContact O-N 2.89Å; Q53-L57 VanDerWaalsContact O-CB 3.22Å; Q53-L57 WeakPolarHBondContact O-CB 3.23Å; Q53-L57 PolarHBondContact O-N 2.9Å
54	N	50.7	Low	55.9	Low	92 Å²	92	83.4 Å²	83.4	49%	0.492	45%	0.446	S	S	.	.	H	α-helix	trans	-71.5	-35.8	-177.6	-70.5	-22.3	0	0	110.8	S50 S51 L57 I58	S50-N54 WeakPolarHBondContact OG-CB 3.42Å; S51-N54 PolarHBondContact O-N 3.4Å; S51-N54 VanDerWaalsContact O-N 3.09Å; N54-L57 PolarHBondContact O-N 2.97Å; N54-I58 WeakPolarHBondContact O-CB 3.32Å; N54-I58 WeakPolarHBondContact O-CD1 3.28Å; N54-I58 WeakPolarHBondContact O-CG1 3.33Å; N54-I58 PolarHBondContact O-N 3.41Å
55	Q	51.4	Low	55.9	Low	69 Å²	69	85.5 Å²	85.5	32%	0.322	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-51.5	174	177.9	176.7	-6.5	0	110.8	I47 S50 L57 I58 E59	I47-Q55 HydrophobicContact CG2-CB 4.44Å; I47-Q55 HydrophobicContact CG2-CG 3.81Å; S50-Q55 PolarHBondContact OG-N 3.24Å; Q55-L57 VanDerWaalsContact C-N 3.25Å; Q55-L57 PolarHBondContact O-N 3.23Å; Q55-I58 PolarHBondContact O-N 2.93Å; Q55-E59 HydrophobicContact CG-CG 4.4Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 2.89Å; Q55-E59 WeakPolarHBondContact O-CB 3.45Å; Q55-E59 WeakPolarHBondContact O-CG 3.37Å; Q55-E59 PolarHBondContact O-N 3.42Å
56	T	61.9	Low	55.8	Low	94 Å²	94	84.9 Å²	84.9	58%	0.577	46%	0.462	S	S	*	.	H	α-helix	trans	-59	-40	178.5	-53.1	0	0	0	111.5	G52 Q53 S60	G52-T56 PolarHBondContact O-N 3.39Å; G52-T56 PolarHBondContact O-OG1 3.23Å; G52-T56 VanDerWaalsContact O-OG1 3.06Å; Q53-T56 PolarHBondContact O-N 2.89Å; T56-S60 WeakPolarHBondContact O-CB 3.33Å; T56-S60 PolarHBondContact O-N 3.29Å
57	L	54.4	Low	55.7	Low	79 Å²	79	84.9 Å²	84.9	41%	0.414	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-47.1	177.7	-171.4	88.6	0	0	111.2	I4 Q53 N54 Q55 S60 I61	I4-L57 HydrophobicContact CD1-CD2 3.96Å; I4-L57 HydrophobicContact CG1-CD2 4.15Å; Q53-L57 VanDerWaalsContact O-CB 3.22Å; Q53-L57 WeakPolarHBondContact O-CB 3.23Å; Q53-L57 PolarHBondContact O-N 2.9Å; N54-L57 PolarHBondContact O-N 2.97Å; Q55-L57 VanDerWaalsContact C-N 3.25Å; Q55-L57 PolarHBondContact O-N 3.23Å; L57-S60 PolarHBondContact O-N 3.46Å; L57-I61 HydrophobicContact CD2-CD1 4.04Å; L57-I61 HydrophobicContact CG-CD1 3.78Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CD1 2.83Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 3.21Å
58	I	58.2	Low	55.9	Low	32 Å²	32	89.6 Å²	89.6	16%	0.164	48%	0.483	C	S	.	.	H	α-helix	trans	-66.2	-44.4	179.7	-63.3	161.8	0	0	110.1	I47 N54 Q55 S60 I61 L62	I47-I58 HydrophobicContact CD1-CG2 3.51Å; I47-I58 HydrophobicContact CG1-CB 4.11Å; I47-I58 HydrophobicContact CG1-CD1 3.93Å; I47-I58 HydrophobicContact CG1-CG2 3.51Å; N54-I58 WeakPolarHBondContact O-CB 3.32Å; N54-I58 WeakPolarHBondContact O-CD1 3.28Å; N54-I58 WeakPolarHBondContact O-CG1 3.33Å; N54-I58 PolarHBondContact O-N 3.41Å; Q55-I58 PolarHBondContact O-N 2.93Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 2.86Å; I58-I61 PolarHBondContact O-N 2.85Å; I58-I61 VanDerWaalsContact O-N 3.17Å; I58-L62 HydrophobicContact CG2-CD1 3.83Å; I58-L62 HydrophobicContact CG2-CG 4.17Å; I58-L62 WeakPolarHBondContact O-CB 3.24Å; I58-L62 WeakPolarHBondContact O-CG 3.48Å; I58-L62 PolarHBondContact O-N 3.46Å
59	E	59.5	Low	56	Low	71 Å²	71	85.8 Å²	85.8	33%	0.332	48%	0.476	S	S	.	.	H	α-helix	trans	-58.8	-42.8	174	-76.1	-177.1	-160.9	0	111.5	Q55 I61 L62 K63	Q55-E59 HydrophobicContact CG-CG 4.4Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 2.89Å; Q55-E59 WeakPolarHBondContact O-CB 3.45Å; Q55-E59 WeakPolarHBondContact O-CG 3.37Å; Q55-E59 PolarHBondContact O-N 3.42Å; E59-I61 VanDerWaalsContact C-N 3.32Å; E59-I61 PolarHBondContact O-N 2.94Å; E59-L62 PolarHBondContact O-N 2.91Å; E59-K63 WeakPolarHBondContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.25Å; E59-K63 PolarHBondContact O-N 3.48Å
60	S	57.2	Low	56.2	Low	71 Å²	71	84.8 Å²	84.8	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-37.3	176.5	-176.4	0	0	0	112.4	T56 L57 I58 T64	T56-S60 WeakPolarHBondContact O-CB 3.33Å; T56-S60 PolarHBondContact O-N 3.29Å; L57-S60 PolarHBondContact O-N 3.46Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 2.86Å; S60-T64 PolarHBondContact O-N 2.83Å; S60-T64 PolarHBondContact O-OG1 3.49Å
61	I	52.5	Low	56.8	Low	37 Å²	37	85.6 Å²	85.6	19%	0.19	47%	0.471	C	S	.	.	H	α-helix	trans	-68.2	-46.3	177.7	-75.2	165.6	0	0	109.5	I4 L57 I58 E59 T64 L67	I4-I61 HydrophobicContact CD1-CD1 3.93Å; I4-I61 HydrophobicContact CG1-CD1 4.41Å; I4-I61 HydrophobicContact CG2-CD1 4Å; L57-I61 HydrophobicContact CD2-CD1 4.04Å; L57-I61 HydrophobicContact CG-CD1 3.78Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CD1 2.83Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 3.21Å; I58-I61 PolarHBondContact O-N 2.85Å; I58-I61 VanDerWaalsContact O-N 3.17Å; E59-I61 VanDerWaalsContact C-N 3.32Å; E59-I61 PolarHBondContact O-N 2.94Å; I61-T64 WeakPolarHBondContact O-CB 3.36Å; I61-T64 PolarHBondContact O-N 3.47Å; I61-T64 PolarHBondContact O-OG1 3.47Å; I61-L67 HydrophobicContact CG2-CD1 4.31Å; I61-L67 HydrophobicContact CG2-CD2 3.26Å; I61-L67 HydrophobicContact CG2-CG 4.33Å; I61-L67 VanDerWaalsContact O-CB 3.29Å; I61-L67 WeakPolarHBondContact O-CB 3.49Å
62	L	57.9	Low	57.3	Low	46 Å²	46	85.4 Å²	85.4	24%	0.241	46%	0.46	C	S	.	.	H	α-helix	trans	-64.5	-42.6	175.9	-72	172.7	0	0	112.3	I47 I58 E59 T64 L67 L71	I47-L62 HydrophobicContact CD1-CD1 3.75Å; I58-L62 HydrophobicContact CG2-CD1 3.83Å; I58-L62 HydrophobicContact CG2-CG 4.17Å; I58-L62 WeakPolarHBondContact O-CB 3.24Å; I58-L62 WeakPolarHBondContact O-CG 3.48Å; I58-L62 PolarHBondContact O-N 3.46Å; E59-L62 PolarHBondContact O-N 2.91Å; L62-T64 PolarHBondContact O-N 3.27Å; L62-L67 HydrophobicContact CD2-CD2 4.47Å; L62-L71 HydrophobicContact CD2-CD2 3.72Å
63	K	57	Low	57.7	Low	150 Å²	150	84.6 Å²	84.6	65%	0.652	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.1	175.7	-80.6	176.9	179.7	169.5	113.8	E59 D65	E59-K63 WeakPolarHBondContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.25Å; E59-K63 PolarHBondContact O-N 3.48Å; K63-D65 PolarHBondContact O-N 3.23Å
64	T	56.3	Low	58	Low	82 Å²	82	81 Å²	81	50%	0.503	44%	0.437	S	S	.	.	S	Bend	trans	-65.4	110.6	171.6	-57.5	0	0	0	106.4	S60 I61 L62 N66 L67	S60-T64 PolarHBondContact O-N 2.83Å; S60-T64 PolarHBondContact O-OG1 3.49Å; I61-T64 WeakPolarHBondContact O-CB 3.36Å; I61-T64 PolarHBondContact O-N 3.47Å; I61-T64 PolarHBondContact O-OG1 3.47Å; L62-T64 PolarHBondContact O-N 3.27Å; T64-N66 PolarHBondContact O-N 2.86Å; T64-L67 WeakPolarHBondContact O-CB 3.43Å; T64-L67 PolarHBondContact O-N 2.88Å
65	D	56	Low	58.5	Low	152 Å²	152	77 Å²	77	81%	0.813	42%	0.416	S	S	*	.	H	α-helix	trans	-46.7	-24.9	-162.4	-64.9	-51.8	0	0	116.2	K63	K63-D65 PolarHBondContact O-N 3.23Å
66	N	58.4	Low	59.1	Low	113 Å²	113	76 Å²	76	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-91.3	-15.5	179.9	-73.5	-39.6	0	0	114.4	T64 K70	T64-N66 PolarHBondContact O-N 2.86Å; N66-K70 VanDerWaalsContact O-CB 3.25Å; N66-K70 WeakPolarHBondContact O-CB 3.47Å; N66-K70 WeakPolarHBondContact O-CD 3.48Å; N66-K70 WeakPolarHBondContact O-CG 3.37Å; N66-K70 PolarHBondContact O-N 2.87Å
67	L	56.3	Low	59.2	Low	58 Å²	58	76 Å²	76	30%	0.304	42%	0.419	S	S	.	.	H	α-helix	trans	-86.1	-37.6	-169.9	-153.1	112.2	0	0	112.3	I61 L62 T64 G69 K70 L71	I61-L67 HydrophobicContact CG2-CD1 4.31Å; I61-L67 HydrophobicContact CG2-CD2 3.26Å; I61-L67 HydrophobicContact CG2-CG 4.33Å; I61-L67 VanDerWaalsContact O-CB 3.29Å; I61-L67 WeakPolarHBondContact O-CB 3.49Å; L62-L67 HydrophobicContact CD2-CD2 4.47Å; T64-L67 WeakPolarHBondContact O-CB 3.43Å; T64-L67 PolarHBondContact O-N 2.88Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-K70 PolarHBondContact O-N 3.27Å; L67-L71 WeakPolarHBondContact O-CB 3.21Å; L67-L71 PolarHBondContact O-N 2.95Å
68	E	59.3	Low	59.2	Low	116 Å²	116	74 Å²	74	54%	0.542	41%	0.407	S	S	.	.	H	α-helix	trans	-56.6	-50.1	169.9	-179.2	173.8	-169.9	0	110.3	K70 L71 H72	E68-K70 PolarHBondContact O-N 3.43Å; E68-L71 PolarHBondContact O-N 3.43Å; E68-H72 WeakPolarHBondContact O-CB 3.02Å; E68-H72 PolarHBondContact O-CD2 3.18Å; E68-H72 VanDerWaalsContact O-CD2 3.3Å; E68-H72 PolarHBondContact O-N 2.89Å
69	G	61.4	Low	59.3	Low	47 Å²	47	73.2 Å²	73.2	49%	0.485	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-41.1	175.6	0	0	0	0	113.5	L67 H72 G73	L67-G69 VanDerWaalsContact C-N 3.33Å; G69-H72 PolarHBondContact O-N 2.83Å; G69-G73 PolarHBondContact O-N 3.41Å
70	K	60.2	Low	59.5	Low	134 Å²	134	73 Å²	73	58%	0.583	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-38.3	175.5	-79	171	-176.9	-175.9	112.5	N66 L67 E68 G73 L74	N66-K70 VanDerWaalsContact O-CB 3.25Å; N66-K70 WeakPolarHBondContact O-CB 3.47Å; N66-K70 WeakPolarHBondContact O-CD 3.48Å; N66-K70 WeakPolarHBondContact O-CG 3.37Å; N66-K70 PolarHBondContact O-N 2.87Å; L67-K70 PolarHBondContact O-N 3.27Å; E68-K70 PolarHBondContact O-N 3.43Å; K70-G73 PolarHBondContact O-N 3.18Å; K70-L74 WeakPolarHBondContact O-CB 3.43Å; K70-L74 WeakPolarHBondContact O-CG 3.28Å; K70-L74 PolarHBondContact O-N 3.3Å
71	L	63.3	Low	59.3	Low	34 Å²	34	71.8 Å²	71.8	18%	0.178	40%	0.401	C	S	.	.	H	α-helix	trans	-67.3	-44.7	177.6	-175.9	64.8	0	0	109.8	F12 I43 L62 L67 E68 G73 L74 I75	F12-L71 HydrophobicContact CZ-CD1 4.25Å; I43-L71 HydrophobicContact CD1-CD2 4.49Å; L62-L71 HydrophobicContact CD2-CD2 3.72Å; L67-L71 WeakPolarHBondContact O-CB 3.21Å; L67-L71 PolarHBondContact O-N 2.95Å; E68-L71 PolarHBondContact O-N 3.43Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 3.04Å; L71-L74 PolarHBondContact O-N 2.82Å; L71-I75 HydrophobicContact CD1-CD1 4.32Å; L71-I75 HydrophobicContact CG-CD1 3.92Å; L71-I75 WeakPolarHBondContact O-CB 3.35Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 2.92Å
72	H	63.1	Low	59.5	Low	94 Å²	94	71.1 Å²	71.1	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-57.3	-45.1	171	-88	-69.5	0	0	111.8	E68 G69 L74 I75 A76	E68-H72 WeakPolarHBondContact O-CB 3.02Å; E68-H72 PolarHBondContact O-CD2 3.18Å; E68-H72 VanDerWaalsContact O-CD2 3.3Å; E68-H72 PolarHBondContact O-N 2.89Å; G69-H72 PolarHBondContact O-N 2.83Å; H72-L74 PolarHBondContact O-N 3.43Å; H72-I75 PolarHBondContact O-N 3.24Å; H72-A76 VanDerWaalsContact O-CB 3.3Å; H72-A76 WeakPolarHBondContact O-CB 3.42Å; H72-A76 PolarHBondContact O-N 2.95Å
73	G	63.7	Low	59.3	Low	34 Å²	34	70.2 Å²	70.2	35%	0.351	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-40.6	176.3	0	0	0	0	113.1	G69 K70 L71 T77	G69-G73 PolarHBondContact O-N 3.41Å; K70-G73 PolarHBondContact O-N 3.18Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 3.04Å; G73-T77 VanDerWaalsContact O-CB 3.32Å; G73-T77 WeakPolarHBondContact O-CB 3.27Å; G73-T77 PolarHBondContact O-N 2.98Å; G73-T77 PolarHBondContact O-OG1 3.47Å
74	L	58.5	Low	59.2	Low	96 Å²	96	69.5 Å²	69.5	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-66.5	-44.1	175.9	-77.8	169.6	0	0	111.7	F12 K70 L71 H72 T77 F78	F12-L74 HydrophobicContact CZ-CB 4.08Å; K70-L74 WeakPolarHBondContact O-CB 3.43Å; K70-L74 WeakPolarHBondContact O-CG 3.28Å; K70-L74 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 2.82Å; H72-L74 PolarHBondContact O-N 3.43Å; L74-T77 PolarHBondContact O-N 2.98Å; L74-F78 WeakPolarHBondContact O-CB 3.45Å; L74-F78 PolarHBondContact O-N 3.34Å
75	I	62.5	Low	58.8	Low	9 Å²	9	71.7 Å²	71.7	5%	0.046	40%	0.403	C	S	.	.	H	α-helix	trans	-61.8	-48	176.6	-69.4	167.6	0	0	109.9	E36 V39 L71 H72 T77 F78 I79	E36-I75 HydrophobicContact CG-CG2 4.29Å; V39-I75 HydrophobicContact CG1-CD1 4.27Å; V39-I75 HydrophobicContact CG1-CG1 4.49Å; L71-I75 HydrophobicContact CD1-CD1 4.32Å; L71-I75 HydrophobicContact CG-CD1 3.92Å; L71-I75 WeakPolarHBondContact O-CB 3.35Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 2.92Å; H72-I75 PolarHBondContact O-N 3.24Å; I75-T77 PolarHBondContact O-N 3.35Å; I75-F78 PolarHBondContact O-N 3.05Å; I75-I79 HydrophobicContact CG2-CD1 3.72Å; I75-I79 HydrophobicContact CG2-CG1 4.46Å; I75-I79 VanDerWaalsContact O-CB 3.29Å; I75-I79 WeakPolarHBondContact O-CB 3.35Å; I75-I79 VanDerWaalsContact O-CG1 3.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.19Å; I75-I79 PolarHBondContact O-N 3.37Å
76	A	63.3	Low	58.5	Low	46 Å²	46	67.4 Å²	67.4	38%	0.38	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-43.6	178.2	0	0	0	0	112	H72 I79 S80	H72-A76 VanDerWaalsContact O-CB 3.3Å; H72-A76 WeakPolarHBondContact O-CB 3.42Å; H72-A76 PolarHBondContact O-N 2.95Å; A76-I79 PolarHBondContact O-N 3.09Å; A76-S80 WeakPolarHBondContact O-CB 3.2Å; A76-S80 PolarHBondContact O-N 2.82Å
77	T	63.8	Low	58.1	Low	95 Å²	95	67.5 Å²	67.5	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-64	-44.4	176.7	-56.5	0	0	0	111.3	G73 L74 I75 I79 S80 S81	G73-T77 VanDerWaalsContact O-CB 3.32Å; G73-T77 WeakPolarHBondContact O-CB 3.27Å; G73-T77 PolarHBondContact O-N 2.98Å; G73-T77 PolarHBondContact O-OG1 3.47Å; L74-T77 PolarHBondContact O-N 2.98Å; I75-T77 PolarHBondContact O-N 3.35Å; T77-I79 VanDerWaalsContact C-N 3.35Å; T77-I79 PolarHBondContact O-N 2.97Å; T77-S80 WeakPolarHBondContact O-CB 3.38Å; T77-S80 PolarHBondContact O-N 2.83Å; T77-S81 WeakPolarHBondContact O-CB 3.43Å; T77-S81 PolarHBondContact O-N 3.09Å
78	F	55.8	Low	57.8	Low	38 Å²	38	67.4 Å²	67.4	17%	0.167	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-45	178.8	176.2	-114.3	0	0	111.8	V15 D16 L74 I75 S81 I82	V15-F78 HydrophobicContact CG1-CE1 4.11Å; D16-F78 HydrophobicContact CB-CZ 4.23Å; D16-F78 VanDerWaalsContact CG-CZ 3.48Å; D16-F78 WeakPolarHBondContact OD2-CE2 3.34Å; D16-F78 WeakPolarHBondContact OD2-CZ 3.25Å; L74-F78 WeakPolarHBondContact O-CB 3.45Å; L74-F78 PolarHBondContact O-N 3.34Å; I75-F78 PolarHBondContact O-N 3.05Å; F78-S81 WeakPolarHBondContact O-CB 3.31Å; F78-S81 PolarHBondContact O-N 3.29Å; F78-I82 HydrophobicContact CD1-CD1 3.94Å; F78-I82 HydrophobicContact CD2-CD1 4.33Å; F78-I82 HydrophobicContact CE1-CD1 3.32Å; F78-I82 HydrophobicContact CE1-CG1 4.45Å; F78-I82 HydrophobicContact CE2-CD1 3.74Å; F78-I82 HydrophobicContact CE2-CG1 4.18Å; F78-I82 HydrophobicContact CG-CD1 4.43Å; F78-I82 HydrophobicContact CZ-CD1 3.22Å; F78-I82 HydrophobicContact CZ-CG1 4.16Å; F78-I82 WeakPolarHBondContact O-CG1 3.46Å; F78-I82 PolarHBondContact O-N 3.37Å
79	I	59.8	Low	57.3	Low	14 Å²	14	69.3 Å²	69.3	7%	0.072	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-43.8	175.2	-78	176.5	0	0	111.6	N32 E36 I75 A76 T77 S81 I82 G83	N32-I79 VanDerWaalsContact ND2-CG2 3.3Å; N32-I79 WeakPolarHBondContact ND2-CG2 3.49Å; N32-I79 WeakPolarHBondContact OD1-CG2 3.32Å; E36-I79 HydrophobicContact CB-CD1 4.27Å; E36-I79 HydrophobicContact CG-CD1 3.11Å; I75-I79 HydrophobicContact CG2-CD1 3.72Å; I75-I79 HydrophobicContact CG2-CG1 4.46Å; I75-I79 VanDerWaalsContact O-CB 3.29Å; I75-I79 WeakPolarHBondContact O-CB 3.35Å; I75-I79 VanDerWaalsContact O-CG1 3.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.19Å; I75-I79 PolarHBondContact O-N 3.37Å; A76-I79 PolarHBondContact O-N 3.09Å; T77-I79 VanDerWaalsContact C-N 3.35Å; T77-I79 PolarHBondContact O-N 2.97Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.48Å; I79-I82 PolarHBondContact O-N 2.92Å; I79-G83 PolarHBondContact O-N 2.66Å
80	S	62.5	Low	56.4	Low	66 Å²	66	72.6 Å²	72.6	46%	0.462	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-43.9	174.6	-166.2	0	0	0	110.6	A76 T77 I82 G83 E84	A76-S80 WeakPolarHBondContact O-CB 3.2Å; A76-S80 PolarHBondContact O-N 2.82Å; T77-S80 WeakPolarHBondContact O-CB 3.38Å; T77-S80 PolarHBondContact O-N 2.83Å; S80-I82 PolarHBondContact O-N 3.2Å; S80-G83 PolarHBondContact O-N 3.32Å; S80-E84 WeakPolarHBondContact O-CG 3.44Å; S80-E84 PolarHBondContact O-N 3Å
81	S	54.8	Low	55.1	Low	46 Å²	46	71 Å²	71	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-38.8	178.2	-174.3	0	0	0	112.5	T77 F78 I79 E84 Q85	T77-S81 WeakPolarHBondContact O-CB 3.43Å; T77-S81 PolarHBondContact O-N 3.09Å; F78-S81 WeakPolarHBondContact O-CB 3.31Å; F78-S81 PolarHBondContact O-N 3.29Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.48Å; S81-E84 PolarHBondContact O-N 3.39Å; S81-Q85 WeakPolarHBondContact O-CB 3.38Å; S81-Q85 VanDerWaalsContact O-CG 3.31Å; S81-Q85 WeakPolarHBondContact O-CG 3.09Å; S81-Q85 PolarHBondContact O-N 3.35Å; S81-Q85 PolarHBondContact OG-NE2 3.18Å
82	I	55.6	Low	54.3	Low	23 Å²	23	79 Å²	79	12%	0.118	47%	0.468	C	S	.	.	H	α-helix	trans	-66.8	-43.4	172.4	-73.1	175.8	0	0	110.6	K19 F78 I79 S80 E84 Q85 I86	K19-I82 HydrophobicContact CD-CD1 3.67Å; K19-I82 VanDerWaalsContact NZ-CD1 3.26Å; F78-I82 HydrophobicContact CD1-CD1 3.94Å; F78-I82 HydrophobicContact CD2-CD1 4.33Å; F78-I82 HydrophobicContact CE1-CD1 3.32Å; F78-I82 HydrophobicContact CE1-CG1 4.45Å; F78-I82 HydrophobicContact CE2-CD1 3.74Å; F78-I82 HydrophobicContact CE2-CG1 4.18Å; F78-I82 HydrophobicContact CG-CD1 4.43Å; F78-I82 HydrophobicContact CZ-CD1 3.22Å; F78-I82 HydrophobicContact CZ-CG1 4.16Å; F78-I82 WeakPolarHBondContact O-CG1 3.46Å; F78-I82 PolarHBondContact O-N 3.37Å; I79-I82 PolarHBondContact O-N 2.92Å; S80-I82 PolarHBondContact O-N 3.2Å; I82-E84 VanDerWaalsContact C-N 3.26Å; I82-E84 PolarHBondContact O-N 3.4Å; I82-Q85 PolarHBondContact O-N 2.84Å; I82-I86 HydrophobicContact CG2-CD1 3.44Å; I82-I86 VanDerWaalsContact CG2-CD1 3.44Å; I82-I86 HydrophobicContact CG2-CG1 4.09Å; I82-I86 WeakPolarHBondContact O-CB 3.31Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 3.44Å
83	G	52.9	Low	53.8	Low	28 Å²	28	78.3 Å²	78.3	29%	0.289	47%	0.47	S	S	.	.	H	α-helix	trans	-59.4	-38.7	176.5	0	0	0	0	112.3	I79 S80 N87	I79-G83 PolarHBondContact O-N 2.66Å; S80-G83 PolarHBondContact O-N 3.32Å; G83-N87 VanDerWaalsContact O-CB 3.32Å; G83-N87 WeakPolarHBondContact O-CB 3.44Å; G83-N87 VanDerWaalsContact O-CG 3.26Å; G83-N87 PolarHBondContact O-N 3.49Å; G83-N87 PolarHBondContact O-ND2 2.65Å; G83-N87 VanDerWaalsContact O-ND2 3.09Å
84	E	55.1	Low	53.3	Low	134 Å²	134	80.6 Å²	80.6	63%	0.626	48%	0.476	S	S	*	.	H	α-helix	trans	-67.7	-44.8	172.9	-75.8	177.9	178.9	0	112.5	S80 S81 I82 I86 N87 G88	S80-E84 WeakPolarHBondContact O-CG 3.44Å; S80-E84 PolarHBondContact O-N 3Å; S81-E84 PolarHBondContact O-N 3.39Å; I82-E84 VanDerWaalsContact C-N 3.26Å; I82-E84 PolarHBondContact O-N 3.4Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 PolarHBondContact O-N 3.44Å; E84-N87 PolarHBondContact O-N 2.64Å; E84-G88 PolarHBondContact O-N 2.75Å
85	Q	49.7	Very low	53	Low	129 Å²	129	79.8 Å²	79.8	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-64.3	-36.3	177.7	-75.7	-179.8	68.7	0	112.1	S81 I82	S81-Q85 WeakPolarHBondContact O-CB 3.38Å; S81-Q85 VanDerWaalsContact O-CG 3.31Å; S81-Q85 WeakPolarHBondContact O-CG 3.09Å; S81-Q85 PolarHBondContact O-N 3.35Å; S81-Q85 PolarHBondContact OG-NE2 3.18Å; I82-Q85 PolarHBondContact O-N 2.84Å
86	I	48.1	Very low	52.4	Low	62 Å²	62	83.9 Å²	83.9	32%	0.318	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-48.2	175.6	-68.5	170.3	0	0	110.5	I23 I82 E84 G88 Q89	I23-I86 HydrophobicContact CD1-CG2 3.88Å; I23-I86 HydrophobicContact CG1-CG2 3.9Å; I23-I86 HydrophobicContact CG2-CG2 4.25Å; I82-I86 HydrophobicContact CG2-CD1 3.44Å; I82-I86 VanDerWaalsContact CG2-CD1 3.44Å; I82-I86 HydrophobicContact CG2-CG1 4.09Å; I82-I86 WeakPolarHBondContact O-CB 3.31Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 3.44Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 PolarHBondContact O-N 3.44Å; I86-G88 VanDerWaalsContact C-N 3.32Å; I86-G88 PolarHBondContact O-N 3.41Å; I86-Q89 PolarHBondContact O-N 3.04Å
87	N	50.3	Low	51.8	Low	114 Å²	114	86.3 Å²	86.3	61%	0.61	51%	0.508	S	S	*	.	H	α-helix	trans	-73.3	-22.8	-178.3	-72.1	-32.7	0	0	113.4	G83 E84 Q89	G83-N87 VanDerWaalsContact O-CB 3.32Å; G83-N87 WeakPolarHBondContact O-CB 3.44Å; G83-N87 VanDerWaalsContact O-CG 3.26Å; G83-N87 PolarHBondContact O-N 3.49Å; G83-N87 PolarHBondContact O-ND2 2.65Å; G83-N87 VanDerWaalsContact O-ND2 3.09Å; E84-N87 PolarHBondContact O-N 2.64Å; N87-Q89 PolarHBondContact O-N 3.33Å
88	G	51	Low	51	Low	57 Å²	57	85.7 Å²	85.7	59%	0.588	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-13	176.7	0	0	0	0	114.2	E84 I86	E84-G88 PolarHBondContact O-N 2.75Å; I86-G88 VanDerWaalsContact C-N 3.32Å; I86-G88 PolarHBondContact O-N 3.41Å
89	Q	47.4	Very low	50.6	Low	156 Å²	156	89.1 Å²	89.1	73%	0.729	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.3	178.3	-69.7	-165.7	-71.2	0	114.3	I86 N87	I86-Q89 PolarHBondContact O-N 3.04Å; N87-Q89 PolarHBondContact O-N 3.33Å
90	D	42.5	Very low	49.9	Very low	115 Å²	115	94.9 Å²	94.9	62%	0.615	56%	0.562	S	S	*	*			trans	-97.6	33.6	177.4	-74	-40.6	0	0	113.4
91	S	34.2	Very low	48.9	Very low	101 Å²	101	97.3 Å²	97.3	71%	0.706	57%	0.57	S	S	*	*			trans	-102.4	120.7	162.7	-78.2	0	0	0	110
92	P	44.8	Very low	48.3	Very low	203 Å²	203	102 Å²	102	100%	1.318	59%	0.593	S	S	*	*			trans	-66.7	0	-165.5	26.8	-35.6	0	0	115.4

Retrieved 92 of 92 residues in 26.3 ms (Link to these results)

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