G4VMR4_SCHMA Loading...

Large ribosomal subunit protein mL53

AlphaFold DB , UniProt , Accession G4VMR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

						>G4VMR4_SCHMA|G4VMR4
MSFQKSWRLPRSIKYFRSPLAVDDSRISKAILKQLNFKPVIKMSFRFNPLLQKTESIRQFCSIISDPKWRTSNTNLIIKINVLSDNSPPEIEVSYDNGRILILKTENLSLRETIEIIITHTGTIMAE
					

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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	40.9	Very low	49.2	Very low	233 Å²	233	167.7 Å²	167.7	100%	1.148	78%	0.783	S	S	*	*				0	113.4	0	-77.8	158.6	169.4	0	0	108.2	F3	M1-F3 PolarHBondContact O-N 3.47Å
2	S	46.2	Very low	49.5	Very low	114 Å²	114	162.4 Å²	162.4	80%	0.797	78%	0.779	S	S	*	*			trans	-76.5	117.8	-179	54.6	0	0	0	0	110.4	Q4	S2-Q4 PolarHBondContact O-N 3.22Å
3	F	49.2	Very low	49.5	Very low	206 Å²	206	155.2 Å²	155.2	90%	0.904	75%	0.746	S	S	*	*			trans	-68.5	113	172.8	-74.9	-88.8	0	0	0	109.9	M1	M1-F3 PolarHBondContact O-N 3.47Å
4	Q	53.9	Low	49.7	Very low	172 Å²	172	152.8 Å²	152.8	80%	0.804	73%	0.73	S	S	*	*			trans	-81.2	129.8	169.7	-91.4	-169.1	-40.1	0	0	110.3	S2	S2-Q4 PolarHBondContact O-N 3.22Å
5	K	49.7	Very low	50.1	Low	178 Å²	178	156.5 Å²	156.5	77%	0.774	74%	0.736	S	S	*	*			trans	-68	134.4	176.3	-66.6	179.4	175.5	177.4	0	110.4	W7	K5-W7 PolarHBondContact O-N 3.4Å
6	S	56.1	Low	50.5	Low	84 Å²	84	155.8 Å²	155.8	59%	0.587	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-70	2.8	-167.7	58.8	0	0	0	0	117.1	R8 L9	S6-R8 PolarHBondContact O-N 3.04Å; S6-L9 PolarHBondContact O-N 2.98Å
7	W	46.4	Very low	50.7	Low	233 Å²	233	154.9 Å²	154.9	88%	0.883	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-67.1	-3.5	-174.6	-60.2	97	0	0	0	115.5	K5	K5-W7 PolarHBondContact O-N 3.4Å
8	R	52.7	Low	50.8	Low	229 Å²	229	150.3 Å²	150.3	86%	0.864	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-95.5	-1.4	-179.3	-64.4	-164	-179.2	-151.3	1.8	114.9	S6	S6-R8 PolarHBondContact O-N 3.04Å
9	L	50	Low	51	Low	85 Å²	85	149.4 Å²	149.4	45%	0.445	71%	0.714	S	S	.	*	S	Bend	trans	-79.9	137.5	176.3	-67.2	171	0	0	0	111.1	S6 R11 F16	S6-L9 PolarHBondContact O-N 2.98Å; L9-R11 PolarHBondContact O-N 2.89Å; L9-F16 HydrophobicContact CD1-CD1 3.91Å; L9-F16 HydrophobicContact CD1-CD2 4.17Å; L9-F16 HydrophobicContact CD1-CE1 3.81Å; L9-F16 HydrophobicContact CD1-CE2 4.07Å; L9-F16 HydrophobicContact CD1-CG 4.09Å; L9-F16 HydrophobicContact CD1-CZ 3.89Å
10	P	44.3	Very low	50.9	Low	87 Å²	87	149.9 Å²	149.9	57%	0.565	72%	0.72	S	S	*	*			trans	-60.6	137	176.1	23.7	-31.7	0	0	0	110.8	S12 I13	P10-S12 PolarHBondContact O-N 3.48Å; P10-I13 HydrophobicContact CG-CD1 4.49Å
11	R	51.7	Low	51.1	Low	224 Å²	224	145.4 Å²	145.4	85%	0.845	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	1	-174.2	-70.2	-178.1	173.7	-179.7	-1.9	115.5	L9 R17	L9-R11 PolarHBondContact O-N 2.89Å; R11-R17 PolarHBondContact O-NH2 3.21Å
12	S	52.3	Low	51.9	Low	104 Å²	104	136.6 Å²	136.6	73%	0.727	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-7.6	-172.5	76.6	0	0	0	0	115	P10 K14	P10-S12 PolarHBondContact O-N 3.48Å; S12-K14 PolarHBondContact O-N 2.93Å
13	I	50	Low	52.7	Low	69 Å²	69	135.3 Å²	135.3	35%	0.354	65%	0.651	S	S	.	*			trans	-83.9	101.3	178.1	-55	167.9	0	0	0	108.3	P10 Y15 F16	P10-I13 HydrophobicContact CG-CD1 4.49Å; I13-Y15 HydrophobicContact CG2-CD2 3.84Å; I13-Y15 HydrophobicContact CG2-CE2 4.49Å; I13-Y15 PolarHBondContact O-N 3.24Å; I13-F16 HydrophobicContact CG2-CD2 4.3Å; I13-F16 PolarHBondContact O-N 3.31Å; I13-F16 VanDerWaalsContact O-N 3.08Å
14	K	51.8	Low	53.5	Low	121 Å²	121	129 Å²	129	53%	0.526	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-46	-35.4	-175.5	-105.5	-173.3	173.5	-168	0	113.5	S12 F16 E112	S12-K14 PolarHBondContact O-N 2.93Å; K14-F16 PolarHBondContact O-N 3.45Å; K14-E112 IonicContact NZ-OE1 3.66Å; K14-E112 PolarHBondContact NZ-OE1 2.79Å
15	Y	56.4	Low	54	Low	209 Å²	209	124.5 Å²	124.5	82%	0.82	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-82.6	-7.1	-172.6	-32.9	-70.3	0	0	0	114.9	I13	I13-Y15 HydrophobicContact CG2-CD2 3.84Å; I13-Y15 HydrophobicContact CG2-CE2 4.49Å; I13-Y15 PolarHBondContact O-N 3.24Å
16	F	57	Low	54.9	Low	145 Å²	145	124.8 Å²	124.8	64%	0.636	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-100	3	-179.9	-102.5	-76.7	0	0	0	114.3	L9 I13 K14	L9-F16 HydrophobicContact CD1-CD1 3.91Å; L9-F16 HydrophobicContact CD1-CD2 4.17Å; L9-F16 HydrophobicContact CD1-CE1 3.81Å; L9-F16 HydrophobicContact CD1-CE2 4.07Å; L9-F16 HydrophobicContact CD1-CG 4.09Å; L9-F16 HydrophobicContact CD1-CZ 3.89Å; I13-F16 HydrophobicContact CG2-CD2 4.3Å; I13-F16 PolarHBondContact O-N 3.31Å; I13-F16 VanDerWaalsContact O-N 3.08Å; K14-F16 PolarHBondContact O-N 3.45Å
17	R	52.7	Low	56.2	Low	141 Å²	141	122.4 Å²	122.4	53%	0.532	59%	0.591	S	S	.	*	S	Bend	trans	-80.7	138.5	171.2	-60.7	-159.9	178.7	-153	3.2	108.7	R11 A21	R11-R17 PolarHBondContact O-NH2 3.21Å; R17-A21 HydrophobicContact CB-CB 4.27Å
18	S	53.4	Low	58	Low	71 Å²	71	114 Å²	114	50%	0.497	57%	0.567	S	S	.	*			trans	-56.4	139.9	174.2	53.6	0	0	0	0	108.8	L20 A21	S18-L20 PolarHBondContact O-N 3.07Å; S18-A21 WeakPolarHBondContact O-CB 3.36Å; S18-A21 PolarHBondContact O-N 3.5Å
19	P	53.5	Low	59.7	Low	133 Å²	133	110.7 Å²	110.7	86%	0.864	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-14.9	179.3	16.8	-27.8	0	0	0	113.5
20	L	50.3	Low	61.5	Low	160 Å²	160	109.7 Å²	109.7	84%	0.838	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-10.4	171.3	-69	155	0	0	0	114.3	S18	S18-L20 PolarHBondContact O-N 3.07Å
21	A	55.1	Low	63.6	Low	55 Å²	55	106.2 Å²	106.2	46%	0.455	54%	0.54	S	S	.	.	S	Bend	trans	-83	-18.5	-164.6	0	0	0	0	0	114.7	R17 S18	R17-A21 HydrophobicContact CB-CB 4.27Å; S18-A21 WeakPolarHBondContact O-CB 3.36Å; S18-A21 PolarHBondContact O-N 3.5Å
22	V	57.3	Low	65.3	Low	48 Å²	48	96.2 Å²	96.2	29%	0.291	50%	0.503	S	S	.	.			trans	-147.4	107	175.8	-173.2	0	0	0	0	108.1	D24	V22-D24 PolarHBondContact O-N 3.2Å
23	D	62.2	Low	67.1	Low	88 Å²	88	99 Å²	99	47%	0.471	50%	0.502	S	S	.	.			trans	-63.7	99.8	164.2	-82.5	-25.4	0	0	0	107.8	S25 R26	D23-S25 PolarHBondContact O-N 3.27Å; D23-S25 VanDerWaalsContact O-N 3.12Å; D23-R26 HydrophobicContact CB-CB 4.09Å; D23-R26 HydrophobicContact CB-CG 4.27Å; D23-R26 PolarHBondContact O-N 2.99Å; D23-R26 IonicContact OD2-NH1 2.92Å
24	D	67.2	Low	69.1	Low	74 Å²	74	101.4 Å²	101.4	40%	0.396	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14	177.3	-75.1	-28.2	0	0	0	112.8	V22 R26	V22-D24 PolarHBondContact O-N 3.2Å; D24-R26 VanDerWaalsContact C-N 3.32Å
25	S	63.6	Low	70.9	Confident	76 Å²	76	96.3 Å²	96.3	53%	0.531	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.5	170.5	59.6	0	0	0	0	113.3	D23	D23-S25 PolarHBondContact O-N 3.27Å; D23-S25 VanDerWaalsContact O-N 3.12Å
26	R	69.2	Low	72.6	Confident	185 Å²	185	88.3 Å²	88.3	70%	0.698	46%	0.462	S	S	*	.			trans	-116.3	114.2	-175	-71.2	179.9	169.1	175.9	-2.4	111.4	D23 D24	D23-R26 HydrophobicContact CB-CB 4.09Å; D23-R26 HydrophobicContact CB-CG 4.27Å; D23-R26 PolarHBondContact O-N 2.99Å; D23-R26 IonicContact OD2-NH1 2.92Å; D24-R26 VanDerWaalsContact C-N 3.32Å
27	I	82.6	Confident	74.2	Confident	33 Å²	33	81.4 Å²	81.4	17%	0.169	43%	0.431	C	S	.	.			trans	-91.3	127.5	173.5	-52.4	146.6	0	0	0	109.8	I31 L32 I63 L110 I114	I27-I31 HydrophobicContact CG2-CB 4.05Å; I27-I31 HydrophobicContact CG2-CG2 4.23Å; I27-L32 HydrophobicContact CB-CG 4.46Å; I27-L32 HydrophobicContact CD1-CD2 4.34Å; I27-L32 HydrophobicContact CG2-CD1 4.29Å; I27-L32 HydrophobicContact CG2-CD2 3.87Å; I27-L32 HydrophobicContact CG2-CG 3.65Å; I27-I63 HydrophobicContact CD1-CD1 3.22Å; I27-L110 HydrophobicContact CD1-CD1 3.64Å; I27-L110 HydrophobicContact CD1-CD2 3.14Å; I27-L110 HydrophobicContact CD1-CG 3.46Å; I27-L110 VanDerWaalsContact CD1-CG 3.46Å; I27-L110 HydrophobicContact CG1-CD2 3.18Å; I27-L110 HydrophobicContact CG1-CG 4.02Å; I27-I114 HydrophobicContact CD1-CD1 3.23Å; I27-I114 HydrophobicContact CG1-CD1 3.87Å; I27-I114 HydrophobicContact CG2-CD1 4.29Å
28	S	85.9	Confident	76.1	Confident	56 Å²	56	81.5 Å²	81.5	39%	0.392	44%	0.436	S	S	.	.			trans	-70.1	142.2	170.6	74	0	0	0	0	111.1	A30 I31 L32	S28-A30 PolarHBondContact O-N 3.21Å; S28-I31 PolarHBondContact O-N 3.04Å; S28-I31 WeakPolarHBondContact OG-CD1 3.48Å; S28-I31 WeakPolarHBondContact OG-CG1 3.33Å; S28-I31 PolarHBondContact OG-N 3.21Å; S28-L32 PolarHBondContact O-N 3.48Å
29	K	86.5	Confident	78	Confident	160 Å²	160	78.5 Å²	78.5	70%	0.696	41%	0.414	S	S	*	.	H	α-helix	trans	-54.8	-27.2	174.1	-67.7	178.4	-178.6	174.2	0	112.8	L32 K33 W69	K29-L32 PolarHBondContact O-N 3.26Å; K29-K33 WeakPolarHBondContact O-CG 3.39Å; K29-K33 PolarHBondContact O-N 3.3Å; K29-K33 VanDerWaalsContact O-N 3.08Å; K29-W69 HydrophobicContact CB-CH2 4.46Å
30	A	87.8	Confident	80	Confident	64 Å²	64	72.2 Å²	72.2	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-41.2	177.7	0	0	0	0	0	112.4	S28 K33	S28-A30 PolarHBondContact O-N 3.21Å; A30-K33 PolarHBondContact O-N 3.48Å
31	I	88.7	Confident	82.1	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.072	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-43.6	177.5	-63.9	165	0	0	0	110	I27 S28 K33 Q34 R111 I114 I118	I27-I31 HydrophobicContact CG2-CB 4.05Å; I27-I31 HydrophobicContact CG2-CG2 4.23Å; S28-I31 PolarHBondContact O-N 3.04Å; S28-I31 WeakPolarHBondContact OG-CD1 3.48Å; S28-I31 WeakPolarHBondContact OG-CG1 3.33Å; S28-I31 PolarHBondContact OG-N 3.21Å; I31-K33 PolarHBondContact O-N 3.48Å; I31-Q34 WeakPolarHBondContact O-CB 3.36Å; I31-Q34 PolarHBondContact O-N 3.04Å; I31-R111 VanDerWaalsContact CD1-CZ 3.49Å; I31-I114 HydrophobicContact CG2-CG2 3.79Å; I31-I118 HydrophobicContact CG2-CD1 3.97Å
32	L	89	Confident	84	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-33	178.3	-67.6	176.7	0	0	0	113	I27 S28 K29 Q34 L35 I63 W69 I114	I27-L32 HydrophobicContact CB-CG 4.46Å; I27-L32 HydrophobicContact CD1-CD2 4.34Å; I27-L32 HydrophobicContact CG2-CD1 4.29Å; I27-L32 HydrophobicContact CG2-CD2 3.87Å; I27-L32 HydrophobicContact CG2-CG 3.65Å; S28-L32 PolarHBondContact O-N 3.48Å; K29-L32 PolarHBondContact O-N 3.26Å; L32-Q34 PolarHBondContact O-N 3.08Å; L32-L35 HydrophobicContact CD2-CD1 3.84Å; L32-L35 WeakPolarHBondContact O-CB 3.44Å; L32-L35 PolarHBondContact O-N 2.78Å; L32-I63 HydrophobicContact CD1-CG2 4.11Å; L32-I63 HydrophobicContact CD2-CG2 3.76Å; L32-W69 HydrophobicContact CB-CD2 4.12Å; L32-W69 HydrophobicContact CB-CE3 3.72Å; L32-W69 HydrophobicContact CB-CH2 3.59Å; L32-W69 HydrophobicContact CB-CZ2 4Å; L32-W69 HydrophobicContact CB-CZ3 3.44Å; L32-W69 VanDerWaalsContact CB-CZ3 3.44Å; L32-W69 HydrophobicContact CD1-CD2 4.47Å; L32-W69 HydrophobicContact CD1-CH2 4.05Å; L32-W69 HydrophobicContact CD1-CZ2 3.65Å; L32-W69 HydrophobicContact CG-CH2 4.48Å; L32-W69 HydrophobicContact CG-CZ2 4.48Å; L32-I114 HydrophobicContact CD2-CD1 3.86Å
33	K	89.9	Confident	85.8	Confident	162 Å²	162	67.1 Å²	67.1	70%	0.704	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.9	175	-77.4	-178.3	178.7	-171	0	113.9	K29 A30 I31 L35 W69	K29-K33 WeakPolarHBondContact O-CG 3.39Å; K29-K33 PolarHBondContact O-N 3.3Å; K29-K33 VanDerWaalsContact O-N 3.08Å; A30-K33 PolarHBondContact O-N 3.48Å; I31-K33 PolarHBondContact O-N 3.48Å; K33-L35 VanDerWaalsContact C-N 3.31Å; K33-W69 HydrophobicContact CG-CZ3 3.93Å
34	Q	90.7	Very high	87.4	Confident	121 Å²	121	63 Å²	63	57%	0.565	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12	177	-64	171.9	-2.6	0	0	112.3	I31 L32 N36 I118	I31-Q34 WeakPolarHBondContact O-CB 3.36Å; I31-Q34 PolarHBondContact O-N 3.04Å; L32-Q34 PolarHBondContact O-N 3.08Å; Q34-N36 PolarHBondContact O-N 2.91Å; Q34-I118 HydrophobicContact CB-CD1 4.01Å; Q34-I118 HydrophobicContact CB-CG2 4.34Å
35	L	90.6	Very high	88.8	Confident	14 Å²	14	59.6 Å²	59.6	7%	0.073	29%	0.294	C	S	.	.			trans	-66.6	119.6	175.4	-75.9	164.4	0	0	0	110.3	L32 K33 F37 I114 I117 I118	L32-L35 HydrophobicContact CD2-CD1 3.84Å; L32-L35 WeakPolarHBondContact O-CB 3.44Å; L32-L35 PolarHBondContact O-N 2.78Å; K33-L35 VanDerWaalsContact C-N 3.31Å; L35-F37 HydrophobicContact CB-CE2 4.25Å; L35-F37 HydrophobicContact CB-CZ 4.05Å; L35-F37 HydrophobicContact CD1-CZ 4.27Å; L35-F37 HydrophobicContact CD2-CE1 4.29Å; L35-F37 HydrophobicContact CD2-CZ 4.17Å; L35-F37 HydrophobicContact CG-CZ 4.41Å; L35-I114 HydrophobicContact CD1-CG2 4.14Å; L35-I114 HydrophobicContact CD2-CG2 4.17Å; L35-I114 HydrophobicContact CG-CG2 4.2Å; L35-I117 HydrophobicContact CD2-CG2 4.06Å; L35-I118 HydrophobicContact CD2-CD1 4.27Å; L35-I118 HydrophobicContact CD2-CG1 3.65Å; L35-I118 HydrophobicContact CG-CD1 4.23Å; L35-I118 HydrophobicContact CG-CG1 4.04Å
36	N	91.3	Very high	90.4	Very high	40 Å²	40	60.5 Å²	60.5	21%	0.214	29%	0.286	C	S	.	.			trans	-120.7	118.8	175.3	-173.1	9.2	0	0	0	109.9	Q34 K38 M125	Q34-N36 PolarHBondContact O-N 2.91Å; N36-K38 WeakPolarHBondContact OD1-CB 3.34Å; N36-K38 WeakPolarHBondContact OD1-CG 3.42Å; N36-K38 PolarHBondContact OD1-N 3.35Å; N36-M125 PolarHBondContact ND2-SD 3.42Å
37	F	91.7	Very high	91.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.			trans	-101.6	7.8	-177.5	-61.3	-57.1	0	0	0	113.7	L35 V40 M43 W69 S72 N73 L76	L35-F37 HydrophobicContact CB-CE2 4.25Å; L35-F37 HydrophobicContact CB-CZ 4.05Å; L35-F37 HydrophobicContact CD1-CZ 4.27Å; L35-F37 HydrophobicContact CD2-CE1 4.29Å; L35-F37 HydrophobicContact CD2-CZ 4.17Å; L35-F37 HydrophobicContact CG-CZ 4.41Å; F37-V40 HydrophobicContact CD1-CG2 4.37Å; F37-V40 PolarHBondContact O-N 3.46Å; F37-M43 HydrophobicContact CD1-CE 3.71Å; F37-M43 HydrophobicContact CE1-CE 3.45Å; F37-M43 VanDerWaalsContact CE1-CE 3.45Å; F37-M43 HydrophobicContact CE1-SD 4.23Å; F37-M43 HydrophobicContact CG-CE 4.47Å; F37-M43 HydrophobicContact CZ-CE 4.02Å; F37-W69 WeakPolarHBondContact CD2-O 3.19Å; F37-W69 VanDerWaalsContact CE2-O 3.29Å; F37-W69 WeakPolarHBondContact CE2-O 3.43Å; F37-S72 WeakPolarHBondContact CB-OG 3.39Å; F37-S72 WeakPolarHBondContact CD2-OG 3.19Å; F37-S72 PolarHBondContact N-OG 2.86Å; F37-N73 HydrophobicContact CB-CB 3.94Å; F37-N73 VanDerWaalsContact O-CB 3.28Å; F37-N73 WeakPolarHBondContact O-CB 3.32Å; F37-N73 PolarHBondContact O-ND2 3.07Å; F37-L76 HydrophobicContact CB-CD1 4.09Å; F37-L76 HydrophobicContact CD1-CD1 4.41Å; F37-L76 HydrophobicContact CG-CD1 4.39Å
38	K	92.1	Very high	92.2	Very high	143 Å²	143	51 Å²	51	62%	0.622	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-49.4	177.4	-79.2	-178.2	178.3	-174.8	0	114.3	N36 V40 S72	N36-K38 WeakPolarHBondContact OD1-CB 3.34Å; N36-K38 WeakPolarHBondContact OD1-CG 3.42Å; N36-K38 PolarHBondContact OD1-N 3.35Å; K38-V40 PolarHBondContact O-N 3.08Å; K38-S72 WeakPolarHBondContact CG-O 3.49Å
39	P	93.6	Very high	92.5	Very high	8 Å²	8	51 Å²	51	5%	0.052	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.2	-179	34.2	-37.4	0	0	0	113.3	Y95 D96 I124 M125	P39-Y95 HydrophobicContact CB-CD1 4.28Å; P39-Y95 HydrophobicContact CG-CD1 4.31Å; P39-Y95 CarbonylContact O-C 3.54Å; P39-Y95 VanDerWaalsContact O-CA 3.23Å; P39-Y95 WeakPolarHBondContact O-CA 3.36Å; P39-D96 PolarHBondContact O-N 2.67Å; P39-I124 HydrophobicContact CB-CG2 4.3Å; P39-M125 HydrophobicContact CB-CG 4.49Å; P39-M125 HydrophobicContact CG-CG 3.98Å; P39-M125 HydrophobicContact CG-SD 4.43Å
40	V	94.5	Very high	92.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.4	-173.7	-174.3	0	0	0	0	109.5	F37 K38 M43 N73 L76 V93 Y95 T121	F37-V40 HydrophobicContact CD1-CG2 4.37Å; F37-V40 PolarHBondContact O-N 3.46Å; K38-V40 PolarHBondContact O-N 3.08Å; V40-M43 HydrophobicContact CG1-CG 3.87Å; V40-N73 PolarHBondContact O-ND2 2.89Å; V40-L76 HydrophobicContact CB-CD1 3.66Å; V40-L76 HydrophobicContact CG1-CD1 3.39Å; V40-V93 HydrophobicContact CB-CG1 4.46Å; V40-V93 HydrophobicContact CG1-CG1 3.54Å; V40-V93 HydrophobicContact CG2-CG1 4.05Å; V40-Y95 HydrophobicContact CG2-CD1 3.89Å; V40-Y95 HydrophobicContact CG2-CE1 3.66Å; V40-T121 HydrophobicContact CG2-CG2 4.21Å
41	I	94.2	Very high	92.8	Very high	87 Å²	87	50.1 Å²	50.1	45%	0.446	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-47.7	174.9	-64.8	178.6	0	0	0	110.2	I77 S94 D96	I41-I77 PolarHBondContact O-N 3.01Å; I41-S94 PolarHBondContact N-O 3.47Å; I41-D96 HydrophobicContact CD1-CB 4.26Å; I41-D96 HydrophobicContact CG1-CB 4.29Å
42	K	95.3	Very high	92.8	Very high	70 Å²	70	57.7 Å²	57.7	30%	0.304	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.1	-169	-179.3	-177.4	169	-164.6	0	111.6	I77 S94	K42-I77 CarbonylContact C-O 3.58Å; K42-I77 VanDerWaalsContact CA-O 3.27Å; K42-I77 WeakPolarHBondContact CA-O 3.3Å; K42-I77 HydrophobicContact CB-CB 4.33Å; K42-I77 HydrophobicContact CG-CB 4.26Å; K42-I77 HydrophobicContact CG-CG2 4.28Å; K42-S94 PolarHBondContact N-O 2.77Å; K42-S94 PolarHBondContact O-N 3.06Å
43	M	95.5	Very high	92.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.9	166.5	-72.8	-166	-81.7	0	0	110.3	F37 V40 F45 I64 L76 I77 I78 K79 E92 V93	F37-M43 HydrophobicContact CD1-CE 3.71Å; F37-M43 HydrophobicContact CE1-CE 3.45Å; F37-M43 VanDerWaalsContact CE1-CE 3.45Å; F37-M43 HydrophobicContact CE1-SD 4.23Å; F37-M43 HydrophobicContact CG-CE 4.47Å; F37-M43 HydrophobicContact CZ-CE 4.02Å; V40-M43 HydrophobicContact CG1-CG 3.87Å; M43-F45 HydrophobicContact CB-CE2 3.84Å; M43-F45 HydrophobicContact CB-CZ 4.06Å; M43-F45 HydrophobicContact SD-CZ 4.25Å; M43-I64 HydrophobicContact CE-CD1 3.96Å; M43-I64 HydrophobicContact SD-CD1 4.31Å; M43-L76 HydrophobicContact CE-CD1 3.77Å; M43-L76 HydrophobicContact CE-CD2 3.56Å; M43-L76 HydrophobicContact CE-CG 4.26Å; M43-L76 HydrophobicContact CG-CD1 4.42Å; M43-I77 PolarHBondContact N-O 3.22Å; M43-I78 WeakPolarHBondContact O-CA 3.47Å; M43-K79 PolarHBondContact O-N 2.92Å; M43-E92 CarbonylContact C-O 3.52Å; M43-E92 WeakPolarHBondContact CA-O 3.42Å; M43-V93 HydrophobicContact CG-CB 4.37Å; M43-V93 HydrophobicContact CG-CG1 4.02Å; M43-V93 HydrophobicContact CG-CG2 4.04Å; M43-V93 HydrophobicContact SD-CG2 4.19Å
44	S	96.3	Very high	92.8	Very high	2 Å²	2	55 Å²	55	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.2	172.5	9.8	0	0	0	0	111.1	K79 I91 E92	S44-K79 CarbonylContact C-O 3.54Å; S44-K79 VanDerWaalsContact CA-O 3.3Å; S44-K79 WeakPolarHBondContact CA-O 3.42Å; S44-I91 CarbonylContact O-C 3.59Å; S44-I91 WeakPolarHBondContact O-CA 3.33Å; S44-E92 PolarHBondContact N-O 3.42Å; S44-E92 PolarHBondContact O-N 3.14Å; S44-E92 PolarHBondContact OG-OE2 3.3Å
45	F	96.4	Very high	92.7	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.6	174.2	-59.4	-84.6	0	0	0	108.6	M43 F47 I57 F60 C61 I64 I78 K79 I80 N81 I91	M43-F45 HydrophobicContact CB-CE2 3.84Å; M43-F45 HydrophobicContact CB-CZ 4.06Å; M43-F45 HydrophobicContact SD-CZ 4.25Å; F45-F47 HydrophobicContact CB-CD1 4.26Å; F45-F47 HydrophobicContact CB-CE1 4.22Å; F45-I57 HydrophobicContact CD1-CG2 4.3Å; F45-F60 AromaticContact CE1-CD1 3.58Å; F45-F60 HydrophobicContact CE1-CD1 3.58Å; F45-F60 AromaticContact CE1-CE1 3.73Å; F45-F60 HydrophobicContact CE1-CE1 3.73Å; F45-F60 HydrophobicContact CZ-CD1 4.19Å; F45-F60 HydrophobicContact CZ-CE1 4.02Å; F45-C61 WeakPolarHBondContact CD1-SG 3.4Å; F45-C61 WeakPolarHBondContact CG-SG 3.5Å; F45-I64 HydrophobicContact CE1-CD1 4.31Å; F45-I64 HydrophobicContact CE2-CD1 4.39Å; F45-I64 HydrophobicContact CZ-CD1 3.57Å; F45-I78 HydrophobicContact CD2-CG2 4.02Å; F45-I78 HydrophobicContact CE2-CG2 3.81Å; F45-K79 PolarHBondContact N-O 2.93Å; F45-I80 HydrophobicContact CD2-CG1 4.29Å; F45-N81 PolarHBondContact O-N 2.95Å; F45-I91 HydrophobicContact CD1-CB 4.41Å; F45-I91 HydrophobicContact CD1-CD1 4.23Å; F45-I91 HydrophobicContact CD1-CG1 3.82Å; F45-I91 HydrophobicContact CD1-CG2 4Å; F45-I91 HydrophobicContact CE1-CB 4.4Å; F45-I91 HydrophobicContact CE1-CD1 3.96Å; F45-I91 HydrophobicContact CE1-CG1 3.96Å; F45-I91 HydrophobicContact CE1-CG2 3.64Å; F45-I91 HydrophobicContact CZ-CG2 4.26Å
46	R	95.8	Very high	92.7	Very high	96 Å²	96	54.1 Å²	54.1	36%	0.362	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.3	176.1	-55.4	-175.7	-170.1	-176.4	6.9	108.2	N81 L83 P89 E90 E92	R46-N81 WeakPolarHBondContact CA-O 3.44Å; R46-N81 HydrophobicContact CG-CB 4.13Å; R46-L83 HydrophobicContact CB-CD1 4.25Å; R46-P89 WeakPolarHBondContact O-CA 3.37Å; R46-E90 HydrophobicContact CB-CB 4.48Å; R46-E90 PolarHBondContact N-O 3.24Å; R46-E90 PolarHBondContact O-N 3.12Å; R46-E92 IonicContact CZ-OE2 2.81Å; R46-E92 IonicContact NE-OE2 2.67Å; R46-E92 IonicContact NH2-OE2 3.91Å; R46-E92 PolarHBondContact NH2-OE2 2.95Å
47	F	95.7	Very high	92.8	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.066	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	157.2	178.9	64.9	-85.2	0	0	0	112.1	F45 P49 T54 I57 R58 I80 N81 V82 L83 P89	F45-F47 HydrophobicContact CB-CD1 4.26Å; F45-F47 HydrophobicContact CB-CE1 4.22Å; F47-P49 HydrophobicContact CE2-CB 4.29Å; F47-T54 HydrophobicContact CB-CG2 4.01Å; F47-I57 HydrophobicContact CB-CG2 4.13Å; F47-I57 HydrophobicContact CD1-CB 4.49Å; F47-I57 HydrophobicContact CD1-CG2 3.22Å; F47-I57 HydrophobicContact CD2-CG2 4.44Å; F47-I57 HydrophobicContact CE1-CG2 3.59Å; F47-I57 HydrophobicContact CG-CG2 3.7Å; F47-I57 HydrophobicContact CZ-CG2 4.37Å; F47-R58 HydrophobicContact CD2-CG 4Å; F47-R58 HydrophobicContact CE2-CG 3.48Å; F47-R58 VanDerWaalsContact CE2-CG 3.48Å; F47-R58 HydrophobicContact CZ-CG 4.07Å; F47-I80 HydrophobicContact CE1-CG2 3.82Å; F47-I80 HydrophobicContact CZ-CG2 4.19Å; F47-N81 PolarHBondContact N-O 3.47Å; F47-V82 WeakPolarHBondContact O-CA 3.37Å; F47-L83 PolarHBondContact O-N 3.27Å; F47-P89 HydrophobicContact CB-CB 4.11Å
48	N	94.4	Very high	92.8	Very high	4 Å²	4	56 Å²	56	2%	0.021	26%	0.264	C	S	.	.			trans	-98.3	120.2	169	-175.8	-21.8	0	0	0	110.1	L50 L51 T54 L83 S84 D85	N48-L50 PolarHBondContact O-N 2.99Å; N48-L50 WeakPolarHBondContact OD1-CB 3.34Å; N48-L50 PolarHBondContact OD1-N 2.67Å; N48-L51 HydrophobicContact CB-CD1 3.93Å; N48-L51 HydrophobicContact CB-CG 4.15Å; N48-L51 PolarHBondContact O-N 3.04Å; N48-T54 WeakPolarHBondContact O-CB 3.15Å; N48-T54 WeakPolarHBondContact O-CG2 3.46Å; N48-T54 PolarHBondContact O-OG1 2.79Å; N48-L83 VanDerWaalsContact CA-O 3.26Å; N48-L83 WeakPolarHBondContact CA-O 3.39Å; N48-L83 VanDerWaalsContact CB-O 3.25Å; N48-L83 WeakPolarHBondContact CB-O 3.12Å; N48-S84 PolarHBondContact ND2-O 3.35Å; N48-S84 VanDerWaalsContact ND2-O 3.09Å; N48-D85 WeakPolarHBondContact CB-O 3.48Å; N48-D85 PolarHBondContact ND2-O 3.35Å
49	P	92.8	Very high	92.8	Very high	56 Å²	56	52.2 Å²	52.2	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.1	-175.2	29.2	-35.1	0	0	0	113.3	F47 R58 V82	F47-P49 HydrophobicContact CE2-CB 4.29Å; P49-R58 PolarHBondContact O-NH1 2.84Å; P49-V82 HydrophobicContact CG-CG1 3.78Å
50	L	90.2	Very high	92.7	Very high	154 Å²	154	51.8 Å²	51.8	81%	0.806	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-19.8	180	-57.9	176.7	0	0	0	112.6	N48	N48-L50 PolarHBondContact O-N 2.99Å; N48-L50 WeakPolarHBondContact OD1-CB 3.34Å; N48-L50 PolarHBondContact OD1-N 2.67Å
51	L	91.2	Very high	92.7	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.267	25%	0.25	S	C	.	.	S	Bend	trans	-82.7	139.6	179.2	-61.9	175.8	0	0	0	110.8	N48 K53 T54 R58	N48-L51 HydrophobicContact CB-CD1 3.93Å; N48-L51 HydrophobicContact CB-CG 4.15Å; N48-L51 PolarHBondContact O-N 3.04Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-T54 HydrophobicContact CB-CG2 4.07Å; L51-T54 PolarHBondContact O-OG1 3.17Å; L51-R58 PolarHBondContact O-NH1 2.97Å
52	Q	87	Confident	92.6	Very high	173 Å²	173	51.8 Å²	51.8	81%	0.808	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.4	-35.9	177.3	-71.8	-177	-7.7	0	0	112.2	T54 E55	Q52-T54 PolarHBondContact O-N 2.79Å; Q52-E55 WeakPolarHBondContact O-CB 3.31Å; Q52-E55 PolarHBondContact O-N 2.9Å; Q52-E55 VanDerWaalsContact O-N 3.12Å
53	K	88.1	Confident	92.4	Very high	120 Å²	120	49.8 Å²	49.8	52%	0.522	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-61.2	-11.1	-178.8	-55	-178.2	179.9	178	0	114.5	L51 E106	L51-K53 VanDerWaalsContact C-N 3.34Å; K53-E106 HydrophobicContact CB-CG 4.24Å; K53-E106 HydrophobicContact CD-CG 3.63Å; K53-E106 VanDerWaalsContact CD-OE1 3.3Å; K53-E106 WeakPolarHBondContact CD-OE1 3.08Å; K53-E106 HydrophobicContact CG-CG 4.5Å; K53-E106 IonicContact NZ-OE1 3.51Å; K53-E106 PolarHBondContact NZ-OE1 3.37Å
54	T	90.8	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-96.3	7.2	-179.1	67	0	0	0	0	113.2	F47 N48 L51 Q52 S56 I57 R58 P89	F47-T54 HydrophobicContact CB-CG2 4.01Å; N48-T54 WeakPolarHBondContact O-CB 3.15Å; N48-T54 WeakPolarHBondContact O-CG2 3.46Å; N48-T54 PolarHBondContact O-OG1 2.79Å; L51-T54 HydrophobicContact CB-CG2 4.07Å; L51-T54 PolarHBondContact O-OG1 3.17Å; Q52-T54 PolarHBondContact O-N 2.79Å; T54-S56 VanDerWaalsContact C-N 3.35Å; T54-S56 PolarHBondContact O-N 3.46Å; T54-I57 PolarHBondContact O-N 2.93Å; T54-R58 WeakPolarHBondContact O-CG 3.49Å; T54-R58 PolarHBondContact O-N 2.9Å; T54-R58 PolarHBondContact OG1-NH1 2.8Å; T54-P89 HydrophobicContact CG2-CB 3.78Å; T54-P89 HydrophobicContact CG2-CG 3.95Å
55	E	90.2	Very high	91.9	Very high	102 Å²	102	52.6 Å²	52.6	48%	0.477	27%	0.265	S	S	.	.	H	α-helix	trans	-56	-45.7	178.9	-172.7	-176.5	169.6	0	0	112.9	Q52 I57 R58 Q59	Q52-E55 WeakPolarHBondContact O-CB 3.31Å; Q52-E55 PolarHBondContact O-N 2.9Å; Q52-E55 VanDerWaalsContact O-N 3.12Å; E55-I57 PolarHBondContact O-N 3.35Å; E55-R58 VanDerWaalsContact CA-NH2 3.32Å; E55-R58 PolarHBondContact O-N 3.24Å; E55-Q59 HydrophobicContact CG-CG 4.39Å; E55-Q59 WeakPolarHBondContact O-CG 3.38Å; E55-Q59 PolarHBondContact O-N 3.05Å; E55-Q59 PolarHBondContact OE1-NE2 2.92Å
56	S	89.4	Confident	91.5	Very high	14 Å²	14	56.2 Å²	56.2	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-46	-179.6	53.7	0	0	0	0	112	T54 F60 L108	T54-S56 VanDerWaalsContact C-N 3.35Å; T54-S56 PolarHBondContact O-N 3.46Å; S56-F60 WeakPolarHBondContact O-CB 3.28Å; S56-F60 PolarHBondContact O-N 3.36Å; S56-L108 WeakPolarHBondContact CB-O 3.15Å; S56-L108 PolarHBondContact OG-O 2.84Å
57	I	93.3	Very high	91.1	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-45.8	174.3	-81.4	-173.6	0	0	0	111.5	F45 F47 T54 E55 Q59 F60 C61 P89 I91 T105	F45-I57 HydrophobicContact CD1-CG2 4.3Å; F47-I57 HydrophobicContact CB-CG2 4.13Å; F47-I57 HydrophobicContact CD1-CB 4.49Å; F47-I57 HydrophobicContact CD1-CG2 3.22Å; F47-I57 HydrophobicContact CD2-CG2 4.44Å; F47-I57 HydrophobicContact CE1-CG2 3.59Å; F47-I57 HydrophobicContact CG-CG2 3.7Å; F47-I57 HydrophobicContact CZ-CG2 4.37Å; T54-I57 PolarHBondContact O-N 2.93Å; E55-I57 PolarHBondContact O-N 3.35Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 3.02Å; I57-F60 PolarHBondContact O-N 3.48Å; I57-F60 VanDerWaalsContact O-N 3.12Å; I57-C61 PolarHBondContact O-N 2.83Å; I57-C61 PolarHBondContact O-SG 3.46Å; I57-C61 VanDerWaalsContact O-SG 3.35Å; I57-P89 HydrophobicContact CD1-CB 3.66Å; I57-I91 HydrophobicContact CD1-CD1 4.28Å; I57-I91 HydrophobicContact CD1-CG1 3.59Å; I57-I91 HydrophobicContact CG1-CD1 3.96Å; I57-I91 HydrophobicContact CG1-CG1 3.83Å; I57-T105 HydrophobicContact CD1-CG2 3.78Å; I57-T105 WeakPolarHBondContact CD1-OG1 3.44Å; I57-T105 HydrophobicContact CG1-CG2 3.69Å; I57-T105 WeakPolarHBondContact CG1-OG1 3.4Å
58	R	92.5	Very high	90.8	Very high	79 Å²	79	62.8 Å²	62.8	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-45.8	-179	-74.4	-169.9	-56.4	-104.3	-11.6	111.3	F47 P49 L51 T54 E55 F60 C61 S62	F47-R58 HydrophobicContact CD2-CG 4Å; F47-R58 HydrophobicContact CE2-CG 3.48Å; F47-R58 VanDerWaalsContact CE2-CG 3.48Å; F47-R58 HydrophobicContact CZ-CG 4.07Å; P49-R58 PolarHBondContact O-NH1 2.84Å; L51-R58 PolarHBondContact O-NH1 2.97Å; T54-R58 WeakPolarHBondContact O-CG 3.49Å; T54-R58 PolarHBondContact O-N 2.9Å; T54-R58 PolarHBondContact OG1-NH1 2.8Å; E55-R58 VanDerWaalsContact CA-NH2 3.32Å; E55-R58 PolarHBondContact O-N 3.24Å; R58-F60 VanDerWaalsContact C-N 3.34Å; R58-C61 PolarHBondContact O-N 3.01Å; R58-S62 PolarHBondContact O-N 2.9Å
59	Q	91.8	Very high	90.5	Very high	63 Å²	63	64.9 Å²	64.9	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.5	-69.9	175.6	-6	0	0	111.2	E55 I57 S62 I63 L110	E55-Q59 HydrophobicContact CG-CG 4.39Å; E55-Q59 WeakPolarHBondContact O-CG 3.38Å; E55-Q59 PolarHBondContact O-N 3.05Å; E55-Q59 PolarHBondContact OE1-NE2 2.92Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 3.02Å; Q59-S62 WeakPolarHBondContact O-CB 3.29Å; Q59-S62 PolarHBondContact O-N 2.93Å; Q59-I63 WeakPolarHBondContact O-CG1 3.44Å; Q59-I63 PolarHBondContact O-N 3.37Å; Q59-L110 HydrophobicContact CB-CD1 3.27Å; Q59-L110 HydrophobicContact CG-CD1 4.39Å
60	F	92.3	Very high	90.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-40.3	177.5	-174.5	-127.9	0	0	0	112.6	F45 S56 I57 R58 S62 I63 I64 I91 I114 I117	F45-F60 AromaticContact CE1-CD1 3.58Å; F45-F60 HydrophobicContact CE1-CD1 3.58Å; F45-F60 AromaticContact CE1-CE1 3.73Å; F45-F60 HydrophobicContact CE1-CE1 3.73Å; F45-F60 HydrophobicContact CZ-CD1 4.19Å; F45-F60 HydrophobicContact CZ-CE1 4.02Å; S56-F60 WeakPolarHBondContact O-CB 3.28Å; S56-F60 PolarHBondContact O-N 3.36Å; I57-F60 PolarHBondContact O-N 3.48Å; I57-F60 VanDerWaalsContact O-N 3.12Å; R58-F60 VanDerWaalsContact C-N 3.34Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 3.4Å; F60-I63 PolarHBondContact O-N 3.04Å; F60-I64 HydrophobicContact CD1-CD1 3.8Å; F60-I64 HydrophobicContact CD2-CD1 4.07Å; F60-I64 HydrophobicContact CD2-CG1 4.28Å; F60-I64 HydrophobicContact CE1-CD1 3.3Å; F60-I64 HydrophobicContact CE1-CG1 4.44Å; F60-I64 HydrophobicContact CE2-CD1 3.6Å; F60-I64 HydrophobicContact CE2-CG1 3.91Å; F60-I64 HydrophobicContact CG-CD1 4.16Å; F60-I64 HydrophobicContact CZ-CD1 3.21Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.39Å; F60-I64 PolarHBondContact O-N 3.08Å; F60-I91 HydrophobicContact CD1-CD1 3.78Å; F60-I91 HydrophobicContact CE1-CD1 4.02Å; F60-I114 HydrophobicContact CD2-CD1 3.99Å; F60-I114 HydrophobicContact CD2-CG1 3.71Å; F60-I114 HydrophobicContact CE2-CD1 4.15Å; F60-I114 HydrophobicContact CE2-CG1 3.52Å; F60-I114 HydrophobicContact CZ-CG1 4.41Å; F60-I117 HydrophobicContact CE1-CD1 3.52Å; F60-I117 HydrophobicContact CE2-CD1 4.49Å; F60-I117 HydrophobicContact CZ-CD1 3.4Å
61	C	93.8	Very high	89.9	Confident	14 Å²	14	63.4 Å²	63.4	10%	0.095	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-41.7	171.7	-70.9	0	0	0	0	111.6	F45 I57 R58 I64 S65	F45-C61 WeakPolarHBondContact CD1-SG 3.4Å; F45-C61 WeakPolarHBondContact CG-SG 3.5Å; I57-C61 PolarHBondContact O-N 2.83Å; I57-C61 PolarHBondContact O-SG 3.46Å; I57-C61 VanDerWaalsContact O-SG 3.35Å; R58-C61 PolarHBondContact O-N 3.01Å; C61-I64 PolarHBondContact O-N 3.03Å; C61-S65 WeakPolarHBondContact O-CB 3.43Å; C61-S65 PolarHBondContact O-N 3.22Å
62	S	91.7	Very high	89.8	Confident	73 Å²	73	62.7 Å²	62.7	51%	0.51	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-43.6	175.5	177.6	0	0	0	0	111.5	R58 Q59 F60 S65	R58-S62 PolarHBondContact O-N 2.9Å; Q59-S62 WeakPolarHBondContact O-CB 3.29Å; Q59-S62 PolarHBondContact O-N 2.93Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 3.4Å; S62-S65 WeakPolarHBondContact O-CB 3.44Å; S62-S65 PolarHBondContact O-N 3.06Å; S62-S65 PolarHBondContact O-OG 3.24Å
63	I	91.3	Very high	90	Very high	29 Å²	29	55.9 Å²	55.9	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-48.4	176.3	-68.3	164.1	0	0	0	110.8	I27 L32 Q59 F60 S65 D66 W69 L110	I27-I63 HydrophobicContact CD1-CD1 3.22Å; L32-I63 HydrophobicContact CD1-CG2 4.11Å; L32-I63 HydrophobicContact CD2-CG2 3.76Å; Q59-I63 WeakPolarHBondContact O-CG1 3.44Å; Q59-I63 PolarHBondContact O-N 3.37Å; F60-I63 PolarHBondContact O-N 3.04Å; I63-S65 PolarHBondContact O-N 3.28Å; I63-D66 PolarHBondContact O-N 3Å; I63-W69 HydrophobicContact CG2-CG 4.4Å; I63-W69 VanDerWaalsContact O-CD1 3.24Å; I63-L110 HydrophobicContact CD1-CD1 3.84Å
64	I	90.7	Very high	89.9	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-30	179.9	-67.8	169.4	0	0	0	110.4	M43 F45 F60 C61 D66 R70 I78	M43-I64 HydrophobicContact CE-CD1 3.96Å; M43-I64 HydrophobicContact SD-CD1 4.31Å; F45-I64 HydrophobicContact CE1-CD1 4.31Å; F45-I64 HydrophobicContact CE2-CD1 4.39Å; F45-I64 HydrophobicContact CZ-CD1 3.57Å; F60-I64 HydrophobicContact CD1-CD1 3.8Å; F60-I64 HydrophobicContact CD2-CD1 4.07Å; F60-I64 HydrophobicContact CD2-CG1 4.28Å; F60-I64 HydrophobicContact CE1-CD1 3.3Å; F60-I64 HydrophobicContact CE1-CG1 4.44Å; F60-I64 HydrophobicContact CE2-CD1 3.6Å; F60-I64 HydrophobicContact CE2-CG1 3.91Å; F60-I64 HydrophobicContact CG-CD1 4.16Å; F60-I64 HydrophobicContact CZ-CD1 3.21Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.39Å; F60-I64 PolarHBondContact O-N 3.08Å; C61-I64 PolarHBondContact O-N 3.03Å; I64-D66 PolarHBondContact O-N 3.19Å; I64-D66 VanDerWaalsContact O-N 3.14Å; I64-R70 HydrophobicContact CG2-CG 4.35Å; I64-R70 PolarHBondContact O-NE 3.15Å; I64-R70 PolarHBondContact O-NH1 3.48Å; I64-R70 PolarHBondContact O-NH2 3.2Å; I64-R70 VanDerWaalsContact O-NH2 3.08Å; I64-I78 HydrophobicContact CG2-CD1 3.31Å; I64-I78 HydrophobicContact CG2-CG1 4.35Å
65	S	89.9	Confident	89.8	Confident	59 Å²	59	62.2 Å²	62.2	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-55.4	-30.6	177.8	81.9	0	0	0	0	113.5	C61 S62 I63 R70	C61-S65 WeakPolarHBondContact O-CB 3.43Å; C61-S65 PolarHBondContact O-N 3.22Å; S62-S65 WeakPolarHBondContact O-CB 3.44Å; S62-S65 PolarHBondContact O-N 3.06Å; S62-S65 PolarHBondContact O-OG 3.24Å; I63-S65 PolarHBondContact O-N 3.28Å; S65-R70 VanDerWaalsContact CA-NH2 3.32Å; S65-R70 PolarHBondContact O-NH1 2.99Å
66	D	89.6	Confident	89.9	Confident	76 Å²	76	58.1 Å²	58.1	41%	0.406	32%	0.315	S	S	.	.	S	Bend	trans	-70.3	122.5	175.6	-79.2	-30.8	0	0	0	111.4	I63 I64 K68 W69	I63-D66 PolarHBondContact O-N 3Å; I64-D66 PolarHBondContact O-N 3.19Å; I64-D66 VanDerWaalsContact O-N 3.14Å; D66-K68 PolarHBondContact O-N 3.44Å; D66-W69 PolarHBondContact O-N 2.92Å
67	P	87.1	Confident	90.1	Very high	93 Å²	93	62.1 Å²	62.1	60%	0.604	33%	0.334	S	S	*	.	H	α-helix	trans	-63.3	-21.9	-177.9	25.3	-34.2	0	0	0	113	W69 R70 T71	P67-W69 PolarHBondContact O-N 2.86Å; P67-R70 PolarHBondContact O-N 3.41Å; P67-T71 PolarHBondContact O-N 3.45Å
68	K	88.8	Confident	90.1	Very high	157 Å²	157	64.2 Å²	64.2	68%	0.683	35%	0.345	S	S	*	.	H	α-helix	trans	-52.2	-40.9	177	-67.2	176.3	-177.8	168.4	0	112.1	D66 T71	D66-K68 PolarHBondContact O-N 3.44Å; K68-T71 WeakPolarHBondContact O-CG2 3.44Å; K68-T71 PolarHBondContact O-OG1 3.35Å
69	W	87.4	Confident	90.2	Very high	48 Å²	48	65.5 Å²	65.5	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-86.6	-16.5	-177.6	-52.2	114.5	0	0	0	112.9	K29 L32 K33 F37 I63 D66 P67	K29-W69 HydrophobicContact CB-CH2 4.46Å; L32-W69 HydrophobicContact CB-CD2 4.12Å; L32-W69 HydrophobicContact CB-CE3 3.72Å; L32-W69 HydrophobicContact CB-CH2 3.59Å; L32-W69 HydrophobicContact CB-CZ2 4Å; L32-W69 HydrophobicContact CB-CZ3 3.44Å; L32-W69 VanDerWaalsContact CB-CZ3 3.44Å; L32-W69 HydrophobicContact CD1-CD2 4.47Å; L32-W69 HydrophobicContact CD1-CH2 4.05Å; L32-W69 HydrophobicContact CD1-CZ2 3.65Å; L32-W69 HydrophobicContact CG-CH2 4.48Å; L32-W69 HydrophobicContact CG-CZ2 4.48Å; K33-W69 HydrophobicContact CG-CZ3 3.93Å; F37-W69 WeakPolarHBondContact CD2-O 3.19Å; F37-W69 VanDerWaalsContact CE2-O 3.29Å; F37-W69 WeakPolarHBondContact CE2-O 3.43Å; I63-W69 HydrophobicContact CG2-CG 4.4Å; I63-W69 VanDerWaalsContact O-CD1 3.24Å; D66-W69 PolarHBondContact O-N 2.92Å; P67-W69 PolarHBondContact O-N 2.86Å
70	R	85.6	Confident	90.4	Very high	69 Å²	69	66.8 Å²	66.8	26%	0.26	36%	0.361	S	S	.	.	H	α-helix	trans	-88.9	0.8	175.4	-62.1	-175.7	-178.2	135.5	-5.8	114	I64 S65 P67 S72 N73	I64-R70 HydrophobicContact CG2-CG 4.35Å; I64-R70 PolarHBondContact O-NE 3.15Å; I64-R70 PolarHBondContact O-NH1 3.48Å; I64-R70 PolarHBondContact O-NH2 3.2Å; I64-R70 VanDerWaalsContact O-NH2 3.08Å; S65-R70 VanDerWaalsContact CA-NH2 3.32Å; S65-R70 PolarHBondContact O-NH1 2.99Å; P67-R70 PolarHBondContact O-N 3.41Å; R70-S72 PolarHBondContact O-N 3.19Å; R70-S72 VanDerWaalsContact O-N 3.08Å; R70-N73 CarbonylContact O-C 3.58Å; R70-N73 PolarHBondContact O-N 3.26Å; R70-N73 VanDerWaalsContact O-O 3.1Å
71	T	86.1	Confident	90.6	Very high	110 Å²	110	69 Å²	69	68%	0.675	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.8	-178.1	47.4	0	0	0	0	113.8	P67 K68 N73	P67-T71 PolarHBondContact O-N 3.45Å; K68-T71 WeakPolarHBondContact O-CG2 3.44Å; K68-T71 PolarHBondContact O-OG1 3.35Å; T71-N73 VanDerWaalsContact C-N 3.34Å
72	S	89	Confident	90.6	Very high	36 Å²	36	72.8 Å²	72.8	25%	0.252	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.4	176.3	52.7	0	0	0	0	113.7	F37 K38 R70	F37-S72 WeakPolarHBondContact CB-OG 3.39Å; F37-S72 WeakPolarHBondContact CD2-OG 3.19Å; F37-S72 PolarHBondContact N-OG 2.86Å; K38-S72 WeakPolarHBondContact CG-O 3.49Å; R70-S72 PolarHBondContact O-N 3.19Å; R70-S72 VanDerWaalsContact O-N 3.08Å
73	N	90.5	Very high	90.8	Very high	29 Å²	29	72.1 Å²	72.1	16%	0.155	39%	0.386	C	S	.	.			trans	-151.1	100.6	175.1	-175.5	-1.3	0	0	0	110.4	F37 V40 R70 T71 N75 L76	F37-N73 HydrophobicContact CB-CB 3.94Å; F37-N73 VanDerWaalsContact O-CB 3.28Å; F37-N73 WeakPolarHBondContact O-CB 3.32Å; F37-N73 PolarHBondContact O-ND2 3.07Å; V40-N73 PolarHBondContact O-ND2 2.89Å; R70-N73 CarbonylContact O-C 3.58Å; R70-N73 PolarHBondContact O-N 3.26Å; R70-N73 VanDerWaalsContact O-O 3.1Å; T71-N73 VanDerWaalsContact C-N 3.34Å; N73-N75 PolarHBondContact O-N 2.87Å; N73-N75 PolarHBondContact OD1-N 2.97Å; N73-L76 HydrophobicContact CB-CB 4.35Å; N73-L76 WeakPolarHBondContact O-CB 3.47Å; N73-L76 PolarHBondContact O-N 3.36Å; N73-L76 PolarHBondContact OD1-N 3.23Å
74	T	86.2	Confident	90.8	Very high	119 Å²	119	75.5 Å²	75.5	73%	0.73	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.5	178.7	52.2	0	0	0	0	113.3	L76	T74-L76 VanDerWaalsContact C-N 3.35Å
75	N	89.8	Confident	90.9	Very high	135 Å²	135	80.3 Å²	80.3	72%	0.722	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.4	-177.5	-60.8	-16.9	0	0	0	112.6	N73 I77	N73-N75 PolarHBondContact O-N 2.87Å; N73-N75 PolarHBondContact OD1-N 2.97Å; N75-I77 PolarHBondContact O-N 3.26Å
76	L	91.5	Very high	90.9	Very high	16 Å²	16	84.2 Å²	84.2	8%	0.084	45%	0.454	C	S	.	.			trans	-57.9	119.7	178.2	174.3	108.4	0	0	0	110.8	F37 V40 M43 N73 T74 I78	F37-L76 HydrophobicContact CB-CD1 4.09Å; F37-L76 HydrophobicContact CD1-CD1 4.41Å; F37-L76 HydrophobicContact CG-CD1 4.39Å; V40-L76 HydrophobicContact CB-CD1 3.66Å; V40-L76 HydrophobicContact CG1-CD1 3.39Å; M43-L76 HydrophobicContact CE-CD1 3.77Å; M43-L76 HydrophobicContact CE-CD2 3.56Å; M43-L76 HydrophobicContact CE-CG 4.26Å; M43-L76 HydrophobicContact CG-CD1 4.42Å; N73-L76 HydrophobicContact CB-CB 4.35Å; N73-L76 WeakPolarHBondContact O-CB 3.47Å; N73-L76 PolarHBondContact O-N 3.36Å; N73-L76 PolarHBondContact OD1-N 3.23Å; T74-L76 VanDerWaalsContact C-N 3.35Å; L76-I78 HydrophobicContact CD2-CD1 3.38Å; L76-I78 HydrophobicContact CD2-CG1 3.4Å; L76-I78 HydrophobicContact CG-CG1 4.21Å
77	I	93	Very high	91	Very high	98 Å²	98	82.2 Å²	82.2	50%	0.503	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.5	178.2	-58.7	171.1	0	0	0	109.1	I41 K42 M43 N75	I41-I77 PolarHBondContact O-N 3.01Å; K42-I77 CarbonylContact C-O 3.58Å; K42-I77 VanDerWaalsContact CA-O 3.27Å; K42-I77 WeakPolarHBondContact CA-O 3.3Å; K42-I77 HydrophobicContact CB-CB 4.33Å; K42-I77 HydrophobicContact CG-CB 4.26Å; K42-I77 HydrophobicContact CG-CG2 4.28Å; M43-I77 PolarHBondContact N-O 3.22Å; N75-I77 PolarHBondContact O-N 3.26Å
78	I	94	Very high	91.1	Very high	44 Å²	44	80.2 Å²	80.2	23%	0.226	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123	175.3	-66.9	160.1	0	0	0	109.6	M43 F45 I64 L76 I80	M43-I78 WeakPolarHBondContact O-CA 3.47Å; F45-I78 HydrophobicContact CD2-CG2 4.02Å; F45-I78 HydrophobicContact CE2-CG2 3.81Å; I64-I78 HydrophobicContact CG2-CD1 3.31Å; I64-I78 HydrophobicContact CG2-CG1 4.35Å; L76-I78 HydrophobicContact CD2-CD1 3.38Å; L76-I78 HydrophobicContact CD2-CG1 3.4Å; L76-I78 HydrophobicContact CG-CG1 4.21Å; I78-I80 HydrophobicContact CG2-CG1 4.27Å
79	K	95.4	Very high	91.4	Very high	106 Å²	106	72.9 Å²	72.9	46%	0.461	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.8	176.7	-168.7	172.6	-176	176.7	0	109.6	M43 S44 F45 N81	M43-K79 PolarHBondContact O-N 2.92Å; S44-K79 CarbonylContact C-O 3.54Å; S44-K79 VanDerWaalsContact CA-O 3.3Å; S44-K79 WeakPolarHBondContact CA-O 3.42Å; F45-K79 PolarHBondContact N-O 2.93Å; K79-N81 VanDerWaalsContact CE-OD1 3.23Å; K79-N81 WeakPolarHBondContact CE-OD1 3.23Å
80	I	95.5	Very high	91.8	Very high	89 Å²	89	72.9 Å²	72.9	46%	0.456	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.8	175.5	-58.6	171.2	0	0	0	107.4	F45 F47 I78 V82	F45-I80 HydrophobicContact CD2-CG1 4.29Å; F47-I80 HydrophobicContact CE1-CG2 3.82Å; F47-I80 HydrophobicContact CZ-CG2 4.19Å; I78-I80 HydrophobicContact CG2-CG1 4.27Å; I80-V82 HydrophobicContact CG2-CG2 4.05Å
81	N	95.5	Very high	92.3	Very high	47 Å²	47	69.6 Å²	69.6	25%	0.251	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	102.5	175.3	-65.3	-17.5	0	0	0	108	F45 R46 F47 K79	F45-N81 PolarHBondContact O-N 2.95Å; R46-N81 WeakPolarHBondContact CA-O 3.44Å; R46-N81 HydrophobicContact CG-CB 4.13Å; F47-N81 PolarHBondContact N-O 3.47Å; K79-N81 VanDerWaalsContact CE-OD1 3.23Å; K79-N81 WeakPolarHBondContact CE-OD1 3.23Å
82	V	95.2	Very high	92.8	Very high	94 Å²	94	66.3 Å²	66.3	57%	0.57	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.3	174.9	-176	0	0	0	0	107.8	F47 P49 I80	F47-V82 WeakPolarHBondContact O-CA 3.37Å; P49-V82 HydrophobicContact CG-CG1 3.78Å; I80-V82 HydrophobicContact CG2-CG2 4.05Å
83	L	94.4	Very high	93.2	Very high	59 Å²	59	64.6 Å²	64.6	31%	0.309	36%	0.356	S	S	.	.			trans	-104.2	149.6	179.3	-59.5	175.9	0	0	0	110	R46 F47 N48 S87	R46-L83 HydrophobicContact CB-CD1 4.25Å; F47-L83 PolarHBondContact O-N 3.27Å; N48-L83 VanDerWaalsContact CA-O 3.26Å; N48-L83 WeakPolarHBondContact CA-O 3.39Å; N48-L83 VanDerWaalsContact CB-O 3.25Å; N48-L83 WeakPolarHBondContact CB-O 3.12Å; L83-S87 VanDerWaalsContact CD1-OG 3.23Å; L83-S87 WeakPolarHBondContact CD1-OG 3.37Å
84	S	91.8	Very high	93.4	Very high	100 Å²	100	64.3 Å²	64.3	70%	0.699	36%	0.356	S	S	*	.			trans	-95	-9.2	173.6	49.2	0	0	0	0	113.5	N48	N48-S84 PolarHBondContact ND2-O 3.35Å; N48-S84 VanDerWaalsContact ND2-O 3.09Å
85	D	92.6	Very high	93.8	Very high	103 Å²	103	58.9 Å²	58.9	55%	0.551	32%	0.322	S	S	*	.	S	Bend	trans	-89.9	166.2	-173.9	-52.6	-24.9	0	0	0	111.4	N48 S87	N48-D85 WeakPolarHBondContact CB-O 3.48Å; N48-D85 PolarHBondContact ND2-O 3.35Å; D85-S87 PolarHBondContact O-N 3.11Å
86	N	90.2	Very high	93.9	Very high	141 Å²	141	56.6 Å²	56.6	75%	0.754	31%	0.31	S	S	*	.			trans	-78.5	32.3	174.5	-72.5	-17.8	0	0	0	113.2
87	S	90.7	Very high	93.9	Very high	33 Å²	33	60.1 Å²	60.1	23%	0.231	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.3	146.1	177.7	54.9	0	0	0	0	111.2	L83 D85	L83-S87 VanDerWaalsContact CD1-OG 3.23Å; L83-S87 WeakPolarHBondContact CD1-OG 3.37Å; D85-S87 PolarHBondContact O-N 3.11Å
88	P	91.1	Very high	93.8	Very high	52 Å²	52	58.4 Å²	58.4	34%	0.338	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-63.9	141.7	177.4	27	-33.9	0	0	0	110.1	E90	P88-E90 PolarHBondContact O-N 3.2Å
89	P	94.9	Very high	93.7	Very high	3 Å²	3	62 Å²	62	2%	0.019	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-67.7	132.2	175.9	26.2	-33	0	0	0	111.4	R46 F47 T54 I57 T105 E106	R46-P89 WeakPolarHBondContact O-CA 3.37Å; F47-P89 HydrophobicContact CB-CB 4.11Å; T54-P89 HydrophobicContact CG2-CB 3.78Å; T54-P89 HydrophobicContact CG2-CG 3.95Å; I57-P89 HydrophobicContact CD1-CB 3.66Å; P89-T105 WeakPolarHBondContact CB-OG1 3.32Å; P89-T105 WeakPolarHBondContact CG-OG1 3.42Å; P89-T105 PolarHBondContact O-N 2.81Å; P89-T105 PolarHBondContact O-OG1 2.92Å; P89-E106 HydrophobicContact CG-CB 4.18Å
90	E	95.3	Very high	93.7	Very high	48 Å²	48	61.7 Å²	61.7	22%	0.224	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.2	-174.6	-66.6	-175.2	163	0	0	111.8	R46 P88 L103 K104	R46-E90 HydrophobicContact CB-CB 4.48Å; R46-E90 PolarHBondContact N-O 3.24Å; R46-E90 PolarHBondContact O-N 3.12Å; P88-E90 PolarHBondContact O-N 3.2Å; E90-L103 CarbonylContact C-O 3.59Å; E90-L103 VanDerWaalsContact CA-O 3.32Å; E90-L103 WeakPolarHBondContact CA-O 3.43Å; E90-K104 HydrophobicContact CG-CG 4.18Å; E90-K104 WeakPolarHBondContact OE1-CE 3.37Å
91	I	96.2	Very high	93.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.3	168.5	-50.7	173.4	0	0	0	107.9	S44 F45 I57 F60 V93 I102 L103 T105 T113	S44-I91 CarbonylContact O-C 3.59Å; S44-I91 WeakPolarHBondContact O-CA 3.33Å; F45-I91 HydrophobicContact CD1-CB 4.41Å; F45-I91 HydrophobicContact CD1-CD1 4.23Å; F45-I91 HydrophobicContact CD1-CG1 3.82Å; F45-I91 HydrophobicContact CD1-CG2 4Å; F45-I91 HydrophobicContact CE1-CB 4.4Å; F45-I91 HydrophobicContact CE1-CD1 3.96Å; F45-I91 HydrophobicContact CE1-CG1 3.96Å; F45-I91 HydrophobicContact CE1-CG2 3.64Å; F45-I91 HydrophobicContact CZ-CG2 4.26Å; I57-I91 HydrophobicContact CD1-CD1 4.28Å; I57-I91 HydrophobicContact CD1-CG1 3.59Å; I57-I91 HydrophobicContact CG1-CD1 3.96Å; I57-I91 HydrophobicContact CG1-CG1 3.83Å; F60-I91 HydrophobicContact CD1-CD1 3.78Å; F60-I91 HydrophobicContact CE1-CD1 4.02Å; I91-V93 HydrophobicContact CG2-CG2 3.98Å; I91-I102 CarbonylContact O-C 3.53Å; I91-I102 WeakPolarHBondContact O-CA 3.36Å; I91-L103 HydrophobicContact CB-CB 4.24Å; I91-L103 PolarHBondContact N-O 2.8Å; I91-L103 PolarHBondContact O-N 2.78Å; I91-T105 HydrophobicContact CD1-CG2 3.69Å; I91-T105 HydrophobicContact CG1-CG2 3.84Å; I91-T113 HydrophobicContact CD1-CG2 3.46Å; I91-T113 VanDerWaalsContact CD1-CG2 3.46Å
92	E	96.6	Very high	93.7	Very high	41 Å²	41	61 Å²	61	19%	0.192	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.9	175.8	-179.2	-174.8	176	0	0	108.4	M43 S44 R46 I100 L101 I102	M43-E92 CarbonylContact C-O 3.52Å; M43-E92 WeakPolarHBondContact CA-O 3.42Å; S44-E92 PolarHBondContact N-O 3.42Å; S44-E92 PolarHBondContact O-N 3.14Å; S44-E92 PolarHBondContact OG-OE2 3.3Å; R46-E92 IonicContact CZ-OE2 2.81Å; R46-E92 IonicContact NE-OE2 2.67Å; R46-E92 IonicContact NH2-OE2 3.91Å; R46-E92 PolarHBondContact NH2-OE2 2.95Å; E92-I100 HydrophobicContact CG-CG2 3.7Å; E92-L101 CarbonylContact C-O 3.15Å; E92-L101 WeakPolarHBondContact CA-O 3.27Å; E92-I102 HydrophobicContact CG-CG1 4.49Å
93	V	96.1	Very high	93.7	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.4	-180	-174.2	0	0	0	0	108.3	V40 M43 I91 Y95 I100 L101	V40-V93 HydrophobicContact CB-CG1 4.46Å; V40-V93 HydrophobicContact CG1-CG1 3.54Å; V40-V93 HydrophobicContact CG2-CG1 4.05Å; M43-V93 HydrophobicContact CG-CB 4.37Å; M43-V93 HydrophobicContact CG-CG1 4.02Å; M43-V93 HydrophobicContact CG-CG2 4.04Å; M43-V93 HydrophobicContact SD-CG2 4.19Å; I91-V93 HydrophobicContact CG2-CG2 3.98Å; V93-Y95 HydrophobicContact CB-CE2 4.24Å; V93-Y95 HydrophobicContact CG1-CE1 4.09Å; V93-Y95 HydrophobicContact CG1-CE2 3.9Å; V93-I100 CarbonylContact O-C 3.55Å; V93-I100 WeakPolarHBondContact O-CA 3.4Å; V93-L101 HydrophobicContact CB-CB 4.24Å; V93-L101 PolarHBondContact N-O 2.81Å; V93-L101 PolarHBondContact O-N 2.79Å
94	S	95.8	Very high	93.6	Very high	23 Å²	23	60.7 Å²	60.7	16%	0.161	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.7	176.9	-46	0	0	0	0	109.9	I41 K42	I41-S94 PolarHBondContact N-O 3.47Å; K42-S94 PolarHBondContact N-O 2.77Å; K42-S94 PolarHBondContact O-N 3.06Å
95	Y	94.9	Very high	93.6	Very high	5 Å²	5	56 Å²	56	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	163.1	179.5	-60.9	-87.8	0	0	0	111.9	P39 V40 V93 N97 G98 R99 L101 T121 I124	P39-Y95 HydrophobicContact CB-CD1 4.28Å; P39-Y95 HydrophobicContact CG-CD1 4.31Å; P39-Y95 CarbonylContact O-C 3.54Å; P39-Y95 VanDerWaalsContact O-CA 3.23Å; P39-Y95 WeakPolarHBondContact O-CA 3.36Å; V40-Y95 HydrophobicContact CG2-CD1 3.89Å; V40-Y95 HydrophobicContact CG2-CE1 3.66Å; V93-Y95 HydrophobicContact CB-CE2 4.24Å; V93-Y95 HydrophobicContact CG1-CE1 4.09Å; V93-Y95 HydrophobicContact CG1-CE2 3.9Å; Y95-N97 VanDerWaalsContact C-N 3.3Å; Y95-N97 PolarHBondContact O-N 3.08Å; Y95-G98 PolarHBondContact O-N 2.85Å; Y95-R99 HydrophobicContact CD2-CB 4.4Å; Y95-R99 WeakPolarHBondContact CD2-O 3.34Å; Y95-R99 PolarHBondContact N-O 3.08Å; Y95-L101 HydrophobicContact CE2-CB 3.76Å; Y95-T121 HydrophobicContact CE1-CG2 3.82Å; Y95-I124 HydrophobicContact CD1-CD1 3.52Å; Y95-I124 HydrophobicContact CD1-CG2 4.29Å; Y95-I124 HydrophobicContact CD2-CD1 3.44Å; Y95-I124 VanDerWaalsContact CD2-CD1 3.44Å; Y95-I124 HydrophobicContact CE1-CD1 3.46Å; Y95-I124 VanDerWaalsContact CE1-CD1 3.46Å; Y95-I124 HydrophobicContact CE2-CD1 3.4Å; Y95-I124 HydrophobicContact CG-CD1 3.51Å; Y95-I124 VanDerWaalsContact CZ-CD1 3.4Å
96	D	92.1	Very high	93.4	Very high	86 Å²	86	54.5 Å²	54.5	46%	0.46	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.9	174.8	55.6	-3.4	0	0	0	114	P39 I41 G98	P39-D96 PolarHBondContact O-N 2.67Å; I41-D96 HydrophobicContact CD1-CB 4.26Å; I41-D96 HydrophobicContact CG1-CB 4.29Å; D96-G98 PolarHBondContact O-N 2.93Å
97	N	90.5	Very high	93.4	Very high	91 Å²	91	54.7 Å²	54.7	49%	0.487	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	8.1	177.8	-63.2	-11.9	0	0	0	113.6	Y95 R99	Y95-N97 VanDerWaalsContact C-N 3.3Å; Y95-N97 PolarHBondContact O-N 3.08Å; N97-R99 PolarHBondContact O-N 3.33Å
98	G	90.8	Very high	93.3	Very high	62 Å²	62	55.2 Å²	55.2	64%	0.639	29%	0.291	S	S	*	.	S	Bend	trans	76.3	-2	-177.8	0	0	0	0	0	114.7	Y95 D96	Y95-G98 PolarHBondContact O-N 2.85Å; D96-G98 PolarHBondContact O-N 2.93Å
99	R	93	Very high	93.2	Very high	120 Å²	120	54 Å²	54	45%	0.453	28%	0.284	S	S	.	.			trans	-70.9	148.8	174	-65.6	-172	-179.2	174.6	7.7	110.8	Y95 N97 E127	Y95-R99 HydrophobicContact CD2-CB 4.4Å; Y95-R99 WeakPolarHBondContact CD2-O 3.34Å; Y95-R99 PolarHBondContact N-O 3.08Å; N97-R99 PolarHBondContact O-N 3.33Å; R99-E127 IonicContact CZ-OE1 2.86Å; R99-E127 IonicContact CZ-OE2 3.98Å; R99-E127 IonicContact NE-OE2 3.2Å; R99-E127 IonicContact NH1-OE1 3.35Å; R99-E127 PolarHBondContact NH1-OE1 2.96Å; R99-E127 IonicContact NH1-OE2 2.78Å; R99-E127 PolarHBondContact NH1-OE2 3.19Å; R99-E127 IonicContact NH2-OE1 2.67Å; R99-E127 PolarHBondContact NH2-OE1 2.97Å; R99-E127 IonicContact NH2-OE2 2.97Å; R99-E127 PolarHBondContact NH2-OE2 3.09Å
100	I	95	Very high	93	Very high	99 Å²	99	54 Å²	54	51%	0.508	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.8	179	-53.6	174.9	0	0	0	108.4	E92 V93 I102	E92-I100 HydrophobicContact CG-CG2 3.7Å; V93-I100 CarbonylContact O-C 3.55Å; V93-I100 WeakPolarHBondContact O-CA 3.4Å; I100-I102 HydrophobicContact CG2-CG1 4.14Å
101	L	95.2	Very high	92.7	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.099	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	171	173.5	70.8	0	0	0	108.6	E92 V93 Y95 L103 H120	E92-L101 CarbonylContact C-O 3.15Å; E92-L101 WeakPolarHBondContact CA-O 3.27Å; V93-L101 HydrophobicContact CB-CB 4.24Å; V93-L101 PolarHBondContact N-O 2.81Å; V93-L101 PolarHBondContact O-N 2.79Å; Y95-L101 HydrophobicContact CE2-CB 3.76Å; L101-L103 HydrophobicContact CD1-CD2 4.03Å; L101-L103 HydrophobicContact CD1-CG 4.49Å; L101-L103 HydrophobicContact CD2-CD1 4.08Å; L101-L103 HydrophobicContact CD2-CD2 4.21Å; L101-L103 HydrophobicContact CD2-CG 4.13Å; L101-L103 HydrophobicContact CG-CD2 4.09Å; L101-L103 HydrophobicContact CG-CG 4.03Å; L101-H120 HydrophobicContact CD2-CB 3.96Å
102	I	95.6	Very high	92.3	Very high	101 Å²	101	57 Å²	57	52%	0.518	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.9	175.3	-58.2	174.3	0	0	0	108.1	I91 E92 I100	I91-I102 CarbonylContact O-C 3.53Å; I91-I102 WeakPolarHBondContact O-CA 3.36Å; E92-I102 HydrophobicContact CG-CG1 4.49Å; I100-I102 HydrophobicContact CG2-CG1 4.14Å
103	L	94.5	Very high	92.1	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.5	178	-59.8	172.3	0	0	0	109.4	E90 I91 L101 T105 T113 I116 I117	E90-L103 CarbonylContact C-O 3.59Å; E90-L103 VanDerWaalsContact CA-O 3.32Å; E90-L103 WeakPolarHBondContact CA-O 3.43Å; I91-L103 HydrophobicContact CB-CB 4.24Å; I91-L103 PolarHBondContact N-O 2.8Å; I91-L103 PolarHBondContact O-N 2.78Å; L101-L103 HydrophobicContact CD1-CD2 4.03Å; L101-L103 HydrophobicContact CD1-CG 4.49Å; L101-L103 HydrophobicContact CD2-CD1 4.08Å; L101-L103 HydrophobicContact CD2-CD2 4.21Å; L101-L103 HydrophobicContact CD2-CG 4.13Å; L101-L103 HydrophobicContact CG-CD2 4.09Å; L101-L103 HydrophobicContact CG-CG 4.03Å; L103-T105 HydrophobicContact CB-CG2 4.45Å; L103-T113 HydrophobicContact CD1-CG2 4.27Å; L103-I116 HydrophobicContact CD1-CG2 4.42Å; L103-I116 HydrophobicContact CD2-CB 4.38Å; L103-I116 HydrophobicContact CD2-CG2 3.49Å; L103-I116 VanDerWaalsContact CD2-CG2 3.49Å; L103-I117 HydrophobicContact CD1-CD1 4.02Å; L103-I117 HydrophobicContact CD1-CG1 3.62Å
104	K	93.3	Very high	91.9	Very high	136 Å²	136	55.1 Å²	55.1	59%	0.591	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.1	170	-62.2	-173.5	175.8	-175.2	0	108.4	E90 L108	E90-K104 HydrophobicContact CG-CG 4.18Å; E90-K104 WeakPolarHBondContact OE1-CE 3.37Å; K104-L108 WeakPolarHBondContact O-CD1 3.47Å
105	T	90.7	Very high	91.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.			trans	-97.6	10.7	-168.5	68.6	0	0	0	0	113.8	I57 P89 I91 L103 N107 L108 T113	I57-T105 HydrophobicContact CD1-CG2 3.78Å; I57-T105 WeakPolarHBondContact CD1-OG1 3.44Å; I57-T105 HydrophobicContact CG1-CG2 3.69Å; I57-T105 WeakPolarHBondContact CG1-OG1 3.4Å; P89-T105 WeakPolarHBondContact CB-OG1 3.32Å; P89-T105 WeakPolarHBondContact CG-OG1 3.42Å; P89-T105 PolarHBondContact O-N 2.81Å; P89-T105 PolarHBondContact O-OG1 2.92Å; I91-T105 HydrophobicContact CD1-CG2 3.69Å; I91-T105 HydrophobicContact CG1-CG2 3.84Å; L103-T105 HydrophobicContact CB-CG2 4.45Å; T105-N107 PolarHBondContact O-N 3.16Å; T105-L108 PolarHBondContact O-N 2.86Å; T105-T113 HydrophobicContact CG2-CG2 4.11Å
106	E	89.5	Confident	91.7	Very high	72 Å²	72	58.9 Å²	58.9	34%	0.336	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.2	-174.1	-168.2	178.8	174.9	0	0	112.7	K53 P89	K53-E106 HydrophobicContact CB-CG 4.24Å; K53-E106 HydrophobicContact CD-CG 3.63Å; K53-E106 VanDerWaalsContact CD-OE1 3.3Å; K53-E106 WeakPolarHBondContact CD-OE1 3.08Å; K53-E106 HydrophobicContact CG-CG 4.5Å; K53-E106 IonicContact NZ-OE1 3.51Å; K53-E106 PolarHBondContact NZ-OE1 3.37Å; P89-E106 HydrophobicContact CG-CB 4.18Å
107	N	89.5	Confident	91.8	Very high	146 Å²	146	54.8 Å²	54.8	78%	0.781	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	13.9	179.4	-60.3	-33.7	0	0	0	112.6	T105	T105-N107 PolarHBondContact O-N 3.16Å
108	L	88.9	Confident	91.9	Very high	44 Å²	44	51.9 Å²	51.9	23%	0.23	27%	0.265	C	S	.	.			trans	-98.9	130.4	179.6	-66	176.5	0	0	0	109.9	S56 K104 T105 E112 I116	S56-L108 WeakPolarHBondContact CB-O 3.15Å; S56-L108 PolarHBondContact OG-O 2.84Å; K104-L108 WeakPolarHBondContact O-CD1 3.47Å; T105-L108 PolarHBondContact O-N 2.86Å; L108-E112 HydrophobicContact CD2-CB 4.46Å; L108-I116 HydrophobicContact CD1-CD1 4.09Å; L108-I116 HydrophobicContact CD2-CD1 4.3Å
109	S	89.5	Confident	92.1	Very high	25 Å²	25	53 Å²	53	18%	0.175	26%	0.26	C	S	.	.			trans	-65.9	157.3	165.7	66.3	0	0	0	0	110.1	R111 E112 T113	S109-R111 PolarHBondContact O-N 3.12Å; S109-E112 PolarHBondContact N-OE2 3.41Å; S109-E112 PolarHBondContact O-N 3.38Å; S109-E112 WeakPolarHBondContact OG-CB 3.37Å; S109-E112 WeakPolarHBondContact OG-CG 3.49Å; S109-E112 PolarHBondContact OG-N 2.95Å; S109-E112 PolarHBondContact OG-OE2 3.44Å; S109-E112 VanDerWaalsContact OG-OE2 3.08Å; S109-T113 PolarHBondContact O-N 2.89Å; S109-T113 PolarHBondContact O-OG1 3.01Å
110	L	89.4	Confident	92.1	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-29.3	179.4	131.6	163.6	0	0	0	111.7	I27 Q59 I63 T113 I114	I27-L110 HydrophobicContact CD1-CD1 3.64Å; I27-L110 HydrophobicContact CD1-CD2 3.14Å; I27-L110 HydrophobicContact CD1-CG 3.46Å; I27-L110 VanDerWaalsContact CD1-CG 3.46Å; I27-L110 HydrophobicContact CG1-CD2 3.18Å; I27-L110 HydrophobicContact CG1-CG 4.02Å; Q59-L110 HydrophobicContact CB-CD1 3.27Å; Q59-L110 HydrophobicContact CG-CD1 4.39Å; I63-L110 HydrophobicContact CD1-CD1 3.84Å; L110-T113 PolarHBondContact O-N 3.24Å; L110-I114 HydrophobicContact CG-CD1 4.33Å; L110-I114 WeakPolarHBondContact O-CG1 3.49Å; L110-I114 PolarHBondContact O-N 2.6Å; L110-I114 VanDerWaalsContact O-N 3.11Å
111	R	89.5	Confident	92	Very high	59 Å²	59	46.6 Å²	46.6	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-50.2	172.2	-179.3	-177.4	175.5	111.3	11.3	111	I31 S109 T113 I114 E115	I31-R111 VanDerWaalsContact CD1-CZ 3.49Å; S109-R111 PolarHBondContact O-N 3.12Å; R111-T113 VanDerWaalsContact C-N 3.31Å; R111-T113 PolarHBondContact O-N 3.22Å; R111-I114 PolarHBondContact O-N 2.96Å; R111-E115 HydrophobicContact CG-CG 4.46Å; R111-E115 IonicContact CZ-OE1 2.79Å; R111-E115 IonicContact NE-OE1 3.94Å; R111-E115 PolarHBondContact NE-OE1 3.49Å; R111-E115 IonicContact NH2-OE1 2.79Å; R111-E115 PolarHBondContact NH2-OE1 2.83Å; R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 3.19Å
112	E	89	Confident	91.8	Very high	51 Å²	51	47.6 Å²	47.6	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-40.3	-179.6	-72.6	175.5	136.2	0	0	111.8	K14 L108 S109 I114 E115 I116	K14-E112 IonicContact NZ-OE1 3.66Å; K14-E112 PolarHBondContact NZ-OE1 2.79Å; L108-E112 HydrophobicContact CD2-CB 4.46Å; S109-E112 PolarHBondContact N-OE2 3.41Å; S109-E112 PolarHBondContact O-N 3.38Å; S109-E112 WeakPolarHBondContact OG-CB 3.37Å; S109-E112 WeakPolarHBondContact OG-CG 3.49Å; S109-E112 PolarHBondContact OG-N 2.95Å; S109-E112 PolarHBondContact OG-OE2 3.44Å; S109-E112 VanDerWaalsContact OG-OE2 3.08Å; E112-I114 VanDerWaalsContact C-N 3.27Å; E112-I114 PolarHBondContact O-N 3.35Å; E112-E115 PolarHBondContact O-N 2.87Å; E112-I116 WeakPolarHBondContact O-CB 3.42Å; E112-I116 WeakPolarHBondContact O-CD1 3.3Å; E112-I116 WeakPolarHBondContact O-CG1 3.37Å; E112-I116 PolarHBondContact O-N 2.87Å
113	T	91.7	Very high	91.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-44.8	176	-52.1	0	0	0	0	110.9	I91 L103 T105 S109 L110 R111 I117	I91-T113 HydrophobicContact CD1-CG2 3.46Å; I91-T113 VanDerWaalsContact CD1-CG2 3.46Å; L103-T113 HydrophobicContact CD1-CG2 4.27Å; T105-T113 HydrophobicContact CG2-CG2 4.11Å; S109-T113 PolarHBondContact O-N 2.89Å; S109-T113 PolarHBondContact O-OG1 3.01Å; L110-T113 PolarHBondContact O-N 3.24Å; R111-T113 VanDerWaalsContact C-N 3.31Å; R111-T113 PolarHBondContact O-N 3.22Å; T113-I117 HydrophobicContact CG2-CD1 4.35Å; T113-I117 VanDerWaalsContact O-CG1 3.3Å; T113-I117 WeakPolarHBondContact O-CG1 3.3Å; T113-I117 PolarHBondContact O-N 3Å; T113-I117 VanDerWaalsContact O-N 3.15Å
114	I	92.5	Very high	91.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.4	-45.8	177.2	-71.8	165.6	0	0	0	111.7	I27 I31 L32 L35 F60 L110 R111 E112 I116 I117 I118	I27-I114 HydrophobicContact CD1-CD1 3.23Å; I27-I114 HydrophobicContact CG1-CD1 3.87Å; I27-I114 HydrophobicContact CG2-CD1 4.29Å; I31-I114 HydrophobicContact CG2-CG2 3.79Å; L32-I114 HydrophobicContact CD2-CD1 3.86Å; L35-I114 HydrophobicContact CD1-CG2 4.14Å; L35-I114 HydrophobicContact CD2-CG2 4.17Å; L35-I114 HydrophobicContact CG-CG2 4.2Å; F60-I114 HydrophobicContact CD2-CD1 3.99Å; F60-I114 HydrophobicContact CD2-CG1 3.71Å; F60-I114 HydrophobicContact CE2-CD1 4.15Å; F60-I114 HydrophobicContact CE2-CG1 3.52Å; F60-I114 HydrophobicContact CZ-CG1 4.41Å; L110-I114 HydrophobicContact CG-CD1 4.33Å; L110-I114 WeakPolarHBondContact O-CG1 3.49Å; L110-I114 PolarHBondContact O-N 2.6Å; L110-I114 VanDerWaalsContact O-N 3.11Å; R111-I114 PolarHBondContact O-N 2.96Å; E112-I114 VanDerWaalsContact C-N 3.27Å; E112-I114 PolarHBondContact O-N 3.35Å; I114-I116 VanDerWaalsContact C-N 3.3Å; I114-I116 PolarHBondContact O-N 3.49Å; I114-I117 PolarHBondContact O-N 2.81Å; I114-I118 HydrophobicContact CG2-CD1 3.61Å; I114-I118 HydrophobicContact CG2-CG1 4.3Å; I114-I118 VanDerWaalsContact O-CG1 3.31Å; I114-I118 WeakPolarHBondContact O-CG1 3.38Å; I114-I118 PolarHBondContact O-N 2.82Å
115	E	91.9	Very high	91.2	Very high	56 Å²	56	44.1 Å²	44.1	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-40.2	178.8	-74	178.3	173.1	0	0	111.6	R111 E112 I118 T119	R111-E115 HydrophobicContact CG-CG 4.46Å; R111-E115 IonicContact CZ-OE1 2.79Å; R111-E115 IonicContact NE-OE1 3.94Å; R111-E115 PolarHBondContact NE-OE1 3.49Å; R111-E115 IonicContact NH2-OE1 2.79Å; R111-E115 PolarHBondContact NH2-OE1 2.83Å; R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 3.19Å; E112-E115 PolarHBondContact O-N 2.87Å; E115-I118 PolarHBondContact O-N 3.18Å; E115-T119 WeakPolarHBondContact O-CB 3.48Å; E115-T119 VanDerWaalsContact O-CG2 3.32Å; E115-T119 WeakPolarHBondContact O-CG2 3.47Å; E115-T119 PolarHBondContact O-N 2.93Å; E115-T119 PolarHBondContact O-OG1 2.99Å
116	I	93.2	Very high	91	Very high	51 Å²	51	48.4 Å²	48.4	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-43.7	175.5	-65.5	162.2	0	0	0	110.7	L103 L108 E112 I114 T119 H120	L103-I116 HydrophobicContact CD1-CG2 4.42Å; L103-I116 HydrophobicContact CD2-CB 4.38Å; L103-I116 HydrophobicContact CD2-CG2 3.49Å; L103-I116 VanDerWaalsContact CD2-CG2 3.49Å; L108-I116 HydrophobicContact CD1-CD1 4.09Å; L108-I116 HydrophobicContact CD2-CD1 4.3Å; E112-I116 WeakPolarHBondContact O-CB 3.42Å; E112-I116 WeakPolarHBondContact O-CD1 3.3Å; E112-I116 WeakPolarHBondContact O-CG1 3.37Å; E112-I116 PolarHBondContact O-N 2.87Å; I114-I116 VanDerWaalsContact C-N 3.3Å; I114-I116 PolarHBondContact O-N 3.49Å; I116-T119 WeakPolarHBondContact CA-OG1 3.23Å; I116-T119 PolarHBondContact O-N 3.2Å; I116-T119 PolarHBondContact O-OG1 3.34Å; I116-H120 WeakPolarHBondContact O-CB 3.23Å; I116-H120 PolarHBondContact O-N 2.67Å
117	I	93.9	Very high	90.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-44.4	176.9	-67.1	166.7	0	0	0	110.9	L35 F60 L103 T113 I114 H120 T121	L35-I117 HydrophobicContact CD2-CG2 4.06Å; F60-I117 HydrophobicContact CE1-CD1 3.52Å; F60-I117 HydrophobicContact CE2-CD1 4.49Å; F60-I117 HydrophobicContact CZ-CD1 3.4Å; L103-I117 HydrophobicContact CD1-CD1 4.02Å; L103-I117 HydrophobicContact CD1-CG1 3.62Å; T113-I117 HydrophobicContact CG2-CD1 4.35Å; T113-I117 VanDerWaalsContact O-CG1 3.3Å; T113-I117 WeakPolarHBondContact O-CG1 3.3Å; T113-I117 PolarHBondContact O-N 3Å; T113-I117 VanDerWaalsContact O-N 3.15Å; I114-I117 PolarHBondContact O-N 2.81Å; I117-H120 PolarHBondContact O-N 2.96Å; I117-T121 HydrophobicContact CG2-CG2 4.06Å; I117-T121 WeakPolarHBondContact O-CB 3.38Å; I117-T121 WeakPolarHBondContact O-CG2 3.22Å; I117-T121 PolarHBondContact O-N 3.36Å; I117-T121 PolarHBondContact O-OG1 2.83Å
118	I	93.7	Very high	90.4	Very high	29 Å²	29	47.6 Å²	47.6	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-48.6	178.5	-67	164.4	0	0	0	110.7	I31 Q34 L35 I114 E115 T121 G122	I31-I118 HydrophobicContact CG2-CD1 3.97Å; Q34-I118 HydrophobicContact CB-CD1 4.01Å; Q34-I118 HydrophobicContact CB-CG2 4.34Å; L35-I118 HydrophobicContact CD2-CD1 4.27Å; L35-I118 HydrophobicContact CD2-CG1 3.65Å; L35-I118 HydrophobicContact CG-CD1 4.23Å; L35-I118 HydrophobicContact CG-CG1 4.04Å; I114-I118 HydrophobicContact CG2-CD1 3.61Å; I114-I118 HydrophobicContact CG2-CG1 4.3Å; I114-I118 VanDerWaalsContact O-CG1 3.31Å; I114-I118 WeakPolarHBondContact O-CG1 3.38Å; I114-I118 PolarHBondContact O-N 2.82Å; E115-I118 PolarHBondContact O-N 3.18Å; I118-T121 WeakPolarHBondContact CA-OG1 3.39Å; I118-T121 PolarHBondContact O-N 2.83Å; I118-T121 PolarHBondContact O-OG1 2.89Å; I118-G122 PolarHBondContact O-N 3.39Å
119	T	93.9	Very high	90.4	Very high	87 Å²	87	47.7 Å²	47.7	53%	0.534	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-46.2	179.6	51	0	0	0	0	111.7	E115 I116 G122 T123	E115-T119 WeakPolarHBondContact O-CB 3.48Å; E115-T119 VanDerWaalsContact O-CG2 3.32Å; E115-T119 WeakPolarHBondContact O-CG2 3.47Å; E115-T119 PolarHBondContact O-N 2.93Å; E115-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 WeakPolarHBondContact CA-OG1 3.23Å; I116-T119 PolarHBondContact O-N 3.2Å; I116-T119 PolarHBondContact O-OG1 3.34Å; T119-G122 PolarHBondContact O-N 3.45Å; T119-T123 WeakPolarHBondContact O-CG2 3.41Å; T119-T123 PolarHBondContact O-N 3.12Å
120	H	93.6	Very high	90.5	Very high	79 Å²	79	49 Å²	49	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-43.2	177.5	-100.7	-69.8	0	0	0	113.1	L101 I116 I117 G122 T123 I124	L101-H120 HydrophobicContact CD2-CB 3.96Å; I116-H120 WeakPolarHBondContact O-CB 3.23Å; I116-H120 PolarHBondContact O-N 2.67Å; I117-H120 PolarHBondContact O-N 2.96Å; H120-G122 VanDerWaalsContact C-N 3.26Å; H120-G122 PolarHBondContact O-N 3.2Å; H120-T123 WeakPolarHBondContact CA-OG1 3.47Å; H120-T123 PolarHBondContact O-N 2.75Å; H120-T123 VanDerWaalsContact O-N 3.17Å; H120-T123 PolarHBondContact O-OG1 2.96Å; H120-I124 WeakPolarHBondContact O-CG1 3.25Å; H120-I124 PolarHBondContact O-N 2.74Å
121	T	92.8	Very high	90.6	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-39.5	174.3	55.8	0	0	0	0	111.2	V40 Y95 I117 I118 I124 M125	V40-T121 HydrophobicContact CG2-CG2 4.21Å; Y95-T121 HydrophobicContact CE1-CG2 3.82Å; I117-T121 HydrophobicContact CG2-CG2 4.06Å; I117-T121 WeakPolarHBondContact O-CB 3.38Å; I117-T121 WeakPolarHBondContact O-CG2 3.22Å; I117-T121 PolarHBondContact O-N 3.36Å; I117-T121 PolarHBondContact O-OG1 2.83Å; I118-T121 WeakPolarHBondContact CA-OG1 3.39Å; I118-T121 PolarHBondContact O-N 2.83Å; I118-T121 PolarHBondContact O-OG1 2.89Å; T121-I124 PolarHBondContact O-N 2.86Å; T121-M125 WeakPolarHBondContact O-CG 3.26Å; T121-M125 PolarHBondContact O-N 2.92Å; T121-M125 VanDerWaalsContact O-N 3.07Å
122	G	92.1	Very high	90.6	Very high	40 Å²	40	51.1 Å²	51.1	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-41.8	174.2	0	0	0	0	0	113.2	I118 T119 H120 M125 A126	I118-G122 PolarHBondContact O-N 3.39Å; T119-G122 PolarHBondContact O-N 3.45Å; H120-G122 VanDerWaalsContact C-N 3.26Å; H120-G122 PolarHBondContact O-N 3.2Å; G122-M125 PolarHBondContact O-N 2.74Å; G122-A126 PolarHBondContact O-N 2.95Å
123	T	92.2	Very high	90.7	Very high	71 Å²	71	51.1 Å²	51.1	44%	0.436	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-40.3	175.8	57	0	0	0	0	112.6	T119 H120 M125 A126	T119-T123 WeakPolarHBondContact O-CG2 3.41Å; T119-T123 PolarHBondContact O-N 3.12Å; H120-T123 WeakPolarHBondContact CA-OG1 3.47Å; H120-T123 PolarHBondContact O-N 2.75Å; H120-T123 VanDerWaalsContact O-N 3.17Å; H120-T123 PolarHBondContact O-OG1 2.96Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 3.31Å; T123-A126 PolarHBondContact O-N 2.98Å
124	I	91.1	Very high	90.7	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-71.3	-31.5	-178.4	-67.7	166.1	0	0	0	111.6	P39 Y95 H120 T121 A126	P39-I124 HydrophobicContact CB-CG2 4.3Å; Y95-I124 HydrophobicContact CD1-CD1 3.52Å; Y95-I124 HydrophobicContact CD1-CG2 4.29Å; Y95-I124 HydrophobicContact CD2-CD1 3.44Å; Y95-I124 VanDerWaalsContact CD2-CD1 3.44Å; Y95-I124 HydrophobicContact CE1-CD1 3.46Å; Y95-I124 VanDerWaalsContact CE1-CD1 3.46Å; Y95-I124 HydrophobicContact CE2-CD1 3.4Å; Y95-I124 HydrophobicContact CG-CD1 3.51Å; Y95-I124 VanDerWaalsContact CZ-CD1 3.4Å; H120-I124 WeakPolarHBondContact O-CG1 3.25Å; H120-I124 PolarHBondContact O-N 2.74Å; T121-I124 PolarHBondContact O-N 2.86Å; I124-A126 VanDerWaalsContact C-N 3.35Å
125	M	87.2	Confident	90.5	Very high	98 Å²	98	58.9 Å²	58.9	48%	0.483	34%	0.341	S	S	.	.	H	α-helix	trans	-77.3	-19	175.8	-72.2	-174.7	65.9	0	0	114.2	N36 P39 T121 G122 T123	N36-M125 PolarHBondContact ND2-SD 3.42Å; P39-M125 HydrophobicContact CB-CG 4.49Å; P39-M125 HydrophobicContact CG-CG 3.98Å; P39-M125 HydrophobicContact CG-SD 4.43Å; T121-M125 WeakPolarHBondContact O-CG 3.26Å; T121-M125 PolarHBondContact O-N 2.92Å; T121-M125 VanDerWaalsContact O-N 3.07Å; G122-M125 PolarHBondContact O-N 2.74Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 3.31Å
126	A	85.2	Confident	90.4	Very high	90 Å²	90	59.2 Å²	59.2	74%	0.744	35%	0.347	S	S	*	.	H	α-helix	trans	-86	-13.2	-179.9	0	0	0	0	0	112.8	G122 T123 I124	G122-A126 PolarHBondContact O-N 2.95Å; T123-A126 PolarHBondContact O-N 2.98Å; I124-A126 VanDerWaalsContact C-N 3.35Å
127	E	76	Confident	90.2	Very high	152 Å²	152	59.9 Å²	59.9	71%	0.71	36%	0.355	S	S	*	.			trans	-86.8	0	171.9	-66	177.5	-175.2	0	0	111.1	R99	R99-E127 IonicContact CZ-OE1 2.86Å; R99-E127 IonicContact CZ-OE2 3.98Å; R99-E127 IonicContact NE-OE2 3.2Å; R99-E127 IonicContact NH1-OE1 3.35Å; R99-E127 PolarHBondContact NH1-OE1 2.96Å; R99-E127 IonicContact NH1-OE2 2.78Å; R99-E127 PolarHBondContact NH1-OE2 3.19Å; R99-E127 IonicContact NH2-OE1 2.67Å; R99-E127 PolarHBondContact NH2-OE1 2.97Å; R99-E127 IonicContact NH2-OE2 2.97Å; R99-E127 PolarHBondContact NH2-OE2 3.09Å

Retrieved 127 of 127 residues in 45.2 ms (Link to these results)

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