A0A5K4F3Q9_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F3Q9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 aa.

						>A0A5K4F3Q9_SCHMA|A0A5K4F3Q9
MSGNNSHIISQNNVKSEPSVSTCLPDRKTSLVINAIQNVLKSSHSPSNFWVFQSLGHSGPSVPTKLAYVDFRPWFKGWDQLDVSDQDKLKDLVIFNSTHQIDQYPNI
					

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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)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	44.5	Very low	244 Å²	244	140.4 Å²	140.4	100%	1.202	79%	0.792	S	S	*	*				0	133.6	0	-72.3	171.3	88.6	0	0	107.8
2	S	45.9	Very low	44.2	Very low	133 Å²	133	142 Å²	142	93%	0.93	80%	0.797	S	S	*	*			trans	65.2	121	175.9	-153.1	0	0	0	0	116
3	G	45.5	Very low	44.2	Very low	59 Å²	59	140.2 Å²	140.2	61%	0.608	78%	0.784	S	S	*	*			cis	156.2	113.6	11	0	0	0	0	0	106.8	N5	G3-N5 PolarHBondContact O-N 3.37Å
4	N	43.7	Very low	43.9	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	78%	0.78	S	S	*	*			trans	-66.9	109.6	-175.3	-63.6	-14.8	0	0	0	110.9	S6	N4-S6 PolarHBondContact O-N 3.06Å
5	N	45.7	Very low	43.9	Very low	167 Å²	167	141.5 Å²	141.5	89%	0.893	78%	0.78	S	S	*	*			trans	-90.7	80	166.9	-88.9	-8.9	0	0	0	109.9	G3 H7	G3-N5 PolarHBondContact O-N 3.37Å; N5-H7 PolarHBondContact O-N 3.19Å; N5-H7 VanDerWaalsContact O-N 3.1Å
6	S	48.5	Very low	44.1	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	78%	0.775	S	S	*	*			trans	-69.7	91.6	165.2	-52.3	0	0	0	0	109.1	N4 I8	N4-S6 PolarHBondContact O-N 3.06Å; S6-I8 VanDerWaalsContact C-N 3.33Å; S6-I8 PolarHBondContact O-N 2.78Å; S6-I8 VanDerWaalsContact O-N 3.14Å
7	H	47.2	Very low	44.4	Very low	165 Å²	165	140.9 Å²	140.9	76%	0.764	78%	0.777	S	S	*	*			trans	-82.4	87.8	165.8	-160.4	70.6	0	0	0	108.5	N5 I9	N5-H7 PolarHBondContact O-N 3.19Å; N5-H7 VanDerWaalsContact O-N 3.1Å; H7-I9 PolarHBondContact O-N 3.2Å
8	I	47.1	Very low	44.5	Very low	142 Å²	142	137.5 Å²	137.5	73%	0.728	76%	0.763	S	S	*	*			trans	-64	100.5	168.5	-61.8	167	0	0	0	106.4	S6 S10	S6-I8 VanDerWaalsContact C-N 3.33Å; S6-I8 PolarHBondContact O-N 2.78Å; S6-I8 VanDerWaalsContact O-N 3.14Å; I8-S10 PolarHBondContact O-N 3.33Å
9	I	45	Very low	44.3	Very low	132 Å²	132	135.7 Å²	135.7	68%	0.677	76%	0.761	S	S	*	*			trans	-71.7	90.6	168.9	-61.5	173.7	0	0	0	106.7	H7 Q11	H7-I9 PolarHBondContact O-N 3.2Å; I9-Q11 HydrophobicContact CG2-CB 4.43Å; I9-Q11 HydrophobicContact CG2-CG 4.26Å; I9-Q11 PolarHBondContact O-N 3.29Å
10	S	39.2	Very low	44.3	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	75%	0.754	S	S	*	*			trans	-74.7	95.1	164.2	-170.8	0	0	0	0	107.7	I8	I8-S10 PolarHBondContact O-N 3.33Å
11	Q	41.6	Very low	44.3	Very low	150 Å²	150	130 Å²	130	70%	0.701	73%	0.734	S	S	*	*			trans	-134.6	88.7	161.4	-74.7	-165.6	-14.3	0	0	108.5	I9 N13	I9-Q11 HydrophobicContact CG2-CB 4.43Å; I9-Q11 HydrophobicContact CG2-CG 4.26Å; I9-Q11 PolarHBondContact O-N 3.29Å; Q11-N13 HydrophobicContact CB-CB 4.26Å; Q11-N13 PolarHBondContact O-N 2.88Å
12	N	41.1	Very low	44.7	Very low	160 Å²	160	125.2 Å²	125.2	86%	0.856	72%	0.719	S	S	*	*			trans	-54	75.5	142.7	-70.8	-28.1	0	0	0	108.2
13	N	43.2	Very low	45	Very low	118 Å²	118	122.9 Å²	122.9	63%	0.631	70%	0.702	S	S	*	*			trans	-115.3	54.3	167.5	-157.7	35.3	0	0	0	107.1	Q11 K15	Q11-N13 HydrophobicContact CB-CB 4.26Å; Q11-N13 PolarHBondContact O-N 2.88Å; N13-K15 PolarHBondContact O-N 3.13Å
14	V	40.6	Very low	45.5	Very low	121 Å²	121	127.8 Å²	127.8	73%	0.733	71%	0.713	S	S	*	*			trans	-66.1	86.3	162.4	-179	0	0	0	0	105.3	S16	V14-S16 PolarHBondContact O-N 2.67Å
15	K	44.5	Very low	46.2	Very low	179 Å²	179	122.2 Å²	122.2	78%	0.778	69%	0.686	S	S	*	*			trans	-62.4	95.6	166.9	-152.9	175.3	-176.4	-174.3	0	104.3	N13 E17	N13-K15 PolarHBondContact O-N 3.13Å; K15-E17 PolarHBondContact O-N 3.5Å
16	S	46.7	Very low	47.1	Very low	99 Å²	99	118.1 Å²	118.1	69%	0.692	66%	0.663	S	S	*	*			trans	-53.3	124.6	-175.6	-65.6	0	0	0	0	107.9	V14	V14-S16 PolarHBondContact O-N 2.67Å
17	E	49.6	Very low	47.9	Very low	174 Å²	174	123.7 Å²	123.7	81%	0.813	67%	0.67	S	S	*	*			trans	-50.7	142.4	170.3	-74.1	-179.2	93	0	0	108.6	K15 S19	K15-E17 PolarHBondContact O-N 3.5Å; E17-S19 PolarHBondContact O-N 3.16Å
18	P	44.9	Very low	48.7	Very low	80 Å²	80	119.7 Å²	119.7	52%	0.519	65%	0.65	S	S	.	*			trans	-56.7	109.3	175.5	23.5	-31.2	0	0	0	107.7	V20 W74	P18-V20 PolarHBondContact O-N 2.93Å; P18-W74 HydrophobicContact CB-CH2 4.18Å; P18-W74 HydrophobicContact CG-CH2 4.35Å
19	S	42.3	Very low	49.5	Very low	104 Å²	104	113 Å²	113	73%	0.727	62%	0.616	S	S	*	*			trans	-62.5	110.7	172.2	-72	0	0	0	0	106.5	E17 S21	E17-S19 PolarHBondContact O-N 3.16Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.39Å
20	V	43.9	Very low	50.5	Low	104 Å²	104	109.4 Å²	109.4	63%	0.63	60%	0.602	S	S	*	*			trans	-62.9	96.9	171.8	179.6	0	0	0	0	106.3	P18 T22 A67	P18-V20 PolarHBondContact O-N 2.93Å; V20-T22 PolarHBondContact O-N 2.88Å; V20-A67 HydrophobicContact CG1-CB 4.44Å
21	S	42.9	Very low	51.8	Low	48 Å²	48	108.4 Å²	108.4	34%	0.336	59%	0.589	S	S	.	*	B	Isolated β-bridge	trans	-72.7	121.9	176.5	-164.9	0	0	0	0	107.7	S19 C23	S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.39Å; S21-C23 PolarHBondContact O-N 3.38Å; S21-C23 VanDerWaalsContact OG-CB 3.23Å; S21-C23 WeakPolarHBondContact OG-CB 3.4Å; S21-C23 PolarHBondContact OG-N 3.06Å; S21-C23 PolarHBondContact OG-SG 3.4Å; S21-C23 VanDerWaalsContact OG-SG 3.4Å
22	T	49.4	Very low	53	Low	142 Å²	142	101.3 Å²	101.3	87%	0.871	56%	0.556	S	S	*	*			trans	-75.1	-3.4	166.4	50.1	0	0	0	0	111.8	V20	V20-T22 PolarHBondContact O-N 2.88Å
23	C	51.6	Low	54.3	Low	85 Å²	85	94.9 Å²	94.9	57%	0.574	52%	0.521	S	S	*	.	S	Bend	trans	-68.8	131.9	173.7	-58.3	0	0	0	0	109.2	S21	S21-C23 PolarHBondContact O-N 3.38Å; S21-C23 VanDerWaalsContact OG-CB 3.23Å; S21-C23 WeakPolarHBondContact OG-CB 3.4Å; S21-C23 PolarHBondContact OG-N 3.06Å; S21-C23 PolarHBondContact OG-SG 3.4Å; S21-C23 VanDerWaalsContact OG-SG 3.4Å
24	L	56.5	Low	55.4	Low	161 Å²	161	93 Å²	93	84%	0.843	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-53.8	142.2	167.8	-67.7	172.2	0	0	0	109	D26	L24-D26 PolarHBondContact O-N 2.9Å
25	P	58.3	Low	56.7	Low	41 Å²	41	88 Å²	88	27%	0.266	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-47.6	141.2	171	-7.2	-0.6	0	0	0	111.1	S30 Y68	P25-S30 VanDerWaalsContact CB-OG 3.27Å; P25-S30 WeakPolarHBondContact CB-OG 3.4Å; P25-S30 WeakPolarHBondContact CG-OG 3.22Å; P25-Y68 VanDerWaalsContact CA-OH 3.3Å; P25-Y68 WeakPolarHBondContact CA-OH 3.29Å; P25-Y68 HydrophobicContact CB-CD2 4.05Å; P25-Y68 HydrophobicContact CB-CE2 3.2Å; P25-Y68 WeakPolarHBondContact CB-OH 3.4Å; P25-Y68 HydrophobicContact CG-CD2 3.67Å; P25-Y68 HydrophobicContact CG-CE2 3.32Å
26	D	65.3	Low	57.8	Low	80 Å²	80	79.7 Å²	79.7	43%	0.428	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-60.9	160.5	159	75.3	-87.7	0	0	0	109.6	L24 K28 T29 S30	L24-D26 PolarHBondContact O-N 2.9Å; D26-K28 PolarHBondContact O-N 3.25Å; D26-K28 WeakPolarHBondContact OD2-CA 3.35Å; D26-K28 WeakPolarHBondContact OD2-CB 3.35Å; D26-K28 PolarHBondContact OD2-N 3.48Å; D26-T29 PolarHBondContact O-N 3.49Å; D26-T29 VanDerWaalsContact O-N 3.08Å; D26-T29 WeakPolarHBondContact OD1-CB 3.44Å; D26-T29 PolarHBondContact OD1-OG1 3.27Å; D26-T29 PolarHBondContact OD2-N 2.63Å; D26-T29 VanDerWaalsContact OD2-N 3.1Å; D26-S30 PolarHBondContact O-N 2.99Å
27	R	64.9	Low	58.7	Low	213 Å²	213	77.3 Å²	77.3	80%	0.804	43%	0.425	S	S	*	.	H	α-helix	trans	-57	-37.1	-175.6	-172.4	178.9	179	-170.9	-0.4	112.5	L31	R27-L31 HydrophobicContact CG-CD1 4.25Å; R27-L31 WeakPolarHBondContact O-CD1 3.01Å; R27-L31 VanDerWaalsContact O-CG 3.24Å; R27-L31 WeakPolarHBondContact O-CG 3.47Å; R27-L31 PolarHBondContact O-N 3.09Å; R27-L31 VanDerWaalsContact O-N 3.1Å
28	K	64.8	Low	59.5	Low	81 Å²	81	72.5 Å²	72.5	35%	0.352	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-46.4	178.6	-174.4	-178.7	177.7	-178.5	0	109.2	D26 L31 V32 D79	D26-K28 PolarHBondContact O-N 3.25Å; D26-K28 WeakPolarHBondContact OD2-CA 3.35Å; D26-K28 WeakPolarHBondContact OD2-CB 3.35Å; D26-K28 PolarHBondContact OD2-N 3.48Å; K28-L31 WeakPolarHBondContact O-CB 3.32Å; K28-L31 PolarHBondContact O-N 2.82Å; K28-V32 WeakPolarHBondContact O-CG2 3.46Å; K28-V32 PolarHBondContact O-N 3.34Å; K28-D79 PolarHBondContact NZ-O 2.95Å
29	T	62.9	Low	60.4	Low	3 Å²	3	69 Å²	69	2%	0.018	38%	0.382	C	S	.	.	H	α-helix	trans	-69.2	-37.6	-179.2	-52	0	0	0	0	113.4	D26 L31 V32 I33 Y68 W78	D26-T29 PolarHBondContact O-N 3.49Å; D26-T29 VanDerWaalsContact O-N 3.08Å; D26-T29 WeakPolarHBondContact OD1-CB 3.44Å; D26-T29 PolarHBondContact OD1-OG1 3.27Å; D26-T29 PolarHBondContact OD2-N 2.63Å; D26-T29 VanDerWaalsContact OD2-N 3.1Å; T29-L31 PolarHBondContact O-N 2.96Å; T29-V32 PolarHBondContact O-N 3.48Å; T29-I33 HydrophobicContact CG2-CD1 3.85Å; T29-I33 HydrophobicContact CG2-CG1 4.11Å; T29-I33 WeakPolarHBondContact O-CG1 3.36Å; T29-I33 PolarHBondContact O-N 3.2Å; T29-Y68 WeakPolarHBondContact CB-OH 3.15Å; T29-Y68 HydrophobicContact CG2-CE1 4.37Å; T29-Y68 HydrophobicContact CG2-CE2 3.63Å; T29-Y68 WeakPolarHBondContact CG2-OH 3.32Å; T29-Y68 PolarHBondContact OG1-OH 3.41Å; T29-W78 HydrophobicContact CG2-CH2 3.64Å; T29-W78 HydrophobicContact CG2-CZ2 3.41Å; T29-W78 VanDerWaalsContact CG2-CZ2 3.41Å
30	S	65.6	Low	61.3	Low	55 Å²	55	65.3 Å²	65.3	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-55.1	-44.3	170.5	-72.4	0	0	0	0	111.5	P25 D26 N34	P25-S30 VanDerWaalsContact CB-OG 3.27Å; P25-S30 WeakPolarHBondContact CB-OG 3.4Å; P25-S30 WeakPolarHBondContact CG-OG 3.22Å; D26-S30 PolarHBondContact O-N 2.99Å; S30-N34 VanDerWaalsContact O-CB 3.29Å; S30-N34 WeakPolarHBondContact O-CB 3.19Å; S30-N34 PolarHBondContact O-N 2.9Å
31	L	67	Low	62.2	Low	79 Å²	79	67.8 Å²	67.8	41%	0.414	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-43.8	178.4	-72.3	168.1	0	0	0	111.7	R27 K28 T29 N34 A35 V83	R27-L31 HydrophobicContact CG-CD1 4.25Å; R27-L31 WeakPolarHBondContact O-CD1 3.01Å; R27-L31 VanDerWaalsContact O-CG 3.24Å; R27-L31 WeakPolarHBondContact O-CG 3.47Å; R27-L31 PolarHBondContact O-N 3.09Å; R27-L31 VanDerWaalsContact O-N 3.1Å; K28-L31 WeakPolarHBondContact O-CB 3.32Å; K28-L31 PolarHBondContact O-N 2.82Å; T29-L31 PolarHBondContact O-N 2.96Å; L31-N34 PolarHBondContact O-N 3.24Å; L31-A35 VanDerWaalsContact O-CB 3.22Å; L31-A35 WeakPolarHBondContact O-CB 3.38Å; L31-A35 PolarHBondContact O-N 3.03Å; L31-V83 HydrophobicContact CB-CB 4.28Å; L31-V83 HydrophobicContact CB-CG1 3.88Å; L31-V83 HydrophobicContact CD1-CG2 4.41Å
32	V	66.8	Low	63.1	Low	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.2	-47.6	177	175.1	0	0	0	0	111	K28 T29 N34 A35 I36 W78 L81 V83 L89	K28-V32 WeakPolarHBondContact O-CG2 3.46Å; K28-V32 PolarHBondContact O-N 3.34Å; T29-V32 PolarHBondContact O-N 3.48Å; V32-N34 VanDerWaalsContact C-N 3.33Å; V32-N34 PolarHBondContact O-N 3.4Å; V32-A35 PolarHBondContact O-N 3.26Å; V32-I36 HydrophobicContact CG1-CD1 3.57Å; V32-I36 HydrophobicContact CG1-CG1 4.13Å; V32-I36 WeakPolarHBondContact O-CB 3.42Å; V32-I36 VanDerWaalsContact O-CG1 3.28Å; V32-I36 WeakPolarHBondContact O-CG1 3.18Å; V32-I36 PolarHBondContact O-N 2.85Å; V32-W78 HydrophobicContact CB-CH2 3.6Å; V32-W78 HydrophobicContact CB-CZ2 4.01Å; V32-W78 HydrophobicContact CB-CZ3 4.16Å; V32-W78 HydrophobicContact CG1-CE3 4.16Å; V32-W78 HydrophobicContact CG1-CH2 3.28Å; V32-W78 HydrophobicContact CG1-CZ2 4.09Å; V32-W78 HydrophobicContact CG1-CZ3 3.33Å; V32-W78 HydrophobicContact CG2-CH2 4.14Å; V32-W78 HydrophobicContact CG2-CZ2 4.12Å; V32-L81 HydrophobicContact CB-CD2 4.26Å; V32-L81 HydrophobicContact CG1-CD2 3.4Å; V32-L81 VanDerWaalsContact CG1-CD2 3.4Å; V32-L81 HydrophobicContact CG2-CD2 3.78Å; V32-V83 HydrophobicContact CB-CG1 4.4Å; V32-V83 HydrophobicContact CG2-CG1 3.42Å; V32-V83 VanDerWaalsContact CG2-CG1 3.42Å; V32-L89 HydrophobicContact CG1-CD2 4.27Å
33	I	68	Low	63.5	Low	26 Å²	26	64.2 Å²	64.2	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-46.2	178.3	-69	171.4	0	0	0	110.2	T29 A35 I36 Q37 Y68	T29-I33 HydrophobicContact CG2-CD1 3.85Å; T29-I33 HydrophobicContact CG2-CG1 4.11Å; T29-I33 WeakPolarHBondContact O-CG1 3.36Å; T29-I33 PolarHBondContact O-N 3.2Å; I33-A35 VanDerWaalsContact C-N 3.31Å; I33-A35 PolarHBondContact O-N 3.33Å; I33-I36 PolarHBondContact O-N 3.25Å; I33-Q37 HydrophobicContact CG2-CG 4.43Å; I33-Q37 WeakPolarHBondContact O-CB 3.17Å; I33-Q37 VanDerWaalsContact O-CG 3.26Å; I33-Q37 WeakPolarHBondContact O-CG 3.36Å; I33-Q37 PolarHBondContact O-N 3.23Å; I33-Y68 HydrophobicContact CD1-CD2 3.88Å; I33-Y68 HydrophobicContact CD1-CE2 3.46Å; I33-Y68 VanDerWaalsContact CD1-CE2 3.46Å
34	N	67.7	Low	63.7	Low	78 Å²	78	69.1 Å²	69.1	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-39.4	177.5	-173.9	54.9	0	0	0	111.9	S30 L31 V32 Q37 N38	S30-N34 VanDerWaalsContact O-CB 3.29Å; S30-N34 WeakPolarHBondContact O-CB 3.19Å; S30-N34 PolarHBondContact O-N 2.9Å; L31-N34 PolarHBondContact O-N 3.24Å; V32-N34 VanDerWaalsContact C-N 3.33Å; V32-N34 PolarHBondContact O-N 3.4Å; N34-Q37 PolarHBondContact O-N 3.31Å; N34-N38 WeakPolarHBondContact O-CB 3.21Å; N34-N38 VanDerWaalsContact O-CG 3.24Å; N34-N38 PolarHBondContact O-N 3.39Å; N34-N38 PolarHBondContact O-ND2 3.46Å
35	A	66.5	Low	63.4	Low	16 Å²	16	63.3 Å²	63.3	13%	0.132	32%	0.324	C	S	.	.	H	α-helix	trans	-70.2	-41.8	178.9	0	0	0	0	0	111.9	L31 V32 I33 N38 V39 L89	L31-A35 VanDerWaalsContact O-CB 3.22Å; L31-A35 WeakPolarHBondContact O-CB 3.38Å; L31-A35 PolarHBondContact O-N 3.03Å; V32-A35 PolarHBondContact O-N 3.26Å; I33-A35 VanDerWaalsContact C-N 3.31Å; I33-A35 PolarHBondContact O-N 3.33Å; A35-N38 PolarHBondContact O-N 3.48Å; A35-V39 WeakPolarHBondContact O-CB 3.46Å; A35-V39 WeakPolarHBondContact O-CG2 3.35Å; A35-V39 PolarHBondContact O-N 3.06Å; A35-L89 HydrophobicContact CB-CD1 3.43Å; A35-L89 VanDerWaalsContact CB-CD1 3.43Å; A35-L89 HydrophobicContact CB-CD2 4.18Å; A35-L89 HydrophobicContact CB-CG 4.44Å
36	I	68.1	Low	63	Low	4 Å²	4	65.7 Å²	65.7	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-58.9	-47.1	170.9	-71.5	171.2	0	0	0	110	V32 I33 N38 V39 L40 F52 F75 L89 V93	V32-I36 HydrophobicContact CG1-CD1 3.57Å; V32-I36 HydrophobicContact CG1-CG1 4.13Å; V32-I36 WeakPolarHBondContact O-CB 3.42Å; V32-I36 VanDerWaalsContact O-CG1 3.28Å; V32-I36 WeakPolarHBondContact O-CG1 3.18Å; V32-I36 PolarHBondContact O-N 2.85Å; I33-I36 PolarHBondContact O-N 3.25Å; I36-N38 VanDerWaalsContact C-N 3.31Å; I36-N38 PolarHBondContact O-N 3.36Å; I36-V39 PolarHBondContact O-N 3.35Å; I36-L40 HydrophobicContact CG2-CD1 3.56Å; I36-L40 HydrophobicContact CG2-CG 4.2Å; I36-L40 WeakPolarHBondContact O-CB 3.4Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 2.97Å; I36-F52 HydrophobicContact CG2-CE2 4.19Å; I36-F52 HydrophobicContact CG2-CZ 4.2Å; I36-F75 HydrophobicContact CD1-CE2 3.8Å; I36-F75 HydrophobicContact CD1-CZ 3.84Å; I36-L89 HydrophobicContact CG1-CD2 4.04Å; I36-V93 HydrophobicContact CB-CG2 4.27Å; I36-V93 HydrophobicContact CG1-CG2 3.96Å; I36-V93 HydrophobicContact CG2-CG2 3.76Å
37	Q	66.1	Low	62.3	Low	50 Å²	50	65.1 Å²	65.1	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-40.5	176.4	-76.4	178.9	-10.9	0	0	112.1	I33 N34 L40 K41	I33-Q37 HydrophobicContact CG2-CG 4.43Å; I33-Q37 WeakPolarHBondContact O-CB 3.17Å; I33-Q37 VanDerWaalsContact O-CG 3.26Å; I33-Q37 WeakPolarHBondContact O-CG 3.36Å; I33-Q37 PolarHBondContact O-N 3.23Å; N34-Q37 PolarHBondContact O-N 3.31Å; Q37-L40 PolarHBondContact O-N 2.9Å; Q37-K41 WeakPolarHBondContact O-CB 3.34Å; Q37-K41 WeakPolarHBondContact O-CG 3.38Å; Q37-K41 PolarHBondContact O-N 2.84Å
38	N	65.8	Low	61.4	Low	73 Å²	73	55.6 Å²	55.6	39%	0.39	31%	0.306	S	S	.	.	H	α-helix	trans	-67.5	-41.9	176.5	-74.2	-18.8	0	0	0	112.1	N34 A35 I36 K41 S42	N34-N38 WeakPolarHBondContact O-CB 3.21Å; N34-N38 VanDerWaalsContact O-CG 3.24Å; N34-N38 PolarHBondContact O-N 3.39Å; N34-N38 PolarHBondContact O-ND2 3.46Å; A35-N38 PolarHBondContact O-N 3.48Å; I36-N38 VanDerWaalsContact C-N 3.31Å; I36-N38 PolarHBondContact O-N 3.36Å; N38-K41 PolarHBondContact O-N 3.15Å; N38-S42 WeakPolarHBondContact O-CB 3.48Å; N38-S42 PolarHBondContact O-N 3.28Å; N38-S42 PolarHBondContact O-OG 2.82Å
39	V	64.8	Low	60.4	Low	6 Å²	6	58 Å²	58	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-46.8	174.1	159.8	0	0	0	0	110.9	A35 I36 S42 S43 L89 K90 V93	A35-V39 WeakPolarHBondContact O-CB 3.46Å; A35-V39 WeakPolarHBondContact O-CG2 3.35Å; A35-V39 PolarHBondContact O-N 3.06Å; I36-V39 PolarHBondContact O-N 3.35Å; V39-S42 CarbonylContact O-C 3.48Å; V39-S42 PolarHBondContact O-N 3.35Å; V39-S42 VanDerWaalsContact O-N 3.16Å; V39-S42 PolarHBondContact O-OG 2.85Å; V39-S43 WeakPolarHBondContact O-CB 3.43Å; V39-S43 PolarHBondContact O-N 2.95Å; V39-L89 HydrophobicContact CG2-CB 4.13Å; V39-K90 HydrophobicContact CB-CG 4.23Å; V39-K90 HydrophobicContact CG1-CB 4.16Å; V39-K90 HydrophobicContact CG1-CG 3.41Å; V39-K90 VanDerWaalsContact CG1-CG 3.41Å; V39-K90 HydrophobicContact CG2-CG 3.83Å; V39-V93 HydrophobicContact CG1-CB 4.45Å; V39-V93 HydrophobicContact CG1-CG2 4.34Å
40	L	60.9	Low	59.4	Low	26 Å²	26	65.4 Å²	65.4	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-40.9	178.4	-70.2	167.8	0	0	0	111.9	I36 Q37 S42 S43 N48 F52 V93	I36-L40 HydrophobicContact CG2-CD1 3.56Å; I36-L40 HydrophobicContact CG2-CG 4.2Å; I36-L40 WeakPolarHBondContact O-CB 3.4Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 2.97Å; Q37-L40 PolarHBondContact O-N 2.9Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 2.93Å; L40-S43 CarbonylContact O-C 3.43Å; L40-S43 PolarHBondContact O-N 3.17Å; L40-S43 VanDerWaalsContact O-N 3.13Å; L40-N48 HydrophobicContact CD2-CB 3.59Å; L40-F52 HydrophobicContact CD1-CD2 3.4Å; L40-F52 VanDerWaalsContact CD1-CD2 3.4Å; L40-F52 HydrophobicContact CD1-CE2 3.24Å; L40-F52 HydrophobicContact CD1-CG 4.44Å; L40-F52 HydrophobicContact CD1-CZ 4.18Å; L40-V93 HydrophobicContact CD2-CG1 3.45Å; L40-V93 VanDerWaalsContact CD2-CG1 3.45Å; L40-V93 HydrophobicContact CG-CG1 4.12Å
41	K	62.7	Low	58.6	Low	157 Å²	157	66 Å²	66	68%	0.683	35%	0.346	S	S	*	.	H	α-helix	trans	-61.8	-34.3	172.7	-75.9	170.6	-177.1	175.7	0	112.2	Q37 N38	Q37-K41 WeakPolarHBondContact O-CB 3.34Å; Q37-K41 WeakPolarHBondContact O-CG 3.38Å; Q37-K41 PolarHBondContact O-N 2.84Å; N38-K41 PolarHBondContact O-N 3.15Å
42	S	62.2	Low	57.6	Low	70 Å²	70	64.3 Å²	64.3	49%	0.49	34%	0.335	S	S	.	.	H	α-helix	trans	-77.2	-23.6	175.3	76.8	0	0	0	0	113.1	N38 V39 L40 H44	N38-S42 WeakPolarHBondContact O-CB 3.48Å; N38-S42 PolarHBondContact O-N 3.28Å; N38-S42 PolarHBondContact O-OG 2.82Å; V39-S42 CarbonylContact O-C 3.48Å; V39-S42 PolarHBondContact O-N 3.35Å; V39-S42 VanDerWaalsContact O-N 3.16Å; V39-S42 PolarHBondContact O-OG 2.85Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 2.93Å; S42-H44 PolarHBondContact O-N 3.47Å
43	S	58	Low	56.4	Low	44 Å²	44	67.2 Å²	67.2	31%	0.308	35%	0.349	S	S	.	.			trans	-85.4	103.8	178	-169.1	0	0	0	0	108.6	V39 L40 S45 N48	V39-S43 WeakPolarHBondContact O-CB 3.43Å; V39-S43 PolarHBondContact O-N 2.95Å; L40-S43 CarbonylContact O-C 3.43Å; L40-S43 PolarHBondContact O-N 3.17Å; L40-S43 VanDerWaalsContact O-N 3.13Å; S43-S45 PolarHBondContact O-N 3.37Å; S43-N48 PolarHBondContact OG-ND2 2.89Å
44	H	53.7	Low	55.3	Low	189 Å²	189	70.8 Å²	70.8	88%	0.875	38%	0.376	S	S	*	.			trans	-65.4	20.1	174	-77.2	-114.8	0	0	0	113.7	S42 P46	S42-H44 PolarHBondContact O-N 3.47Å; H44-P46 VanDerWaalsContact O-CD 3.29Å; H44-P46 WeakPolarHBondContact O-CD 3.17Å
45	S	51.4	Low	54.4	Low	39 Å²	39	69.3 Å²	69.3	27%	0.273	37%	0.368	S	S	.	.			trans	-85.1	113.4	-178	-172.8	0	0	0	0	110.1	S43 S47 N48	S43-S45 PolarHBondContact O-N 3.37Å; S45-S47 PolarHBondContact O-N 2.87Å; S45-S47 PolarHBondContact OG-OG 3.2Å; S45-N48 WeakPolarHBondContact O-CB 3.12Å; S45-N48 PolarHBondContact O-N 3.47Å
46	P	50.3	Low	53.2	Low	91 Å²	91	71 Å²	71	59%	0.591	39%	0.387	S	S	*	.	H	α-helix	trans	-60.3	-27.2	177.3	21.8	-30.2	0	0	0	112.1	H44 N48 F49	H44-P46 VanDerWaalsContact O-CD 3.29Å; H44-P46 WeakPolarHBondContact O-CD 3.17Å; P46-N48 PolarHBondContact O-N 2.78Å; P46-F49 WeakPolarHBondContact O-CB 3.35Å; P46-F49 PolarHBondContact O-N 3.41Å
47	S	49.2	Very low	52	Low	67 Å²	67	78.6 Å²	78.6	47%	0.469	42%	0.422	S	S	.	.	H	α-helix	trans	-59.7	-36.3	175.4	-26.6	0	0	0	0	112.4	S45 F49	S45-S47 PolarHBondContact O-N 2.87Å; S45-S47 PolarHBondContact OG-OG 3.2Å; S47-F49 VanDerWaalsContact C-N 3.3Å; S47-F49 PolarHBondContact O-N 3.27Å
48	N	46.8	Very low	50.6	Low	14 Å²	14	79.1 Å²	79.1	8%	0.075	43%	0.431	C	S	.	.	H	α-helix	trans	-78.2	-18.9	-176.9	-72.9	-2.4	0	0	0	112.2	L40 S43 S45 P46 S97	L40-N48 HydrophobicContact CD2-CB 3.59Å; S43-N48 PolarHBondContact OG-ND2 2.89Å; S45-N48 WeakPolarHBondContact O-CB 3.12Å; S45-N48 PolarHBondContact O-N 3.47Å; P46-N48 PolarHBondContact O-N 2.78Å; N48-S97 PolarHBondContact OD1-OG 3.18Å
49	F	44.1	Very low	49	Very low	130 Å²	130	77.7 Å²	77.7	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-76	-35.1	178.6	-167.2	-110.7	0	0	0	112.3	P46 S47 V51 F52 Q53	P46-F49 WeakPolarHBondContact O-CB 3.35Å; P46-F49 PolarHBondContact O-N 3.41Å; S47-F49 VanDerWaalsContact C-N 3.3Å; S47-F49 PolarHBondContact O-N 3.27Å; F49-V51 PolarHBondContact O-N 2.85Å; F49-F52 PolarHBondContact O-N 2.86Å; F49-Q53 HydrophobicContact CD1-CG 4.33Å; F49-Q53 HydrophobicContact CE1-CG 3.98Å; F49-Q53 PolarHBondContact O-N 3.3Å
50	W	41.4	Very low	47.7	Very low	159 Å²	159	84.7 Å²	84.7	60%	0.602	48%	0.479	S	S	*	.	H	α-helix	trans	-66.1	-33.3	-176.5	-70.5	104	0	0	0	114.2	F52 Q53 S54	W50-F52 PolarHBondContact O-N 3.42Å; W50-Q53 PolarHBondContact O-N 3.07Å; W50-S54 PolarHBondContact O-N 3.4Å; W50-S54 PolarHBondContact O-OG 3.24Å
51	V	48.1	Very low	46.6	Very low	69 Å²	69	88.6 Å²	88.6	42%	0.418	51%	0.508	S	S	.	.	H	α-helix	trans	-60.4	-32.7	178.1	-179.3	0	0	0	0	111.1	F49	F49-V51 PolarHBondContact O-N 2.85Å
52	F	46.3	Very low	45.2	Very low	42 Å²	42	84.4 Å²	84.4	18%	0.184	50%	0.496	C	S	.	.	H	α-helix	trans	-102.6	-21.4	178.4	-81.9	-89.4	0	0	0	114.4	I36 L40 F49 W50 S54 L55 G56 F71	I36-F52 HydrophobicContact CG2-CE2 4.19Å; I36-F52 HydrophobicContact CG2-CZ 4.2Å; L40-F52 HydrophobicContact CD1-CD2 3.4Å; L40-F52 VanDerWaalsContact CD1-CD2 3.4Å; L40-F52 HydrophobicContact CD1-CE2 3.24Å; L40-F52 HydrophobicContact CD1-CG 4.44Å; L40-F52 HydrophobicContact CD1-CZ 4.18Å; F49-F52 PolarHBondContact O-N 2.86Å; W50-F52 PolarHBondContact O-N 3.42Å; F52-S54 PolarHBondContact O-N 3.35Å; F52-L55 HydrophobicContact CD1-CD1 3.93Å; F52-L55 HydrophobicContact CE1-CD1 4.11Å; F52-L55 CarbonylContact O-C 3.56Å; F52-L55 WeakPolarHBondContact O-CA 3.3Å; F52-L55 WeakPolarHBondContact O-CB 3.18Å; F52-L55 PolarHBondContact O-N 2.81Å; F52-G56 PolarHBondContact O-N 3.02Å; F52-F71 HydrophobicContact CE1-CZ 4.05Å; F52-F71 HydrophobicContact CZ-CE1 4.45Å; F52-F71 HydrophobicContact CZ-CE2 4.42Å; F52-F71 AromaticContact CZ-CZ 3.84Å; F52-F71 HydrophobicContact CZ-CZ 3.84Å
53	Q	42	Very low	43.9	Very low	61 Å²	61	86 Å²	86	29%	0.285	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-31.5	173	-136.6	-175.3	22.5	0	0	111.4	F49 W50 L55 G56	F49-Q53 HydrophobicContact CD1-CG 4.33Å; F49-Q53 HydrophobicContact CE1-CG 3.98Å; F49-Q53 PolarHBondContact O-N 3.3Å; W50-Q53 PolarHBondContact O-N 3.07Å; Q53-L55 PolarHBondContact O-N 2.78Å; Q53-G56 PolarHBondContact O-N 3.21Å
54	S	45	Very low	42.8	Very low	101 Å²	101	90.4 Å²	90.4	71%	0.706	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-21.6	170.4	-50	0	0	0	0	113.2	W50 F52	W50-S54 PolarHBondContact O-N 3.4Å; W50-S54 PolarHBondContact O-OG 3.24Å; F52-S54 PolarHBondContact O-N 3.35Å
55	L	48.1	Very low	41.9	Very low	47 Å²	47	89.4 Å²	89.4	25%	0.246	52%	0.523	C	S	.	.	H	α-helix	trans	-100	-15.3	176.6	-70.6	160.8	0	0	0	113.4	F52 Q53 V69 F71	F52-L55 HydrophobicContact CD1-CD1 3.93Å; F52-L55 HydrophobicContact CE1-CD1 4.11Å; F52-L55 CarbonylContact O-C 3.56Å; F52-L55 WeakPolarHBondContact O-CA 3.3Å; F52-L55 WeakPolarHBondContact O-CB 3.18Å; F52-L55 PolarHBondContact O-N 2.81Å; Q53-L55 PolarHBondContact O-N 2.78Å; L55-V69 HydrophobicContact CD2-CG2 3.53Å; L55-F71 HydrophobicContact CD1-CZ 4.05Å
56	G	42.7	Very low	41.4	Very low	51 Å²	51	92 Å²	92	53%	0.526	53%	0.533	S	S	.	.	H	α-helix	trans	-101.5	2.8	-173	0	0	0	0	0	115.5	F52 Q53 S58	F52-G56 PolarHBondContact O-N 3.02Å; Q53-G56 PolarHBondContact O-N 3.21Å; G56-S58 VanDerWaalsContact C-N 3.33Å; G56-S58 PolarHBondContact O-N 3.41Å
57	H	41.7	Very low	41	Very low	164 Å²	164	90 Å²	90	76%	0.759	52%	0.524	S	S	*	.			trans	-91.3	25.5	-177.4	-97.7	179.8	0	0	0	115.3
58	S	37.2	Very low	41.1	Very low	62 Å²	62	88.2 Å²	88.2	43%	0.434	51%	0.508	S	S	.	.	S	Bend	trans	-94.9	112.1	155.6	11.2	0	0	0	0	107.6	G56	G56-S58 VanDerWaalsContact C-N 3.33Å; G56-S58 PolarHBondContact O-N 3.41Å
59	G	33.1	Very low	41.3	Very low	43 Å²	43	89.3 Å²	89.3	44%	0.443	52%	0.515	S	S	.	.			trans	-55.6	-179	-172.4	0	0	0	0	0	115.9	S61 V62	G59-S61 PolarHBondContact O-N 2.98Å; G59-V62 PolarHBondContact O-N 2.91Å
60	P	36.3	Very low	41.9	Very low	152 Å²	152	84.4 Å²	84.4	99%	0.987	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	23.1	-166.8	27.1	-34.8	0	0	0	116.4
61	S	37.5	Very low	42.9	Very low	108 Å²	108	78 Å²	78	76%	0.755	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	11.2	-177.6	38.8	0	0	0	0	113.8	G59	G59-S61 PolarHBondContact O-N 2.98Å
62	V	35	Very low	43.6	Very low	70 Å²	70	80.8 Å²	80.8	42%	0.424	47%	0.474	S	S	.	.			trans	-105.9	106.9	173.5	-172.9	0	0	0	0	110	G59 T64 K65	G59-V62 PolarHBondContact O-N 2.91Å; V62-T64 PolarHBondContact O-N 3.41Å; V62-K65 HydrophobicContact CG1-CB 4.05Å
63	P	33.4	Very low	44.3	Very low	104 Å²	104	83.6 Å²	83.6	68%	0.675	50%	0.496	S	S	*	.			trans	-68.1	108.3	176.4	27.8	-30	0	0	0	107.7	K65	P63-K65 PolarHBondContact O-N 3.11Å
64	T	35.3	Very low	44.9	Very low	136 Å²	136	84.9 Å²	84.9	83%	0.834	50%	0.499	S	S	*	.	S	Bend	trans	51.7	28.9	150.7	-29.5	0	0	0	0	114.9	V62 L66	V62-T64 PolarHBondContact O-N 3.41Å; T64-L66 PolarHBondContact O-N 2.79Å
65	K	34.8	Very low	45.8	Very low	168 Å²	168	80.9 Å²	80.9	73%	0.73	47%	0.469	S	S	*	.			trans	-92.8	58.2	159.4	-77.6	-173.9	179.1	179.8	0	107	V62 P63 A67	V62-K65 HydrophobicContact CG1-CB 4.05Å; P63-K65 PolarHBondContact O-N 3.11Å; K65-A67 PolarHBondContact O-N 3.43Å
66	L	41.5	Very low	46.4	Very low	92 Å²	92	87.1 Å²	87.1	48%	0.482	49%	0.494	S	S	.	.			trans	-58.2	96.5	141.8	-87.5	160.1	0	0	0	102.9	T64 Y68	T64-L66 PolarHBondContact O-N 2.79Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 2.82Å
67	A	41.2	Very low	47.4	Very low	49 Å²	49	86.3 Å²	86.3	41%	0.405	49%	0.485	S	S	.	.			trans	-42.5	114.3	163.2	0	0	0	0	0	103.8	V20 K65 V69	V20-A67 HydrophobicContact CG1-CB 4.44Å; K65-A67 PolarHBondContact O-N 3.43Å; A67-V69 WeakPolarHBondContact O-CG2 3.22Å; A67-V69 PolarHBondContact O-N 3.39Å
68	Y	50.9	Low	48.7	Very low	31 Å²	31	79.1 Å²	79.1	12%	0.122	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-70.5	88.7	-174.6	-175.6	-99.6	0	0	0	105.2	P25 T29 I33 L66 D70	P25-Y68 VanDerWaalsContact CA-OH 3.3Å; P25-Y68 WeakPolarHBondContact CA-OH 3.29Å; P25-Y68 HydrophobicContact CB-CD2 4.05Å; P25-Y68 HydrophobicContact CB-CE2 3.2Å; P25-Y68 WeakPolarHBondContact CB-OH 3.4Å; P25-Y68 HydrophobicContact CG-CD2 3.67Å; P25-Y68 HydrophobicContact CG-CE2 3.32Å; T29-Y68 WeakPolarHBondContact CB-OH 3.15Å; T29-Y68 HydrophobicContact CG2-CE1 4.37Å; T29-Y68 HydrophobicContact CG2-CE2 3.63Å; T29-Y68 WeakPolarHBondContact CG2-OH 3.32Å; T29-Y68 PolarHBondContact OG1-OH 3.41Å; I33-Y68 HydrophobicContact CD1-CD2 3.88Å; I33-Y68 HydrophobicContact CD1-CE2 3.46Å; I33-Y68 VanDerWaalsContact CD1-CE2 3.46Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 2.82Å; Y68-D70 VanDerWaalsContact C-N 3.26Å; Y68-D70 PolarHBondContact O-N 3.18Å
69	V	52.4	Low	50.2	Low	36 Å²	36	82.9 Å²	82.9	22%	0.218	47%	0.467	C	S	.	.			trans	-66.7	100.4	174.2	167.9	0	0	0	0	102.6	L55 A67 F71 W74	L55-V69 HydrophobicContact CD2-CG2 3.53Å; A67-V69 WeakPolarHBondContact O-CG2 3.22Å; A67-V69 PolarHBondContact O-N 3.39Å; V69-F71 VanDerWaalsContact C-N 3.25Å; V69-F71 HydrophobicContact CB-CD2 4.41Å; V69-F71 HydrophobicContact CB-CE1 4.24Å; V69-F71 HydrophobicContact CB-CE2 3.93Å; V69-F71 HydrophobicContact CB-CZ 3.83Å; V69-F71 HydrophobicContact CG1-CD1 3.72Å; V69-F71 HydrophobicContact CG1-CD2 4.21Å; V69-F71 HydrophobicContact CG1-CE1 3.42Å; V69-F71 VanDerWaalsContact CG1-CE1 3.42Å; V69-F71 HydrophobicContact CG1-CE2 3.95Å; V69-F71 HydrophobicContact CG1-CG 4.07Å; V69-F71 HydrophobicContact CG1-CZ 3.54Å; V69-F71 WeakPolarHBondContact O-CD2 3.19Å; V69-F71 VanDerWaalsContact O-CE2 3.3Å; V69-F71 WeakPolarHBondContact O-CE2 3.19Å; V69-F71 WeakPolarHBondContact O-CG 3.49Å; V69-F71 PolarHBondContact O-N 3.43Å; V69-W74 HydrophobicContact CB-CZ3 4.28Å; V69-W74 HydrophobicContact CG1-CE3 3.83Å; V69-W74 HydrophobicContact CG1-CH2 3.69Å; V69-W74 HydrophobicContact CG1-CZ3 3.05Å
70	D	56.8	Low	51.8	Low	27 Å²	27	88.8 Å²	88.8	14%	0.144	48%	0.483	C	S	.	.			trans	-64.4	96.7	177.3	179.2	8	0	0	0	106.6	Y68 R72 P73 W74	Y68-D70 VanDerWaalsContact C-N 3.26Å; Y68-D70 PolarHBondContact O-N 3.18Å; D70-R72 VanDerWaalsContact CG-NE 3.25Å; D70-R72 PolarHBondContact O-N 2.68Å; D70-R72 WeakPolarHBondContact OD1-CB 3.29Å; D70-R72 WeakPolarHBondContact OD1-CD 3.22Å; D70-R72 WeakPolarHBondContact OD1-CG 3.5Å; D70-R72 IonicContact OD1-CZ 3.25Å; D70-R72 PolarHBondContact OD1-N 2.81Å; D70-R72 VanDerWaalsContact OD1-N 3.09Å; D70-R72 IonicContact OD1-NE 3.02Å; D70-R72 PolarHBondContact OD1-NE 2.97Å; D70-R72 IonicContact OD1-NH2 3.74Å; D70-R72 IonicContact OD2-CZ 3.66Å; D70-R72 VanDerWaalsContact OD2-CZ 3.25Å; D70-R72 IonicContact OD2-NE 2.75Å; D70-R72 PolarHBondContact OD2-NE 3.42Å; D70-R72 IonicContact OD2-NH2 2.68Å; D70-R72 PolarHBondContact OD2-NH2 2.78Å; D70-P73 WeakPolarHBondContact O-CD 3.21Å; D70-W74 WeakPolarHBondContact O-CZ3 3.3Å
71	F	61.1	Low	53.3	Low	24 Å²	24	82.1 Å²	82.1	11%	0.105	44%	0.439	C	S	.	.			trans	-80.3	-0.5	-178.4	-54.2	-94.5	0	0	0	113.9	F52 L55 V69 P73 W74 F75 W78	F52-F71 HydrophobicContact CE1-CZ 4.05Å; F52-F71 HydrophobicContact CZ-CE1 4.45Å; F52-F71 HydrophobicContact CZ-CE2 4.42Å; F52-F71 AromaticContact CZ-CZ 3.84Å; F52-F71 HydrophobicContact CZ-CZ 3.84Å; L55-F71 HydrophobicContact CD1-CZ 4.05Å; V69-F71 VanDerWaalsContact C-N 3.25Å; V69-F71 HydrophobicContact CB-CD2 4.41Å; V69-F71 HydrophobicContact CB-CE1 4.24Å; V69-F71 HydrophobicContact CB-CE2 3.93Å; V69-F71 HydrophobicContact CB-CZ 3.83Å; V69-F71 HydrophobicContact CG1-CD1 3.72Å; V69-F71 HydrophobicContact CG1-CD2 4.21Å; V69-F71 HydrophobicContact CG1-CE1 3.42Å; V69-F71 VanDerWaalsContact CG1-CE1 3.42Å; V69-F71 HydrophobicContact CG1-CE2 3.95Å; V69-F71 HydrophobicContact CG1-CG 4.07Å; V69-F71 HydrophobicContact CG1-CZ 3.54Å; V69-F71 WeakPolarHBondContact O-CD2 3.19Å; V69-F71 VanDerWaalsContact O-CE2 3.3Å; V69-F71 WeakPolarHBondContact O-CE2 3.19Å; V69-F71 WeakPolarHBondContact O-CG 3.49Å; V69-F71 PolarHBondContact O-N 3.43Å; F71-P73 VanDerWaalsContact C-CD 3.4Å; F71-P73 VanDerWaalsContact C-N 3.33Å; F71-W74 HydrophobicContact CB-CE3 3.99Å; F71-W74 AromaticContact CD1-CE3 3.61Å; F71-W74 HydrophobicContact CD1-CE3 3.61Å; F71-W74 HydrophobicContact CD1-CZ3 4.19Å; F71-W74 HydrophobicContact CE1-CE3 4.45Å; F71-W74 HydrophobicContact CG-CE3 4.04Å; F71-W74 HydrophobicContact CG-CZ3 4.47Å; F71-W74 PolarHBondContact O-N 2.74Å; F71-F75 HydrophobicContact CB-CD2 3.23Å; F71-F75 HydrophobicContact CB-CE2 3.16Å; F71-F75 HydrophobicContact CB-CG 4.49Å; F71-F75 HydrophobicContact CB-CZ 4.38Å; F71-F75 AromaticContact CD1-CE2 3.89Å; F71-F75 HydrophobicContact CD1-CE2 3.89Å; F71-F75 HydrophobicContact CD1-CZ 4.49Å; F71-F75 HydrophobicContact CD2-CE2 4.45Å; F71-F75 HydrophobicContact CG-CD2 4.23Å; F71-F75 AromaticContact CG-CE2 3.65Å; F71-F75 HydrophobicContact CG-CE2 3.65Å; F71-F75 WeakPolarHBondContact O-CD2 3.26Å; F71-F75 PolarHBondContact O-N 3.32Å; F71-W78 HydrophobicContact CB-CZ3 4.4Å
72	R	62.8	Low	54.7	Low	129 Å²	129	80.7 Å²	80.7	49%	0.487	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-43.5	176.4	-65.2	178.8	-69.1	-178.8	-0.4	113.1	D70 W74 F75 W78	D70-R72 VanDerWaalsContact CG-NE 3.25Å; D70-R72 PolarHBondContact O-N 2.68Å; D70-R72 WeakPolarHBondContact OD1-CB 3.29Å; D70-R72 WeakPolarHBondContact OD1-CD 3.22Å; D70-R72 WeakPolarHBondContact OD1-CG 3.5Å; D70-R72 IonicContact OD1-CZ 3.25Å; D70-R72 PolarHBondContact OD1-N 2.81Å; D70-R72 VanDerWaalsContact OD1-N 3.09Å; D70-R72 IonicContact OD1-NE 3.02Å; D70-R72 PolarHBondContact OD1-NE 2.97Å; D70-R72 IonicContact OD1-NH2 3.74Å; D70-R72 IonicContact OD2-CZ 3.66Å; D70-R72 VanDerWaalsContact OD2-CZ 3.25Å; D70-R72 IonicContact OD2-NE 2.75Å; D70-R72 PolarHBondContact OD2-NE 3.42Å; D70-R72 IonicContact OD2-NH2 2.68Å; D70-R72 PolarHBondContact OD2-NH2 2.78Å; R72-W74 VanDerWaalsContact C-N 3.26Å; R72-W74 PolarHBondContact O-N 3.48Å; R72-F75 PolarHBondContact O-N 3.46Å; R72-W78 HydrophobicContact CB-CG 4.41Å; R72-W78 HydrophobicContact CG-CD2 3.88Å; R72-W78 HydrophobicContact CG-CG 3.85Å; R72-W78 HydrophobicContact CG-CZ2 4.33Å
73	P	61.2	Low	56.2	Low	101 Å²	101	79.3 Å²	79.3	66%	0.656	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.8	178.1	-17.5	33.6	0	0	0	113.2	D70 F71	D70-P73 WeakPolarHBondContact O-CD 3.21Å; F71-P73 VanDerWaalsContact C-CD 3.4Å; F71-P73 VanDerWaalsContact C-N 3.33Å
74	W	55.8	Low	58	Low	88 Å²	88	79 Å²	79	33%	0.333	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-32.6	-179.8	-70	-49.2	0	0	0	111.8	P18 V69 D70 F71 R72 K76 N96 Q100	P18-W74 HydrophobicContact CB-CH2 4.18Å; P18-W74 HydrophobicContact CG-CH2 4.35Å; V69-W74 HydrophobicContact CB-CZ3 4.28Å; V69-W74 HydrophobicContact CG1-CE3 3.83Å; V69-W74 HydrophobicContact CG1-CH2 3.69Å; V69-W74 HydrophobicContact CG1-CZ3 3.05Å; D70-W74 WeakPolarHBondContact O-CZ3 3.3Å; F71-W74 HydrophobicContact CB-CE3 3.99Å; F71-W74 AromaticContact CD1-CE3 3.61Å; F71-W74 HydrophobicContact CD1-CE3 3.61Å; F71-W74 HydrophobicContact CD1-CZ3 4.19Å; F71-W74 HydrophobicContact CE1-CE3 4.45Å; F71-W74 HydrophobicContact CG-CE3 4.04Å; F71-W74 HydrophobicContact CG-CZ3 4.47Å; F71-W74 PolarHBondContact O-N 2.74Å; R72-W74 VanDerWaalsContact C-N 3.26Å; R72-W74 PolarHBondContact O-N 3.48Å; W74-K76 PolarHBondContact O-N 3.24Å; W74-N96 PolarHBondContact O-OD1 2.98Å; W74-Q100 PolarHBondContact O-NE2 3.1Å
75	F	62.3	Low	59.8	Low	17 Å²	17	74.5 Å²	74.5	8%	0.075	39%	0.385	C	S	.	.			trans	-96	95.2	-178.2	-68.6	-60.4	0	0	0	112.4	I36 F71 R72 G77 W78 L92 N96	I36-F75 HydrophobicContact CD1-CE2 3.8Å; I36-F75 HydrophobicContact CD1-CZ 3.84Å; F71-F75 HydrophobicContact CB-CD2 3.23Å; F71-F75 HydrophobicContact CB-CE2 3.16Å; F71-F75 HydrophobicContact CB-CG 4.49Å; F71-F75 HydrophobicContact CB-CZ 4.38Å; F71-F75 AromaticContact CD1-CE2 3.89Å; F71-F75 HydrophobicContact CD1-CE2 3.89Å; F71-F75 HydrophobicContact CD1-CZ 4.49Å; F71-F75 HydrophobicContact CD2-CE2 4.45Å; F71-F75 HydrophobicContact CG-CD2 4.23Å; F71-F75 AromaticContact CG-CE2 3.65Å; F71-F75 HydrophobicContact CG-CE2 3.65Å; F71-F75 WeakPolarHBondContact O-CD2 3.26Å; F71-F75 PolarHBondContact O-N 3.32Å; R72-F75 PolarHBondContact O-N 3.46Å; F75-G77 PolarHBondContact O-N 2.84Å; F75-W78 HydrophobicContact CB-CB 4.28Å; F75-W78 HydrophobicContact CB-CE3 3.85Å; F75-W78 AromaticContact CD2-CE3 3.64Å; F75-W78 HydrophobicContact CD2-CE3 3.64Å; F75-W78 AromaticContact CD2-CZ3 3.61Å; F75-W78 HydrophobicContact CD2-CZ3 3.61Å; F75-W78 HydrophobicContact CE2-CZ3 4.17Å; F75-W78 HydrophobicContact CG-CE3 4.08Å; F75-W78 HydrophobicContact CG-CZ3 4.43Å; F75-W78 WeakPolarHBondContact O-CB 3.3Å; F75-W78 PolarHBondContact O-N 3.1Å; F75-W78 VanDerWaalsContact O-N 3.12Å; F75-L92 HydrophobicContact CB-CD1 4.19Å; F75-L92 HydrophobicContact CB-CD2 4.09Å; F75-L92 HydrophobicContact CB-CG 4.47Å; F75-L92 HydrophobicContact CD1-CD1 3.68Å; F75-L92 HydrophobicContact CD1-CD2 3.5Å; F75-L92 HydrophobicContact CD1-CG 3.36Å; F75-L92 HydrophobicContact CE1-CD2 4.06Å; F75-L92 HydrophobicContact CE1-CG 3.83Å; F75-L92 HydrophobicContact CG-CD1 4.35Å; F75-L92 HydrophobicContact CG-CD2 3.85Å; F75-L92 HydrophobicContact CG-CG 4.17Å; F75-N96 HydrophobicContact CD1-CB 4.35Å; F75-N96 WeakPolarHBondContact CD1-ND2 3.27Å; F75-N96 HydrophobicContact CE1-CB 3.9Å; F75-N96 WeakPolarHBondContact CE1-ND2 3.15Å
76	K	60.8	Low	61.4	Low	178 Å²	178	72.2 Å²	72.2	77%	0.774	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125.5	162.9	-78.2	-171.9	178.3	180	0	109.3	W74 L92	W74-K76 PolarHBondContact O-N 3.24Å; K76-L92 WeakPolarHBondContact O-CD1 3.48Å
77	G	65.2	Low	62.9	Low	34 Å²	34	72.7 Å²	72.7	35%	0.351	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	10.2	-177.4	0	0	0	0	0	114.7	F75 D79 Q80 L81	F75-G77 PolarHBondContact O-N 2.84Å; G77-D79 PolarHBondContact O-N 3.17Å; G77-Q80 CarbonylContact O-C 3.59Å; G77-Q80 WeakPolarHBondContact O-CA 3.4Å; G77-Q80 WeakPolarHBondContact O-CB 3.28Å; G77-Q80 PolarHBondContact O-N 2.89Å; G77-L81 PolarHBondContact O-N 3.15Å
78	W	68.8	Low	64.3	Low	13 Å²	13	75.5 Å²	75.5	5%	0.049	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-47.8	-43.9	173.4	-177.9	-89.3	0	0	0	113.5	T29 V32 F71 R72 F75 Q80 L81	T29-W78 HydrophobicContact CG2-CH2 3.64Å; T29-W78 HydrophobicContact CG2-CZ2 3.41Å; T29-W78 VanDerWaalsContact CG2-CZ2 3.41Å; V32-W78 HydrophobicContact CB-CH2 3.6Å; V32-W78 HydrophobicContact CB-CZ2 4.01Å; V32-W78 HydrophobicContact CB-CZ3 4.16Å; V32-W78 HydrophobicContact CG1-CE3 4.16Å; V32-W78 HydrophobicContact CG1-CH2 3.28Å; V32-W78 HydrophobicContact CG1-CZ2 4.09Å; V32-W78 HydrophobicContact CG1-CZ3 3.33Å; V32-W78 HydrophobicContact CG2-CH2 4.14Å; V32-W78 HydrophobicContact CG2-CZ2 4.12Å; F71-W78 HydrophobicContact CB-CZ3 4.4Å; R72-W78 HydrophobicContact CB-CG 4.41Å; R72-W78 HydrophobicContact CG-CD2 3.88Å; R72-W78 HydrophobicContact CG-CG 3.85Å; R72-W78 HydrophobicContact CG-CZ2 4.33Å; F75-W78 HydrophobicContact CB-CB 4.28Å; F75-W78 HydrophobicContact CB-CE3 3.85Å; F75-W78 AromaticContact CD2-CE3 3.64Å; F75-W78 HydrophobicContact CD2-CE3 3.64Å; F75-W78 AromaticContact CD2-CZ3 3.61Å; F75-W78 HydrophobicContact CD2-CZ3 3.61Å; F75-W78 HydrophobicContact CE2-CZ3 4.17Å; F75-W78 HydrophobicContact CG-CE3 4.08Å; F75-W78 HydrophobicContact CG-CZ3 4.43Å; F75-W78 WeakPolarHBondContact O-CB 3.3Å; F75-W78 PolarHBondContact O-N 3.1Å; F75-W78 VanDerWaalsContact O-N 3.12Å; W78-Q80 VanDerWaalsContact C-N 3.26Å; W78-Q80 PolarHBondContact O-N 3.34Å; W78-L81 HydrophobicContact CE3-CD2 4.45Å; W78-L81 VanDerWaalsContact O-CB 3.25Å; W78-L81 WeakPolarHBondContact O-CB 2.89Å; W78-L81 PolarHBondContact O-N 3.01Å
79	D	68.4	Low	65.1	Low	140 Å²	140	74 Å²	74	75%	0.749	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-64	-32.3	178.1	-70.3	-69.9	0	0	0	113.1	K28 G77 L81	K28-D79 PolarHBondContact NZ-O 2.95Å; G77-D79 PolarHBondContact O-N 3.17Å; D79-L81 VanDerWaalsContact C-N 3.35Å
80	Q	66.4	Low	65.9	Low	167 Å²	167	75.6 Å²	75.6	78%	0.78	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-87.2	-4.7	179.8	-61.5	178.9	63.6	0	0	113.2	G77 W78 D82	G77-Q80 CarbonylContact O-C 3.59Å; G77-Q80 WeakPolarHBondContact O-CA 3.4Å; G77-Q80 WeakPolarHBondContact O-CB 3.28Å; G77-Q80 PolarHBondContact O-N 2.89Å; W78-Q80 VanDerWaalsContact C-N 3.26Å; W78-Q80 PolarHBondContact O-N 3.34Å; Q80-D82 PolarHBondContact O-N 2.73Å; Q80-D82 VanDerWaalsContact O-N 3.15Å
81	L	67.4	Low	66.5	Low	12 Å²	12	79.4 Å²	79.4	6%	0.063	40%	0.402	C	S	.	.			trans	-70.9	110	-178.8	-165	65.1	0	0	0	109.7	V32 G77 W78 D79 L89 L92	V32-L81 HydrophobicContact CB-CD2 4.26Å; V32-L81 HydrophobicContact CG1-CD2 3.4Å; V32-L81 VanDerWaalsContact CG1-CD2 3.4Å; V32-L81 HydrophobicContact CG2-CD2 3.78Å; G77-L81 PolarHBondContact O-N 3.15Å; W78-L81 HydrophobicContact CE3-CD2 4.45Å; W78-L81 VanDerWaalsContact O-CB 3.25Å; W78-L81 WeakPolarHBondContact O-CB 2.89Å; W78-L81 PolarHBondContact O-N 3.01Å; D79-L81 VanDerWaalsContact C-N 3.35Å; L81-L89 HydrophobicContact CD1-CD2 3.88Å; L81-L89 HydrophobicContact CD1-CG 4.07Å; L81-L89 HydrophobicContact CD2-CD2 3.66Å; L81-L89 HydrophobicContact CG-CD2 3.92Å; L81-L89 HydrophobicContact CG-CG 4.43Å; L81-L92 HydrophobicContact CD1-CD2 3.7Å; L81-L92 HydrophobicContact CD2-CD2 3.65Å; L81-L92 HydrophobicContact CG-CD2 4.28Å
82	D	68	Low	66.8	Low	78 Å²	78	79.2 Å²	79.2	42%	0.417	40%	0.402	S	S	.	.			trans	-82.1	115	166.1	-171.8	-13.5	0	0	0	108.1	Q80 S84 D85	Q80-D82 PolarHBondContact O-N 2.73Å; Q80-D82 VanDerWaalsContact O-N 3.15Å; D82-S84 PolarHBondContact O-N 3.38Å; D82-S84 VanDerWaalsContact O-N 3.11Å; D82-S84 WeakPolarHBondContact OD1-CB 3.47Å; D82-S84 PolarHBondContact OD1-N 2.87Å; D82-S84 PolarHBondContact OD1-OG 3.21Å; D82-D85 HydrophobicContact CB-CB 4.07Å; D82-D85 WeakPolarHBondContact O-CB 3.19Å; D82-D85 PolarHBondContact O-N 3.04Å
83	V	65	Low	67	Low	42 Å²	42	73.4 Å²	73.4	26%	0.255	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.1	178.3	-69	0	0	0	0	113	L31 V32 D85	L31-V83 HydrophobicContact CB-CB 4.28Å; L31-V83 HydrophobicContact CB-CG1 3.88Å; L31-V83 HydrophobicContact CD1-CG2 4.41Å; V32-V83 HydrophobicContact CB-CG1 4.4Å; V32-V83 HydrophobicContact CG2-CG1 3.42Å; V32-V83 VanDerWaalsContact CG2-CG1 3.42Å; V83-D85 VanDerWaalsContact C-N 3.35Å
84	S	70.9	Confident	67.2	Low	96 Å²	96	72.6 Å²	72.6	67%	0.671	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-20.3	176.6	-37.4	0	0	0	0	112.2	D82 Q86	D82-S84 PolarHBondContact O-N 3.38Å; D82-S84 VanDerWaalsContact O-N 3.11Å; D82-S84 WeakPolarHBondContact OD1-CB 3.47Å; D82-S84 PolarHBondContact OD1-N 2.87Å; D82-S84 PolarHBondContact OD1-OG 3.21Å; S84-Q86 PolarHBondContact O-N 3.2Å
85	D	74.4	Confident	67.7	Low	43 Å²	43	73 Å²	73	23%	0.23	37%	0.374	C	S	.	.			trans	-93.4	85.6	-176.5	-166	-28.9	0	0	0	110	D82 V83 D87 K88 L89	D82-D85 HydrophobicContact CB-CB 4.07Å; D82-D85 WeakPolarHBondContact O-CB 3.19Å; D82-D85 PolarHBondContact O-N 3.04Å; V83-D85 VanDerWaalsContact C-N 3.35Å; D85-D87 PolarHBondContact O-N 2.9Å; D85-D87 PolarHBondContact OD1-N 2.84Å; D85-K88 HydrophobicContact CB-CB 4.1Å; D85-K88 HydrophobicContact CB-CD 4.26Å; D85-K88 HydrophobicContact CB-CG 4.32Å; D85-K88 VanDerWaalsContact CG-CG 3.49Å; D85-K88 PolarHBondContact O-N 2.93Å; D85-K88 PolarHBondContact OD1-N 2.82Å; D85-K88 WeakPolarHBondContact OD2-CD 3.5Å; D85-K88 WeakPolarHBondContact OD2-CE 3.42Å; D85-K88 VanDerWaalsContact OD2-CG 3.3Å; D85-K88 WeakPolarHBondContact OD2-CG 3.24Å; D85-K88 IonicContact OD2-NZ 2.74Å; D85-K88 PolarHBondContact OD2-NZ 3.09Å; D85-L89 WeakPolarHBondContact O-CG 3.35Å; D85-L89 PolarHBondContact O-N 3.38Å
86	Q	68.5	Low	67.6	Low	119 Å²	119	73 Å²	73	56%	0.556	38%	0.375	S	S	*	.	H	α-helix	trans	-61.2	-28.7	-179.8	-69.6	-166.5	-10.9	0	0	113.1	S84 L89 K90	S84-Q86 PolarHBondContact O-N 3.2Å; Q86-L89 PolarHBondContact O-N 2.98Å; Q86-K90 WeakPolarHBondContact O-CG 3.25Å; Q86-K90 PolarHBondContact O-N 3.35Å
87	D	72.1	Confident	67.4	Low	102 Å²	102	65.4 Å²	65.4	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-74.9	-42.3	-179.5	-66.7	-34.6	0	0	0	110.5	D85 L89 K90 D91	D85-D87 PolarHBondContact O-N 2.9Å; D85-D87 PolarHBondContact OD1-N 2.84Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 2.89Å; D87-K90 WeakPolarHBondContact O-CB 3.35Å; D87-K90 PolarHBondContact O-N 2.86Å; D87-K90 VanDerWaalsContact O-N 3.15Å; D87-K90 IonicContact OD1-NZ 3.59Å; D87-D91 PolarHBondContact O-N 2.68Å
88	K	71	Confident	67.1	Low	108 Å²	108	67.4 Å²	67.4	47%	0.47	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-37.4	169.6	-76.6	-174.2	-170.7	123.7	0	112.9	D85 D91 L92	D85-K88 HydrophobicContact CB-CB 4.1Å; D85-K88 HydrophobicContact CB-CD 4.26Å; D85-K88 HydrophobicContact CB-CG 4.32Å; D85-K88 VanDerWaalsContact CG-CG 3.49Å; D85-K88 PolarHBondContact O-N 2.93Å; D85-K88 PolarHBondContact OD1-N 2.82Å; D85-K88 WeakPolarHBondContact OD2-CD 3.5Å; D85-K88 WeakPolarHBondContact OD2-CE 3.42Å; D85-K88 VanDerWaalsContact OD2-CG 3.3Å; D85-K88 WeakPolarHBondContact OD2-CG 3.24Å; D85-K88 IonicContact OD2-NZ 2.74Å; D85-K88 PolarHBondContact OD2-NZ 3.09Å; K88-D91 PolarHBondContact O-N 3.38Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.08Å
89	L	68.6	Low	66.6	Low	1 Å²	1	72.2 Å²	72.2	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-42.1	174.5	-78	158.5	0	0	0	111.7	V32 A35 I36 V39 L81 D85 Q86 D87 L92 V93	V32-L89 HydrophobicContact CG1-CD2 4.27Å; A35-L89 HydrophobicContact CB-CD1 3.43Å; A35-L89 VanDerWaalsContact CB-CD1 3.43Å; A35-L89 HydrophobicContact CB-CD2 4.18Å; A35-L89 HydrophobicContact CB-CG 4.44Å; I36-L89 HydrophobicContact CG1-CD2 4.04Å; V39-L89 HydrophobicContact CG2-CB 4.13Å; L81-L89 HydrophobicContact CD1-CD2 3.88Å; L81-L89 HydrophobicContact CD1-CG 4.07Å; L81-L89 HydrophobicContact CD2-CD2 3.66Å; L81-L89 HydrophobicContact CG-CD2 3.92Å; L81-L89 HydrophobicContact CG-CG 4.43Å; D85-L89 WeakPolarHBondContact O-CG 3.35Å; D85-L89 PolarHBondContact O-N 3.38Å; Q86-L89 PolarHBondContact O-N 2.98Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 2.89Å; L89-L92 PolarHBondContact O-N 3.12Å; L89-V93 WeakPolarHBondContact O-CB 3.42Å; L89-V93 WeakPolarHBondContact O-CG2 3.49Å; L89-V93 PolarHBondContact O-N 2.83Å
90	K	68.1	Low	65.7	Low	68 Å²	68	68 Å²	68	30%	0.296	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-50.5	172.6	-76.4	165.2	-173.1	170.1	0	111.7	V39 Q86 D87 L92 V93 I94	V39-K90 HydrophobicContact CB-CG 4.23Å; V39-K90 HydrophobicContact CG1-CB 4.16Å; V39-K90 HydrophobicContact CG1-CG 3.41Å; V39-K90 VanDerWaalsContact CG1-CG 3.41Å; V39-K90 HydrophobicContact CG2-CG 3.83Å; Q86-K90 WeakPolarHBondContact O-CG 3.25Å; Q86-K90 PolarHBondContact O-N 3.35Å; D87-K90 WeakPolarHBondContact O-CB 3.35Å; D87-K90 PolarHBondContact O-N 2.86Å; D87-K90 VanDerWaalsContact O-N 3.15Å; D87-K90 IonicContact OD1-NZ 3.59Å; K90-L92 VanDerWaalsContact C-N 3.27Å; K90-L92 PolarHBondContact O-N 3.21Å; K90-V93 PolarHBondContact O-N 3.17Å; K90-I94 WeakPolarHBondContact O-CB 2.74Å; K90-I94 WeakPolarHBondContact O-CG1 3.09Å; K90-I94 PolarHBondContact O-N 3.25Å
91	D	70	Confident	64.8	Low	107 Å²	107	65.3 Å²	65.3	57%	0.572	34%	0.338	S	S	*	.	H	α-helix	trans	-60.2	-40.7	179.3	-76.3	-21.1	0	0	0	111.2	D87 K88 I94 F95	D87-D91 PolarHBondContact O-N 2.68Å; K88-D91 PolarHBondContact O-N 3.38Å; D91-I94 PolarHBondContact O-N 3.1Å; D91-F95 WeakPolarHBondContact O-CB 2.99Å; D91-F95 PolarHBondContact O-N 2.75Å
92	L	67.6	Low	63.5	Low	21 Å²	21	71.7 Å²	71.7	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.3	-175.5	71.2	0	0	0	111.7	F75 K76 L81 K88 L89 K90 N96	F75-L92 HydrophobicContact CB-CD1 4.19Å; F75-L92 HydrophobicContact CB-CD2 4.09Å; F75-L92 HydrophobicContact CB-CG 4.47Å; F75-L92 HydrophobicContact CD1-CD1 3.68Å; F75-L92 HydrophobicContact CD1-CD2 3.5Å; F75-L92 HydrophobicContact CD1-CG 3.36Å; F75-L92 HydrophobicContact CE1-CD2 4.06Å; F75-L92 HydrophobicContact CE1-CG 3.83Å; F75-L92 HydrophobicContact CG-CD1 4.35Å; F75-L92 HydrophobicContact CG-CD2 3.85Å; F75-L92 HydrophobicContact CG-CG 4.17Å; K76-L92 WeakPolarHBondContact O-CD1 3.48Å; L81-L92 HydrophobicContact CD1-CD2 3.7Å; L81-L92 HydrophobicContact CD2-CD2 3.65Å; L81-L92 HydrophobicContact CG-CD2 4.28Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.08Å; L89-L92 PolarHBondContact O-N 3.12Å; K90-L92 VanDerWaalsContact C-N 3.27Å; K90-L92 PolarHBondContact O-N 3.21Å; L92-N96 PolarHBondContact O-N 3.02Å; L92-N96 VanDerWaalsContact O-N 3.07Å; L92-N96 PolarHBondContact O-ND2 2.81Å
93	V	66.1	Low	62.3	Low	7 Å²	7	75.6 Å²	75.6	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-47.7	176.4	167.1	0	0	0	0	110.4	I36 V39 L40 L89 K90 N96 S97	I36-V93 HydrophobicContact CB-CG2 4.27Å; I36-V93 HydrophobicContact CG1-CG2 3.96Å; I36-V93 HydrophobicContact CG2-CG2 3.76Å; V39-V93 HydrophobicContact CG1-CB 4.45Å; V39-V93 HydrophobicContact CG1-CG2 4.34Å; L40-V93 HydrophobicContact CD2-CG1 3.45Å; L40-V93 VanDerWaalsContact CD2-CG1 3.45Å; L40-V93 HydrophobicContact CG-CG1 4.12Å; L89-V93 WeakPolarHBondContact O-CB 3.42Å; L89-V93 WeakPolarHBondContact O-CG2 3.49Å; L89-V93 PolarHBondContact O-N 2.83Å; K90-V93 PolarHBondContact O-N 3.17Å; V93-N96 PolarHBondContact O-N 2.61Å; V93-S97 VanDerWaalsContact O-CB 3.32Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 2.84Å; V93-S97 PolarHBondContact O-OG 2.85Å
94	I	66.4	Low	61	Low	83 Å²	83	81.9 Å²	81.9	43%	0.426	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-50.6	179.3	-69.1	165.4	0	0	0	109.7	K90 D91 N96 S97 T98	K90-I94 WeakPolarHBondContact O-CB 2.74Å; K90-I94 WeakPolarHBondContact O-CG1 3.09Å; K90-I94 PolarHBondContact O-N 3.25Å; D91-I94 PolarHBondContact O-N 3.1Å; I94-N96 VanDerWaalsContact C-N 3.27Å; I94-N96 PolarHBondContact O-N 3.41Å; I94-S97 CarbonylContact O-C 3.58Å; I94-S97 PolarHBondContact O-N 3.05Å; I94-S97 VanDerWaalsContact O-N 3.09Å; I94-T98 HydrophobicContact CG2-CG2 4.27Å; I94-T98 WeakPolarHBondContact O-CG2 3.46Å; I94-T98 PolarHBondContact O-N 3.42Å; I94-T98 PolarHBondContact O-OG1 2.68Å
95	F	65.9	Low	59.1	Low	97 Å²	97	82.4 Å²	82.4	43%	0.425	41%	0.41	S	S	.	.	H	α-helix	trans	-54.6	-43.4	178.8	-179.9	-91.5	0	0	0	111.6	D91 T98 H99	D91-F95 WeakPolarHBondContact O-CB 2.99Å; D91-F95 PolarHBondContact O-N 2.75Å; F95-T98 PolarHBondContact O-OG1 2.75Å; F95-H99 AromaticContact CD2-CD2 3.35Å; F95-H99 WeakPolarHBondContact CD2-CD2 3.39Å; F95-H99 AromaticContact CD2-NE2 3.76Å; F95-H99 AromaticContact CE2-CD2 3.36Å; F95-H99 WeakPolarHBondContact CE2-CD2 2.82Å; F95-H99 AromaticContact CE2-NE2 3.63Å; F95-H99 AromaticContact CG-CD2 3.85Å; F95-H99 AromaticContact CZ-CD2 3.88Å; F95-H99 WeakPolarHBondContact O-CB 3.3Å; F95-H99 PolarHBondContact O-CD2 2.92Å; F95-H99 PolarHBondContact O-N 3.22Å
96	N	59.4	Low	57.1	Low	16 Å²	16	88.6 Å²	88.6	9%	0.086	44%	0.443	C	S	.	.	H	α-helix	trans	-75.7	-34.9	178.9	-77.1	-81.1	0	0	0	112.7	W74 F75 L92 V93 I94 T98 Q100	W74-N96 PolarHBondContact O-OD1 2.98Å; F75-N96 HydrophobicContact CD1-CB 4.35Å; F75-N96 WeakPolarHBondContact CD1-ND2 3.27Å; F75-N96 HydrophobicContact CE1-CB 3.9Å; F75-N96 WeakPolarHBondContact CE1-ND2 3.15Å; L92-N96 PolarHBondContact O-N 3.02Å; L92-N96 VanDerWaalsContact O-N 3.07Å; L92-N96 PolarHBondContact O-ND2 2.81Å; V93-N96 PolarHBondContact O-N 2.61Å; I94-N96 VanDerWaalsContact C-N 3.27Å; I94-N96 PolarHBondContact O-N 3.41Å; N96-T98 VanDerWaalsContact C-N 3.31Å; N96-T98 PolarHBondContact O-N 2.82Å; N96-Q100 HydrophobicContact CB-CG 4.47Å; N96-Q100 WeakPolarHBondContact O-CB 3.35Å; N96-Q100 VanDerWaalsContact O-CG 3.3Å; N96-Q100 WeakPolarHBondContact O-CG 3.42Å; N96-Q100 PolarHBondContact O-N 3.05Å; N96-Q100 PolarHBondContact OD1-NE2 3.31Å
97	S	58.1	Low	55.5	Low	20 Å²	20	94 Å²	94	14%	0.14	47%	0.473	C	S	.	.	H	α-helix	trans	-65.5	-35.6	175	-52.2	0	0	0	0	111.5	N48 V93 I94 I101	N48-S97 PolarHBondContact OD1-OG 3.18Å; V93-S97 VanDerWaalsContact O-CB 3.32Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 2.84Å; V93-S97 PolarHBondContact O-OG 2.85Å; I94-S97 CarbonylContact O-C 3.58Å; I94-S97 PolarHBondContact O-N 3.05Å; I94-S97 VanDerWaalsContact O-N 3.09Å; S97-I101 WeakPolarHBondContact O-CD1 3.08Å; S97-I101 WeakPolarHBondContact O-CG1 3.46Å
98	T	58.3	Low	54.7	Low	76 Å²	76	93.6 Å²	93.6	47%	0.466	47%	0.469	S	S	.	.	H	α-helix	trans	-85.6	-37.8	179.7	55.1	0	0	0	0	112.9	I94 F95 N96	I94-T98 HydrophobicContact CG2-CG2 4.27Å; I94-T98 WeakPolarHBondContact O-CG2 3.46Å; I94-T98 PolarHBondContact O-N 3.42Å; I94-T98 PolarHBondContact O-OG1 2.68Å; F95-T98 PolarHBondContact O-OG1 2.75Å; N96-T98 VanDerWaalsContact C-N 3.31Å; N96-T98 PolarHBondContact O-N 2.82Å
99	H	57.5	Low	53.8	Low	113 Å²	113	92.8 Å²	92.8	52%	0.523	47%	0.469	S	S	.	.	H	α-helix	trans	-93.3	-15.1	-174.2	-70.1	-74.7	0	0	0	115.2	F95	F95-H99 AromaticContact CD2-CD2 3.35Å; F95-H99 WeakPolarHBondContact CD2-CD2 3.39Å; F95-H99 AromaticContact CD2-NE2 3.76Å; F95-H99 AromaticContact CE2-CD2 3.36Å; F95-H99 WeakPolarHBondContact CE2-CD2 2.82Å; F95-H99 AromaticContact CE2-NE2 3.63Å; F95-H99 AromaticContact CG-CD2 3.85Å; F95-H99 AromaticContact CZ-CD2 3.88Å; F95-H99 WeakPolarHBondContact O-CB 3.3Å; F95-H99 PolarHBondContact O-CD2 2.92Å; F95-H99 PolarHBondContact O-N 3.22Å
100	Q	51	Low	53	Low	52 Å²	52	97.9 Å²	97.9	24%	0.243	50%	0.495	C	S	.	.	S	Bend	trans	-90	-20.9	176.1	-63.1	-167.5	9.9	0	0	113.6	W74 N96 D102 Q103 Y104	W74-Q100 PolarHBondContact O-NE2 3.1Å; N96-Q100 HydrophobicContact CB-CG 4.47Å; N96-Q100 WeakPolarHBondContact O-CB 3.35Å; N96-Q100 VanDerWaalsContact O-CG 3.3Å; N96-Q100 WeakPolarHBondContact O-CG 3.42Å; N96-Q100 PolarHBondContact O-N 3.05Å; N96-Q100 PolarHBondContact OD1-NE2 3.31Å; Q100-D102 VanDerWaalsContact C-N 3.28Å; Q100-D102 PolarHBondContact O-N 3.4Å; Q100-Q103 PolarHBondContact O-N 3.14Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.16Å
101	I	45.8	Very low	52.1	Low	110 Å²	110	99.6 Å²	99.6	56%	0.564	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-68.4	-29.5	179.8	-63.5	176.9	0	0	0	111.3	S97 Q103	S97-I101 WeakPolarHBondContact O-CD1 3.08Å; S97-I101 WeakPolarHBondContact O-CG1 3.46Å; I101-Q103 VanDerWaalsContact C-N 3.26Å; I101-Q103 PolarHBondContact O-N 3.22Å
102	D	40.8	Very low	51	Low	147 Å²	147	99.2 Å²	99.2	79%	0.786	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-75.9	-4.4	175.9	-85.8	-54.7	0	0	0	114.7	Q100	Q100-D102 VanDerWaalsContact C-N 3.28Å; Q100-D102 PolarHBondContact O-N 3.4Å
103	Q	42.5	Very low	49.9	Very low	159 Å²	159	104.4 Å²	104.4	74%	0.743	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-108.4	5.4	179.3	-72	-159.8	-28.7	0	0	114.8	Q100 I101 P105	Q100-Q103 PolarHBondContact O-N 3.14Å; I101-Q103 VanDerWaalsContact C-N 3.26Å; I101-Q103 PolarHBondContact O-N 3.22Å; Q103-P105 WeakPolarHBondContact O-CD 3.23Å
104	Y	37.7	Very low	48.7	Very low	174 Å²	174	111.4 Å²	111.4	68%	0.682	56%	0.564	S	S	*	*			trans	-85.9	109.4	167.9	-79.6	-86.3	0	0	0	109.4	Q100 N106	Q100-Y104 WeakPolarHBondContact O-CD2 3.16Å; Y104-N106 PolarHBondContact O-N 3.3Å
105	P	31.4	Very low	47.4	Very low	107 Å²	107	113.5 Å²	113.5	70%	0.695	57%	0.574	S	S	*	*			trans	-58.2	129	161.1	25.2	-30.6	0	0	0	107.4	Q103 I107	Q103-P105 WeakPolarHBondContact O-CD 3.23Å; P105-I107 PolarHBondContact O-N 3.33Å
106	N	33.4	Very low	45.8	Very low	173 Å²	173	114.9 Å²	114.9	93%	0.925	59%	0.587	S	S	*	*			trans	-41.5	115.7	163.8	-105.9	-19.7	0	0	0	108.2	Y104	Y104-N106 PolarHBondContact O-N 3.3Å
107	I	34.5	Very low	44.6	Very low	232 Å²	232	123.9 Å²	123.9	100%	1.19	63%	0.632	S	S	*	*			trans	-80.5	0	165.5	-25.8	174.4	0	0	0	107.7	P105	P105-I107 PolarHBondContact O-N 3.33Å

Retrieved 107 of 107 residues in 87.4 ms (Link to these results)

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