A0A093I6L5_STRCA Loading...

F-box only protein 48

AlphaFold DB , UniProt , Accession A0A093I6L5, Species STRCA (Struthio camelus australis), Gene n/a, Length 155 aa.

Structure Viewer

Loading PAE data...

(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	39.2	Very low	39.7	Very low	233 Å²	233	164.6 Å²	164.6	100%	1.148	81%	0.807	S	S	*	*				0	103.6	0	-69.3	164.5	95	0	0	106.4
2	Q	34.1	Very low	39.3	Very low	168 Å²	168	166.4 Å²	166.4	79%	0.785	81%	0.808	S	S	*	*				54.3	118.7	100	-75.7	-163.7	48.3	0	0	110.9
3	K	38.6	Very low	38.7	Very low	181 Å²	181	159.7 Å²	159.7	79%	0.787	80%	0.796	S	S	*	*			cis	-158.8	151.2	22.4	-57.3	-178.2	173.6	169.5	0	109.7
4	T	41.3	Very low	38.7	Very low	129 Å²	129	155.1 Å²	155.1	79%	0.791	79%	0.786	S	S	*	*			trans	-73.5	-167.3	154.9	52.1	0	0	0	0	109.6
5	P	49.8	Very low	38.4	Very low	103 Å²	103	160.3 Å²	160.3	67%	0.669	80%	0.795	S	S	*	*			cis	-131.7	-178.1	-27.9	21.6	2.2	0	0	0	111.2
6	K	37.2	Very low	38.3	Very low	207 Å²	207	162.2 Å²	162.2	90%	0.9	80%	0.801	S	S	*	*				177.8	116.1	122.3	-96.7	169.6	-176.4	-178.4	0	112.9
7	R	38.1	Very low	38.1	Very low	211 Å²	211	163.3 Å²	163.3	80%	0.796	80%	0.804	S	S	*	*			trans	-64.9	139.7	164.8	167.6	179.9	167.3	173.4	-5	110.1
8	N	33.3	Very low	38.1	Very low	144 Å²	144	160.4 Å²	160.4	77%	0.77	80%	0.799	S	S	*	*			trans	-143	123.1	142.9	-155.7	11.9	0	0	0	111.2
9	K	46.6	Very low	38.3	Very low	162 Å²	162	156.7 Å²	156.7	70%	0.704	80%	0.796	S	S	*	*			trans	-90.7	128.7	167.9	-80.9	-177.6	172.4	-174.4	0	106
10	Q	36.1	Very low	38.9	Very low	165 Å²	165	155.9 Å²	155.9	77%	0.771	80%	0.799	S	S	*	*			trans	-146.4	105.9	154.3	-146.6	157.1	-4.8	0	0	110
11	S	42.9	Very low	39.5	Very low	108 Å²	108	155.4 Å²	155.4	76%	0.755	80%	0.797	S	S	*	*			trans	-85.4	120.7	161.5	46.2	0	0	0	0	108.2
12	F	34	Very low	40.3	Very low	186 Å²	186	149.4 Å²	149.4	82%	0.816	78%	0.775	S	S	*	*			trans	-158.7	105.4	157.2	-104.2	-85.8	0	0	0	105.2
13	A	32.1	Very low	41	Very low	79 Å²	79	147.1 Å²	147.1	65%	0.653	78%	0.775	S	S	*	*				90.3	108	92.4	0	0	0	0	0	111.3
14	S	39.1	Very low	41.5	Very low	95 Å²	95	145.6 Å²	145.6	66%	0.664	78%	0.776	S	S	*	*			trans	0.2	126.3	152	54.4	0	0	0	0	117.2
15	Y	33.5	Very low	42.1	Very low	234 Å²	234	149.3 Å²	149.3	92%	0.918	78%	0.781	S	S	*	*				-145.3	116.9	115.7	-86.2	-78.5	0	0	0	107.2	E17	Y15-E17 PolarHBondContact O-N 3.12Å
16	E	37.3	Very low	42	Very low	190 Å²	190	153.5 Å²	153.5	89%	0.888	79%	0.789	S	S	*	*			trans	-62.8	114.1	169.3	-71.9	-175.7	159.3	0	0	108.1	P18	E16-P18 WeakPolarHBondContact O-CD 3.49Å
17	E	34.7	Very low	42.7	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	79%	0.785	S	S	*	*			trans	-69.6	119.5	166	-164.8	171	-166.9	0	0	106.9	Y15 A19	Y15-E17 PolarHBondContact O-N 3.12Å; E17-A19 PolarHBondContact O-N 3.2Å
18	P	38.3	Very low	43.3	Very low	112 Å²	112	153.6 Å²	153.6	73%	0.727	79%	0.789	S	S	*	*			trans	-62.7	114.1	-178.9	-18.4	29.9	0	0	0	108.6	E16 V20	E16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-V20 PolarHBondContact O-N 2.75Å
19	A	41.7	Very low	44.3	Very low	90 Å²	90	155.7 Å²	155.7	74%	0.744	79%	0.794	S	S	*	*			trans	-50.4	108.8	168.8	0	0	0	0	0	107.9	E17 L21	E17-A19 PolarHBondContact O-N 3.2Å; A19-L21 VanDerWaalsContact C-N 3.31Å; A19-L21 PolarHBondContact O-N 3.08Å
20	V	49.8	Very low	44.9	Very low	139 Å²	139	151.5 Å²	151.5	84%	0.842	79%	0.785	S	S	*	*			trans	-59	100.8	170.5	175.9	0	0	0	0	105.9	P18	P18-V20 PolarHBondContact O-N 2.75Å
21	L	51.2	Low	46.5	Very low	147 Å²	147	155.3 Å²	155.3	77%	0.77	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-52.1	134.6	171.1	-73.2	165.2	0	0	0	107.6	A19	A19-L21 VanDerWaalsContact C-N 3.31Å; A19-L21 PolarHBondContact O-N 3.08Å
22	P	55.7	Low	48.2	Very low	106 Å²	106	155.5 Å²	155.5	69%	0.688	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-55.7	143.1	173.1	-9.3	19.3	0	0	0	108.1	D24	P22-D24 PolarHBondContact O-N 3.08Å
23	P	48.8	Very low	50.7	Low	120 Å²	120	149 Å²	149	78%	0.779	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-55.6	124.5	-179	24.3	-31.9	0	0	0	107.7	K25	P23-K25 PolarHBondContact O-N 3.15Å
24	D	50.6	Low	53.6	Low	150 Å²	150	147.7 Å²	147.7	80%	0.802	74%	0.738	S	S	*	*			trans	-37.1	118.7	166.3	-80	-52.8	0	0	0	107	P22 K26	P22-D24 PolarHBondContact O-N 3.08Å; D24-K26 PolarHBondContact O-N 3.25Å
25	K	53.6	Low	56.1	Low	206 Å²	206	144.3 Å²	144.3	90%	0.896	71%	0.713	S	S	*	*			trans	-60.3	86.4	159	-68.5	-179.8	-176.2	176.3	0	103.6	P23 K27	P23-K25 PolarHBondContact O-N 3.15Å; K25-K27 PolarHBondContact O-N 3.48Å
26	K	48.3	Very low	58.7	Low	192 Å²	192	137.1 Å²	137.1	84%	0.835	70%	0.702	S	S	*	*			trans	-48.7	99.8	160.4	-87.2	-176.2	176	179.5	0	102.4	D24 R28	D24-K26 PolarHBondContact O-N 3.25Å; K26-R28 PolarHBondContact O-N 3.11Å
27	K	50.9	Low	61.4	Low	187 Å²	187	132.7 Å²	132.7	81%	0.813	69%	0.688	S	S	*	*			trans	-52	100.2	166.2	-165.2	179.9	-175.5	-171.9	0	100.4	K25 E29	K25-K27 PolarHBondContact O-N 3.48Å; K27-E29 VanDerWaalsContact C-N 3.33Å; K27-E29 PolarHBondContact O-N 2.89Å
28	R	51.8	Low	64.2	Low	233 Å²	233	127.1 Å²	127.1	88%	0.879	66%	0.664	S	S	*	*			trans	-46	118.1	164.4	-80.9	-178	177.5	-170.9	-1.1	101.2	K26 S30	K26-R28 PolarHBondContact O-N 3.11Å; R28-S30 PolarHBondContact O-N 3.17Å
29	E	53.1	Low	66.9	Low	188 Å²	188	125 Å²	125	88%	0.879	65%	0.649	S	S	*	*			trans	-50.4	99.7	167.9	-71.2	174.7	166.6	0	0	103.3	K27 R31	K27-E29 VanDerWaalsContact C-N 3.33Å; K27-E29 PolarHBondContact O-N 2.89Å; E29-R31 VanDerWaalsContact C-N 3.27Å; E29-R31 PolarHBondContact O-N 2.99Å
30	S	59.7	Low	69.2	Low	73 Å²	73	125.3 Å²	125.3	51%	0.51	64%	0.644	S	S	.	*			trans	-60.8	111.7	167.8	44.1	0	0	0	0	100.1	R28 D32	R28-S30 PolarHBondContact O-N 3.17Å; S30-D32 PolarHBondContact O-N 2.64Å; S30-D32 PolarHBondContact OG-OD1 3.28Å
31	R	69.4	Low	71.3	Confident	245 Å²	245	124.7 Å²	124.7	93%	0.925	63%	0.632	S	S	*	*			trans	-55.4	98.3	158.6	-86.1	-178.8	169.3	-179.2	-4	103.4	E29 D33	E29-R31 VanDerWaalsContact C-N 3.27Å; E29-R31 PolarHBondContact O-N 2.99Å; R31-D33 PolarHBondContact O-N 3.34Å
32	D	78.5	Confident	73.4	Confident	112 Å²	112	120.3 Å²	120.3	60%	0.599	61%	0.611	S	S	*	*			trans	-59.1	132.7	-175	-71.2	-28.7	0	0	0	106.5	S30 F34 V37	S30-D32 PolarHBondContact O-N 2.64Å; S30-D32 PolarHBondContact OG-OD1 3.28Å; D32-F34 PolarHBondContact O-N 3.29Å; D32-V37 HydrophobicContact CB-CG2 3.74Å
33	D	87.4	Confident	75.3	Confident	50 Å²	50	115.5 Å²	115.5	27%	0.267	58%	0.58	S	S	.	*			trans	-58.1	125.1	-178.7	-175.9	-10.6	0	0	0	108.4	R31 V35 A36 V37 W65	R31-D33 PolarHBondContact O-N 3.34Å; D33-V35 PolarHBondContact O-N 2.94Å; D33-V35 VanDerWaalsContact O-N 3.14Å; D33-V35 PolarHBondContact OD1-N 3.16Å; D33-A36 HydrophobicContact CB-CB 4.27Å; D33-A36 WeakPolarHBondContact O-CA 3.44Å; D33-A36 WeakPolarHBondContact O-CB 3.43Å; D33-A36 PolarHBondContact O-N 2.88Å; D33-V37 PolarHBondContact O-N 3.44Å; D33-W65 PolarHBondContact OD1-NE1 2.68Å; D33-W65 VanDerWaalsContact OD2-CD1 3.26Å; D33-W65 PolarHBondContact OD2-NE1 3.08Å
34	F	91.8	Very high	77.4	Confident	52 Å²	52	112.1 Å²	112.1	23%	0.228	55%	0.553	C	S	.	*	H	α-helix	trans	-59.9	-30	-177.8	80.4	-101.9	0	0	0	111.5	D32 A36 V37 L38 C43 I46 F47 W65	D32-F34 PolarHBondContact O-N 3.29Å; F34-A36 PolarHBondContact O-N 2.84Å; F34-V37 PolarHBondContact O-N 3.14Å; F34-V37 VanDerWaalsContact O-N 3.1Å; F34-L38 HydrophobicContact CB-CD1 4Å; F34-L38 HydrophobicContact CB-CG 4.28Å; F34-L38 HydrophobicContact CD2-CD1 3.87Å; F34-L38 HydrophobicContact CG-CD1 4.33Å; F34-L38 WeakPolarHBondContact O-CB 3.38Å; F34-L38 WeakPolarHBondContact O-CG 3.38Å; F34-L38 PolarHBondContact O-N 3.23Å; F34-C43 HydrophobicContact CE2-CB 4.23Å; F34-I46 HydrophobicContact CD2-CD1 4.03Å; F34-I46 HydrophobicContact CE2-CB 4.47Å; F34-I46 HydrophobicContact CE2-CD1 3.94Å; F34-I46 HydrophobicContact CE2-CG2 4.28Å; F34-I46 HydrophobicContact CZ-CG2 4Å; F34-F47 HydrophobicContact CE2-CE2 4.29Å; F34-F47 HydrophobicContact CE2-CZ 4.12Å; F34-F47 AromaticContact CZ-CE1 3.82Å; F34-F47 HydrophobicContact CZ-CE1 3.82Å; F34-F47 HydrophobicContact CZ-CE2 4.16Å; F34-F47 AromaticContact CZ-CZ 3.56Å; F34-F47 HydrophobicContact CZ-CZ 3.56Å; F34-W65 HydrophobicContact CD1-CH2 4.37Å; F34-W65 AromaticContact CD1-CZ2 3.72Å; F34-W65 HydrophobicContact CD1-CZ2 3.72Å; F34-W65 AromaticContact CE1-CE2 3.78Å; F34-W65 AromaticContact CE1-CH2 3.55Å; F34-W65 HydrophobicContact CE1-CH2 3.55Å; F34-W65 AromaticContact CE1-CZ2 3.19Å; F34-W65 HydrophobicContact CE1-CZ2 3.19Å; F34-W65 HydrophobicContact CE1-CZ3 4.38Å; F34-W65 HydrophobicContact CZ-CH2 4.36Å; F34-W65 HydrophobicContact CZ-CZ2 4.1Å
35	V	91.8	Very high	79.5	Confident	24 Å²	24	110.9 Å²	110.9	15%	0.145	54%	0.542	C	S	.	.	H	α-helix	trans	-65.9	-25.2	177.3	-179.7	0	0	0	0	111.4	D33 F47 S64 W65 A68	D33-V35 PolarHBondContact O-N 2.94Å; D33-V35 VanDerWaalsContact O-N 3.14Å; D33-V35 PolarHBondContact OD1-N 3.16Å; V35-F47 HydrophobicContact CG2-CE2 3.89Å; V35-F47 HydrophobicContact CG2-CZ 3.69Å; V35-S64 WeakPolarHBondContact CG1-OG 3.32Å; V35-W65 HydrophobicContact CG2-CD2 4.37Å; V35-W65 HydrophobicContact CG2-CG 4.03Å; V35-A68 HydrophobicContact CG1-CB 3.91Å
36	A	89.6	Confident	81.5	Confident	82 Å²	82	104.1 Å²	104.1	68%	0.678	52%	0.516	S	S	*	.	H	α-helix	trans	-85.6	-17.9	175.4	0	0	0	0	0	113.5	D33 F34	D33-A36 HydrophobicContact CB-CB 4.27Å; D33-A36 WeakPolarHBondContact O-CA 3.44Å; D33-A36 WeakPolarHBondContact O-CB 3.43Å; D33-A36 PolarHBondContact O-N 2.88Å; F34-A36 PolarHBondContact O-N 2.84Å
37	V	92.8	Very high	83.8	Confident	97 Å²	97	95.1 Å²	95.1	59%	0.588	48%	0.476	S	S	*	.	H	α-helix	trans	-107.3	-37.4	-173.1	-179.8	0	0	0	0	112.4	D32 D33 F34	D32-V37 HydrophobicContact CB-CG2 3.74Å; D33-V37 PolarHBondContact O-N 3.44Å; F34-V37 PolarHBondContact O-N 3.14Å; F34-V37 VanDerWaalsContact O-N 3.1Å
38	L	93.9	Very high	85.8	Confident	65 Å²	65	88.2 Å²	88.2	34%	0.34	45%	0.448	S	S	.	.	S	Bend	trans	-88.4	150.5	-175.2	-61.5	-177.9	0	0	0	111.6	F34 V42 I46	F34-L38 HydrophobicContact CB-CD1 4Å; F34-L38 HydrophobicContact CB-CG 4.28Å; F34-L38 HydrophobicContact CD2-CD1 3.87Å; F34-L38 HydrophobicContact CG-CD1 4.33Å; F34-L38 WeakPolarHBondContact O-CB 3.38Å; F34-L38 WeakPolarHBondContact O-CG 3.38Å; F34-L38 PolarHBondContact O-N 3.23Å; L38-V42 HydrophobicContact CB-CB 4.4Å; L38-V42 HydrophobicContact CB-CG1 4.49Å; L38-V42 HydrophobicContact CD1-CG1 3.96Å; L38-I46 HydrophobicContact CD1-CD1 3.71Å
39	P	94.3	Very high	87.9	Confident	66 Å²	66	84.6 Å²	84.6	43%	0.429	44%	0.442	S	S	.	.			trans	-57.3	147.2	170.5	-23.6	33.8	0	0	0	112.1	E41 V42 C43	P39-E41 WeakPolarHBondContact CB-OE2 3.37Å; P39-E41 PolarHBondContact O-N 3.17Å; P39-E41 VanDerWaalsContact O-N 3.1Å; P39-V42 HydrophobicContact CB-CG2 4.35Å; P39-V42 HydrophobicContact CG-CG2 4.35Å; P39-V42 PolarHBondContact O-N 3.29Å; P39-C43 PolarHBondContact O-N 3.03Å; P39-C43 VanDerWaalsContact O-N 3.1Å
40	P	91.6	Very high	89.9	Confident	97 Å²	97	78.2 Å²	78.2	63%	0.63	41%	0.413	S	S	*	.	H	α-helix	trans	-53.7	-33.4	-179.2	-27	35.2	0	0	0	114.2	C43 F44	P40-C43 PolarHBondContact O-N 3.21Å; P40-F44 WeakPolarHBondContact O-CB 3.46Å; P40-F44 PolarHBondContact O-N 3.38Å
41	E	93.9	Very high	91.5	Very high	126 Å²	126	78.9 Å²	78.9	59%	0.589	41%	0.411	S	S	*	.	H	α-helix	trans	-68	-37.4	179.9	-58.5	74.4	-162.7	0	0	111.8	P39 F44 Q45	P39-E41 WeakPolarHBondContact CB-OE2 3.37Å; P39-E41 PolarHBondContact O-N 3.17Å; P39-E41 VanDerWaalsContact O-N 3.1Å; E41-F44 WeakPolarHBondContact O-CB 3.48Å; E41-F44 PolarHBondContact O-N 2.66Å; E41-Q45 WeakPolarHBondContact O-CG 3.31Å; E41-Q45 PolarHBondContact O-N 3.44Å
42	V	95	Very high	92.6	Very high	55 Å²	55	68.5 Å²	68.5	33%	0.333	37%	0.373	S	S	.	.	H	α-helix	trans	-73.6	-41.9	177.1	-178.1	0	0	0	0	109.8	L38 P39 F44 Q45 I46	L38-V42 HydrophobicContact CB-CB 4.4Å; L38-V42 HydrophobicContact CB-CG1 4.49Å; L38-V42 HydrophobicContact CD1-CG1 3.96Å; P39-V42 HydrophobicContact CB-CG2 4.35Å; P39-V42 HydrophobicContact CG-CG2 4.35Å; P39-V42 PolarHBondContact O-N 3.29Å; V42-F44 VanDerWaalsContact C-N 3.27Å; V42-F44 PolarHBondContact O-N 2.92Å; V42-Q45 PolarHBondContact O-N 3.16Å; V42-I46 HydrophobicContact CG1-CD1 4.19Å; V42-I46 WeakPolarHBondContact O-CG1 3.29Å; V42-I46 PolarHBondContact O-N 3.49Å
43	C	94.5	Very high	93.2	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-57.4	-43.3	172.2	-65.7	0	0	0	0	111.4	F34 P39 P40 I46 F47	F34-C43 HydrophobicContact CE2-CB 4.23Å; P39-C43 PolarHBondContact O-N 3.03Å; P39-C43 VanDerWaalsContact O-N 3.1Å; P40-C43 PolarHBondContact O-N 3.21Å; C43-I46 PolarHBondContact O-N 3.33Å; C43-F47 HydrophobicContact CB-CE2 4.38Å; C43-F47 WeakPolarHBondContact O-CD2 3.24Å; C43-F47 PolarHBondContact O-N 3.34Å
44	F	93.7	Very high	93.6	Very high	50 Å²	50	67.4 Å²	67.4	22%	0.219	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-48.3	174.7	169.9	-96.1	0	0	0	111.8	P40 E41 V42 I46 F47 N48 N72 L75	P40-F44 WeakPolarHBondContact O-CB 3.46Å; P40-F44 PolarHBondContact O-N 3.38Å; E41-F44 WeakPolarHBondContact O-CB 3.48Å; E41-F44 PolarHBondContact O-N 2.66Å; V42-F44 VanDerWaalsContact C-N 3.27Å; V42-F44 PolarHBondContact O-N 2.92Å; F44-I46 VanDerWaalsContact C-N 3.34Å; F44-I46 PolarHBondContact O-N 3.45Å; F44-F47 PolarHBondContact O-N 2.84Å; F44-N48 WeakPolarHBondContact O-CB 3.39Å; F44-N48 PolarHBondContact O-N 3.45Å; F44-N72 WeakPolarHBondContact CD2-ND2 3.02Å; F44-L75 HydrophobicContact CD2-CD1 4.33Å; F44-L75 HydrophobicContact CD2-CD2 3.3Å; F44-L75 HydrophobicContact CD2-CG 3.5Å; F44-L75 HydrophobicContact CE2-CB 4.31Å; F44-L75 HydrophobicContact CE2-CD2 3.34Å; F44-L75 HydrophobicContact CE2-CG 3.52Å; F44-L75 HydrophobicContact CG-CD2 4.18Å; F44-L75 HydrophobicContact CZ-CD2 4.19Å
45	Q	94.8	Very high	93.8	Very high	123 Å²	123	64.9 Å²	64.9	58%	0.575	36%	0.357	S	S	*	.	H	α-helix	trans	-58.7	-46.2	177.5	-73.7	176.6	-9.7	0	0	111.5	E41 V42 F47 N48 E49	E41-Q45 WeakPolarHBondContact O-CG 3.31Å; E41-Q45 PolarHBondContact O-N 3.44Å; V42-Q45 PolarHBondContact O-N 3.16Å; Q45-F47 PolarHBondContact O-N 3.37Å; Q45-N48 PolarHBondContact O-N 2.92Å; Q45-E49 WeakPolarHBondContact O-CG 3.28Å; Q45-E49 PolarHBondContact O-N 3.42Å
46	I	95.7	Very high	93.9	Very high	65 Å²	65	65.6 Å²	65.6	33%	0.333	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-48.2	177.9	-66.3	165.1	0	0	0	111	F34 L38 V42 C43 F44 N48 E49	F34-I46 HydrophobicContact CD2-CD1 4.03Å; F34-I46 HydrophobicContact CE2-CB 4.47Å; F34-I46 HydrophobicContact CE2-CD1 3.94Å; F34-I46 HydrophobicContact CE2-CG2 4.28Å; F34-I46 HydrophobicContact CZ-CG2 4Å; L38-I46 HydrophobicContact CD1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CD1 4.19Å; V42-I46 WeakPolarHBondContact O-CG1 3.29Å; V42-I46 PolarHBondContact O-N 3.49Å; C43-I46 PolarHBondContact O-N 3.33Å; F44-I46 VanDerWaalsContact C-N 3.34Å; F44-I46 PolarHBondContact O-N 3.45Å; I46-N48 VanDerWaalsContact C-N 3.32Å; I46-N48 PolarHBondContact O-N 3Å; I46-E49 PolarHBondContact O-N 3.23Å
47	F	95.8	Very high	94.2	Very high	3 Å²	3	65.4 Å²	65.4	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-31.8	179.6	-70.2	-50.2	0	0	0	112.9	F34 V35 C43 F44 Q45 E49 L50 L55 A58 W65 A68 I69 L75	F34-F47 HydrophobicContact CE2-CE2 4.29Å; F34-F47 HydrophobicContact CE2-CZ 4.12Å; F34-F47 AromaticContact CZ-CE1 3.82Å; F34-F47 HydrophobicContact CZ-CE1 3.82Å; F34-F47 HydrophobicContact CZ-CE2 4.16Å; F34-F47 AromaticContact CZ-CZ 3.56Å; F34-F47 HydrophobicContact CZ-CZ 3.56Å; V35-F47 HydrophobicContact CG2-CE2 3.89Å; V35-F47 HydrophobicContact CG2-CZ 3.69Å; C43-F47 HydrophobicContact CB-CE2 4.38Å; C43-F47 WeakPolarHBondContact O-CD2 3.24Å; C43-F47 PolarHBondContact O-N 3.34Å; F44-F47 PolarHBondContact O-N 2.84Å; Q45-F47 PolarHBondContact O-N 3.37Å; F47-E49 VanDerWaalsContact C-N 3.26Å; F47-E49 PolarHBondContact O-N 3.3Å; F47-L50 HydrophobicContact CD1-CD1 3.94Å; F47-L50 WeakPolarHBondContact O-CB 3.41Å; F47-L50 PolarHBondContact O-N 3.22Å; F47-L55 HydrophobicContact CB-CD1 3.92Å; F47-L55 HydrophobicContact CD1-CD1 4.36Å; F47-L55 HydrophobicContact CG-CD1 4.42Å; F47-A58 HydrophobicContact CD1-CB 4.43Å; F47-A58 HydrophobicContact CE1-CB 4.17Å; F47-W65 HydrophobicContact CE1-CD2 4.16Å; F47-W65 AromaticContact CE1-CE3 3.73Å; F47-W65 HydrophobicContact CE1-CE3 3.73Å; F47-W65 HydrophobicContact CE1-CZ3 4.07Å; F47-W65 HydrophobicContact CZ-CB 4.44Å; F47-W65 AromaticContact CZ-CD2 3.95Å; F47-W65 HydrophobicContact CZ-CD2 3.95Å; F47-W65 HydrophobicContact CZ-CE3 4.01Å; F47-W65 HydrophobicContact CZ-CG 4.15Å; F47-A68 HydrophobicContact CE2-CB 3.99Å; F47-I69 HydrophobicContact CD1-CD1 3.83Å; F47-I69 HydrophobicContact CD1-CG1 3.99Å; F47-I69 HydrophobicContact CD2-CG1 3.91Å; F47-I69 HydrophobicContact CE1-CD1 3.73Å; F47-I69 HydrophobicContact CE1-CG1 4.13Å; F47-I69 HydrophobicContact CE2-CD1 4.46Å; F47-I69 HydrophobicContact CE2-CG1 4.04Å; F47-I69 HydrophobicContact CG-CD1 4.27Å; F47-I69 HydrophobicContact CG-CG1 3.89Å; F47-I69 HydrophobicContact CZ-CD1 4.05Å; F47-I69 HydrophobicContact CZ-CG1 4.14Å; F47-L75 HydrophobicContact CB-CD1 4.04Å; F47-L75 HydrophobicContact CB-CD2 4.06Å
48	N	94.1	Very high	94.3	Very high	41 Å²	41	61 Å²	61	22%	0.219	33%	0.325	C	S	.	.	H	α-helix	trans	-69	-22.8	179.6	-170.4	74.1	0	0	0	113.3	F44 Q45 I46 L50 L75 N78	F44-N48 WeakPolarHBondContact O-CB 3.39Å; F44-N48 PolarHBondContact O-N 3.45Å; Q45-N48 PolarHBondContact O-N 2.92Å; I46-N48 VanDerWaalsContact C-N 3.32Å; I46-N48 PolarHBondContact O-N 3Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L75 HydrophobicContact CB-CD2 3.78Å; N48-N78 PolarHBondContact OD1-ND2 3.21Å
49	E	95.2	Very high	94.4	Very high	158 Å²	158	58.2 Å²	58.2	74%	0.738	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.7	174.2	-64.7	-55.5	131.3	0	0	113.2	Q45 I46 F47	Q45-E49 WeakPolarHBondContact O-CG 3.28Å; Q45-E49 PolarHBondContact O-N 3.42Å; I46-E49 PolarHBondContact O-N 3.23Å; F47-E49 VanDerWaalsContact C-N 3.26Å; F47-E49 PolarHBondContact O-N 3.3Å
50	L	95	Very high	94.5	Very high	54 Å²	54	61.9 Å²	61.9	28%	0.283	32%	0.324	S	S	.	.	S	Bend	trans	-76.3	142.6	179.6	-60.8	-178.3	0	0	0	111.1	F47 N48 L55 A58 H79	F47-L50 HydrophobicContact CD1-CD1 3.94Å; F47-L50 WeakPolarHBondContact O-CB 3.41Å; F47-L50 PolarHBondContact O-N 3.22Å; N48-L50 VanDerWaalsContact C-N 3.29Å; L50-L55 HydrophobicContact CB-CB 4.24Å; L50-L55 HydrophobicContact CD1-CD1 4.39Å; L50-A58 HydrophobicContact CD1-CB 3.95Å; L50-H79 PolarHBondContact O-CE1 3.44Å
51	D	92.8	Very high	94.6	Very high	86 Å²	86	61.1 Å²	61.1	46%	0.46	32%	0.317	S	S	.	.			trans	-68	160.4	165.7	78	-55.6	0	0	0	110.4	Q53 S54 L55	D51-Q53 PolarHBondContact O-N 2.73Å; D51-Q53 VanDerWaalsContact O-N 3.08Å; D51-Q53 WeakPolarHBondContact OD2-CB 3.4Å; D51-Q53 PolarHBondContact OD2-N 3.15Å; D51-S54 PolarHBondContact O-N 3.12Å; D51-S54 WeakPolarHBondContact OD1-CB 3.25Å; D51-S54 PolarHBondContact OD1-N 2.98Å; D51-S54 PolarHBondContact OD1-OG 3.14Å; D51-L55 WeakPolarHBondContact O-CB 3.44Å; D51-L55 PolarHBondContact O-N 3.43Å
52	I	92.3	Very high	94.6	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.138	31%	0.305	C	S	.	.	H	α-helix	trans	-55	-36.4	-174.8	-63.3	165.9	0	0	0	111.6	C56 H79 V83 L105 Y109	I52-C56 WeakPolarHBondContact O-CB 3.46Å; I52-C56 PolarHBondContact O-N 3.48Å; I52-C56 PolarHBondContact O-SG 3.42Å; I52-H79 HydrophobicContact CD1-CB 4.15Å; I52-H79 HydrophobicContact CG1-CB 4Å; I52-V83 HydrophobicContact CD1-CG2 4.44Å; I52-L105 HydrophobicContact CD1-CD1 3.89Å; I52-L105 HydrophobicContact CD1-CD2 4.07Å; I52-L105 HydrophobicContact CD1-CG 4.34Å; I52-L105 HydrophobicContact CG1-CD2 4.22Å; I52-L105 HydrophobicContact CG2-CD2 4.43Å; I52-Y109 HydrophobicContact CB-CE2 4.02Å; I52-Y109 HydrophobicContact CD1-CD2 3.55Å; I52-Y109 HydrophobicContact CD1-CE2 3.57Å; I52-Y109 HydrophobicContact CG1-CE2 4.38Å; I52-Y109 HydrophobicContact CG2-CD2 4.22Å; I52-Y109 HydrophobicContact CG2-CE2 4.08Å
53	Q	92.5	Very high	94.6	Very high	93 Å²	93	64 Å²	64	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-68.5	-47.7	178.5	-174.3	62.7	56.9	0	0	111.3	D51 L55 C56 N57	D51-Q53 PolarHBondContact O-N 2.73Å; D51-Q53 VanDerWaalsContact O-N 3.08Å; D51-Q53 WeakPolarHBondContact OD2-CB 3.4Å; D51-Q53 PolarHBondContact OD2-N 3.15Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 2.89Å; Q53-C56 PolarHBondContact O-N 2.8Å; Q53-N57 PolarHBondContact NE2-OD1 3.17Å; Q53-N57 PolarHBondContact O-N 2.96Å; Q53-N57 PolarHBondContact O-ND2 2.73Å
54	S	95.8	Very high	94.5	Very high	46 Å²	46	66.3 Å²	66.3	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-36.1	176.5	-61.7	0	0	0	0	112.2	D51 N57 A58	D51-S54 PolarHBondContact O-N 3.12Å; D51-S54 WeakPolarHBondContact OD1-CB 3.25Å; D51-S54 PolarHBondContact OD1-N 2.98Å; D51-S54 PolarHBondContact OD1-OG 3.14Å; S54-N57 PolarHBondContact O-N 3.34Å; S54-A58 VanDerWaalsContact O-CB 3.27Å; S54-A58 WeakPolarHBondContact O-CB 3.49Å; S54-A58 PolarHBondContact O-N 3.05Å
55	L	94.9	Very high	94.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-44.4	175.7	-173	67.1	0	0	0	111.7	F47 L50 D51 Q53 N57 A58 A59 I69 W76	F47-L55 HydrophobicContact CB-CD1 3.92Å; F47-L55 HydrophobicContact CD1-CD1 4.36Å; F47-L55 HydrophobicContact CG-CD1 4.42Å; L50-L55 HydrophobicContact CB-CB 4.24Å; L50-L55 HydrophobicContact CD1-CD1 4.39Å; D51-L55 WeakPolarHBondContact O-CB 3.44Å; D51-L55 PolarHBondContact O-N 3.43Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 2.89Å; L55-N57 VanDerWaalsContact C-N 3.33Å; L55-N57 PolarHBondContact O-N 3.41Å; L55-A58 WeakPolarHBondContact O-CB 3.32Å; L55-A58 PolarHBondContact O-N 2.87Å; L55-A59 PolarHBondContact O-N 2.86Å; L55-I69 HydrophobicContact CD1-CD1 4Å; L55-I69 HydrophobicContact CD1-CG1 4.02Å; L55-I69 HydrophobicContact CD1-CG2 3.84Å; L55-I69 HydrophobicContact CD2-CG2 4.4Å; L55-I69 HydrophobicContact CG-CG2 3.97Å; L55-W76 HydrophobicContact CD2-CE3 4.31Å; L55-W76 HydrophobicContact CD2-CH2 4.15Å; L55-W76 HydrophobicContact CD2-CZ3 3.98Å
56	C	93.4	Very high	94.6	Very high	39 Å²	39	64 Å²	64	26%	0.264	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-42.3	173.5	-74.5	0	0	0	0	111.7	I52 Q53 A58 A59 M60	I52-C56 WeakPolarHBondContact O-CB 3.46Å; I52-C56 PolarHBondContact O-N 3.48Å; I52-C56 PolarHBondContact O-SG 3.42Å; Q53-C56 PolarHBondContact O-N 2.8Å; C56-A58 VanDerWaalsContact C-N 3.34Å; C56-A59 PolarHBondContact O-N 3.42Å; C56-M60 WeakPolarHBondContact O-CG 3.18Å; C56-M60 PolarHBondContact O-N 3Å
57	N	96.3	Very high	94.5	Very high	77 Å²	77	67 Å²	67	41%	0.412	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-42.6	175.5	-67.8	-19.3	0	0	0	111.3	Q53 S54 L55 A59 M60 T61	Q53-N57 PolarHBondContact NE2-OD1 3.17Å; Q53-N57 PolarHBondContact O-N 2.96Å; Q53-N57 PolarHBondContact O-ND2 2.73Å; S54-N57 PolarHBondContact O-N 3.34Å; L55-N57 VanDerWaalsContact C-N 3.33Å; L55-N57 PolarHBondContact O-N 3.41Å; N57-A59 VanDerWaalsContact C-N 3.34Å; N57-A59 PolarHBondContact O-N 3.4Å; N57-M60 PolarHBondContact O-N 2.67Å; N57-M60 VanDerWaalsContact O-N 3.11Å; N57-T61 WeakPolarHBondContact O-CG2 3.43Å; N57-T61 PolarHBondContact O-N 2.95Å
58	A	96.1	Very high	94.4	Very high	6 Å²	6	68.3 Å²	68.3	5%	0.05	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-41.5	175.5	0	0	0	0	0	111.6	F47 L50 S54 L55 C56 M60 T61 W65 I69	F47-A58 HydrophobicContact CD1-CB 4.43Å; F47-A58 HydrophobicContact CE1-CB 4.17Å; L50-A58 HydrophobicContact CD1-CB 3.95Å; S54-A58 VanDerWaalsContact O-CB 3.27Å; S54-A58 WeakPolarHBondContact O-CB 3.49Å; S54-A58 PolarHBondContact O-N 3.05Å; L55-A58 WeakPolarHBondContact O-CB 3.32Å; L55-A58 PolarHBondContact O-N 2.87Å; C56-A58 VanDerWaalsContact C-N 3.34Å; A58-M60 PolarHBondContact O-N 2.99Å; A58-M60 VanDerWaalsContact O-N 3.15Å; A58-T61 PolarHBondContact O-N 3.16Å; A58-T61 PolarHBondContact O-OG1 3.23Å; A58-W65 HydrophobicContact CB-CE3 3.76Å; A58-W65 HydrophobicContact CB-CZ3 3.89Å; A58-I69 HydrophobicContact CB-CD1 3.73Å
59	A	95	Very high	94.5	Very high	6 Å²	6	66.3 Å²	66.3	5%	0.05	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-17.1	176.7	0	0	0	0	0	113.7	L55 C56 N57 N66 I69	L55-A59 PolarHBondContact O-N 2.86Å; C56-A59 PolarHBondContact O-N 3.42Å; N57-A59 VanDerWaalsContact C-N 3.34Å; N57-A59 PolarHBondContact O-N 3.4Å; A59-N66 VanDerWaalsContact O-CB 3.27Å; A59-N66 WeakPolarHBondContact O-CB 3.27Å; A59-N66 PolarHBondContact O-ND2 3.48Å; A59-I69 HydrophobicContact CB-CB 4.33Å; A59-I69 HydrophobicContact CB-CD1 4Å; A59-I69 HydrophobicContact CB-CG2 4.11Å
60	M	95.8	Very high	94.3	Very high	143 Å²	143	61.6 Å²	61.6	70%	0.704	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-3	178.4	-65.5	-174.5	-67.4	0	0	113.8	C56 N57 A58	C56-M60 WeakPolarHBondContact O-CG 3.18Å; C56-M60 PolarHBondContact O-N 3Å; N57-M60 PolarHBondContact O-N 2.67Å; N57-M60 VanDerWaalsContact O-N 3.11Å; A58-M60 PolarHBondContact O-N 2.99Å; A58-M60 VanDerWaalsContact O-N 3.15Å
61	T	94.8	Very high	93.8	Very high	81 Å²	81	64.3 Å²	64.3	50%	0.497	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-48.1	-174.5	60	0	0	0	0	112.8	N57 A58 W65	N57-T61 WeakPolarHBondContact O-CG2 3.43Å; N57-T61 PolarHBondContact O-N 2.95Å; A58-T61 PolarHBondContact O-N 3.16Å; A58-T61 PolarHBondContact O-OG1 3.23Å; T61-W65 HydrophobicContact CG2-CE3 4.07Å; T61-W65 HydrophobicContact CG2-CZ3 4.18Å
62	C	93.6	Very high	93.6	Very high	49 Å²	49	62.4 Å²	62.4	33%	0.331	33%	0.33	S	S	.	.			trans	-156.1	167.7	179.8	83.5	0	0	0	0	111.4	S64 W65 N66	C62-S64 VanDerWaalsContact C-N 3.3Å; C62-S64 PolarHBondContact O-N 3.35Å; C62-S64 PolarHBondContact SG-N 3.18Å; C62-W65 PolarHBondContact O-N 3.28Å; C62-W65 PolarHBondContact SG-N 2.9Å; C62-N66 WeakPolarHBondContact O-CB 3.32Å; C62-N66 PolarHBondContact O-N 3.39Å
63	K	93.9	Very high	93.5	Very high	193 Å²	193	64.3 Å²	64.3	84%	0.839	34%	0.341	S	S	*	.	H	α-helix	trans	-63.6	-33.5	-179.8	-64.1	-176	-179	-179.7	0	113.3	H67	K63-H67 WeakPolarHBondContact O-CB 3.27Å; K63-H67 PolarHBondContact O-N 3.2Å
64	S	93.3	Very high	93.5	Very high	53 Å²	53	63 Å²	63	37%	0.371	34%	0.342	S	S	.	.	H	α-helix	trans	-68.4	-47.2	179.9	-179	0	0	0	0	111	V35 C62 H67 A68	V35-S64 WeakPolarHBondContact CG1-OG 3.32Å; C62-S64 VanDerWaalsContact C-N 3.3Å; C62-S64 PolarHBondContact O-N 3.35Å; C62-S64 PolarHBondContact SG-N 3.18Å; S64-H67 PolarHBondContact O-N 2.95Å; S64-A68 WeakPolarHBondContact O-CB 3.38Å; S64-A68 PolarHBondContact O-N 3.39Å
65	W	95.9	Very high	93.3	Very high	56 Å²	56	60.8 Å²	60.8	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-43.7	175.9	-73.2	36.6	0	0	0	111.6	D33 F34 V35 F47 A58 T61 C62 H67 A68 I69	D33-W65 PolarHBondContact OD1-NE1 2.68Å; D33-W65 VanDerWaalsContact OD2-CD1 3.26Å; D33-W65 PolarHBondContact OD2-NE1 3.08Å; F34-W65 HydrophobicContact CD1-CH2 4.37Å; F34-W65 AromaticContact CD1-CZ2 3.72Å; F34-W65 HydrophobicContact CD1-CZ2 3.72Å; F34-W65 AromaticContact CE1-CE2 3.78Å; F34-W65 AromaticContact CE1-CH2 3.55Å; F34-W65 HydrophobicContact CE1-CH2 3.55Å; F34-W65 AromaticContact CE1-CZ2 3.19Å; F34-W65 HydrophobicContact CE1-CZ2 3.19Å; F34-W65 HydrophobicContact CE1-CZ3 4.38Å; F34-W65 HydrophobicContact CZ-CH2 4.36Å; F34-W65 HydrophobicContact CZ-CZ2 4.1Å; V35-W65 HydrophobicContact CG2-CD2 4.37Å; V35-W65 HydrophobicContact CG2-CG 4.03Å; F47-W65 HydrophobicContact CE1-CD2 4.16Å; F47-W65 AromaticContact CE1-CE3 3.73Å; F47-W65 HydrophobicContact CE1-CE3 3.73Å; F47-W65 HydrophobicContact CE1-CZ3 4.07Å; F47-W65 HydrophobicContact CZ-CB 4.44Å; F47-W65 AromaticContact CZ-CD2 3.95Å; F47-W65 HydrophobicContact CZ-CD2 3.95Å; F47-W65 HydrophobicContact CZ-CE3 4.01Å; F47-W65 HydrophobicContact CZ-CG 4.15Å; A58-W65 HydrophobicContact CB-CE3 3.76Å; A58-W65 HydrophobicContact CB-CZ3 3.89Å; T61-W65 HydrophobicContact CG2-CE3 4.07Å; T61-W65 HydrophobicContact CG2-CZ3 4.18Å; C62-W65 PolarHBondContact O-N 3.28Å; C62-W65 PolarHBondContact SG-N 2.9Å; W65-H67 VanDerWaalsContact C-N 3.31Å; W65-H67 PolarHBondContact O-N 3.5Å; W65-A68 PolarHBondContact O-N 3.46Å; W65-I69 WeakPolarHBondContact O-CB 3.23Å; W65-I69 WeakPolarHBondContact O-CG1 3.48Å; W65-I69 PolarHBondContact O-N 3.33Å
66	N	95.5	Very high	93.3	Very high	69 Å²	69	61 Å²	61	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-54.1	-51	174.3	-173	-97.6	0	0	0	110.6	A59 C62 A68 I69 E70	A59-N66 VanDerWaalsContact O-CB 3.27Å; A59-N66 WeakPolarHBondContact O-CB 3.27Å; A59-N66 PolarHBondContact O-ND2 3.48Å; C62-N66 WeakPolarHBondContact O-CB 3.32Å; C62-N66 PolarHBondContact O-N 3.39Å; N66-A68 PolarHBondContact O-N 3.4Å; N66-I69 PolarHBondContact O-N 3.19Å; N66-E70 WeakPolarHBondContact O-CB 3.41Å; N66-E70 WeakPolarHBondContact O-CG 3.18Å; N66-E70 PolarHBondContact O-N 3.49Å
67	H	93.6	Very high	93.3	Very high	127 Å²	127	63.4 Å²	63.4	59%	0.588	33%	0.334	S	S	*	.	H	α-helix	trans	-61.4	-41.1	178.8	-172.4	92.1	0	0	0	112.9	K63 S64 W65 N71	K63-H67 WeakPolarHBondContact O-CB 3.27Å; K63-H67 PolarHBondContact O-N 3.2Å; S64-H67 PolarHBondContact O-N 2.95Å; W65-H67 VanDerWaalsContact C-N 3.31Å; W65-H67 PolarHBondContact O-N 3.5Å; H67-N71 PolarHBondContact CD2-ND2 2.8Å; H67-N71 PolarHBondContact CE1-ND2 3.29Å; H67-N71 PolarHBondContact ND1-ND2 3.31Å; H67-N71 PolarHBondContact NE2-ND2 3.46Å; H67-N71 VanDerWaalsContact NE2-ND2 3.17Å; H67-N71 WeakPolarHBondContact O-CB 3.39Å; H67-N71 PolarHBondContact O-N 3.38Å; H67-N71 PolarHBondContact O-ND2 3Å
68	A	93.3	Very high	93.1	Very high	30 Å²	30	62.5 Å²	62.5	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-35.9	178.9	0	0	0	0	0	113	V35 F47 S64 W65 N66 N72	V35-A68 HydrophobicContact CG1-CB 3.91Å; F47-A68 HydrophobicContact CE2-CB 3.99Å; S64-A68 WeakPolarHBondContact O-CB 3.38Å; S64-A68 PolarHBondContact O-N 3.39Å; W65-A68 PolarHBondContact O-N 3.46Å; N66-A68 PolarHBondContact O-N 3.4Å; A68-N72 WeakPolarHBondContact O-CB 3.47Å
69	I	94.7	Very high	93	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-85.1	-45.7	-178.6	-66	164.3	0	0	0	111.4	F47 L55 A58 A59 W65 N66 N72 W76	F47-I69 HydrophobicContact CD1-CD1 3.83Å; F47-I69 HydrophobicContact CD1-CG1 3.99Å; F47-I69 HydrophobicContact CD2-CG1 3.91Å; F47-I69 HydrophobicContact CE1-CD1 3.73Å; F47-I69 HydrophobicContact CE1-CG1 4.13Å; F47-I69 HydrophobicContact CE2-CD1 4.46Å; F47-I69 HydrophobicContact CE2-CG1 4.04Å; F47-I69 HydrophobicContact CG-CD1 4.27Å; F47-I69 HydrophobicContact CG-CG1 3.89Å; F47-I69 HydrophobicContact CZ-CD1 4.05Å; F47-I69 HydrophobicContact CZ-CG1 4.14Å; L55-I69 HydrophobicContact CD1-CD1 4Å; L55-I69 HydrophobicContact CD1-CG1 4.02Å; L55-I69 HydrophobicContact CD1-CG2 3.84Å; L55-I69 HydrophobicContact CD2-CG2 4.4Å; L55-I69 HydrophobicContact CG-CG2 3.97Å; A58-I69 HydrophobicContact CB-CD1 3.73Å; A59-I69 HydrophobicContact CB-CB 4.33Å; A59-I69 HydrophobicContact CB-CD1 4Å; A59-I69 HydrophobicContact CB-CG2 4.11Å; W65-I69 WeakPolarHBondContact O-CB 3.23Å; W65-I69 WeakPolarHBondContact O-CG1 3.48Å; W65-I69 PolarHBondContact O-N 3.33Å; N66-I69 PolarHBondContact O-N 3.19Å; I69-N72 PolarHBondContact O-N 3.28Å; I69-W76 HydrophobicContact CG2-CH2 4.32Å; I69-W76 HydrophobicContact CG2-CZ2 3.69Å; I69-W76 PolarHBondContact O-NE1 3.09Å; I69-W76 VanDerWaalsContact O-NE1 3.09Å
70	E	91	Very high	93	Very high	59 Å²	59	62.8 Å²	62.8	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-37.4	-173.1	-73.7	-67.6	163.1	0	0	113.1	N66 N72 K102	N66-E70 WeakPolarHBondContact O-CB 3.41Å; N66-E70 WeakPolarHBondContact O-CG 3.18Å; N66-E70 PolarHBondContact O-N 3.49Å; E70-N72 VanDerWaalsContact C-N 3.29Å; E70-N72 PolarHBondContact O-N 2.93Å; E70-K102 IonicContact OE1-NZ 2.73Å; E70-K102 PolarHBondContact OE1-NZ 3.06Å; E70-K102 WeakPolarHBondContact OE2-CE 3.31Å; E70-K102 IonicContact OE2-NZ 2.56Å; E70-K102 PolarHBondContact OE2-NZ 3.18Å
71	N	86.5	Confident	92.9	Very high	111 Å²	111	59.7 Å²	59.7	59%	0.594	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.5	-178.1	-66.5	-27.1	0	0	0	113.8	H67	H67-N71 PolarHBondContact CD2-ND2 2.8Å; H67-N71 PolarHBondContact CE1-ND2 3.29Å; H67-N71 PolarHBondContact ND1-ND2 3.31Å; H67-N71 PolarHBondContact NE2-ND2 3.46Å; H67-N71 VanDerWaalsContact NE2-ND2 3.17Å; H67-N71 WeakPolarHBondContact O-CB 3.39Å; H67-N71 PolarHBondContact O-N 3.38Å; H67-N71 PolarHBondContact O-ND2 3Å
72	N	88.4	Confident	92.7	Very high	45 Å²	45	60.6 Å²	60.6	24%	0.241	32%	0.319	C	S	.	.			trans	-103	86.2	-177.5	-163.7	-32.8	0	0	0	111.1	F44 A68 I69 E70 S74 L75 W76	F44-N72 WeakPolarHBondContact CD2-ND2 3.02Å; A68-N72 WeakPolarHBondContact O-CB 3.47Å; I69-N72 PolarHBondContact O-N 3.28Å; E70-N72 VanDerWaalsContact C-N 3.29Å; E70-N72 PolarHBondContact O-N 2.93Å; N72-S74 PolarHBondContact O-N 2.81Å; N72-S74 VanDerWaalsContact O-N 3.12Å; N72-S74 WeakPolarHBondContact OD1-CB 3.24Å; N72-S74 PolarHBondContact OD1-N 3.41Å; N72-L75 HydrophobicContact CB-CD1 3.93Å; N72-L75 HydrophobicContact CB-CG 4.11Å; N72-L75 WeakPolarHBondContact O-CB 3.23Å; N72-L75 PolarHBondContact O-N 3.36Å; N72-L75 VanDerWaalsContact O-N 3.09Å; N72-L75 PolarHBondContact OD1-N 3.4Å; N72-W76 VanDerWaalsContact O-CD1 3.26Å
73	D	89.9	Confident	92.7	Very high	68 Å²	68	58.9 Å²	58.9	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-22.4	179.3	-158.9	43.2	0	0	0	112.7	W76 K77 W101	D73-W76 PolarHBondContact O-N 2.9Å; D73-K77 PolarHBondContact O-N 2.92Å; D73-W101 WeakPolarHBondContact OD1-CB 3.24Å; D73-W101 PolarHBondContact OD1-N 3.42Å
74	S	91.2	Very high	92.8	Very high	65 Å²	65	53.9 Å²	53.9	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-70.8	-29.7	177	-59.1	0	0	0	0	113.1	N72 K77 N78	N72-S74 PolarHBondContact O-N 2.81Å; N72-S74 VanDerWaalsContact O-N 3.12Å; N72-S74 WeakPolarHBondContact OD1-CB 3.24Å; N72-S74 PolarHBondContact OD1-N 3.41Å; S74-K77 WeakPolarHBondContact O-CB 3.3Å; S74-K77 PolarHBondContact O-N 2.85Å; S74-N78 PolarHBondContact O-N 2.93Å
75	L	92.5	Very high	92.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-50.6	172.7	-74.9	173.6	0	0	0	109.5	F44 F47 N48 N72 K77 N78 H79	F44-L75 HydrophobicContact CD2-CD1 4.33Å; F44-L75 HydrophobicContact CD2-CD2 3.3Å; F44-L75 HydrophobicContact CD2-CG 3.5Å; F44-L75 HydrophobicContact CE2-CB 4.31Å; F44-L75 HydrophobicContact CE2-CD2 3.34Å; F44-L75 HydrophobicContact CE2-CG 3.52Å; F44-L75 HydrophobicContact CG-CD2 4.18Å; F44-L75 HydrophobicContact CZ-CD2 4.19Å; F47-L75 HydrophobicContact CB-CD1 4.04Å; F47-L75 HydrophobicContact CB-CD2 4.06Å; N48-L75 HydrophobicContact CB-CD2 3.78Å; N72-L75 HydrophobicContact CB-CD1 3.93Å; N72-L75 HydrophobicContact CB-CG 4.11Å; N72-L75 WeakPolarHBondContact O-CB 3.23Å; N72-L75 PolarHBondContact O-N 3.36Å; N72-L75 VanDerWaalsContact O-N 3.09Å; N72-L75 PolarHBondContact OD1-N 3.4Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 2.97Å; L75-N78 PolarHBondContact O-N 3.5Å; L75-H79 PolarHBondContact O-CD2 2.79Å; L75-H79 PolarHBondContact O-N 3.06Å
76	W	94.1	Very high	92.6	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-36.6	-179.7	-57	105.1	0	0	0	112.1	L55 I69 N72 D73 N78 H79 C80 W101 K102 L105	L55-W76 HydrophobicContact CD2-CE3 4.31Å; L55-W76 HydrophobicContact CD2-CH2 4.15Å; L55-W76 HydrophobicContact CD2-CZ3 3.98Å; I69-W76 HydrophobicContact CG2-CH2 4.32Å; I69-W76 HydrophobicContact CG2-CZ2 3.69Å; I69-W76 PolarHBondContact O-NE1 3.09Å; I69-W76 VanDerWaalsContact O-NE1 3.09Å; N72-W76 VanDerWaalsContact O-CD1 3.26Å; D73-W76 PolarHBondContact O-N 2.9Å; W76-N78 PolarHBondContact O-N 2.65Å; W76-H79 PolarHBondContact O-N 3.36Å; W76-C80 WeakPolarHBondContact O-CB 3.48Å; W76-C80 PolarHBondContact O-N 3.13Å; W76-W101 HydrophobicContact CB-CB 3.89Å; W76-K102 HydrophobicContact CB-CB 4.18Å; W76-K102 HydrophobicContact CD2-CB 3.93Å; W76-K102 HydrophobicContact CD2-CD 4.48Å; W76-K102 HydrophobicContact CD2-CG 3.83Å; W76-K102 HydrophobicContact CE3-CG 4.16Å; W76-K102 HydrophobicContact CG-CB 3.74Å; W76-K102 HydrophobicContact CG-CG 4.19Å; W76-K102 HydrophobicContact CH2-CG 4.49Å; W76-K102 HydrophobicContact CZ2-CD 4.1Å; W76-K102 HydrophobicContact CZ2-CG 4.19Å; W76-K102 HydrophobicContact CZ3-CG 4.48Å; W76-L105 HydrophobicContact CE3-CD2 3.77Å; W76-L105 HydrophobicContact CZ3-CD2 4.24Å
77	K	94.6	Very high	92.6	Very high	90 Å²	90	51 Å²	51	39%	0.391	28%	0.281	S	S	.	.	H	α-helix	trans	-55.4	-49	175.4	179.4	178.3	177	-171.8	0	112.1	D73 S74 L75 H79 C80 L81 W101	D73-K77 PolarHBondContact O-N 2.92Å; S74-K77 WeakPolarHBondContact O-CB 3.3Å; S74-K77 PolarHBondContact O-N 2.85Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 2.97Å; K77-H79 PolarHBondContact O-N 2.9Å; K77-C80 CarbonylContact O-C 3.6Å; K77-C80 WeakPolarHBondContact O-CA 3.34Å; K77-C80 VanDerWaalsContact O-CB 3.28Å; K77-C80 WeakPolarHBondContact O-CB 3.28Å; K77-C80 PolarHBondContact O-N 3.43Å; K77-C80 VanDerWaalsContact O-N 3.09Å; K77-L81 HydrophobicContact CG-CD1 4.36Å; K77-L81 HydrophobicContact CG-CG 4.47Å; K77-L81 WeakPolarHBondContact O-CG 3.47Å; K77-L81 PolarHBondContact O-N 3.35Å; K77-W101 HydrophobicContact CB-CB 4.28Å; K77-W101 HydrophobicContact CB-CD2 3.8Å; K77-W101 HydrophobicContact CB-CE3 4.43Å; K77-W101 HydrophobicContact CB-CG 3.7Å; K77-W101 HydrophobicContact CD-CZ2 4.05Å; K77-W101 HydrophobicContact CG-CD2 3.84Å; K77-W101 HydrophobicContact CG-CE3 4.3Å; K77-W101 HydrophobicContact CG-CG 4.24Å; K77-W101 HydrophobicContact CG-CH2 4.26Å; K77-W101 HydrophobicContact CG-CZ2 3.81Å; K77-W101 HydrophobicContact CG-CZ3 4.48Å
78	N	92.5	Very high	92.6	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-46.3	-177.4	-73.1	-16.7	0	0	0	111.5	N48 S74 L75 W76 C80 L81 T82	N48-N78 PolarHBondContact OD1-ND2 3.21Å; S74-N78 PolarHBondContact O-N 2.93Å; L75-N78 PolarHBondContact O-N 3.5Å; W76-N78 PolarHBondContact O-N 2.65Å; N78-C80 VanDerWaalsContact C-N 3.28Å; N78-C80 PolarHBondContact O-N 2.8Å; N78-L81 PolarHBondContact O-N 2.81Å; N78-T82 PolarHBondContact O-N 3.34Å; N78-T82 PolarHBondContact O-OG1 3.02Å
79	H	92.9	Very high	92.7	Very high	19 Å²	19	54.7 Å²	54.7	9%	0.088	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-37	174	-65.3	-57.1	0	0	0	112.7	L50 I52 L75 W76 K77 L81 T82 V83 L105	L50-H79 PolarHBondContact O-CE1 3.44Å; I52-H79 HydrophobicContact CD1-CB 4.15Å; I52-H79 HydrophobicContact CG1-CB 4Å; L75-H79 PolarHBondContact O-CD2 2.79Å; L75-H79 PolarHBondContact O-N 3.06Å; W76-H79 PolarHBondContact O-N 3.36Å; K77-H79 PolarHBondContact O-N 2.9Å; H79-L81 VanDerWaalsContact C-N 3.33Å; H79-L81 PolarHBondContact O-N 2.99Å; H79-T82 PolarHBondContact O-N 3.36Å; H79-V83 PolarHBondContact O-N 3.47Å; H79-L105 HydrophobicContact CB-CD1 4.21Å; H79-L105 HydrophobicContact CB-CD2 3.67Å
80	C	94.8	Very high	92.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-39	175.7	-131.1	0	0	0	0	112.1	W76 K77 N78 T82 V83 R84 W101	W76-C80 WeakPolarHBondContact O-CB 3.48Å; W76-C80 PolarHBondContact O-N 3.13Å; K77-C80 CarbonylContact O-C 3.6Å; K77-C80 WeakPolarHBondContact O-CA 3.34Å; K77-C80 VanDerWaalsContact O-CB 3.28Å; K77-C80 WeakPolarHBondContact O-CB 3.28Å; K77-C80 PolarHBondContact O-N 3.43Å; K77-C80 VanDerWaalsContact O-N 3.09Å; N78-C80 VanDerWaalsContact C-N 3.28Å; N78-C80 PolarHBondContact O-N 2.8Å; C80-T82 VanDerWaalsContact C-N 3.35Å; C80-V83 PolarHBondContact O-N 3.34Å; C80-R84 WeakPolarHBondContact O-CB 3.34Å; C80-R84 PolarHBondContact O-N 2.64Å; C80-W101 HydrophobicContact CB-CD2 4.48Å; C80-W101 HydrophobicContact CB-CE3 3.42Å; C80-W101 VanDerWaalsContact CB-CE3 3.42Å; C80-W101 HydrophobicContact CB-CZ3 3.81Å
81	L	93.2	Very high	92.9	Very high	78 Å²	78	52.9 Å²	52.9	41%	0.408	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-37.4	176.7	-67.7	177	0	0	0	112	K77 N78 H79 R84 A85 W101	K77-L81 HydrophobicContact CG-CD1 4.36Å; K77-L81 HydrophobicContact CG-CG 4.47Å; K77-L81 WeakPolarHBondContact O-CG 3.47Å; K77-L81 PolarHBondContact O-N 3.35Å; N78-L81 PolarHBondContact O-N 2.81Å; H79-L81 VanDerWaalsContact C-N 3.33Å; H79-L81 PolarHBondContact O-N 2.99Å; L81-R84 WeakPolarHBondContact O-CB 3.34Å; L81-R84 PolarHBondContact O-N 3.22Å; L81-A85 PolarHBondContact O-N 3.38Å; L81-W101 HydrophobicContact CD2-CH2 4.47Å
82	T	91.8	Very high	93.4	Very high	100 Å²	100	49.6 Å²	49.6	61%	0.613	26%	0.262	S	S	*	.	H	α-helix	trans	-62.7	-45.2	172.2	-55.2	0	0	0	0	111.2	N78 H79 C80 R84 A85	N78-T82 PolarHBondContact O-N 3.34Å; N78-T82 PolarHBondContact O-OG1 3.02Å; H79-T82 PolarHBondContact O-N 3.36Å; C80-T82 VanDerWaalsContact C-N 3.35Å; T82-R84 VanDerWaalsContact C-N 3.31Å; T82-R84 PolarHBondContact O-N 2.76Å; T82-A85 WeakPolarHBondContact O-CB 3.3Å; T82-A85 PolarHBondContact O-N 3.22Å
83	V	93.8	Very high	93.7	Very high	13 Å²	13	54 Å²	54	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-35.5	176.4	165.7	0	0	0	0	112.2	I52 H79 C80 A85 V86 C87 I91 L105 N108 S112	I52-V83 HydrophobicContact CD1-CG2 4.44Å; H79-V83 PolarHBondContact O-N 3.47Å; C80-V83 PolarHBondContact O-N 3.34Å; V83-A85 PolarHBondContact O-N 3.44Å; V83-V86 PolarHBondContact O-N 3.28Å; V83-C87 PolarHBondContact O-N 3.05Å; V83-I91 HydrophobicContact CG1-CD1 3.81Å; V83-I91 HydrophobicContact CG1-CG1 4.1Å; V83-L105 HydrophobicContact CB-CD1 4.21Å; V83-L105 HydrophobicContact CG2-CD1 3.64Å; V83-N108 HydrophobicContact CG1-CB 4.42Å; V83-S112 WeakPolarHBondContact CG1-OG 3.35Å
84	R	94.6	Very high	94	Very high	87 Å²	87	51 Å²	51	33%	0.328	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-26.1	178.3	-171.7	179.2	179.3	-100.9	-7.5	112.8	C80 L81 T82 V86 Q88 I91 D92	C80-R84 WeakPolarHBondContact O-CB 3.34Å; C80-R84 PolarHBondContact O-N 2.64Å; L81-R84 WeakPolarHBondContact O-CB 3.34Å; L81-R84 PolarHBondContact O-N 3.22Å; T82-R84 VanDerWaalsContact C-N 3.31Å; T82-R84 PolarHBondContact O-N 2.76Å; R84-V86 PolarHBondContact O-N 3.38Å; R84-Q88 HydrophobicContact CG-CB 4.43Å; R84-Q88 HydrophobicContact CG-CG 4.22Å; R84-Q88 VanDerWaalsContact O-CA 3.25Å; R84-Q88 WeakPolarHBondContact O-CA 3.3Å; R84-Q88 WeakPolarHBondContact O-CB 3.31Å; R84-Q88 PolarHBondContact O-N 2.65Å; R84-Q88 VanDerWaalsContact O-N 3.15Å; R84-I91 HydrophobicContact CB-CB 4.26Å; R84-I91 HydrophobicContact CB-CG1 4.25Å; R84-I91 HydrophobicContact CB-CG2 4.08Å; R84-I91 HydrophobicContact CG-CB 4.16Å; R84-I91 HydrophobicContact CG-CG2 4.06Å; R84-D92 IonicContact CZ-OD1 3.38Å; R84-D92 IonicContact CZ-OD2 3.72Å; R84-D92 IonicContact NE-OD1 2.88Å; R84-D92 PolarHBondContact NE-OD1 3.26Å; R84-D92 IonicContact NE-OD2 2.73Å; R84-D92 IonicContact NH2-OD1 2.64Å; R84-D92 PolarHBondContact NH2-OD1 3.04Å; R84-D92 VanDerWaalsContact NH2-OD1 3.16Å; R84-D92 IonicContact NH2-OD2 3.16Å; R84-D92 PolarHBondContact NH2-OD2 3.02Å
85	A	93.3	Very high	94.2	Very high	90 Å²	90	51.3 Å²	51.3	74%	0.744	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.4	174.4	0	0	0	0	0	113	L81 T82 V83	L81-A85 PolarHBondContact O-N 3.38Å; T82-A85 WeakPolarHBondContact O-CB 3.3Å; T82-A85 PolarHBondContact O-N 3.22Å; V83-A85 PolarHBondContact O-N 3.44Å
86	V	93.4	Very high	94.4	Very high	27 Å²	27	58.9 Å²	58.9	16%	0.164	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-40.3	-178.5	-179.8	0	0	0	0	111.7	V83 R84 K115 Q116 L119	V83-V86 PolarHBondContact O-N 3.28Å; R84-V86 PolarHBondContact O-N 3.38Å; V86-K115 HydrophobicContact CG1-CB 3.84Å; V86-K115 HydrophobicContact CG1-CD 3.79Å; V86-K115 HydrophobicContact CG1-CG 3.62Å; V86-K115 WeakPolarHBondContact O-CE 3.24Å; V86-K115 PolarHBondContact O-NZ 3.41Å; V86-Q116 HydrophobicContact CG1-CB 4.25Å; V86-Q116 HydrophobicContact CG2-CB 4.16Å; V86-Q116 HydrophobicContact CG2-CG 4.26Å; V86-L119 HydrophobicContact CG1-CD1 4.4Å
87	C	93.9	Very high	94.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.			trans	-117.9	55.5	-177.3	-74.9	0	0	0	0	111.3	V83 R89 E90 I91 S112	V83-C87 PolarHBondContact O-N 3.05Å; C87-R89 PolarHBondContact O-N 3.1Å; C87-E90 VanDerWaalsContact C-OE2 3.3Å; C87-E90 VanDerWaalsContact CA-OE2 3.27Å; C87-E90 WeakPolarHBondContact CA-OE2 3.39Å; C87-E90 HydrophobicContact CB-CB 4.49Å; C87-E90 VanDerWaalsContact CB-OE2 3.3Å; C87-E90 WeakPolarHBondContact CB-OE2 3.46Å; C87-E90 PolarHBondContact O-N 3.02Å; C87-I91 WeakPolarHBondContact O-CB 3.28Å; C87-I91 WeakPolarHBondContact O-CG1 3.19Å; C87-I91 PolarHBondContact O-N 3.03Å; C87-I91 VanDerWaalsContact O-N 3.12Å; C87-S112 VanDerWaalsContact SG-CA 3.5Å
88	Q	94.8	Very high	94.6	Very high	111 Å²	111	61.6 Å²	61.6	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-58.9	-47.6	-175.6	-175	178.9	-12.9	0	0	112.1	R84 E90 I91 D92	R84-Q88 HydrophobicContact CG-CB 4.43Å; R84-Q88 HydrophobicContact CG-CG 4.22Å; R84-Q88 VanDerWaalsContact O-CA 3.25Å; R84-Q88 WeakPolarHBondContact O-CA 3.3Å; R84-Q88 WeakPolarHBondContact O-CB 3.31Å; R84-Q88 PolarHBondContact O-N 2.65Å; R84-Q88 VanDerWaalsContact O-N 3.15Å; Q88-E90 PolarHBondContact O-N 2.98Å; Q88-I91 PolarHBondContact O-N 3.24Å; Q88-D92 WeakPolarHBondContact CG-OD2 3.48Å; Q88-D92 PolarHBondContact NE2-OD2 3.2Å; Q88-D92 WeakPolarHBondContact O-CB 3.21Å; Q88-D92 VanDerWaalsContact O-CG 3.3Å; Q88-D92 PolarHBondContact O-N 3.49Å
89	R	94.7	Very high	94.7	Very high	124 Å²	124	63 Å²	63	47%	0.468	32%	0.323	S	S	.	.	H	α-helix	trans	-58.6	-45.6	-176.7	-179.2	176.8	62	100.7	-1	112	C87 Y93 D141 T144	C87-R89 PolarHBondContact O-N 3.1Å; R89-Y93 VanDerWaalsContact O-CB 3.27Å; R89-Y93 WeakPolarHBondContact O-CB 3.27Å; R89-Y93 PolarHBondContact O-N 3.23Å; R89-D141 IonicContact CZ-OD2 2.87Å; R89-D141 VanDerWaalsContact NH2-CG 3.35Å; R89-D141 IonicContact NH2-OD1 3.36Å; R89-D141 PolarHBondContact NH2-OD1 2.86Å; R89-D141 VanDerWaalsContact NH2-OD1 3.16Å; R89-D141 IonicContact NH2-OD2 2.99Å; R89-D141 PolarHBondContact NH2-OD2 3.47Å; R89-T144 PolarHBondContact NH2-OG1 3.46Å; R89-T144 VanDerWaalsContact NH2-OG1 3.17Å
90	E	94.3	Very high	94.8	Very high	21 Å²	21	64.4 Å²	64.4	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-72.3	-41.1	-176.7	-60.4	76.8	-172.1	0	0	111.9	C87 Q88 Y93 D94 N108 K111	C87-E90 VanDerWaalsContact C-OE2 3.3Å; C87-E90 VanDerWaalsContact CA-OE2 3.27Å; C87-E90 WeakPolarHBondContact CA-OE2 3.39Å; C87-E90 HydrophobicContact CB-CB 4.49Å; C87-E90 VanDerWaalsContact CB-OE2 3.3Å; C87-E90 WeakPolarHBondContact CB-OE2 3.46Å; C87-E90 PolarHBondContact O-N 3.02Å; Q88-E90 PolarHBondContact O-N 2.98Å; E90-Y93 PolarHBondContact O-N 3.38Å; E90-D94 PolarHBondContact O-N 3.2Å; E90-N108 WeakPolarHBondContact CB-OD1 3.39Å; E90-K111 HydrophobicContact CG-CD 4.09Å; E90-K111 WeakPolarHBondContact OE1-CE 3.43Å; E90-K111 IonicContact OE1-NZ 3.92Å; E90-K111 PolarHBondContact OE1-NZ 3.49Å
91	I	95.7	Very high	94.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-49.7	176.7	-62.6	-65.8	0	0	0	109.8	V83 R84 C87 Q88 Y93 D94 R95 T104 N108	V83-I91 HydrophobicContact CG1-CD1 3.81Å; V83-I91 HydrophobicContact CG1-CG1 4.1Å; R84-I91 HydrophobicContact CB-CB 4.26Å; R84-I91 HydrophobicContact CB-CG1 4.25Å; R84-I91 HydrophobicContact CB-CG2 4.08Å; R84-I91 HydrophobicContact CG-CB 4.16Å; R84-I91 HydrophobicContact CG-CG2 4.06Å; C87-I91 WeakPolarHBondContact O-CB 3.28Å; C87-I91 WeakPolarHBondContact O-CG1 3.19Å; C87-I91 PolarHBondContact O-N 3.03Å; C87-I91 VanDerWaalsContact O-N 3.12Å; Q88-I91 PolarHBondContact O-N 3.24Å; I91-Y93 VanDerWaalsContact C-N 3.29Å; I91-Y93 PolarHBondContact O-N 3.42Å; I91-D94 PolarHBondContact O-N 3.46Å; I91-R95 HydrophobicContact CG2-CG 4.29Å; I91-R95 VanDerWaalsContact O-CG 3.28Å; I91-R95 WeakPolarHBondContact O-CG 3.34Å; I91-R95 PolarHBondContact O-N 2.9Å; I91-T104 HydrophobicContact CB-CG2 4.44Å; I91-T104 HydrophobicContact CD1-CG2 3.61Å; I91-T104 HydrophobicContact CG2-CG2 4.03Å; I91-N108 HydrophobicContact CD1-CB 3.69Å
92	D	96.2	Very high	94.8	Very high	42 Å²	42	65 Å²	65	23%	0.225	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-38.4	-179.3	-71.6	-11.6	0	0	0	111.3	R84 Q88 R95 Q96	R84-D92 IonicContact CZ-OD1 3.38Å; R84-D92 IonicContact CZ-OD2 3.72Å; R84-D92 IonicContact NE-OD1 2.88Å; R84-D92 PolarHBondContact NE-OD1 3.26Å; R84-D92 IonicContact NE-OD2 2.73Å; R84-D92 IonicContact NH2-OD1 2.64Å; R84-D92 PolarHBondContact NH2-OD1 3.04Å; R84-D92 VanDerWaalsContact NH2-OD1 3.16Å; R84-D92 IonicContact NH2-OD2 3.16Å; R84-D92 PolarHBondContact NH2-OD2 3.02Å; Q88-D92 WeakPolarHBondContact CG-OD2 3.48Å; Q88-D92 PolarHBondContact NE2-OD2 3.2Å; Q88-D92 WeakPolarHBondContact O-CB 3.21Å; Q88-D92 VanDerWaalsContact O-CG 3.3Å; Q88-D92 PolarHBondContact O-N 3.49Å; D92-R95 PolarHBondContact O-N 3.43Å; D92-Q96 WeakPolarHBondContact O-CB 3.34Å; D92-Q96 VanDerWaalsContact O-CG 3.23Å; D92-Q96 WeakPolarHBondContact O-CG 3.49Å; D92-Q96 PolarHBondContact O-N 3.47Å
93	Y	95.6	Very high	94.9	Very high	137 Å²	137	63.5 Å²	63.5	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-51.6	172.8	178.8	-96	0	0	0	112.1	R89 E90 I91 R95 Q96 N97	R89-Y93 VanDerWaalsContact O-CB 3.27Å; R89-Y93 WeakPolarHBondContact O-CB 3.27Å; R89-Y93 PolarHBondContact O-N 3.23Å; E90-Y93 PolarHBondContact O-N 3.38Å; I91-Y93 VanDerWaalsContact C-N 3.29Å; I91-Y93 PolarHBondContact O-N 3.42Å; Y93-R95 VanDerWaalsContact C-N 3.28Å; Y93-R95 PolarHBondContact O-N 2.96Å; Y93-Q96 PolarHBondContact O-N 3.08Å; Y93-N97 VanDerWaalsContact CE1-ND2 3.31Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.24Å; Y93-N97 WeakPolarHBondContact CE2-ND2 3.16Å; Y93-N97 VanDerWaalsContact CZ-ND2 3.27Å; Y93-N97 PolarHBondContact O-N 3.12Å; Y93-N97 PolarHBondContact O-ND2 3.43Å
94	D	96.1	Very high	95	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-35.8	179.3	-84.2	-9	0	0	0	111.6	E90 I91 N97 G98 Y99 T104 R107 N108	E90-D94 PolarHBondContact O-N 3.2Å; I91-D94 PolarHBondContact O-N 3.46Å; D94-N97 PolarHBondContact O-N 2.97Å; D94-G98 PolarHBondContact O-N 3.41Å; D94-Y99 HydrophobicContact CB-CD2 3.96Å; D94-Y99 VanDerWaalsContact O-CD2 3.3Å; D94-Y99 WeakPolarHBondContact O-CD2 3.29Å; D94-Y99 PolarHBondContact O-N 3.09Å; D94-T104 HydrophobicContact CB-CG2 3.67Å; D94-R107 IonicContact OD1-CZ 3.73Å; D94-R107 IonicContact OD1-NE 3.98Å; D94-R107 PolarHBondContact OD1-NE 3.43Å; D94-R107 IonicContact OD1-NH2 2.64Å; D94-R107 WeakPolarHBondContact OD2-CD 3.36Å; D94-R107 IonicContact OD2-NE 3.19Å; D94-R107 PolarHBondContact OD2-NE 3.34Å; D94-N108 PolarHBondContact OD2-ND2 3.43Å
95	R	95.2	Very high	95	Very high	72 Å²	72	58.8 Å²	58.8	27%	0.272	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-42.8	174	-66	-45.2	-61.6	163	5.5	112	I91 D92 Y93 N97 G98 Y99 W101	I91-R95 HydrophobicContact CG2-CG 4.29Å; I91-R95 VanDerWaalsContact O-CG 3.28Å; I91-R95 WeakPolarHBondContact O-CG 3.34Å; I91-R95 PolarHBondContact O-N 2.9Å; D92-R95 PolarHBondContact O-N 3.43Å; Y93-R95 VanDerWaalsContact C-N 3.28Å; Y93-R95 PolarHBondContact O-N 2.96Å; R95-N97 VanDerWaalsContact C-N 3.27Å; R95-N97 PolarHBondContact O-N 3.35Å; R95-G98 PolarHBondContact O-N 3.16Å; R95-G98 VanDerWaalsContact O-N 3.13Å; R95-Y99 PolarHBondContact NH1-O 2.87Å; R95-W101 HydrophobicContact CG-CH2 4.15Å; R95-W101 HydrophobicContact CG-CZ3 4.06Å; R95-W101 VanDerWaalsContact NH1-N 3.14Å
96	Q	97	Very high	95	Very high	159 Å²	159	58.9 Å²	58.9	74%	0.743	29%	0.289	S	S	*	.	H	α-helix	trans	-64.5	-32.3	176.9	-72.9	169.8	25.6	0	0	112.4	D92 Y93 G98	D92-Q96 WeakPolarHBondContact O-CB 3.34Å; D92-Q96 VanDerWaalsContact O-CG 3.23Å; D92-Q96 WeakPolarHBondContact O-CG 3.49Å; D92-Q96 PolarHBondContact O-N 3.47Å; Y93-Q96 PolarHBondContact O-N 3.08Å; Q96-G98 PolarHBondContact O-N 3.28Å
97	N	96.8	Very high	95.1	Very high	86 Å²	86	63.4 Å²	63.4	46%	0.46	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.7	175.8	-74.1	-82.8	0	0	0	113.7	Y93 D94 R95 Y99	Y93-N97 VanDerWaalsContact CE1-ND2 3.31Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.24Å; Y93-N97 WeakPolarHBondContact CE2-ND2 3.16Å; Y93-N97 VanDerWaalsContact CZ-ND2 3.27Å; Y93-N97 PolarHBondContact O-N 3.12Å; Y93-N97 PolarHBondContact O-ND2 3.43Å; D94-N97 PolarHBondContact O-N 2.97Å; R95-N97 VanDerWaalsContact C-N 3.27Å; R95-N97 PolarHBondContact O-N 3.35Å; N97-Y99 HydrophobicContact CB-CD2 3.85Å; N97-Y99 HydrophobicContact CB-CE2 3.7Å
98	G	95.4	Very high	95.1	Very high	65 Å²	65	64 Å²	64	67%	0.67	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	16.4	172.9	0	0	0	0	0	115.2	D94 R95 Q96	D94-G98 PolarHBondContact O-N 3.41Å; R95-G98 PolarHBondContact O-N 3.16Å; R95-G98 VanDerWaalsContact O-N 3.13Å; Q96-G98 PolarHBondContact O-N 3.28Å
99	Y	95.7	Very high	95.1	Very high	87 Å²	87	60.4 Å²	60.4	34%	0.341	29%	0.289	S	S	.	.			trans	-65.3	152.6	172.7	-68.6	-75.9	0	0	0	111.2	D94 R95 N97 I103	D94-Y99 HydrophobicContact CB-CD2 3.96Å; D94-Y99 VanDerWaalsContact O-CD2 3.3Å; D94-Y99 WeakPolarHBondContact O-CD2 3.29Å; D94-Y99 PolarHBondContact O-N 3.09Å; R95-Y99 PolarHBondContact NH1-O 2.87Å; N97-Y99 HydrophobicContact CB-CD2 3.85Å; N97-Y99 HydrophobicContact CB-CE2 3.7Å; Y99-I103 HydrophobicContact CD1-CB 4.44Å; Y99-I103 HydrophobicContact CD1-CG2 3.55Å; Y99-I103 HydrophobicContact CE1-CG2 4.28Å; Y99-I103 HydrophobicContact CG-CG2 4.2Å
100	S	94.4	Very high	95	Very high	49 Å²	49	60 Å²	60	34%	0.343	29%	0.287	S	S	.	.			trans	-74	162	171.6	69.6	0	0	0	0	111.5	K102 I103 T104	S100-K102 PolarHBondContact O-N 3.15Å; S100-I103 PolarHBondContact O-N 3.02Å; S100-I103 VanDerWaalsContact O-N 3.15Å; S100-I103 WeakPolarHBondContact OG-CG1 3.47Å; S100-I103 PolarHBondContact OG-N 2.9Å; S100-T104 WeakPolarHBondContact O-CB 3.5Å; S100-T104 PolarHBondContact O-N 3.3Å; S100-T104 PolarHBondContact O-OG1 3.43Å
101	W	95.3	Very high	95.1	Very high	40 Å²	40	59.8 Å²	59.8	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-37.5	-177.9	-72.2	112.1	0	0	0	111.7	D73 W76 K77 C80 L81 R95 L105	D73-W101 WeakPolarHBondContact OD1-CB 3.24Å; D73-W101 PolarHBondContact OD1-N 3.42Å; W76-W101 HydrophobicContact CB-CB 3.89Å; K77-W101 HydrophobicContact CB-CB 4.28Å; K77-W101 HydrophobicContact CB-CD2 3.8Å; K77-W101 HydrophobicContact CB-CE3 4.43Å; K77-W101 HydrophobicContact CB-CG 3.7Å; K77-W101 HydrophobicContact CD-CZ2 4.05Å; K77-W101 HydrophobicContact CG-CD2 3.84Å; K77-W101 HydrophobicContact CG-CE3 4.3Å; K77-W101 HydrophobicContact CG-CG 4.24Å; K77-W101 HydrophobicContact CG-CH2 4.26Å; K77-W101 HydrophobicContact CG-CZ2 3.81Å; K77-W101 HydrophobicContact CG-CZ3 4.48Å; C80-W101 HydrophobicContact CB-CD2 4.48Å; C80-W101 HydrophobicContact CB-CE3 3.42Å; C80-W101 VanDerWaalsContact CB-CE3 3.42Å; C80-W101 HydrophobicContact CB-CZ3 3.81Å; L81-W101 HydrophobicContact CD2-CH2 4.47Å; R95-W101 HydrophobicContact CG-CH2 4.15Å; R95-W101 HydrophobicContact CG-CZ3 4.06Å; R95-W101 VanDerWaalsContact NH1-N 3.14Å; W101-L105 WeakPolarHBondContact O-CB 3.36Å; W101-L105 PolarHBondContact O-N 2.89Å
102	K	93.3	Very high	95	Very high	49 Å²	49	60 Å²	60	21%	0.213	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-50.9	173.7	-173.9	-174.8	-177.8	-168.4	0	112	E70 W76 S100 L105 L106	E70-K102 IonicContact OE1-NZ 2.73Å; E70-K102 PolarHBondContact OE1-NZ 3.06Å; E70-K102 WeakPolarHBondContact OE2-CE 3.31Å; E70-K102 IonicContact OE2-NZ 2.56Å; E70-K102 PolarHBondContact OE2-NZ 3.18Å; W76-K102 HydrophobicContact CB-CB 4.18Å; W76-K102 HydrophobicContact CD2-CB 3.93Å; W76-K102 HydrophobicContact CD2-CD 4.48Å; W76-K102 HydrophobicContact CD2-CG 3.83Å; W76-K102 HydrophobicContact CE3-CG 4.16Å; W76-K102 HydrophobicContact CG-CB 3.74Å; W76-K102 HydrophobicContact CG-CG 4.19Å; W76-K102 HydrophobicContact CH2-CG 4.49Å; W76-K102 HydrophobicContact CZ2-CD 4.1Å; W76-K102 HydrophobicContact CZ2-CG 4.19Å; W76-K102 HydrophobicContact CZ3-CG 4.48Å; S100-K102 PolarHBondContact O-N 3.15Å; K102-L105 PolarHBondContact O-N 3.29Å; K102-L106 HydrophobicContact CG-CD1 4.12Å; K102-L106 WeakPolarHBondContact O-CG 3.44Å; K102-L106 PolarHBondContact O-N 3.46Å
103	I	94.1	Very high	94.9	Very high	70 Å²	70	61.6 Å²	61.6	36%	0.359	29%	0.292	S	S	.	.	H	α-helix	trans	-66.5	-42.7	-177.4	-63.1	-61.7	0	0	0	110.6	Y99 S100 L105 L106 R107	Y99-I103 HydrophobicContact CD1-CB 4.44Å; Y99-I103 HydrophobicContact CD1-CG2 3.55Å; Y99-I103 HydrophobicContact CE1-CG2 4.28Å; Y99-I103 HydrophobicContact CG-CG2 4.2Å; S100-I103 PolarHBondContact O-N 3.02Å; S100-I103 VanDerWaalsContact O-N 3.15Å; S100-I103 WeakPolarHBondContact OG-CG1 3.47Å; S100-I103 PolarHBondContact OG-N 2.9Å; I103-L105 VanDerWaalsContact C-N 3.32Å; I103-L105 PolarHBondContact O-N 3.33Å; I103-L106 PolarHBondContact O-N 3.01Å; I103-R107 HydrophobicContact CG2-CG 4.33Å; I103-R107 WeakPolarHBondContact O-CD 3.48Å; I103-R107 VanDerWaalsContact O-CG 3.24Å; I103-R107 WeakPolarHBondContact O-CG 3.11Å; I103-R107 PolarHBondContact O-N 3.06Å
104	T	96.2	Very high	94.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-45.2	173.8	-58.4	0	0	0	0	111.4	I91 D94 S100 N108	I91-T104 HydrophobicContact CB-CG2 4.44Å; I91-T104 HydrophobicContact CD1-CG2 3.61Å; I91-T104 HydrophobicContact CG2-CG2 4.03Å; D94-T104 HydrophobicContact CB-CG2 3.67Å; S100-T104 WeakPolarHBondContact O-CB 3.5Å; S100-T104 PolarHBondContact O-N 3.3Å; S100-T104 PolarHBondContact O-OG1 3.43Å; T104-N108 PolarHBondContact O-N 3.06Å; T104-N108 PolarHBondContact O-ND2 3.32Å
105	L	94.8	Very high	94.9	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-48.9	178.2	-176.2	66.9	0	0	0	111.7	I52 W76 H79 V83 W101 K102 I103 R107 N108 Y109	I52-L105 HydrophobicContact CD1-CD1 3.89Å; I52-L105 HydrophobicContact CD1-CD2 4.07Å; I52-L105 HydrophobicContact CD1-CG 4.34Å; I52-L105 HydrophobicContact CG1-CD2 4.22Å; I52-L105 HydrophobicContact CG2-CD2 4.43Å; W76-L105 HydrophobicContact CE3-CD2 3.77Å; W76-L105 HydrophobicContact CZ3-CD2 4.24Å; H79-L105 HydrophobicContact CB-CD1 4.21Å; H79-L105 HydrophobicContact CB-CD2 3.67Å; V83-L105 HydrophobicContact CB-CD1 4.21Å; V83-L105 HydrophobicContact CG2-CD1 3.64Å; W101-L105 WeakPolarHBondContact O-CB 3.36Å; W101-L105 PolarHBondContact O-N 2.89Å; K102-L105 PolarHBondContact O-N 3.29Å; I103-L105 VanDerWaalsContact C-N 3.32Å; I103-L105 PolarHBondContact O-N 3.33Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 3.19Å; L105-N108 PolarHBondContact O-N 3.44Å; L105-N108 VanDerWaalsContact O-N 3.16Å; L105-Y109 WeakPolarHBondContact O-CB 3.4Å; L105-Y109 PolarHBondContact O-N 3.1Å
106	L	93.1	Very high	94.9	Very high	92 Å²	92	57.5 Å²	57.5	48%	0.482	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-40.6	-177.9	-73.8	173.8	0	0	0	112.6	K102 I103 N108	K102-L106 HydrophobicContact CG-CD1 4.12Å; K102-L106 WeakPolarHBondContact O-CG 3.44Å; K102-L106 PolarHBondContact O-N 3.46Å; I103-L106 PolarHBondContact O-N 3.01Å; L106-N108 VanDerWaalsContact C-N 3.29Å; L106-N108 PolarHBondContact O-N 3.47Å
107	R	94.2	Very high	94.8	Very high	122 Å²	122	51.8 Å²	51.8	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-32.9	179	-70.7	168.1	65.8	80.4	0.9	112.6	D94 I103 L105	D94-R107 IonicContact OD1-CZ 3.73Å; D94-R107 IonicContact OD1-NE 3.98Å; D94-R107 PolarHBondContact OD1-NE 3.43Å; D94-R107 IonicContact OD1-NH2 2.64Å; D94-R107 WeakPolarHBondContact OD2-CD 3.36Å; D94-R107 IonicContact OD2-NE 3.19Å; D94-R107 PolarHBondContact OD2-NE 3.34Å; I103-R107 HydrophobicContact CG2-CG 4.33Å; I103-R107 WeakPolarHBondContact O-CD 3.48Å; I103-R107 VanDerWaalsContact O-CG 3.24Å; I103-R107 WeakPolarHBondContact O-CG 3.11Å; I103-R107 PolarHBondContact O-N 3.06Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 3.19Å
108	N	95.4	Very high	94.7	Very high	12 Å²	12	50 Å²	50	6%	0.064	24%	0.241	C	C	.	.	H	α-helix	trans	-108.7	-5.3	-170.1	-64.5	-65.9	0	0	0	114.3	V83 E90 I91 D94 T104 L105 L106 K111 S112	V83-N108 HydrophobicContact CG1-CB 4.42Å; E90-N108 WeakPolarHBondContact CB-OD1 3.39Å; I91-N108 HydrophobicContact CD1-CB 3.69Å; D94-N108 PolarHBondContact OD2-ND2 3.43Å; T104-N108 PolarHBondContact O-N 3.06Å; T104-N108 PolarHBondContact O-ND2 3.32Å; L105-N108 PolarHBondContact O-N 3.44Å; L105-N108 VanDerWaalsContact O-N 3.16Å; L106-N108 VanDerWaalsContact C-N 3.29Å; L106-N108 PolarHBondContact O-N 3.47Å; N108-K111 PolarHBondContact O-N 3.1Å; N108-S112 WeakPolarHBondContact O-CB 2.98Å; N108-S112 PolarHBondContact O-N 2.85Å; N108-S112 PolarHBondContact O-OG 2.96Å
109	Y	93.8	Very high	94.6	Very high	36 Å²	36	49.8 Å²	49.8	14%	0.141	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-50.3	-174.5	176	-113.2	0	0	0	113.1	I52 L105 S112 K113	I52-Y109 HydrophobicContact CB-CE2 4.02Å; I52-Y109 HydrophobicContact CD1-CD2 3.55Å; I52-Y109 HydrophobicContact CD1-CE2 3.57Å; I52-Y109 HydrophobicContact CG1-CE2 4.38Å; I52-Y109 HydrophobicContact CG2-CD2 4.22Å; I52-Y109 HydrophobicContact CG2-CE2 4.08Å; L105-Y109 WeakPolarHBondContact O-CB 3.4Å; L105-Y109 PolarHBondContact O-N 3.1Å; Y109-S112 PolarHBondContact O-N 2.99Å; Y109-S112 PolarHBondContact O-OG 3.19Å; Y109-K113 HydrophobicContact CE1-CD 4.46Å; Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.48Å; Y109-K113 PolarHBondContact O-N 3.17Å
110	W	93.3	Very high	94.5	Very high	114 Å²	114	49.2 Å²	49.2	43%	0.432	23%	0.233	S	C	.	.	H	α-helix	trans	-68.7	-40.6	-178.9	-76.9	109.2	0	0	0	112.5	S112 K113 V114 Y138	W110-S112 PolarHBondContact O-N 3.3Å; W110-K113 HydrophobicContact CZ3-CD 4.39Å; W110-K113 PolarHBondContact O-N 3.47Å; W110-V114 PolarHBondContact O-N 2.83Å; W110-Y138 HydrophobicContact CB-CD2 3.63Å; W110-Y138 HydrophobicContact CB-CE2 3.31Å; W110-Y138 HydrophobicContact CB-CG 4.42Å; W110-Y138 HydrophobicContact CG-CE2 4.18Å
111	K	94.6	Very high	94.4	Very high	18 Å²	18	47.7 Å²	47.7	8%	0.078	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-51.5	175.5	-173.5	174.5	-176.4	178.4	0	110.7	E90 N108 K115 Y138 M140 D141 T144	E90-K111 HydrophobicContact CG-CD 4.09Å; E90-K111 WeakPolarHBondContact OE1-CE 3.43Å; E90-K111 IonicContact OE1-NZ 3.92Å; E90-K111 PolarHBondContact OE1-NZ 3.49Å; N108-K111 PolarHBondContact O-N 3.1Å; K111-K115 VanDerWaalsContact O-CB 3.3Å; K111-K115 WeakPolarHBondContact O-CB 3.35Å; K111-K115 PolarHBondContact O-N 3.47Å; K111-Y138 HydrophobicContact CB-CD1 3.88Å; K111-Y138 HydrophobicContact CB-CE1 3.72Å; K111-Y138 HydrophobicContact CG-CD1 4.3Å; K111-Y138 HydrophobicContact CG-CE1 4.4Å; K111-M140 HydrophobicContact CD-CG 4.44Å; K111-M140 HydrophobicContact CG-CE 4.05Å; K111-M140 HydrophobicContact CG-CG 4.03Å; K111-M140 HydrophobicContact CG-SD 3.9Å; K111-M140 VanDerWaalsContact O-CE 3.24Å; K111-M140 WeakPolarHBondContact O-CE 3.36Å; K111-D141 IonicContact NZ-OD2 3.16Å; K111-D141 PolarHBondContact NZ-OD2 3.34Å; K111-T144 PolarHBondContact NZ-OG1 3.37Å
112	S	95	Very high	94.3	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-179.6	58.9	0	0	0	0	113.4	V83 C87 N108 Y109 W110 K115 Q116	V83-S112 WeakPolarHBondContact CG1-OG 3.35Å; C87-S112 VanDerWaalsContact SG-CA 3.5Å; N108-S112 WeakPolarHBondContact O-CB 2.98Å; N108-S112 PolarHBondContact O-N 2.85Å; N108-S112 PolarHBondContact O-OG 2.96Å; Y109-S112 PolarHBondContact O-N 2.99Å; Y109-S112 PolarHBondContact O-OG 3.19Å; W110-S112 PolarHBondContact O-N 3.3Å; S112-K115 PolarHBondContact O-N 3.39Å; S112-Q116 VanDerWaalsContact O-CB 3.23Å; S112-Q116 WeakPolarHBondContact O-CB 3.46Å; S112-Q116 PolarHBondContact O-N 2.86Å
113	K	94.3	Very high	94.1	Very high	75 Å²	75	49.8 Å²	49.8	33%	0.326	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-49.7	177.4	-176	169.4	-174.2	166.1	0	111.8	Y109 W110 Q116 E117	Y109-K113 HydrophobicContact CE1-CD 4.46Å; Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.48Å; Y109-K113 PolarHBondContact O-N 3.17Å; W110-K113 HydrophobicContact CZ3-CD 4.39Å; W110-K113 PolarHBondContact O-N 3.47Å; K113-Q116 PolarHBondContact O-N 3.02Å; K113-E117 WeakPolarHBondContact O-CG 3.46Å; K113-E117 PolarHBondContact O-N 3.41Å
114	V	95.1	Very high	93.9	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-46.2	178.6	171.1	0	0	0	0	110.5	W110 Q116 E117 W118 S136 M140 W145	W110-V114 PolarHBondContact O-N 2.83Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.08Å; V114-E117 PolarHBondContact O-N 3.29Å; V114-W118 VanDerWaalsContact O-CD1 3.23Å; V114-W118 PolarHBondContact O-N 3.45Å; V114-W118 VanDerWaalsContact O-N 3.08Å; V114-S136 WeakPolarHBondContact CG1-O 3.36Å; V114-M140 HydrophobicContact CB-CE 3.71Å; V114-M140 HydrophobicContact CG1-CE 3.63Å; V114-W145 HydrophobicContact CG1-CH2 4.43Å
115	K	95.6	Very high	93.4	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-44.9	177.3	-177.6	171.3	-177.6	-171.4	0	111.5	V86 K111 S112 W118 L119 M140 T144 E147 I148	V86-K115 HydrophobicContact CG1-CB 3.84Å; V86-K115 HydrophobicContact CG1-CD 3.79Å; V86-K115 HydrophobicContact CG1-CG 3.62Å; V86-K115 WeakPolarHBondContact O-CE 3.24Å; V86-K115 PolarHBondContact O-NZ 3.41Å; K111-K115 VanDerWaalsContact O-CB 3.3Å; K111-K115 WeakPolarHBondContact O-CB 3.35Å; K111-K115 PolarHBondContact O-N 3.47Å; S112-K115 PolarHBondContact O-N 3.39Å; K115-W118 PolarHBondContact O-N 3.44Å; K115-L119 HydrophobicContact CG-CD1 3.86Å; K115-L119 HydrophobicContact CG-CG 4.33Å; K115-L119 WeakPolarHBondContact O-CB 3.34Å; K115-L119 VanDerWaalsContact O-CG 3.28Å; K115-L119 WeakPolarHBondContact O-CG 3.34Å; K115-L119 PolarHBondContact O-N 3.37Å; K115-M140 HydrophobicContact CB-CE 4.24Å; K115-T144 HydrophobicContact CD-CG2 3.95Å; K115-E147 WeakPolarHBondContact CE-OE2 3.47Å; K115-E147 IonicContact NZ-OE2 2.67Å; K115-E147 PolarHBondContact NZ-OE2 2.97Å; K115-I148 HydrophobicContact CB-CD1 4.25Å; K115-I148 HydrophobicContact CG-CD1 3.96Å; K115-I148 HydrophobicContact CG-CG1 4.05Å
116	Q	95.2	Very high	93	Very high	114 Å²	114	57.4 Å²	57.4	53%	0.533	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-41.9	177.9	-172.5	179.8	5	0	0	112.2	V86 S112 K113 V114 W118 L119 S120	V86-Q116 HydrophobicContact CG1-CB 4.25Å; V86-Q116 HydrophobicContact CG2-CB 4.16Å; V86-Q116 HydrophobicContact CG2-CG 4.26Å; S112-Q116 VanDerWaalsContact O-CB 3.23Å; S112-Q116 WeakPolarHBondContact O-CB 3.46Å; S112-Q116 PolarHBondContact O-N 2.86Å; K113-Q116 PolarHBondContact O-N 3.02Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.08Å; Q116-W118 VanDerWaalsContact C-N 3.35Å; Q116-W118 PolarHBondContact O-N 2.54Å; Q116-L119 PolarHBondContact O-N 2.8Å; Q116-S120 VanDerWaalsContact O-CB 3.29Å; Q116-S120 WeakPolarHBondContact O-CB 3.48Å; Q116-S120 PolarHBondContact O-N 3.1Å; Q116-S120 PolarHBondContact O-OG 3.19Å
117	E	94.7	Very high	92.4	Very high	39 Å²	39	61.4 Å²	61.4	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-43.9	177.8	-76	-175.4	142	0	0	111.5	K113 V114 S120 K122 Y123	K113-E117 WeakPolarHBondContact O-CG 3.46Å; K113-E117 PolarHBondContact O-N 3.41Å; V114-E117 PolarHBondContact O-N 3.29Å; E117-S120 PolarHBondContact O-N 3.28Å; E117-S120 PolarHBondContact O-OG 3.25Å; E117-K122 HydrophobicContact CB-CD 4.02Å; E117-K122 HydrophobicContact CG-CD 3.93Å; E117-K122 WeakPolarHBondContact O-CB 3.34Å; E117-K122 PolarHBondContact O-N 3.36Å; E117-K122 IonicContact OE1-NZ 3.69Å; E117-K122 PolarHBondContact OE1-NZ 3.29Å; E117-Y123 HydrophobicContact CB-CE2 3.82Å; E117-Y123 PolarHBondContact OE2-OH 3Å; E117-Y123 VanDerWaalsContact OE2-OH 3.1Å
118	W	94.8	Very high	92	Very high	48 Å²	48	58.1 Å²	58.1	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-52.5	172.5	-77.8	99.6	0	0	0	112.3	V114 K115 Q116 S120 G121 Y123 L132 S136 M137 W145 I148	V114-W118 VanDerWaalsContact O-CD1 3.23Å; V114-W118 PolarHBondContact O-N 3.45Å; V114-W118 VanDerWaalsContact O-N 3.08Å; K115-W118 PolarHBondContact O-N 3.44Å; Q116-W118 VanDerWaalsContact C-N 3.35Å; Q116-W118 PolarHBondContact O-N 2.54Å; W118-S120 PolarHBondContact O-N 2.79Å; W118-S120 VanDerWaalsContact O-N 3.16Å; W118-G121 PolarHBondContact O-N 3.3Å; W118-Y123 AromaticContact CD2-CD2 3.49Å; W118-Y123 HydrophobicContact CD2-CD2 3.49Å; W118-Y123 VanDerWaalsContact CD2-CD2 3.49Å; W118-Y123 HydrophobicContact CD2-CE2 4.26Å; W118-Y123 HydrophobicContact CD2-CG 4.37Å; W118-Y123 AromaticContact CE2-CD2 3.48Å; W118-Y123 VanDerWaalsContact CE2-CD2 3.48Å; W118-Y123 AromaticContact CE2-CE2 4Å; W118-Y123 AromaticContact CE3-CD2 3.86Å; W118-Y123 HydrophobicContact CE3-CD2 3.86Å; W118-Y123 HydrophobicContact CE3-CG 4.34Å; W118-Y123 AromaticContact CG-CD2 3.83Å; W118-Y123 HydrophobicContact CG-CD2 3.83Å; W118-Y123 HydrophobicContact CG-CE2 4.29Å; W118-Y123 HydrophobicContact CH2-CD2 4.22Å; W118-Y123 HydrophobicContact CH2-CG 4.36Å; W118-Y123 AromaticContact CZ2-CD2 3.88Å; W118-Y123 HydrophobicContact CZ2-CD2 3.88Å; W118-Y123 HydrophobicContact CZ2-CG 4.39Å; W118-Y123 HydrophobicContact CZ3-CD2 4.21Å; W118-Y123 HydrophobicContact CZ3-CG 4.33Å; W118-Y123 AromaticContact NE1-CD2 3.81Å; W118-Y123 AromaticContact NE1-CE2 3.87Å; W118-L132 HydrophobicContact CH2-CD2 4Å; W118-L132 HydrophobicContact CZ2-CD2 4.09Å; W118-S136 PolarHBondContact NE1-O 3.09Å; W118-M137 HydrophobicContact CZ2-SD 4.15Å; W118-W145 AromaticContact NE1-CH2 3.9Å; W118-W145 AromaticContact NE1-CZ3 3.91Å; W118-I148 HydrophobicContact CB-CD1 4.44Å; W118-I148 HydrophobicContact CB-CG2 3.54Å; W118-I148 HydrophobicContact CD2-CG2 4.35Å; W118-I148 HydrophobicContact CE3-CG2 4.48Å; W118-I148 HydrophobicContact CG-CG2 3.99Å
119	L	94.6	Very high	91.4	Very high	60 Å²	60	68.4 Å²	68.4	31%	0.314	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-22.9	-179.6	-68.8	177.6	0	0	0	113.6	V86 K115 Q116 G121 I148 A151 R155	V86-L119 HydrophobicContact CG1-CD1 4.4Å; K115-L119 HydrophobicContact CG-CD1 3.86Å; K115-L119 HydrophobicContact CG-CG 4.33Å; K115-L119 WeakPolarHBondContact O-CB 3.34Å; K115-L119 VanDerWaalsContact O-CG 3.28Å; K115-L119 WeakPolarHBondContact O-CG 3.34Å; K115-L119 PolarHBondContact O-N 3.37Å; Q116-L119 PolarHBondContact O-N 2.8Å; L119-G121 PolarHBondContact O-N 3.32Å; L119-I148 HydrophobicContact CD2-CG1 4.43Å; L119-A151 HydrophobicContact CD2-CB 3.56Å; L119-R155 PolarHBondContact O-NH2 3.21Å
120	S	93.6	Very high	91	Very high	76 Å²	76	72.1 Å²	72.1	53%	0.531	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.3	173.9	74	0	0	0	0	113.4	Q116 E117 W118 K122	Q116-S120 VanDerWaalsContact O-CB 3.29Å; Q116-S120 WeakPolarHBondContact O-CB 3.48Å; Q116-S120 PolarHBondContact O-N 3.1Å; Q116-S120 PolarHBondContact O-OG 3.19Å; E117-S120 PolarHBondContact O-N 3.28Å; E117-S120 PolarHBondContact O-OG 3.25Å; W118-S120 PolarHBondContact O-N 2.79Å; W118-S120 VanDerWaalsContact O-N 3.16Å; S120-K122 VanDerWaalsContact C-N 3.31Å; S120-K122 PolarHBondContact OG-N 2.94Å
121	G	92.3	Very high	90.6	Very high	17 Å²	17	69.6 Å²	69.6	18%	0.175	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	15.3	-173.8	0	0	0	0	0	113.3	W118 L119 Y123 S124	W118-G121 PolarHBondContact O-N 3.3Å; L119-G121 PolarHBondContact O-N 3.32Å; G121-Y123 PolarHBondContact O-N 3.37Å; G121-S124 VanDerWaalsContact CA-OG 3.24Å; G121-S124 WeakPolarHBondContact CA-OG 3.49Å; G121-S124 PolarHBondContact O-N 2.97Å; G121-S124 PolarHBondContact O-OG 3.4Å
122	K	91.5	Very high	90.3	Very high	116 Å²	116	71.3 Å²	71.3	50%	0.504	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-27	178.7	-173.8	175.4	179.5	171.7	0	112.5	E117 S120	E117-K122 HydrophobicContact CB-CD 4.02Å; E117-K122 HydrophobicContact CG-CD 3.93Å; E117-K122 WeakPolarHBondContact O-CB 3.34Å; E117-K122 PolarHBondContact O-N 3.36Å; E117-K122 IonicContact OE1-NZ 3.69Å; E117-K122 PolarHBondContact OE1-NZ 3.29Å; S120-K122 VanDerWaalsContact C-N 3.31Å; S120-K122 PolarHBondContact OG-N 2.94Å
123	Y	90.8	Very high	89.9	Confident	16 Å²	16	74.2 Å²	74.2	6%	0.063	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	9.3	-173	-56.9	-44.7	0	0	0	114	E117 W118 G121 N125 I126 L132 P133	E117-Y123 HydrophobicContact CB-CE2 3.82Å; E117-Y123 PolarHBondContact OE2-OH 3Å; E117-Y123 VanDerWaalsContact OE2-OH 3.1Å; W118-Y123 AromaticContact CD2-CD2 3.49Å; W118-Y123 HydrophobicContact CD2-CD2 3.49Å; W118-Y123 VanDerWaalsContact CD2-CD2 3.49Å; W118-Y123 HydrophobicContact CD2-CE2 4.26Å; W118-Y123 HydrophobicContact CD2-CG 4.37Å; W118-Y123 AromaticContact CE2-CD2 3.48Å; W118-Y123 VanDerWaalsContact CE2-CD2 3.48Å; W118-Y123 AromaticContact CE2-CE2 4Å; W118-Y123 AromaticContact CE3-CD2 3.86Å; W118-Y123 HydrophobicContact CE3-CD2 3.86Å; W118-Y123 HydrophobicContact CE3-CG 4.34Å; W118-Y123 AromaticContact CG-CD2 3.83Å; W118-Y123 HydrophobicContact CG-CD2 3.83Å; W118-Y123 HydrophobicContact CG-CE2 4.29Å; W118-Y123 HydrophobicContact CH2-CD2 4.22Å; W118-Y123 HydrophobicContact CH2-CG 4.36Å; W118-Y123 AromaticContact CZ2-CD2 3.88Å; W118-Y123 HydrophobicContact CZ2-CD2 3.88Å; W118-Y123 HydrophobicContact CZ2-CG 4.39Å; W118-Y123 HydrophobicContact CZ3-CD2 4.21Å; W118-Y123 HydrophobicContact CZ3-CG 4.33Å; W118-Y123 AromaticContact NE1-CD2 3.81Å; W118-Y123 AromaticContact NE1-CE2 3.87Å; G121-Y123 PolarHBondContact O-N 3.37Å; Y123-N125 VanDerWaalsContact C-N 3.32Å; Y123-N125 PolarHBondContact O-N 2.89Å; Y123-I126 HydrophobicContact CD1-CD1 3.77Å; Y123-I126 HydrophobicContact CG-CD1 4.02Å; Y123-I126 VanDerWaalsContact O-CG1 3.31Å; Y123-I126 WeakPolarHBondContact O-CG1 3.49Å; Y123-L132 HydrophobicContact CD1-CD2 4.47Å; Y123-L132 HydrophobicContact CG-CD2 4.47Å; Y123-P133 HydrophobicContact CE1-CG 4.06Å
124	S	88.4	Confident	89.5	Confident	38 Å²	38	79.8 Å²	79.8	27%	0.266	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.5	-176.4	-58.5	0	0	0	0	114.1	G121 E152	G121-S124 VanDerWaalsContact CA-OG 3.24Å; G121-S124 WeakPolarHBondContact CA-OG 3.49Å; G121-S124 PolarHBondContact O-N 2.97Å; G121-S124 PolarHBondContact O-OG 3.4Å; S124-E152 VanDerWaalsContact CA-OE1 3.31Å; S124-E152 WeakPolarHBondContact CA-OE1 3.27Å; S124-E152 WeakPolarHBondContact CB-OE1 3.43Å; S124-E152 VanDerWaalsContact OG-CD 3.31Å; S124-E152 PolarHBondContact OG-OE1 3.21Å; S124-E152 PolarHBondContact OG-OE2 3.32Å
125	N	86.1	Confident	89.1	Confident	138 Å²	138	86.7 Å²	86.7	74%	0.738	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	33	-174.2	-65.6	-58.2	0	0	0	113.7	Y123 H127	Y123-N125 VanDerWaalsContact C-N 3.32Å; Y123-N125 PolarHBondContact O-N 2.89Å; N125-H127 PolarHBondContact O-CE1 3.3Å; N125-H127 VanDerWaalsContact O-CE1 3.28Å; N125-H127 PolarHBondContact O-N 3.48Å; N125-H127 PolarHBondContact O-ND1 3.37Å
126	I	86.1	Confident	88.8	Confident	55 Å²	55	86.3 Å²	86.3	28%	0.282	44%	0.444	S	S	.	.			trans	-85.9	116.3	-178	-70.2	-176.6	0	0	0	109.5	Y123 S128 S131 L132	Y123-I126 HydrophobicContact CD1-CD1 3.77Å; Y123-I126 HydrophobicContact CG-CD1 4.02Å; Y123-I126 VanDerWaalsContact O-CG1 3.31Å; Y123-I126 WeakPolarHBondContact O-CG1 3.49Å; I126-S128 VanDerWaalsContact CG2-O 3.24Å; I126-S128 WeakPolarHBondContact CG2-O 3.35Å; I126-S131 VanDerWaalsContact CG2-OG 3.27Å; I126-S131 WeakPolarHBondContact CG2-OG 3.46Å; I126-L132 HydrophobicContact CD1-CD2 3.16Å; I126-L132 HydrophobicContact CD1-CG 3.66Å; I126-L132 HydrophobicContact CG2-CD1 4.49Å; I126-L132 HydrophobicContact CG2-CD2 4.46Å; I126-L132 HydrophobicContact CG2-CG 3.92Å
127	H	82.2	Confident	88.6	Confident	176 Å²	176	86.1 Å²	86.1	82%	0.815	44%	0.444	S	S	*	.			trans	-87.2	-15.7	-175	-62.8	74	0	0	0	112.8	N125	N125-H127 PolarHBondContact O-CE1 3.3Å; N125-H127 VanDerWaalsContact O-CE1 3.28Å; N125-H127 PolarHBondContact O-N 3.48Å; N125-H127 PolarHBondContact O-ND1 3.37Å
128	S	85.1	Confident	88.5	Confident	54 Å²	54	88 Å²	88	38%	0.378	45%	0.45	S	S	.	.	S	Bend	trans	-158.2	156.6	-179.4	72.6	0	0	0	0	112.3	I126 S130 S131	I126-S128 VanDerWaalsContact CG2-O 3.24Å; I126-S128 WeakPolarHBondContact CG2-O 3.35Å; S128-S130 PolarHBondContact O-N 3.35Å; S128-S130 PolarHBondContact OG-OG 2.56Å; S128-S131 PolarHBondContact N-OG 3.41Å; S128-S131 PolarHBondContact O-N 2.81Å; S128-S131 PolarHBondContact O-OG 3.23Å
129	R	82.3	Confident	88.4	Confident	228 Å²	228	91 Å²	91	86%	0.86	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-56.5	-35.8	175.4	-176.8	-179.8	179.5	-173.2	1.2	113.1	S131 L132	R129-S131 PolarHBondContact O-N 2.73Å; R129-L132 PolarHBondContact O-N 3.29Å
130	S	85.4	Confident	88.3	Confident	114 Å²	114	89.4 Å²	89.4	80%	0.797	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.6	-179.6	51.9	0	0	0	0	113.6	S128	S128-S130 PolarHBondContact O-N 3.35Å; S128-S130 PolarHBondContact OG-OG 2.56Å
131	S	85.6	Confident	88.3	Confident	61 Å²	61	88.2 Å²	88.2	43%	0.427	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-88.5	-7.2	175.9	64.1	0	0	0	0	114	I126 S128 R129	I126-S131 VanDerWaalsContact CG2-OG 3.27Å; I126-S131 WeakPolarHBondContact CG2-OG 3.46Å; S128-S131 PolarHBondContact N-OG 3.41Å; S128-S131 PolarHBondContact O-N 2.81Å; S128-S131 PolarHBondContact O-OG 3.23Å; R129-S131 PolarHBondContact O-N 2.73Å
132	L	86.9	Confident	88.4	Confident	54 Å²	54	93.4 Å²	93.4	28%	0.283	48%	0.483	S	S	.	.	S	Bend	trans	-74	129.6	172.8	-82.7	160.4	0	0	0	110.9	W118 Y123 I126 R129	W118-L132 HydrophobicContact CH2-CD2 4Å; W118-L132 HydrophobicContact CZ2-CD2 4.09Å; Y123-L132 HydrophobicContact CD1-CD2 4.47Å; Y123-L132 HydrophobicContact CG-CD2 4.47Å; I126-L132 HydrophobicContact CD1-CD2 3.16Å; I126-L132 HydrophobicContact CD1-CG 3.66Å; I126-L132 HydrophobicContact CG2-CD1 4.49Å; I126-L132 HydrophobicContact CG2-CD2 4.46Å; I126-L132 HydrophobicContact CG2-CG 3.92Å; R129-L132 PolarHBondContact O-N 3.29Å
133	P	87.6	Confident	88.5	Confident	65 Å²	65	93.2 Å²	93.2	42%	0.422	49%	0.488	S	S	.	.			trans	-60.7	146.6	170.9	-23.1	34.3	0	0	0	111.9	Y123 K135 S136	Y123-P133 HydrophobicContact CE1-CG 4.06Å; P133-K135 PolarHBondContact O-N 2.88Å; P133-S136 VanDerWaalsContact O-CB 3.24Å; P133-S136 WeakPolarHBondContact O-CB 3.44Å; P133-S136 PolarHBondContact O-N 3.14Å; P133-S136 PolarHBondContact O-OG 3.06Å
134	E	85.6	Confident	88.7	Confident	192 Å²	192	92.5 Å²	92.5	90%	0.897	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.4	-178.9	-170	177.2	-167.3	0	0	113.6
135	K	87.1	Confident	89	Confident	147 Å²	147	93.1 Å²	93.1	64%	0.639	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	15.2	-179	-59.7	-176.6	-177.7	178.2	0	113.8	P133 M137	P133-K135 PolarHBondContact O-N 2.88Å; K135-M137 PolarHBondContact O-N 2.7Å
136	S	89.1	Confident	89.4	Confident	5 Å²	5	88.1 Å²	88.1	4%	0.035	46%	0.462	C	S	.	.	S	Bend	trans	-76.6	-10.3	179.6	71.5	0	0	0	0	113.7	V114 W118 P133	V114-S136 WeakPolarHBondContact CG1-O 3.36Å; W118-S136 PolarHBondContact NE1-O 3.09Å; P133-S136 VanDerWaalsContact O-CB 3.24Å; P133-S136 WeakPolarHBondContact O-CB 3.44Å; P133-S136 PolarHBondContact O-N 3.14Å; P133-S136 PolarHBondContact O-OG 3.06Å
137	M	91.2	Very high	89.8	Confident	110 Å²	110	89.9 Å²	89.9	54%	0.542	47%	0.469	S	S	.	.			trans	-119.4	145.5	-177	-64.6	-57.8	-59.7	0	0	111	W118 K135 W145	W118-M137 HydrophobicContact CZ2-SD 4.15Å; K135-M137 PolarHBondContact O-N 2.7Å; M137-W145 HydrophobicContact CE-CH2 3.31Å; M137-W145 HydrophobicContact CE-CZ2 3.2Å; M137-W145 HydrophobicContact CE-CZ3 4.14Å; M137-W145 HydrophobicContact SD-CH2 3.71Å; M137-W145 HydrophobicContact SD-CZ2 4.2Å; M137-W145 HydrophobicContact SD-CZ3 4.44Å
138	Y	92.4	Very high	90.4	Very high	78 Å²	78	81.7 Å²	81.7	31%	0.306	43%	0.432	S	S	.	.			trans	-142.8	145.8	171.5	-173.9	-96.8	0	0	0	109.3	W110 K111 M140 W145	W110-Y138 HydrophobicContact CB-CD2 3.63Å; W110-Y138 HydrophobicContact CB-CE2 3.31Å; W110-Y138 HydrophobicContact CB-CG 4.42Å; W110-Y138 HydrophobicContact CG-CE2 4.18Å; K111-Y138 HydrophobicContact CB-CD1 3.88Å; K111-Y138 HydrophobicContact CB-CE1 3.72Å; K111-Y138 HydrophobicContact CG-CD1 4.3Å; K111-Y138 HydrophobicContact CG-CE1 4.4Å; Y138-M140 HydrophobicContact CD1-CE 4.3Å; Y138-M140 HydrophobicContact CD1-CG 4.11Å; Y138-M140 WeakPolarHBondContact O-CG 3.38Å; Y138-M140 PolarHBondContact O-N 3.05Å; Y138-M140 VanDerWaalsContact O-N 3.08Å; Y138-W145 WeakPolarHBondContact O-CZ2 3.35Å
139	P	92.8	Very high	90.8	Very high	112 Å²	112	84.4 Å²	84.4	73%	0.727	44%	0.441	S	S	*	.			trans	-59.7	114.2	175.2	-23.7	34.9	0	0	0	111.1
140	M	93	Very high	91.4	Very high	25 Å²	25	79.5 Å²	79.5	12%	0.123	43%	0.428	C	S	.	.			trans	-135.1	156.3	175.5	-49	-172.3	-165.7	0	0	109.7	K111 V114 K115 Y138 T144 W145 I148	K111-M140 HydrophobicContact CD-CG 4.44Å; K111-M140 HydrophobicContact CG-CE 4.05Å; K111-M140 HydrophobicContact CG-CG 4.03Å; K111-M140 HydrophobicContact CG-SD 3.9Å; K111-M140 VanDerWaalsContact O-CE 3.24Å; K111-M140 WeakPolarHBondContact O-CE 3.36Å; V114-M140 HydrophobicContact CB-CE 3.71Å; V114-M140 HydrophobicContact CG1-CE 3.63Å; K115-M140 HydrophobicContact CB-CE 4.24Å; Y138-M140 HydrophobicContact CD1-CE 4.3Å; Y138-M140 HydrophobicContact CD1-CG 4.11Å; Y138-M140 WeakPolarHBondContact O-CG 3.38Å; Y138-M140 PolarHBondContact O-N 3.05Å; Y138-M140 VanDerWaalsContact O-N 3.08Å; M140-T144 HydrophobicContact CB-CG2 4.1Å; M140-T144 HydrophobicContact CG-CG2 4.38Å; M140-T144 HydrophobicContact SD-CG2 3.5Å; M140-T144 VanDerWaalsContact SD-CG2 3.5Å; M140-W145 HydrophobicContact CG-CZ2 4.38Å; M140-W145 HydrophobicContact SD-CZ2 4.47Å; M140-I148 HydrophobicContact SD-CD1 4.33Å
141	D	93	Very high	91.8	Very high	52 Å²	52	75.8 Å²	75.8	28%	0.278	40%	0.404	S	S	.	.			trans	-68.6	162.7	174.4	54.5	81.5	0	0	0	112.3	R89 K111 D143 T144 W145	R89-D141 IonicContact CZ-OD2 2.87Å; R89-D141 VanDerWaalsContact NH2-CG 3.35Å; R89-D141 IonicContact NH2-OD1 3.36Å; R89-D141 PolarHBondContact NH2-OD1 2.86Å; R89-D141 VanDerWaalsContact NH2-OD1 3.16Å; R89-D141 IonicContact NH2-OD2 2.99Å; R89-D141 PolarHBondContact NH2-OD2 3.47Å; K111-D141 IonicContact NZ-OD2 3.16Å; K111-D141 PolarHBondContact NZ-OD2 3.34Å; D141-D143 VanDerWaalsContact C-N 3.26Å; D141-D143 PolarHBondContact O-N 3.45Å; D141-D143 PolarHBondContact OD1-N 3.5Å; D141-T144 PolarHBondContact O-N 3.28Å; D141-T144 WeakPolarHBondContact OD1-CB 3.19Å; D141-T144 PolarHBondContact OD1-N 3.11Å; D141-T144 PolarHBondContact OD1-OG1 2.95Å; D141-T144 PolarHBondContact OD2-OG1 3.18Å; D141-W145 PolarHBondContact O-N 3.15Å; D141-W145 VanDerWaalsContact O-N 3.14Å
142	V	94.4	Very high	92.1	Very high	125 Å²	125	75.8 Å²	75.8	76%	0.758	40%	0.397	S	S	*	.	H	α-helix	trans	-58.4	-40.3	-177.6	175.2	0	0	0	0	111.1	T144 W145 G146	V142-T144 PolarHBondContact O-N 2.94Å; V142-W145 PolarHBondContact O-N 2.89Å; V142-G146 PolarHBondContact O-N 2.88Å
143	D	93.9	Very high	92.4	Very high	113 Å²	113	80.4 Å²	80.4	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-63.2	-44.8	-179.6	-54	-41.1	0	0	0	110.8	D141 W145 G146 E147	D141-D143 VanDerWaalsContact C-N 3.26Å; D141-D143 PolarHBondContact O-N 3.45Å; D141-D143 PolarHBondContact OD1-N 3.5Å; D143-W145 PolarHBondContact O-N 3.17Å; D143-G146 WeakPolarHBondContact O-CA 3.45Å; D143-G146 PolarHBondContact O-N 3Å; D143-G146 VanDerWaalsContact O-N 3.14Å; D143-E147 PolarHBondContact O-N 3.5Å
144	T	94.3	Very high	92.6	Very high	0 Å²	0	84.8 Å²	84.8	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-62.8	-41.5	178.3	-52.2	0	0	0	0	112.3	R89 K111 K115 M140 D141 V142 G146 I148	R89-T144 PolarHBondContact NH2-OG1 3.46Å; R89-T144 VanDerWaalsContact NH2-OG1 3.17Å; K111-T144 PolarHBondContact NZ-OG1 3.37Å; K115-T144 HydrophobicContact CD-CG2 3.95Å; M140-T144 HydrophobicContact CB-CG2 4.1Å; M140-T144 HydrophobicContact CG-CG2 4.38Å; M140-T144 HydrophobicContact SD-CG2 3.5Å; M140-T144 VanDerWaalsContact SD-CG2 3.5Å; D141-T144 PolarHBondContact O-N 3.28Å; D141-T144 WeakPolarHBondContact OD1-CB 3.19Å; D141-T144 PolarHBondContact OD1-N 3.11Å; D141-T144 PolarHBondContact OD1-OG1 2.95Å; D141-T144 PolarHBondContact OD2-OG1 3.18Å; V142-T144 PolarHBondContact O-N 2.94Å; T144-G146 VanDerWaalsContact C-N 3.34Å; T144-I148 WeakPolarHBondContact O-CG1 3.33Å; T144-I148 PolarHBondContact O-N 3.3Å
145	W	95.1	Very high	92.6	Very high	51 Å²	51	84.5 Å²	84.5	19%	0.193	43%	0.427	C	S	.	.	H	α-helix	trans	-68.6	-35.3	174.5	-79.2	116.3	0	0	0	112	V114 W118 M137 Y138 M140 D141 V142 D143 I148 L149	V114-W145 HydrophobicContact CG1-CH2 4.43Å; W118-W145 AromaticContact NE1-CH2 3.9Å; W118-W145 AromaticContact NE1-CZ3 3.91Å; M137-W145 HydrophobicContact CE-CH2 3.31Å; M137-W145 HydrophobicContact CE-CZ2 3.2Å; M137-W145 HydrophobicContact CE-CZ3 4.14Å; M137-W145 HydrophobicContact SD-CH2 3.71Å; M137-W145 HydrophobicContact SD-CZ2 4.2Å; M137-W145 HydrophobicContact SD-CZ3 4.44Å; Y138-W145 WeakPolarHBondContact O-CZ2 3.35Å; M140-W145 HydrophobicContact CG-CZ2 4.38Å; M140-W145 HydrophobicContact SD-CZ2 4.47Å; D141-W145 PolarHBondContact O-N 3.15Å; D141-W145 VanDerWaalsContact O-N 3.14Å; V142-W145 PolarHBondContact O-N 2.89Å; D143-W145 PolarHBondContact O-N 3.17Å; W145-I148 HydrophobicContact CE3-CD1 3.81Å; W145-I148 HydrophobicContact CZ3-CD1 3.89Å; W145-I148 PolarHBondContact O-N 2.81Å; W145-L149 WeakPolarHBondContact O-CG 3.11Å; W145-L149 PolarHBondContact O-N 2.64Å
146	G	95.1	Very high	92.9	Very high	33 Å²	33	81.4 Å²	81.4	34%	0.34	42%	0.417	S	S	.	.	H	α-helix	trans	-57.4	-50	173.2	0	0	0	0	0	112	V142 D143 T144 I148 L149 E150	V142-G146 PolarHBondContact O-N 2.88Å; D143-G146 WeakPolarHBondContact O-CA 3.45Å; D143-G146 PolarHBondContact O-N 3Å; D143-G146 VanDerWaalsContact O-N 3.14Å; T144-G146 VanDerWaalsContact C-N 3.34Å; G146-I148 VanDerWaalsContact C-N 3.28Å; G146-I148 PolarHBondContact O-N 2.73Å; G146-L149 PolarHBondContact O-N 2.89Å; G146-E150 WeakPolarHBondContact O-CB 3.33Å; G146-E150 PolarHBondContact O-N 2.93Å
147	E	94.1	Very high	93.1	Very high	92 Å²	92	85.4 Å²	85.4	43%	0.43	44%	0.437	S	S	.	.	H	α-helix	trans	-55.2	-42.1	175.9	-70.5	173.6	-159.4	0	0	112.5	K115 D143 A151	K115-E147 WeakPolarHBondContact CE-OE2 3.47Å; K115-E147 IonicContact NZ-OE2 2.67Å; K115-E147 PolarHBondContact NZ-OE2 2.97Å; D143-E147 PolarHBondContact O-N 3.5Å; E147-A151 WeakPolarHBondContact O-CB 3.27Å; E147-A151 PolarHBondContact O-N 2.69Å; E147-A151 VanDerWaalsContact O-N 3.11Å
148	I	95.1	Very high	93.2	Very high	5 Å²	5	84.1 Å²	84.1	3%	0.026	43%	0.431	C	S	.	.	H	α-helix	trans	-66.5	-45.7	178.9	-68.9	167.8	0	0	0	111	K115 W118 L119 M140 T144 W145 G146 A151 E152	K115-I148 HydrophobicContact CB-CD1 4.25Å; K115-I148 HydrophobicContact CG-CD1 3.96Å; K115-I148 HydrophobicContact CG-CG1 4.05Å; W118-I148 HydrophobicContact CB-CD1 4.44Å; W118-I148 HydrophobicContact CB-CG2 3.54Å; W118-I148 HydrophobicContact CD2-CG2 4.35Å; W118-I148 HydrophobicContact CE3-CG2 4.48Å; W118-I148 HydrophobicContact CG-CG2 3.99Å; L119-I148 HydrophobicContact CD2-CG1 4.43Å; M140-I148 HydrophobicContact SD-CD1 4.33Å; T144-I148 WeakPolarHBondContact O-CG1 3.33Å; T144-I148 PolarHBondContact O-N 3.3Å; W145-I148 HydrophobicContact CE3-CD1 3.81Å; W145-I148 HydrophobicContact CZ3-CD1 3.89Å; W145-I148 PolarHBondContact O-N 2.81Å; G146-I148 VanDerWaalsContact C-N 3.28Å; G146-I148 PolarHBondContact O-N 2.73Å; I148-A151 PolarHBondContact O-N 2.65Å; I148-E152 PolarHBondContact O-N 2.99Å; I148-E152 VanDerWaalsContact O-N 3.15Å
149	L	93.3	Very high	93.3	Very high	111 Å²	111	84.4 Å²	84.4	58%	0.581	44%	0.438	S	S	*	.	H	α-helix	trans	-67.8	-38.5	-178.1	-70.8	171.2	0	0	0	111.7	W145 G146 E152 L153	W145-L149 WeakPolarHBondContact O-CG 3.11Å; W145-L149 PolarHBondContact O-N 2.64Å; G146-L149 PolarHBondContact O-N 2.89Å; L149-E152 PolarHBondContact O-N 3.05Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.84Å; L149-L153 VanDerWaalsContact O-N 3.08Å
150	E	95	Very high	93.3	Very high	125 Å²	125	82.7 Å²	82.7	58%	0.584	42%	0.42	S	S	*	.	H	α-helix	trans	-65.1	-44.7	176.2	-170.6	140.4	-140.6	0	0	111.2	G146 E152 L153 E154	G146-E150 WeakPolarHBondContact O-CB 3.33Å; G146-E150 PolarHBondContact O-N 2.93Å; E150-E152 PolarHBondContact O-N 2.73Å; E150-L153 PolarHBondContact O-N 2.89Å; E150-L153 VanDerWaalsContact O-N 3.08Å; E150-E154 WeakPolarHBondContact O-CG 3.43Å; E150-E154 PolarHBondContact O-N 2.98Å; E150-E154 VanDerWaalsContact O-N 3.12Å
151	A	93.9	Very high	93.3	Very high	35 Å²	35	86.5 Å²	86.5	29%	0.289	44%	0.44	S	S	.	.	H	α-helix	trans	-60.7	-27.2	174.2	0	0	0	0	0	113.7	L119 E147 I148	L119-A151 HydrophobicContact CD2-CB 3.56Å; E147-A151 WeakPolarHBondContact O-CB 3.27Å; E147-A151 PolarHBondContact O-N 2.69Å; E147-A151 VanDerWaalsContact O-N 3.11Å; I148-A151 PolarHBondContact O-N 2.65Å
152	E	92.1	Very high	93.3	Very high	62 Å²	62	89 Å²	89	29%	0.29	45%	0.452	S	S	.	.	H	α-helix	trans	-79.5	-33.3	175.3	-170.8	63.4	-171.8	0	0	112.4	S124 I148 L149 E150 E154 R155	S124-E152 VanDerWaalsContact CA-OE1 3.31Å; S124-E152 WeakPolarHBondContact CA-OE1 3.27Å; S124-E152 WeakPolarHBondContact CB-OE1 3.43Å; S124-E152 VanDerWaalsContact OG-CD 3.31Å; S124-E152 PolarHBondContact OG-OE1 3.21Å; S124-E152 PolarHBondContact OG-OE2 3.32Å; I148-E152 PolarHBondContact O-N 2.99Å; I148-E152 VanDerWaalsContact O-N 3.15Å; L149-E152 PolarHBondContact O-N 3.05Å; E150-E152 PolarHBondContact O-N 2.73Å; E152-E154 VanDerWaalsContact C-N 3.33Å; E152-R155 IonicContact OE2-NE 3.58Å
153	L	91.3	Very high	93.3	Very high	151 Å²	151	86.2 Å²	86.2	79%	0.791	43%	0.428	S	S	*	.	H	α-helix	trans	-69.9	-30.2	175.7	-72.1	171.2	0	0	0	112.8	L149 E150 R155	L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.84Å; L149-L153 VanDerWaalsContact O-N 3.08Å; E150-L153 PolarHBondContact O-N 2.89Å; E150-L153 VanDerWaalsContact O-N 3.08Å; L153-R155 VanDerWaalsContact C-N 3.3Å
154	E	92.2	Very high	93.2	Very high	157 Å²	157	84 Å²	84	73%	0.734	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.1	-179.8	-69.4	-176	162.8	0	0	114.4	E150 E152	E150-E154 WeakPolarHBondContact O-CG 3.43Å; E150-E154 PolarHBondContact O-N 2.98Å; E150-E154 VanDerWaalsContact O-N 3.12Å; E152-E154 VanDerWaalsContact C-N 3.33Å
155	R	86.9	Confident	93.1	Very high	186 Å²	186	91.6 Å²	91.6	70%	0.702	45%	0.451	S	S	*	.			trans	-84	0	-174.1	-168.1	-173	-72.1	-94	-2.8	113.1	L119 E152 L153	L119-R155 PolarHBondContact O-NH2 3.21Å; E152-R155 IonicContact OE2-NE 3.58Å; L153-R155 VanDerWaalsContact C-N 3.3Å

Retrieved 155 of 155 residues in 84.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).