Q7KPG1_SCHMA Loading...

13 kDa tegumental antigen Sm13

AlphaFold DB , UniProt , Accession Q7KPG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 aa.

						>Q7KPG1_SCHMA|Q7KPG1
MIWKILVLFMFVELISSEPEPEPEPVPVSRNSKDVSIQTDVDLDPRFLLLDLKREIGRLKDTFNALVAKIDTIPPSSIATKYIHNGLLSSICIIFTVYYHYKKS
					

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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	53.5	Low	53.6	Low	204 Å²	204	122.1 Å²	122.1	100%	1.005	58%	0.582	S	S	*	*				0	-35.8	0	-76.2	175.2	71.5	0	0	113.1	W3 K4	M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.36Å; M1-K4 PolarHBondContact O-N 3.45Å
2	I	50.4	Low	53.9	Low	128 Å²	128	117 Å²	117	66%	0.656	56%	0.564	S	S	*	*	H	α-helix	trans	-53.4	-36.2	179.5	-68	156.8	0	0	0	114.5	K4 I5 L6	I2-K4 VanDerWaalsContact C-N 3.27Å; I2-K4 PolarHBondContact O-N 3.21Å; I2-I5 WeakPolarHBondContact O-CB 3.16Å; I2-I5 PolarHBondContact O-N 3.05Å; I2-L6 HydrophobicContact CG2-CD1 4.24Å; I2-L6 HydrophobicContact CG2-CG 4.36Å; I2-L6 PolarHBondContact O-N 3.37Å; I2-L6 VanDerWaalsContact O-N 3.13Å
3	W	50.5	Low	53.8	Low	178 Å²	178	117.5 Å²	117.5	67%	0.674	57%	0.565	S	S	*	*	H	α-helix	trans	-57.1	-33.9	179.2	77	-46.2	0	0	0	114.5	M1 I5 L6 V7	M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.36Å; W3-I5 VanDerWaalsContact C-N 3.29Å; W3-I5 PolarHBondContact O-N 3.07Å; W3-L6 PolarHBondContact O-N 3.36Å; W3-V7 VanDerWaalsContact O-CG2 3.25Å; W3-V7 WeakPolarHBondContact O-CG2 3.25Å; W3-V7 PolarHBondContact O-N 3.11Å
4	K	47.4	Very low	53.6	Low	143 Å²	143	116.5 Å²	116.5	62%	0.622	56%	0.563	S	S	*	*	H	α-helix	trans	-67.7	-31.9	177.6	-68.5	-171.8	174.4	-174	0	112	M1 I2 L8	M1-K4 PolarHBondContact O-N 3.45Å; I2-K4 VanDerWaalsContact C-N 3.27Å; I2-K4 PolarHBondContact O-N 3.21Å; K4-L8 PolarHBondContact O-N 3.01Å; K4-L8 VanDerWaalsContact O-N 3.13Å
5	I	53.4	Low	53.4	Low	72 Å²	72	115.7 Å²	115.7	37%	0.369	56%	0.562	S	S	.	*	H	α-helix	trans	-73.3	-41.3	177.1	-61.5	170	0	0	0	109.7	I2 W3 V7 L8 F9 I93	I2-I5 WeakPolarHBondContact O-CB 3.16Å; I2-I5 PolarHBondContact O-N 3.05Å; W3-I5 VanDerWaalsContact C-N 3.29Å; W3-I5 PolarHBondContact O-N 3.07Å; I5-V7 VanDerWaalsContact C-N 3.34Å; I5-V7 PolarHBondContact O-N 2.97Å; I5-L8 PolarHBondContact O-N 3.37Å; I5-F9 HydrophobicContact CG2-CD2 4.14Å; I5-F9 HydrophobicContact CG2-CE2 4.36Å; I5-F9 PolarHBondContact O-N 3.12Å; I5-I93 HydrophobicContact CG2-CD1 4.05Å
6	L	52.2	Low	53.3	Low	113 Å²	113	114.6 Å²	114.6	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-61.7	-41.8	174.2	-67.5	175	0	0	0	111.9	I2 W3 L8 F9 M10	I2-L6 HydrophobicContact CG2-CD1 4.24Å; I2-L6 HydrophobicContact CG2-CG 4.36Å; I2-L6 PolarHBondContact O-N 3.37Å; I2-L6 VanDerWaalsContact O-N 3.13Å; W3-L6 PolarHBondContact O-N 3.36Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.46Å; L6-F9 PolarHBondContact O-N 2.87Å; L6-M10 WeakPolarHBondContact O-CB 3.17Å; L6-M10 PolarHBondContact O-N 2.92Å
7	V	57.8	Low	52.9	Low	69 Å²	69	113 Å²	113	42%	0.418	57%	0.572	S	S	.	*	H	α-helix	trans	-60.9	-41.8	175.2	170.2	0	0	0	0	110.8	W3 I5 M10 F11	W3-V7 VanDerWaalsContact O-CG2 3.25Å; W3-V7 WeakPolarHBondContact O-CG2 3.25Å; W3-V7 PolarHBondContact O-N 3.11Å; I5-V7 VanDerWaalsContact C-N 3.34Å; I5-V7 PolarHBondContact O-N 2.97Å; V7-M10 WeakPolarHBondContact O-CB 3.41Å; V7-M10 PolarHBondContact O-N 2.95Å; V7-F11 HydrophobicContact CG1-CD2 3.64Å; V7-F11 HydrophobicContact CG1-CE2 3.42Å; V7-F11 VanDerWaalsContact CG1-CE2 3.42Å; V7-F11 WeakPolarHBondContact O-CD2 3.43Å; V7-F11 PolarHBondContact O-N 2.85Å
8	L	55.6	Low	52.2	Low	105 Å²	105	115.2 Å²	115.2	55%	0.55	58%	0.58	S	S	.	*	H	α-helix	trans	-66.7	-40.7	178.2	-131.2	132	0	0	0	112.4	K4 I5 L6 M10 F11 V12	K4-L8 PolarHBondContact O-N 3.01Å; K4-L8 VanDerWaalsContact O-N 3.13Å; I5-L8 PolarHBondContact O-N 3.37Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.46Å; L8-M10 VanDerWaalsContact C-N 3.35Å; L8-F11 PolarHBondContact O-N 2.89Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 3.4Å
9	F	57	Low	51.7	Low	102 Å²	102	114.9 Å²	114.9	45%	0.447	59%	0.586	S	S	.	*	H	α-helix	trans	-61	-43.6	171.3	-99.8	-90.8	0	0	0	111.7	I5 L6 F11 V12 E13 I93	I5-F9 HydrophobicContact CG2-CD2 4.14Å; I5-F9 HydrophobicContact CG2-CE2 4.36Å; I5-F9 PolarHBondContact O-N 3.12Å; L6-F9 PolarHBondContact O-N 2.87Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 PolarHBondContact O-N 3.29Å; F9-V12 PolarHBondContact O-N 2.65Å; F9-E13 PolarHBondContact O-N 3.38Å; F9-I93 HydrophobicContact CE2-CD1 4.28Å; F9-I93 HydrophobicContact CE2-CG1 4.22Å; F9-I93 HydrophobicContact CE2-CG2 4.29Å
10	M	54.8	Low	51.5	Low	111 Å²	111	118.2 Å²	118.2	55%	0.547	60%	0.599	S	S	.	*	H	α-helix	trans	-61.1	-40.2	176.1	-111.4	-121.1	65.3	0	0	112.2	L6 V7 L8 L14	L6-M10 WeakPolarHBondContact O-CB 3.17Å; L6-M10 PolarHBondContact O-N 2.92Å; V7-M10 WeakPolarHBondContact O-CB 3.41Å; V7-M10 PolarHBondContact O-N 2.95Å; L8-M10 VanDerWaalsContact C-N 3.35Å; M10-L14 WeakPolarHBondContact O-CB 3.13Å; M10-L14 PolarHBondContact O-N 3.22Å
11	F	56.8	Low	51.4	Low	118 Å²	118	118.2 Å²	118.2	52%	0.518	61%	0.607	S	S	.	*	H	α-helix	trans	-68.4	-38.6	175.8	-82.9	-68.1	0	0	0	112.4	V7 L8 F9 L14 I15	V7-F11 HydrophobicContact CG1-CD2 3.64Å; V7-F11 HydrophobicContact CG1-CE2 3.42Å; V7-F11 VanDerWaalsContact CG1-CE2 3.42Å; V7-F11 WeakPolarHBondContact O-CD2 3.43Å; V7-F11 PolarHBondContact O-N 2.85Å; L8-F11 PolarHBondContact O-N 2.89Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 PolarHBondContact O-N 3.29Å; F11-L14 HydrophobicContact CD1-CD2 4.47Å; F11-L14 PolarHBondContact O-N 3.42Å; F11-I15 WeakPolarHBondContact O-CB 3.21Å; F11-I15 WeakPolarHBondContact O-CD1 3.18Å; F11-I15 WeakPolarHBondContact O-CG1 3.28Å; F11-I15 PolarHBondContact O-N 3.1Å
12	V	57.6	Low	51.2	Low	61 Å²	61	116.9 Å²	116.9	37%	0.37	60%	0.599	S	S	.	*	H	α-helix	trans	-65.6	-43.8	175.6	172.4	0	0	0	0	111	L8 F9 S16 V97	L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 3.4Å; F9-V12 PolarHBondContact O-N 2.65Å; V12-S16 WeakPolarHBondContact O-CB 3.44Å; V12-S16 PolarHBondContact O-N 3.41Å; V12-V97 HydrophobicContact CG2-CG2 4.43Å
13	E	52.7	Low	51.2	Low	124 Å²	124	116.7 Å²	116.7	58%	0.579	61%	0.606	S	S	*	*	H	α-helix	trans	-64.8	-38.7	174.1	-76.4	-174.7	173.7	0	0	111.9	F9 S16 S17	F9-E13 PolarHBondContact O-N 3.38Å; E13-S16 PolarHBondContact O-N 3.44Å; E13-S17 WeakPolarHBondContact O-CB 3.45Å; E13-S17 PolarHBondContact O-N 3.22Å; E13-S17 PolarHBondContact O-OG 3.13Å
14	L	51	Low	51.2	Low	103 Å²	103	117 Å²	117	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-64.3	-44.6	178.2	-173.6	67.7	0	0	0	111.7	M10 F11 S17 E18	M10-L14 WeakPolarHBondContact O-CB 3.13Å; M10-L14 PolarHBondContact O-N 3.22Å; F11-L14 HydrophobicContact CD1-CD2 4.47Å; F11-L14 PolarHBondContact O-N 3.42Å; L14-S17 PolarHBondContact O-N 2.84Å; L14-E18 PolarHBondContact O-N 3.48Å
15	I	50.7	Low	51.4	Low	105 Å²	105	116.2 Å²	116.2	54%	0.538	62%	0.624	S	S	.	*	H	α-helix	trans	-70.3	-36.6	177.3	-63	163.5	0	0	0	110.7	F11 S17 E18	F11-I15 WeakPolarHBondContact O-CB 3.21Å; F11-I15 WeakPolarHBondContact O-CD1 3.18Å; F11-I15 WeakPolarHBondContact O-CG1 3.28Å; F11-I15 PolarHBondContact O-N 3.1Å; I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 PolarHBondContact O-N 2.9Å; I15-E18 PolarHBondContact O-N 3.01Å
16	S	51.8	Low	51.3	Low	98 Å²	98	118.9 Å²	118.9	69%	0.685	64%	0.644	S	S	*	*	H	α-helix	trans	-75.6	-14.9	177.9	-165.4	0	0	0	0	113.6	V12 E13	V12-S16 WeakPolarHBondContact O-CB 3.44Å; V12-S16 PolarHBondContact O-N 3.41Å; E13-S16 PolarHBondContact O-N 3.44Å
17	S	45.8	Very low	51.2	Low	87 Å²	87	119.6 Å²	119.6	61%	0.608	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	0.6	176.6	-56.8	0	0	0	0	112.4	E13 L14 I15 P19	E13-S17 WeakPolarHBondContact O-CB 3.45Å; E13-S17 PolarHBondContact O-N 3.22Å; E13-S17 PolarHBondContact O-OG 3.13Å; L14-S17 PolarHBondContact O-N 2.84Å; I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 PolarHBondContact O-N 2.9Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å; S17-P19 VanDerWaalsContact O-N 3.09Å
18	E	41.2	Very low	50.8	Low	153 Å²	153	122.4 Å²	122.4	72%	0.715	67%	0.672	S	S	*	*	S	Bend	trans	-62.7	112.8	170.5	-164.4	170.8	122.6	0	0	107.3	L14 I15 E20	L14-E18 PolarHBondContact O-N 3.48Å; I15-E18 PolarHBondContact O-N 3.01Å; E18-E20 PolarHBondContact O-N 3.2Å
19	P	42.5	Very low	50.1	Low	109 Å²	109	122.6 Å²	122.6	71%	0.708	68%	0.682	S	S	*	*			trans	-66.4	127.7	-179.3	22.6	-22.7	0	0	0	108	S17	S17-P19 WeakPolarHBondContact O-CD 3.36Å; S17-P19 VanDerWaalsContact O-N 3.09Å
20	E	47.7	Very low	49.7	Very low	181 Å²	181	129 Å²	129	85%	0.846	70%	0.703	S	S	*	*			trans	-44.1	125.2	168.9	-135	-177.2	163	0	0	108.1	E18 E22	E18-E20 PolarHBondContact O-N 3.2Å; E20-E22 PolarHBondContact O-N 2.96Å
21	P	49.3	Very low	48.9	Very low	118 Å²	118	131.7 Å²	131.7	77%	0.766	72%	0.72	S	S	*	*			trans	-61.7	110.5	-177.7	21.8	-30.2	0	0	0	108.5
22	E	49.2	Very low	48.4	Very low	177 Å²	177	131 Å²	131	83%	0.827	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-55.1	134.5	171.4	-78.8	-166.5	143.7	0	0	108.6	E20 E24	E20-E22 PolarHBondContact O-N 2.96Å; E22-E24 PolarHBondContact O-N 3.49Å; E22-E24 VanDerWaalsContact O-N 3.11Å
23	P	49.5	Very low	47.6	Very low	124 Å²	124	137.3 Å²	137.3	81%	0.805	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-60.3	119.2	179.3	22.3	-30.5	0	0	0	109.7
24	E	52.1	Low	47.5	Very low	185 Å²	185	138.6 Å²	138.6	86%	0.864	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-52.3	129.7	-177.3	-70.4	-173.4	162.3	0	0	111.9	E22 V26	E22-E24 PolarHBondContact O-N 3.49Å; E22-E24 VanDerWaalsContact O-N 3.11Å; E24-V26 PolarHBondContact O-N 3.32Å
25	P	50	Low	47.2	Very low	126 Å²	126	139.1 Å²	139.1	82%	0.818	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71.7	123.2	172.4	28	-31.4	0	0	0	110.5
26	V	52.9	Low	46.9	Very low	128 Å²	128	139.5 Å²	139.5	78%	0.776	78%	0.782	S	S	*	*			trans	-17.8	129.9	165	-173.5	0	0	0	0	114.2	E24 V28	E24-V26 PolarHBondContact O-N 3.32Å; V26-V28 PolarHBondContact O-N 3.41Å; V26-V28 VanDerWaalsContact O-N 3.12Å
27	P	49.3	Very low	47.1	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	78%	0.783	S	S	*	*			trans	-68.8	112.8	-165.4	27.4	-34.1	0	0	0	112
28	V	49.3	Very low	46.9	Very low	128 Å²	128	145.6 Å²	145.6	78%	0.776	79%	0.793	S	S	*	*			trans	-88.5	112.9	165.9	177.5	0	0	0	0	108.1	V26 R30	V26-V28 PolarHBondContact O-N 3.41Å; V26-V28 VanDerWaalsContact O-N 3.12Å; V28-R30 PolarHBondContact O-N 3.13Å
29	S	40.9	Very low	47.3	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	80%	0.796	S	S	*	*			trans	-53.6	117.5	175.2	64.1	0	0	0	0	111.6
30	R	48	Very low	47.2	Very low	235 Å²	235	146 Å²	146	89%	0.887	80%	0.799	S	S	*	*			trans	-146.2	113.4	158	-105.3	173.2	-170.8	169.1	3	110.9	V28 S32	V28-R30 PolarHBondContact O-N 3.13Å; R30-S32 PolarHBondContact O-N 3.45Å
31	N	37.9	Very low	47.6	Very low	169 Å²	169	142.4 Å²	142.4	90%	0.904	79%	0.789	S	S	*	*			trans	-65.5	112.8	174.1	-166.7	28.8	0	0	0	110
32	S	47.1	Very low	47.7	Very low	103 Å²	103	144.2 Å²	144.2	72%	0.72	79%	0.793	S	S	*	*			trans	-158.1	119.1	158	55.8	0	0	0	0	110	R30 D34	R30-S32 PolarHBondContact O-N 3.45Å; S32-D34 PolarHBondContact O-N 3.22Å
33	K	40.5	Very low	48	Very low	194 Å²	194	141.1 Å²	141.1	84%	0.843	78%	0.781	S	S	*	*			trans	-43	126.3	162.4	-69	166	171.4	173.9	0	109.1
34	D	51.3	Low	48.4	Very low	150 Å²	150	138 Å²	138	80%	0.802	76%	0.758	S	S	*	*			trans	-169.8	125.4	144.8	-92.6	-32	0	0	0	112.3	S32	S32-D34 PolarHBondContact O-N 3.22Å
35	V	44.7	Very low	48.6	Very low	115 Å²	115	133.5 Å²	133.5	70%	0.697	75%	0.745	S	S	*	*			trans	39.7	98.8	154	-164.2	0	0	0	0	117.9	I37	V35-I37 HydrophobicContact CG1-CG1 4.03Å; V35-I37 PolarHBondContact O-N 2.93Å; V35-I37 VanDerWaalsContact O-N 3.07Å
36	S	44.8	Very low	49.2	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	74%	0.74	S	S	*	*			trans	-67.6	99.2	160	-179.9	0	0	0	0	109.4	Q38	S36-Q38 PolarHBondContact O-N 2.93Å
37	I	54.6	Low	49.6	Very low	136 Å²	136	137.2 Å²	137.2	70%	0.697	73%	0.732	S	S	*	*			trans	-80.8	98.6	161.2	-59.2	177.5	0	0	0	105.4	V35 T39	V35-I37 HydrophobicContact CG1-CG1 4.03Å; V35-I37 PolarHBondContact O-N 2.93Å; V35-I37 VanDerWaalsContact O-N 3.07Å; I37-T39 VanDerWaalsContact C-N 3.3Å; I37-T39 PolarHBondContact O-N 3.28Å
38	Q	42.8	Very low	50.1	Low	177 Å²	177	136.3 Å²	136.3	83%	0.827	72%	0.72	S	S	*	*			trans	-67.6	96.1	163.7	-80	-177.4	-20.2	0	0	107.2	S36 D40	S36-Q38 PolarHBondContact O-N 2.93Å; Q38-D40 VanDerWaalsContact C-N 3.3Å; Q38-D40 PolarHBondContact O-N 2.89Å
39	T	48.4	Very low	50.5	Low	126 Å²	126	136 Å²	136	77%	0.773	71%	0.713	S	S	*	*			trans	-73.2	96.4	164.9	-34.2	0	0	0	0	106.5	I37	I37-T39 VanDerWaalsContact C-N 3.3Å; I37-T39 PolarHBondContact O-N 3.28Å
40	D	40.9	Very low	51.7	Low	146 Å²	146	135.6 Å²	135.6	78%	0.781	70%	0.702	S	S	*	*	S	Bend	trans	-59	139.9	172.9	-152.1	-12.5	0	0	0	109.6	Q38	Q38-D40 VanDerWaalsContact C-N 3.3Å; Q38-D40 PolarHBondContact O-N 2.89Å
41	V	56	Low	52.8	Low	104 Å²	104	128.3 Å²	128.3	63%	0.63	68%	0.681	S	S	*	*			trans	78.8	73.3	-178.2	-152.6	0	0	0	0	116.5	L43	V41-L43 HydrophobicContact CG1-CB 4.46Å; V41-L43 HydrophobicContact CG1-CD1 3.75Å; V41-L43 HydrophobicContact CG1-CG 4.17Å; V41-L43 PolarHBondContact O-N 3.33Å
42	D	52.3	Low	54	Low	157 Å²	157	124 Å²	124	84%	0.84	66%	0.657	S	S	*	*			trans	-68.1	76.9	160.2	-155.6	4.3	0	0	0	109.3	D44	D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 2.95Å
43	L	54.5	Low	54.9	Low	111 Å²	111	126.5 Å²	126.5	58%	0.581	66%	0.655	S	S	*	*			trans	-70.5	89.3	171.8	-118.3	142.7	0	0	0	106.7	V41 P45 L48	V41-L43 HydrophobicContact CG1-CB 4.46Å; V41-L43 HydrophobicContact CG1-CD1 3.75Å; V41-L43 HydrophobicContact CG1-CG 4.17Å; V41-L43 PolarHBondContact O-N 3.33Å; L43-P45 WeakPolarHBondContact O-CD 3.35Å; L43-L48 HydrophobicContact CD2-CD1 4.29Å; L43-L48 HydrophobicContact CD2-CG 4.47Å
44	D	57	Low	56.4	Low	59 Å²	59	123.9 Å²	123.9	32%	0.316	64%	0.64	S	S	.	*			trans	-48.7	115.6	-178.4	175	1.8	0	0	0	108.8	D42 R46 F47	D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 2.95Å; D44-R46 PolarHBondContact O-N 3.44Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 WeakPolarHBondContact OD1-CD 3.4Å; D44-R46 WeakPolarHBondContact OD1-CG 3.17Å; D44-R46 PolarHBondContact OD1-N 3.34Å; D44-R46 VanDerWaalsContact OD1-N 3.1Å; D44-F47 HydrophobicContact CB-CD2 3.87Å; D44-F47 HydrophobicContact CB-CE2 4.19Å; D44-F47 PolarHBondContact O-N 3.24Å
45	P	57.5	Low	57.4	Low	91 Å²	91	122.7 Å²	122.7	59%	0.591	63%	0.629	S	S	*	*	H	α-helix	trans	-58.2	-17.3	-173.5	21.7	-33.2	0	0	0	112	L43 F47 L48 L49	L43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-F47 VanDerWaalsContact C-N 3.35Å; P45-F47 PolarHBondContact O-N 3.02Å; P45-L48 PolarHBondContact O-N 2.85Å; P45-L49 WeakPolarHBondContact O-CB 3.19Å; P45-L49 PolarHBondContact O-N 2.86Å
46	R	62.1	Low	58.4	Low	191 Å²	191	121.2 Å²	121.2	72%	0.721	62%	0.617	S	S	*	*	H	α-helix	trans	-61.1	-38.1	171.1	-63.7	173.1	-174.9	-123.3	-0.7	112.8	D44 L49 L50	D44-R46 PolarHBondContact O-N 3.44Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 WeakPolarHBondContact OD1-CD 3.4Å; D44-R46 WeakPolarHBondContact OD1-CG 3.17Å; D44-R46 PolarHBondContact OD1-N 3.34Å; D44-R46 VanDerWaalsContact OD1-N 3.1Å; R46-L49 PolarHBondContact O-N 2.88Å; R46-L50 VanDerWaalsContact O-CB 3.24Å; R46-L50 WeakPolarHBondContact O-CB 3.24Å; R46-L50 PolarHBondContact O-N 3.1Å
47	F	62.4	Low	59.6	Low	140 Å²	140	117.2 Å²	117.2	61%	0.614	59%	0.594	S	S	*	*	H	α-helix	trans	-66.8	-45.2	177.4	-75	-73.4	0	0	0	111.3	D44 P45 L49 L50 D51	D44-F47 HydrophobicContact CB-CD2 3.87Å; D44-F47 HydrophobicContact CB-CE2 4.19Å; D44-F47 PolarHBondContact O-N 3.24Å; P45-F47 VanDerWaalsContact C-N 3.35Å; P45-F47 PolarHBondContact O-N 3.02Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 2.9Å; F47-L50 PolarHBondContact O-N 3.39Å; F47-D51 PolarHBondContact O-N 3.47Å
48	L	58.8	Low	60.4	Low	109 Å²	109	118.3 Å²	118.3	57%	0.571	59%	0.589	S	S	*	*	H	α-helix	trans	-57.1	-45.4	173.5	-88.7	156.3	0	0	0	111.4	L43 P45 L50 L52	L43-L48 HydrophobicContact CD2-CD1 4.29Å; L43-L48 HydrophobicContact CD2-CG 4.47Å; P45-L48 PolarHBondContact O-N 2.85Å; L48-L50 VanDerWaalsContact C-N 3.35Å; L48-L50 PolarHBondContact O-N 2.93Å; L48-L52 WeakPolarHBondContact O-CB 3.45Å; L48-L52 PolarHBondContact O-N 3.41Å
49	L	58.2	Low	61.5	Low	121 Å²	121	114.6 Å²	114.6	63%	0.634	57%	0.574	S	S	*	*	H	α-helix	trans	-67.5	-34.5	179.5	-162.7	123	0	0	0	112.6	P45 R46 F47 K53	P45-L49 WeakPolarHBondContact O-CB 3.19Å; P45-L49 PolarHBondContact O-N 2.86Å; R46-L49 PolarHBondContact O-N 2.88Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 2.9Å; L49-K53 VanDerWaalsContact O-CB 3.24Å; L49-K53 WeakPolarHBondContact O-CB 3.4Å; L49-K53 PolarHBondContact O-N 2.87Å
50	L	66.6	Low	62.4	Low	102 Å²	102	115 Å²	115	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-74.1	-39.2	179.9	-151.7	145.9	0	0	0	111.6	R46 F47 L48 R54	R46-L50 VanDerWaalsContact O-CB 3.24Å; R46-L50 WeakPolarHBondContact O-CB 3.24Å; R46-L50 PolarHBondContact O-N 3.1Å; F47-L50 PolarHBondContact O-N 3.39Å; L48-L50 VanDerWaalsContact C-N 3.35Å; L48-L50 PolarHBondContact O-N 2.93Å; L50-R54 PolarHBondContact O-N 3.05Å
51	D	69.5	Low	63.9	Low	81 Å²	81	113 Å²	113	43%	0.433	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-43.3	171.2	-82.1	-22.6	0	0	0	111.3	F47 K53 R54 E55	F47-D51 PolarHBondContact O-N 3.47Å; D51-K53 VanDerWaalsContact C-N 3.33Å; D51-K53 PolarHBondContact O-N 3.22Å; D51-R54 WeakPolarHBondContact O-CB 3.21Å; D51-R54 PolarHBondContact O-N 2.91Å; D51-R54 VanDerWaalsContact O-N 3.1Å; D51-R54 IonicContact OD1-NH1 3.59Å; D51-E55 WeakPolarHBondContact O-CG 3.41Å; D51-E55 PolarHBondContact O-N 3.42Å
52	L	64.4	Low	64.5	Low	79 Å²	79	112.4 Å²	112.4	41%	0.414	55%	0.552	S	S	.	*	H	α-helix	trans	-59.4	-43.7	174.4	-170.9	72.1	0	0	0	111.3	L48 R54 E55 I56	L48-L52 WeakPolarHBondContact O-CB 3.45Å; L48-L52 PolarHBondContact O-N 3.41Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.22Å; L52-E55 PolarHBondContact O-N 3.18Å; L52-I56 HydrophobicContact CD2-CD1 4.37Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 HydrophobicContact CG-CG1 4.48Å; L52-I56 WeakPolarHBondContact O-CB 3.2Å; L52-I56 VanDerWaalsContact O-CG1 3.24Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 3.04Å
53	K	66.1	Low	65.1	Low	156 Å²	156	106.8 Å²	106.8	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-61.3	-39.4	175.8	-175.2	176.3	-178	177.6	0	111.9	L49 D51 G57	L49-K53 VanDerWaalsContact O-CB 3.24Å; L49-K53 WeakPolarHBondContact O-CB 3.4Å; L49-K53 PolarHBondContact O-N 2.87Å; D51-K53 VanDerWaalsContact C-N 3.33Å; D51-K53 PolarHBondContact O-N 3.22Å; K53-G57 PolarHBondContact O-N 3.4Å
54	R	72.7	Confident	65.7	Low	138 Å²	138	105.3 Å²	105.3	52%	0.521	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-42.7	175.7	-175.8	-173.8	-69.1	164.9	-3.1	111.2	L50 D51 L52 G57 R58	L50-R54 PolarHBondContact O-N 3.05Å; D51-R54 WeakPolarHBondContact O-CB 3.21Å; D51-R54 PolarHBondContact O-N 2.91Å; D51-R54 VanDerWaalsContact O-N 3.1Å; D51-R54 IonicContact OD1-NH1 3.59Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.22Å; R54-G57 PolarHBondContact O-N 3.22Å; R54-R58 PolarHBondContact O-N 2.83Å
55	E	70.9	Confident	66.4	Low	125 Å²	125	105.6 Å²	105.6	58%	0.584	52%	0.523	S	S	*	.	H	α-helix	trans	-66	-42.9	177.1	-72	-167.2	171.8	0	0	112.2	D51 L52 G57 R58 L59	D51-E55 WeakPolarHBondContact O-CG 3.41Å; D51-E55 PolarHBondContact O-N 3.42Å; L52-E55 PolarHBondContact O-N 3.18Å; E55-G57 VanDerWaalsContact C-N 3.27Å; E55-G57 PolarHBondContact O-N 3.38Å; E55-R58 PolarHBondContact O-N 3.23Å; E55-L59 WeakPolarHBondContact O-CB 3.24Å; E55-L59 PolarHBondContact O-N 3.29Å
56	I	66	Low	66.7	Low	84 Å²	84	103.7 Å²	103.7	43%	0.431	51%	0.508	S	S	.	.	H	α-helix	trans	-59.6	-39.9	172.8	-69.8	167.3	0	0	0	110.5	L52 L59 K60	L52-I56 HydrophobicContact CD2-CD1 4.37Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 HydrophobicContact CG-CG1 4.48Å; L52-I56 WeakPolarHBondContact O-CB 3.2Å; L52-I56 VanDerWaalsContact O-CG1 3.24Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 3.04Å; I56-L59 PolarHBondContact O-N 3.47Å; I56-K60 WeakPolarHBondContact O-CB 3.39Å; I56-K60 PolarHBondContact O-N 3.42Å
57	G	69.2	Low	66.8	Low	29 Å²	29	97 Å²	97	30%	0.299	49%	0.488	S	S	.	.	H	α-helix	trans	-58.6	-49.7	173.5	0	0	0	0	0	112.6	K53 R54 E55 L59 K60 D61	K53-G57 PolarHBondContact O-N 3.4Å; R54-G57 PolarHBondContact O-N 3.22Å; E55-G57 VanDerWaalsContact C-N 3.27Å; E55-G57 PolarHBondContact O-N 3.38Å; G57-L59 VanDerWaalsContact C-N 3.32Å; G57-L59 PolarHBondContact O-N 2.91Å; G57-K60 WeakPolarHBondContact O-CB 3.4Å; G57-K60 PolarHBondContact O-N 2.7Å; G57-D61 PolarHBondContact O-N 2.99Å
58	R	72.3	Confident	67.1	Low	159 Å²	159	92.9 Å²	92.9	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-62.9	-38.2	176.4	-70.3	177.2	176.7	168	-1.3	112.5	R54 E55 D61 T62	R54-R58 PolarHBondContact O-N 2.83Å; E55-R58 PolarHBondContact O-N 3.23Å; R58-D61 PolarHBondContact O-N 2.82Å; R58-T62 WeakPolarHBondContact O-CB 3.24Å; R58-T62 PolarHBondContact O-N 2.94Å; R58-T62 PolarHBondContact O-OG1 3.47Å
59	L	66.1	Low	67.5	Low	99 Å²	99	94.1 Å²	94.1	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-42.8	176.7	-177.3	62.5	0	0	0	110.8	E55 I56 G57 T62 F63	E55-L59 WeakPolarHBondContact O-CB 3.24Å; E55-L59 PolarHBondContact O-N 3.29Å; I56-L59 PolarHBondContact O-N 3.47Å; G57-L59 VanDerWaalsContact C-N 3.32Å; G57-L59 PolarHBondContact O-N 2.91Å; L59-T62 PolarHBondContact O-N 3.36Å; L59-F63 WeakPolarHBondContact O-CB 3.5Å; L59-F63 PolarHBondContact O-N 3.03Å
60	K	67.7	Low	67.6	Low	133 Å²	133	89.9 Å²	89.9	58%	0.578	46%	0.458	S	S	*	.	H	α-helix	trans	-59.9	-45.7	174.3	-179.7	-174.3	174.7	-174.1	0	111.6	I56 G57 T62 F63 N64	I56-K60 WeakPolarHBondContact O-CB 3.39Å; I56-K60 PolarHBondContact O-N 3.42Å; G57-K60 WeakPolarHBondContact O-CB 3.4Å; G57-K60 PolarHBondContact O-N 2.7Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.44Å; K60-F63 PolarHBondContact O-N 2.9Å; K60-N64 WeakPolarHBondContact O-CB 3.32Å; K60-N64 VanDerWaalsContact O-CG 3.27Å; K60-N64 PolarHBondContact O-N 3.27Å; K60-N64 PolarHBondContact O-ND2 3.43Å
61	D	72	Confident	67.4	Low	104 Å²	104	91.1 Å²	91.1	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-64.3	-41.2	178.7	-68.2	-23.7	0	0	0	111.7	G57 R58 F63 N64 A65	G57-D61 PolarHBondContact O-N 2.99Å; R58-D61 PolarHBondContact O-N 2.82Å; D61-F63 VanDerWaalsContact C-N 3.33Å; D61-F63 PolarHBondContact O-N 2.99Å; D61-N64 PolarHBondContact O-N 3.46Å; D61-A65 WeakPolarHBondContact O-CB 3.43Å; D61-A65 PolarHBondContact O-N 3.19Å
62	T	68.6	Low	67.4	Low	93 Å²	93	92.8 Å²	92.8	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-63.2	-41.3	175.1	-55.2	0	0	0	0	111.4	R58 L59 K60 A65 L66	R58-T62 WeakPolarHBondContact O-CB 3.24Å; R58-T62 PolarHBondContact O-N 2.94Å; R58-T62 PolarHBondContact O-OG1 3.47Å; L59-T62 PolarHBondContact O-N 3.36Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.44Å; T62-A65 PolarHBondContact O-N 2.9Å; T62-L66 WeakPolarHBondContact O-CB 3.42Å; T62-L66 PolarHBondContact O-N 3.24Å
63	F	64.4	Low	67.2	Low	38 Å²	38	90.6 Å²	90.6	17%	0.167	47%	0.467	C	S	.	.	H	α-helix	trans	-64.8	-44.8	176.5	-177	-99.5	0	0	0	111.6	L59 K60 D61 A65 L66 V67 I91 I94 F95	L59-F63 WeakPolarHBondContact O-CB 3.5Å; L59-F63 PolarHBondContact O-N 3.03Å; K60-F63 PolarHBondContact O-N 2.9Å; D61-F63 VanDerWaalsContact C-N 3.33Å; D61-F63 PolarHBondContact O-N 2.99Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 3Å; F63-L66 CarbonylContact O-C 3.6Å; F63-L66 WeakPolarHBondContact O-CA 3.41Å; F63-L66 WeakPolarHBondContact O-CB 3.34Å; F63-L66 PolarHBondContact O-N 3.26Å; F63-L66 VanDerWaalsContact O-N 3.09Å; F63-V67 HydrophobicContact CD1-CG2 3.97Å; F63-V67 HydrophobicContact CE1-CG2 3.58Å; F63-V67 HydrophobicContact CE2-CG2 4.38Å; F63-V67 HydrophobicContact CZ-CG2 3.81Å; F63-V67 WeakPolarHBondContact O-CG2 3.23Å; F63-V67 PolarHBondContact O-N 3.47Å; F63-I91 HydrophobicContact CE2-CG1 4.14Å; F63-I91 HydrophobicContact CE2-CG2 4.48Å; F63-I94 HydrophobicContact CD2-CD1 3.55Å; F63-I94 HydrophobicContact CD2-CG2 4.11Å; F63-I94 HydrophobicContact CE2-CB 4.36Å; F63-I94 HydrophobicContact CE2-CD1 3.89Å; F63-I94 HydrophobicContact CE2-CG2 3.99Å; F63-I94 HydrophobicContact CZ-CG2 4.4Å; F63-F95 HydrophobicContact CZ-CE2 4.28Å
64	N	66.3	Low	66.7	Low	80 Å²	80	86.8 Å²	86.8	43%	0.428	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-42.6	176.2	-72.3	-23.6	0	0	0	111.8	K60 D61 L66 V67 A68	K60-N64 WeakPolarHBondContact O-CB 3.32Å; K60-N64 VanDerWaalsContact O-CG 3.27Å; K60-N64 PolarHBondContact O-N 3.27Å; K60-N64 PolarHBondContact O-ND2 3.43Å; D61-N64 PolarHBondContact O-N 3.46Å; N64-L66 VanDerWaalsContact C-N 3.27Å; N64-L66 PolarHBondContact O-N 2.91Å; N64-V67 PolarHBondContact O-N 2.96Å; N64-A68 WeakPolarHBondContact O-CB 3.32Å; N64-A68 PolarHBondContact O-N 2.93Å
65	A	72.2	Confident	65.9	Low	66 Å²	66	85.7 Å²	85.7	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-62.1	-36.9	174.5	0	0	0	0	0	111.9	D61 T62 F63 K69	D61-A65 WeakPolarHBondContact O-CB 3.43Å; D61-A65 PolarHBondContact O-N 3.19Å; T62-A65 PolarHBondContact O-N 2.9Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 3Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.38Å
66	L	64.5	Low	65	Low	51 Å²	51	84.7 Å²	84.7	27%	0.267	48%	0.476	S	S	.	.	H	α-helix	trans	-68.9	-45.3	176.2	-175.8	67.9	0	0	0	112	T62 F63 N64 K69 I70 L87	T62-L66 WeakPolarHBondContact O-CB 3.42Å; T62-L66 PolarHBondContact O-N 3.24Å; F63-L66 CarbonylContact O-C 3.6Å; F63-L66 WeakPolarHBondContact O-CA 3.41Å; F63-L66 WeakPolarHBondContact O-CB 3.34Å; F63-L66 PolarHBondContact O-N 3.26Å; F63-L66 VanDerWaalsContact O-N 3.09Å; N64-L66 VanDerWaalsContact C-N 3.27Å; N64-L66 PolarHBondContact O-N 2.91Å; L66-K69 WeakPolarHBondContact O-CB 3.44Å; L66-K69 PolarHBondContact O-N 3.44Å; L66-K69 VanDerWaalsContact O-N 3.17Å; L66-I70 HydrophobicContact CG-CD1 4.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 3.45Å; L66-L87 HydrophobicContact CD1-CD1 3.96Å; L66-L87 HydrophobicContact CD1-CD2 4.38Å; L66-L87 HydrophobicContact CD2-CD1 3.99Å; L66-L87 HydrophobicContact CD2-CD2 4.13Å; L66-L87 HydrophobicContact CD2-CG 4.15Å; L66-L87 HydrophobicContact CG-CD2 4.4Å
67	V	64.1	Low	64.4	Low	50 Å²	50	83 Å²	83	30%	0.303	47%	0.472	S	S	.	.	H	α-helix	trans	-59.7	-48.4	175.7	171.8	0	0	0	0	110.3	F63 N64 K69 I70 D71	F63-V67 HydrophobicContact CD1-CG2 3.97Å; F63-V67 HydrophobicContact CE1-CG2 3.58Å; F63-V67 HydrophobicContact CE2-CG2 4.38Å; F63-V67 HydrophobicContact CZ-CG2 3.81Å; F63-V67 WeakPolarHBondContact O-CG2 3.23Å; F63-V67 PolarHBondContact O-N 3.47Å; N64-V67 PolarHBondContact O-N 2.96Å; V67-K69 PolarHBondContact O-N 3.47Å; V67-I70 WeakPolarHBondContact O-CA 3.24Å; V67-I70 WeakPolarHBondContact O-CB 3.39Å; V67-I70 PolarHBondContact O-N 3.08Å; V67-D71 PolarHBondContact O-N 3.49Å
68	A	69.2	Low	63.4	Low	53 Å²	53	84.3 Å²	84.3	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-57.6	-38.8	175.7	0	0	0	0	0	111.9	N64 D71 T72	N64-A68 WeakPolarHBondContact O-CB 3.32Å; N64-A68 PolarHBondContact O-N 2.93Å; A68-D71 PolarHBondContact O-N 3.36Å; A68-T72 WeakPolarHBondContact O-CG2 3.41Å; A68-T72 PolarHBondContact O-N 3.41Å
69	K	66.7	Low	62.2	Low	135 Å²	135	79.6 Å²	79.6	59%	0.587	47%	0.466	S	S	*	.	H	α-helix	trans	-66.5	-36.5	175.1	-170	173.2	-176.2	174.3	0	112.3	A65 L66 V67 T72 I73	A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.38Å; L66-K69 WeakPolarHBondContact O-CB 3.44Å; L66-K69 PolarHBondContact O-N 3.44Å; L66-K69 VanDerWaalsContact O-N 3.17Å; V67-K69 PolarHBondContact O-N 3.47Å; K69-T72 PolarHBondContact O-OG1 2.8Å; K69-I73 WeakPolarHBondContact O-CG1 3.38Å
70	I	60.5	Low	61.3	Low	33 Å²	33	80.5 Å²	80.5	17%	0.169	48%	0.476	C	S	.	.	H	α-helix	trans	-67.6	-42.3	175.2	-65.1	163.5	0	0	0	110.5	L66 V67 T72 I73 I78 L87 I91	L66-I70 HydrophobicContact CG-CD1 4.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 3.45Å; V67-I70 WeakPolarHBondContact O-CA 3.24Å; V67-I70 WeakPolarHBondContact O-CB 3.39Å; V67-I70 PolarHBondContact O-N 3.08Å; I70-T72 PolarHBondContact O-N 3.35Å; I70-I73 WeakPolarHBondContact O-CB 3.42Å; I70-I73 PolarHBondContact O-N 3.48Å; I70-I78 HydrophobicContact CG2-CD1 4.5Å; I70-L87 HydrophobicContact CD1-CD2 3.7Å; I70-L87 HydrophobicContact CG1-CD2 4.33Å; I70-I91 HydrophobicContact CD1-CD1 3.89Å
71	D	62.5	Low	60.4	Low	128 Å²	128	81.2 Å²	81.2	68%	0.684	48%	0.479	S	S	*	.	H	α-helix	trans	-64	-28.5	179.8	-71.6	-21.7	0	0	0	112.6	V67 A68 I73	V67-D71 PolarHBondContact O-N 3.49Å; A68-D71 PolarHBondContact O-N 3.36Å; D71-I73 PolarHBondContact O-N 3.34Å
72	T	69.2	Low	59.3	Low	115 Å²	115	78.4 Å²	78.4	71%	0.706	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.2	172.9	61.1	0	0	0	0	114.2	A68 K69 I70	A68-T72 WeakPolarHBondContact O-CG2 3.41Å; A68-T72 PolarHBondContact O-N 3.41Å; K69-T72 PolarHBondContact O-OG1 2.8Å; I70-T72 PolarHBondContact O-N 3.35Å
73	I	59.3	Low	58.3	Low	34 Å²	34	80.8 Å²	80.8	17%	0.174	47%	0.468	C	S	.	.	S	Bend	trans	-89.6	124.2	-178.2	-62.6	170	0	0	0	108.4	K69 I70 D71 I78 Y82	K69-I73 WeakPolarHBondContact O-CG1 3.38Å; I70-I73 WeakPolarHBondContact O-CB 3.42Å; I70-I73 PolarHBondContact O-N 3.48Å; D71-I73 PolarHBondContact O-N 3.34Å; I73-I78 HydrophobicContact CB-CG1 4.1Å; I73-I78 HydrophobicContact CG2-CD1 4.5Å; I73-I78 HydrophobicContact CG2-CG1 3.63Å; I73-Y82 HydrophobicContact CD1-CE2 3.51Å; I73-Y82 WeakPolarHBondContact CD1-OH 2.99Å
74	P	57.4	Low	57.6	Low	76 Å²	76	86.4 Å²	86.4	49%	0.494	50%	0.495	S	S	.	.			trans	-60.4	140.5	176.8	23	-31.4	0	0	0	110.1	S76 S77	P74-S76 PolarHBondContact O-N 2.96Å; P74-S77 PolarHBondContact O-N 3.42Å
75	P	55.4	Low	56.8	Low	114 Å²	114	88.5 Å²	88.5	74%	0.74	51%	0.506	S	S	*	.	H	α-helix	trans	-57	-23.8	-173	18.6	-30.5	0	0	0	113.6	S77 I78	P75-S77 PolarHBondContact O-N 3.34Å; P75-I78 PolarHBondContact O-N 3.39Å
76	S	52.4	Low	55.9	Low	105 Å²	105	87.9 Å²	87.9	73%	0.734	51%	0.506	S	S	*	.	H	α-helix	trans	-66.6	-15.9	175.1	55.7	0	0	0	0	115	P74	P74-S76 PolarHBondContact O-N 2.96Å
77	S	52.4	Low	55.5	Low	49 Å²	49	87.3 Å²	87.3	34%	0.343	50%	0.503	S	S	.	.	H	α-helix	trans	-108.5	-12.4	-179.8	-156.3	0	0	0	0	113.6	P74 P75 K81	P74-S77 PolarHBondContact O-N 3.42Å; P75-S77 PolarHBondContact O-N 3.34Å; S77-K81 WeakPolarHBondContact O-CB 3.46Å; S77-K81 PolarHBondContact O-N 3.24Å
78	I	49.1	Very low	55	Low	56 Å²	56	90.7 Å²	90.7	29%	0.287	52%	0.519	S	S	.	.	H	α-helix	trans	-71.8	-40.3	-174.6	-59.5	179.3	0	0	0	111.1	I70 I73 P75 T80 Y82	I70-I78 HydrophobicContact CG2-CD1 4.5Å; I73-I78 HydrophobicContact CB-CG1 4.1Å; I73-I78 HydrophobicContact CG2-CD1 4.5Å; I73-I78 HydrophobicContact CG2-CG1 3.63Å; P75-I78 PolarHBondContact O-N 3.39Å; I78-T80 PolarHBondContact O-N 3Å; I78-Y82 HydrophobicContact CG2-CD2 4.08Å; I78-Y82 PolarHBondContact O-N 2.63Å
79	A	46.8	Very low	54.3	Low	59 Å²	59	91.4 Å²	91.4	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-38.5	-176.9	0	0	0	0	0	113	I83	A79-I83 WeakPolarHBondContact O-CB 3.33Å; A79-I83 WeakPolarHBondContact O-CD1 3.45Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å
80	T	46.8	Very low	53.9	Low	119 Å²	119	87.4 Å²	87.4	73%	0.73	51%	0.51	S	S	*	.	H	α-helix	trans	-86.5	-26.2	-175.7	-29.8	0	0	0	0	113	I78	I78-T80 PolarHBondContact O-N 3Å
81	K	48.2	Very low	54	Low	147 Å²	147	87.5 Å²	87.5	64%	0.639	51%	0.51	S	S	*	.	H	α-helix	trans	-96.2	-26.2	-172.2	-146.9	173.4	-174.4	176.9	0	114.2	S77	S77-K81 WeakPolarHBondContact O-CB 3.46Å; S77-K81 PolarHBondContact O-N 3.24Å
82	Y	49.5	Very low	53.8	Low	46 Å²	46	84.7 Å²	84.7	18%	0.18	50%	0.5	C	S	.	.	H	α-helix	trans	-105.9	-14.4	-175.1	-70.7	-78.2	0	0	0	115.1	I73 I78 H84 L87	I73-Y82 HydrophobicContact CD1-CE2 3.51Å; I73-Y82 WeakPolarHBondContact CD1-OH 2.99Å; I78-Y82 HydrophobicContact CG2-CD2 4.08Å; I78-Y82 PolarHBondContact O-N 2.63Å; Y82-H84 PolarHBondContact O-N 3.26Å; Y82-L87 HydrophobicContact CD1-CB 3.99Å; Y82-L87 HydrophobicContact CD1-CD2 3.63Å; Y82-L87 HydrophobicContact CD1-CG 4.28Å; Y82-L87 HydrophobicContact CE1-CB 4.49Å; Y82-L87 HydrophobicContact CE1-CD1 4.37Å; Y82-L87 HydrophobicContact CE1-CD2 3.62Å; Y82-L87 HydrophobicContact CE1-CG 4.36Å
83	I	47.3	Very low	53.5	Low	143 Å²	143	81 Å²	81	73%	0.733	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19	171.4	-66.7	-179.7	0	0	0	111.3	A79	A79-I83 WeakPolarHBondContact O-CB 3.33Å; A79-I83 WeakPolarHBondContact O-CD1 3.45Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å
84	H	49.4	Very low	53.7	Low	155 Å²	155	82 Å²	82	72%	0.718	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-11.4	-171.3	-128.8	-68.8	0	0	0	116.6	Y82	Y82-H84 PolarHBondContact O-N 3.26Å
85	N	50.2	Low	54	Low	124 Å²	124	84.5 Å²	84.5	66%	0.663	48%	0.484	S	S	*	.	S	Bend	trans	-150	82	-167.1	-77.6	-44	0	0	0	113.7	L87	N85-L87 PolarHBondContact O-N 2.84Å
86	G	53.4	Low	54.2	Low	53 Å²	53	82.9 Å²	82.9	55%	0.546	47%	0.472	S	S	.	.	S	Bend	trans	59.8	-13	152.1	0	0	0	0	0	119.6	S90	G86-S90 WeakPolarHBondContact O-CB 3.4Å; G86-S90 PolarHBondContact O-N 2.86Å; G86-S90 PolarHBondContact O-OG 3.36Å
87	L	55.9	Low	54.6	Low	39 Å²	39	80.8 Å²	80.8	20%	0.204	45%	0.454	C	S	.	.	H	α-helix	trans	-81	-42.6	-167.8	-154.7	108.8	0	0	0	111.1	L66 I70 Y82 N85 S89 S90 I91	L66-L87 HydrophobicContact CD1-CD1 3.96Å; L66-L87 HydrophobicContact CD1-CD2 4.38Å; L66-L87 HydrophobicContact CD2-CD1 3.99Å; L66-L87 HydrophobicContact CD2-CD2 4.13Å; L66-L87 HydrophobicContact CD2-CG 4.15Å; L66-L87 HydrophobicContact CG-CD2 4.4Å; I70-L87 HydrophobicContact CD1-CD2 3.7Å; I70-L87 HydrophobicContact CG1-CD2 4.33Å; Y82-L87 HydrophobicContact CD1-CB 3.99Å; Y82-L87 HydrophobicContact CD1-CD2 3.63Å; Y82-L87 HydrophobicContact CD1-CG 4.28Å; Y82-L87 HydrophobicContact CE1-CB 4.49Å; Y82-L87 HydrophobicContact CE1-CD1 4.37Å; Y82-L87 HydrophobicContact CE1-CD2 3.62Å; Y82-L87 HydrophobicContact CE1-CG 4.36Å; N85-L87 PolarHBondContact O-N 2.84Å; L87-S89 VanDerWaalsContact C-N 3.3Å; L87-S89 PolarHBondContact O-N 2.82Å; L87-S90 PolarHBondContact O-N 3.03Å; L87-I91 HydrophobicContact CD2-CD1 3.73Å; L87-I91 HydrophobicContact CG-CD1 4.37Å; L87-I91 WeakPolarHBondContact O-CB 3.4Å; L87-I91 VanDerWaalsContact O-CG1 3.24Å; L87-I91 WeakPolarHBondContact O-CG1 3.49Å; L87-I91 PolarHBondContact O-N 3.36Å
88	L	54.7	Low	54.8	Low	121 Å²	121	85.5 Å²	85.5	63%	0.634	47%	0.466	S	S	*	.	H	α-helix	trans	-60.9	-43.8	173.3	-156	96.1	0	0	0	110.5	S90 I91 C92	L88-S90 VanDerWaalsContact C-N 3.35Å; L88-S90 PolarHBondContact O-N 2.97Å; L88-I91 PolarHBondContact O-N 3.26Å; L88-C92 WeakPolarHBondContact O-CB 3.38Å; L88-C92 PolarHBondContact O-N 2.84Å; L88-C92 PolarHBondContact O-SG 3.29Å
89	S	54.2	Low	55.3	Low	68 Å²	68	90.3 Å²	90.3	48%	0.476	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-43.2	174.5	177.6	0	0	0	0	111.5	L87 C92 I93	L87-S89 VanDerWaalsContact C-N 3.3Å; L87-S89 PolarHBondContact O-N 2.82Å; S89-C92 PolarHBondContact O-N 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.37Å; S89-I93 WeakPolarHBondContact O-CG1 3.41Å; S89-I93 PolarHBondContact O-N 2.92Å
90	S	58.4	Low	55.9	Low	52 Å²	52	93.8 Å²	93.8	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.6	-57.1	0	0	0	0	112.2	G86 L87 L88 I93 I94	G86-S90 WeakPolarHBondContact O-CB 3.4Å; G86-S90 PolarHBondContact O-N 2.86Å; G86-S90 PolarHBondContact O-OG 3.36Å; L87-S90 PolarHBondContact O-N 3.03Å; L88-S90 VanDerWaalsContact C-N 3.35Å; L88-S90 PolarHBondContact O-N 2.97Å; S90-I93 PolarHBondContact O-N 3.44Å; S90-I94 WeakPolarHBondContact O-CD1 3.06Å; S90-I94 VanDerWaalsContact O-CG1 3.23Å; S90-I94 WeakPolarHBondContact O-CG1 3.5Å; S90-I94 PolarHBondContact O-N 2.96Å
91	I	61.3	Low	56.3	Low	35 Å²	35	96.8 Å²	96.8	18%	0.179	49%	0.486	C	S	.	.	H	α-helix	trans	-64.5	-45.4	175.6	-68.6	165.9	0	0	0	110.3	F63 I70 L87 L88 I93 I94 F95	F63-I91 HydrophobicContact CE2-CG1 4.14Å; F63-I91 HydrophobicContact CE2-CG2 4.48Å; I70-I91 HydrophobicContact CD1-CD1 3.89Å; L87-I91 HydrophobicContact CD2-CD1 3.73Å; L87-I91 HydrophobicContact CG-CD1 4.37Å; L87-I91 WeakPolarHBondContact O-CB 3.4Å; L87-I91 VanDerWaalsContact O-CG1 3.24Å; L87-I91 WeakPolarHBondContact O-CG1 3.49Å; L87-I91 PolarHBondContact O-N 3.36Å; L88-I91 PolarHBondContact O-N 3.26Å; I91-I93 VanDerWaalsContact C-N 3.35Å; I91-I93 PolarHBondContact O-N 3.49Å; I91-I94 PolarHBondContact O-N 3.41Å; I91-F95 HydrophobicContact CG2-CD2 3.75Å; I91-F95 HydrophobicContact CG2-CE2 3.9Å; I91-F95 WeakPolarHBondContact O-CD2 3.11Å; I91-F95 PolarHBondContact O-N 3.36Å
92	C	58.6	Low	56.4	Low	68 Å²	68	97.3 Å²	97.3	46%	0.459	49%	0.489	S	S	.	.	H	α-helix	trans	-58.5	-45.4	175.7	-71.8	0	0	0	0	111.7	L88 S89 I94 F95 T96	L88-C92 WeakPolarHBondContact O-CB 3.38Å; L88-C92 PolarHBondContact O-N 2.84Å; L88-C92 PolarHBondContact O-SG 3.29Å; S89-C92 PolarHBondContact O-N 3.45Å; C92-I94 PolarHBondContact O-N 3.09Å; C92-F95 PolarHBondContact O-N 2.84Å; C92-T96 PolarHBondContact O-N 2.93Å; C92-T96 PolarHBondContact O-OG1 3.17Å
93	I	62.8	Low	56.4	Low	38 Å²	38	103.2 Å²	103.2	20%	0.195	52%	0.516	C	S	.	.	H	α-helix	trans	-61.3	-44.6	177.2	-66.9	162	0	0	0	110.6	I5 F9 S89 S90 I91 F95 T96 V97	I5-I93 HydrophobicContact CG2-CD1 4.05Å; F9-I93 HydrophobicContact CE2-CD1 4.28Å; F9-I93 HydrophobicContact CE2-CG1 4.22Å; F9-I93 HydrophobicContact CE2-CG2 4.29Å; S89-I93 WeakPolarHBondContact O-CD1 3.37Å; S89-I93 WeakPolarHBondContact O-CG1 3.41Å; S89-I93 PolarHBondContact O-N 2.92Å; S90-I93 PolarHBondContact O-N 3.44Å; I91-I93 VanDerWaalsContact C-N 3.35Å; I91-I93 PolarHBondContact O-N 3.49Å; I93-F95 VanDerWaalsContact C-N 3.35Å; I93-F95 PolarHBondContact O-N 2.87Å; I93-T96 PolarHBondContact O-N 3.43Å; I93-V97 HydrophobicContact CG2-CG2 4.41Å; I93-V97 VanDerWaalsContact O-CG2 3.32Å; I93-V97 WeakPolarHBondContact O-CG2 3.45Å; I93-V97 PolarHBondContact O-N 2.74Å
94	I	63.8	Low	56.4	Low	56 Å²	56	104 Å²	104	29%	0.287	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-43.1	177.5	-69	166.5	0	0	0	111.2	F63 S90 I91 C92 V97 Y98	F63-I94 HydrophobicContact CD2-CD1 3.55Å; F63-I94 HydrophobicContact CD2-CG2 4.11Å; F63-I94 HydrophobicContact CE2-CB 4.36Å; F63-I94 HydrophobicContact CE2-CD1 3.89Å; F63-I94 HydrophobicContact CE2-CG2 3.99Å; F63-I94 HydrophobicContact CZ-CG2 4.4Å; S90-I94 WeakPolarHBondContact O-CD1 3.06Å; S90-I94 VanDerWaalsContact O-CG1 3.23Å; S90-I94 WeakPolarHBondContact O-CG1 3.5Å; S90-I94 PolarHBondContact O-N 2.96Å; I91-I94 PolarHBondContact O-N 3.41Å; C92-I94 PolarHBondContact O-N 3.09Å; I94-V97 PolarHBondContact O-N 3.43Å; I94-Y98 WeakPolarHBondContact O-CB 3.36Å; I94-Y98 PolarHBondContact O-N 2.91Å
95	F	63	Low	56.7	Low	127 Å²	127	101.5 Å²	101.5	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-63.8	-41.4	176	-95.1	-81.2	0	0	0	112.4	F63 I91 C92 I93 Y98 Y99	F63-F95 HydrophobicContact CZ-CE2 4.28Å; I91-F95 HydrophobicContact CG2-CD2 3.75Å; I91-F95 HydrophobicContact CG2-CE2 3.9Å; I91-F95 WeakPolarHBondContact O-CD2 3.11Å; I91-F95 PolarHBondContact O-N 3.36Å; C92-F95 PolarHBondContact O-N 2.84Å; I93-F95 VanDerWaalsContact C-N 3.35Å; I93-F95 PolarHBondContact O-N 2.87Å; F95-Y98 PolarHBondContact O-N 3.38Å; F95-Y99 WeakPolarHBondContact O-CB 3.47Å; F95-Y99 PolarHBondContact O-N 3.43Å
96	T	60.2	Low	57	Low	80 Å²	80	100.3 Å²	100.3	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176.2	-59.8	0	0	0	0	111.1	C92 I93 Y99 H100	C92-T96 PolarHBondContact O-N 2.93Å; C92-T96 PolarHBondContact O-OG1 3.17Å; I93-T96 PolarHBondContact O-N 3.43Å; T96-Y99 PolarHBondContact O-N 3.21Å; T96-H100 PolarHBondContact O-CD2 3.36Å; T96-H100 PolarHBondContact O-N 2.94Å
97	V	60.8	Low	57.3	Low	61 Å²	61	102.9 Å²	102.9	37%	0.37	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.2	173.2	0	0	0	0	111.1	V12 I93 I94 Y99 H100 Y101	V12-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 HydrophobicContact CG2-CG2 4.41Å; I93-V97 VanDerWaalsContact O-CG2 3.32Å; I93-V97 WeakPolarHBondContact O-CG2 3.45Å; I93-V97 PolarHBondContact O-N 2.74Å; I94-V97 PolarHBondContact O-N 3.43Å; V97-Y99 PolarHBondContact O-N 3.39Å; V97-H100 PolarHBondContact O-N 2.97Å; V97-Y101 WeakPolarHBondContact O-CB 3.41Å; V97-Y101 PolarHBondContact O-N 3.18Å
98	Y	57.3	Low	57.3	Low	148 Å²	148	106.6 Å²	106.6	58%	0.58	53%	0.534	S	S	*	.	H	α-helix	trans	-63.1	-40.9	178.3	-179.9	-101.6	0	0	0	112.5	I94 F95 Y101 K102	I94-Y98 WeakPolarHBondContact O-CB 3.36Å; I94-Y98 PolarHBondContact O-N 2.91Å; F95-Y98 PolarHBondContact O-N 3.38Å; Y98-Y101 PolarHBondContact O-N 3.48Å; Y98-K102 PolarHBondContact O-N 3.28Å; Y98-K102 VanDerWaalsContact O-N 3.08Å
99	Y	58.4	Low	57.5	Low	157 Å²	157	105.8 Å²	105.8	62%	0.616	53%	0.528	S	S	*	.	H	α-helix	trans	-69.1	-39.1	179.4	-164.6	-90.1	0	0	0	112.2	F95 T96 V97 K102 K103	F95-Y99 WeakPolarHBondContact O-CB 3.47Å; F95-Y99 PolarHBondContact O-N 3.43Å; T96-Y99 PolarHBondContact O-N 3.21Å; V97-Y99 PolarHBondContact O-N 3.39Å; Y99-K102 PolarHBondContact O-N 3.29Å; Y99-K103 HydrophobicContact CE1-CD 4.31Å; Y99-K103 PolarHBondContact O-N 2.9Å
100	H	59.6	Low	57.7	Low	132 Å²	132	108.3 Å²	108.3	61%	0.611	53%	0.531	S	S	*	.	H	α-helix	trans	-64.2	-44.8	173.2	-92.9	-85.4	0	0	0	111.8	T96 V97 K102 K103 S104	T96-H100 PolarHBondContact O-CD2 3.36Å; T96-H100 PolarHBondContact O-N 2.94Å; V97-H100 PolarHBondContact O-N 2.97Å; H100-K102 VanDerWaalsContact C-N 3.3Å; H100-K102 PolarHBondContact O-N 2.9Å; H100-K103 PolarHBondContact O-N 3.25Å; H100-S104 PolarHBondContact O-N 2.95Å
101	Y	54.7	Low	57.7	Low	182 Å²	182	112.3 Å²	112.3	71%	0.714	54%	0.543	S	S	*	.	H	α-helix	trans	-65.2	-30.1	179	-168.4	-89.4	0	0	0	113.4	V97 Y98	V97-Y101 WeakPolarHBondContact O-CB 3.41Å; V97-Y101 PolarHBondContact O-N 3.18Å; Y98-Y101 PolarHBondContact O-N 3.48Å
102	K	50.9	Low	57.4	Low	159 Å²	159	118.2 Å²	118.2	69%	0.691	57%	0.571	S	S	*	*	H	α-helix	trans	-78.6	-20.6	178.2	-166.9	-179.5	175.6	-173.4	0	113.1	Y98 Y99 H100	Y98-K102 PolarHBondContact O-N 3.28Å; Y98-K102 VanDerWaalsContact O-N 3.08Å; Y99-K102 PolarHBondContact O-N 3.29Å; H100-K102 VanDerWaalsContact C-N 3.3Å; H100-K102 PolarHBondContact O-N 2.9Å
103	K	49.9	Very low	57.3	Low	170 Å²	170	122.4 Å²	122.4	74%	0.739	58%	0.58	S	S	*	*	H	α-helix	trans	-99.7	-18.7	-173.8	-163.4	175.8	177.2	-175.1	0	113.2	Y99 H100	Y99-K103 HydrophobicContact CE1-CD 4.31Å; Y99-K103 PolarHBondContact O-N 2.9Å; H100-K103 PolarHBondContact O-N 3.25Å
104	S	46.2	Very low	56.8	Low	159 Å²	159	130.1 Å²	130.1	100%	1.112	62%	0.615	S	S	*	*			trans	-92.8	0	170.2	-156.7	0	0	0	0	111.1	H100	H100-S104 PolarHBondContact O-N 2.95Å

Retrieved 104 of 104 residues in 92.5 ms (Link to these results)

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