A0A3Q0KMC6_SCHMA Loading...

Cornifelin homolog B-like

AlphaFold DB , UniProt , Accession A0A3Q0KMC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 117 aa.

						>A0A3Q0KMC6_SCHMA|A0A3Q0KMC6
MENSSPVVQQPTSIQRQTSEREWSSGLCACFDDLPTCCLVLFCPHCYMCYLYNKEGESCWIPVCGAGILPLRIKHRIMHEIMGTLMNDVCTTCFCGQLAICQLKRDIDYTKSIRMEI
					

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(Predicted Aligned Error values between residue pairs)

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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	53.8	Low	68.5	Low	247 Å²	247	146.8 Å²	146.8	100%	1.217	81%	0.813	S	S	*	*				0	89.1	0	-64.5	171.4	97.3	0	0	106.1	N3	M1-N3 PolarHBondContact O-N 3.41Å
2	E	64.5	Low	68.1	Low	196 Å²	196	145 Å²	145	92%	0.916	81%	0.809	S	S	*	*			trans	-87.9	106.6	-175.9	-156	154.2	123.1	0	0	108	S4	E2-S4 PolarHBondContact O-N 2.91Å; E2-S4 VanDerWaalsContact O-N 3.16Å
3	N	68.2	Low	67.6	Low	141 Å²	141	141.5 Å²	141.5	75%	0.754	80%	0.801	S	S	*	*			trans	-81.8	89.2	-173.8	-174.7	50.2	0	0	0	109.9	M1 S5	M1-N3 PolarHBondContact O-N 3.41Å; N3-S5 PolarHBondContact ND2-OG 3.41Å; N3-S5 PolarHBondContact O-N 3.16Å
4	S	71.6	Confident	67	Low	112 Å²	112	142.1 Å²	142.1	78%	0.783	80%	0.798	S	S	*	*			trans	-74.7	85.3	172.4	42.3	0	0	0	0	110.3	E2	E2-S4 PolarHBondContact O-N 2.91Å; E2-S4 VanDerWaalsContact O-N 3.16Å
5	S	69	Low	66.3	Low	82 Å²	82	143.7 Å²	143.7	57%	0.573	80%	0.797	S	S	*	*			trans	-69.8	131.4	171.8	-60.4	0	0	0	0	109.9	N3 V7	N3-S5 PolarHBondContact ND2-OG 3.41Å; N3-S5 PolarHBondContact O-N 3.16Å; S5-V7 PolarHBondContact O-N 3.04Å
6	P	74.6	Confident	65.7	Low	115 Å²	115	147.6 Å²	147.6	75%	0.747	80%	0.796	S	S	*	*			trans	-71.6	129.2	179.4	27.8	-32.8	0	0	0	110.7	V8	P6-V8 PolarHBondContact O-N 3.11Å
7	V	73.6	Confident	65.2	Low	138 Å²	138	149.7 Å²	149.7	84%	0.836	80%	0.799	S	S	*	*			trans	-73.9	106.2	171	178.1	0	0	0	0	108.2	S5 Q9	S5-V7 PolarHBondContact O-N 3.04Å; V7-Q9 PolarHBondContact O-N 3.27Å
8	V	76.3	Confident	65	Low	121 Å²	121	143.7 Å²	143.7	73%	0.733	77%	0.769	S	S	*	*			trans	-74.7	102.3	169.8	177	0	0	0	0	107.6	P6 Q10	P6-V8 PolarHBondContact O-N 3.11Å; V8-Q10 PolarHBondContact O-N 3.47Å
9	Q	68.9	Low	65.8	Low	180 Å²	180	141.9 Å²	141.9	84%	0.841	77%	0.769	S	S	*	*			trans	-63.3	109.2	167.7	-83.4	179.6	-48.9	0	0	108.2	V7	V7-Q9 PolarHBondContact O-N 3.27Å
10	Q	70.8	Confident	66.9	Low	163 Å²	163	139.9 Å²	139.9	76%	0.762	75%	0.754	S	S	*	*			trans	-64.2	141.2	169.1	-70.3	-169.5	-40.4	0	0	108.7	V8 T12	V8-Q10 PolarHBondContact O-N 3.47Å; Q10-T12 PolarHBondContact O-N 3.32Å
11	P	62.7	Low	68.3	Low	120 Å²	120	136 Å²	136	78%	0.779	73%	0.729	S	S	*	*			trans	-57.3	115.8	169.2	23.2	-29.8	0	0	0	106.9	S13	P11-S13 PolarHBondContact O-N 3.3Å
12	T	63.2	Low	70.3	Confident	125 Å²	125	131.5 Å²	131.5	77%	0.767	70%	0.704	S	S	*	*			trans	-44.8	122.3	166.5	-55.8	0	0	0	0	105.9	Q10 I14	Q10-T12 PolarHBondContact O-N 3.32Å; T12-I14 PolarHBondContact O-N 2.88Å
13	S	61	Low	71.9	Confident	100 Å²	100	123.7 Å²	123.7	70%	0.699	67%	0.667	S	S	*	*			trans	-46.5	109.6	175.7	52.2	0	0	0	0	106.1	P11 Q15	P11-S13 PolarHBondContact O-N 3.3Å; S13-Q15 PolarHBondContact O-N 3.32Å
14	I	59.8	Low	73.3	Confident	150 Å²	150	119.3 Å²	119.3	77%	0.769	65%	0.647	S	S	*	*			trans	-63.3	95.6	172.3	-60.6	173.6	0	0	0	101.7	T12 R16	T12-I14 PolarHBondContact O-N 2.88Å; I14-R16 PolarHBondContact O-N 3.35Å
15	Q	57.2	Low	74.5	Confident	165 Å²	165	114.7 Å²	114.7	77%	0.771	62%	0.615	S	S	*	*			trans	-54.4	103.7	156.9	-96.6	-175.5	-45.4	0	0	101.4	S13 Q17	S13-Q15 PolarHBondContact O-N 3.32Å; Q15-Q17 PolarHBondContact O-N 3.19Å
16	R	56.3	Low	75.8	Confident	207 Å²	207	113 Å²	113	78%	0.781	61%	0.611	S	S	*	*			trans	-55.5	95.4	166.5	-92.9	-173.2	177.2	104.7	-2.1	103.2	I14 T18	I14-R16 PolarHBondContact O-N 3.35Å; R16-T18 HydrophobicContact CB-CG2 3.97Å; R16-T18 HydrophobicContact CG-CG2 4.18Å; R16-T18 PolarHBondContact O-N 2.83Å; R16-T18 PolarHBondContact O-OG1 3.18Å
17	Q	56.4	Low	76.9	Confident	183 Å²	183	109.6 Å²	109.6	86%	0.855	59%	0.586	S	S	*	*			trans	-72	45.6	157	-69.7	-176.3	-25.9	0	0	107	Q15 S19	Q15-Q17 PolarHBondContact O-N 3.19Å; Q17-S19 PolarHBondContact O-N 3.41Å
18	T	61.5	Low	77.9	Confident	42 Å²	42	107.4 Å²	107.4	26%	0.258	58%	0.576	S	S	.	*			trans	-58.7	119.1	151.3	46.2	0	0	0	0	103	R16 E20 E80	R16-T18 HydrophobicContact CB-CG2 3.97Å; R16-T18 HydrophobicContact CG-CG2 4.18Å; R16-T18 PolarHBondContact O-N 2.83Å; R16-T18 PolarHBondContact O-OG1 3.18Å; T18-E20 PolarHBondContact O-N 3.34Å; T18-E80 WeakPolarHBondContact CB-OE2 3.29Å; T18-E80 WeakPolarHBondContact CG2-OE1 3.24Å
19	S	81.2	Confident	78.8	Confident	110 Å²	110	102.7 Å²	102.7	77%	0.769	55%	0.549	S	S	*	.			trans	-63	86.4	173.7	51.7	0	0	0	0	106.5	Q17 R21	Q17-S19 PolarHBondContact O-N 3.41Å; S19-R21 PolarHBondContact O-N 3.15Å
20	E	88	Confident	79.8	Confident	100 Å²	100	95.5 Å²	95.5	47%	0.467	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-56.3	132.5	176.7	-65.6	-174.5	136.7	0	0	107.1	T18 E80 M82	T18-E20 PolarHBondContact O-N 3.34Å; E20-E80 CarbonylContact C-O 3.44Å; E20-E80 WeakPolarHBondContact CA-O 3.46Å; E20-E80 WeakPolarHBondContact CB-O 3.17Å; E20-M82 HydrophobicContact CB-CB 4.47Å; E20-M82 HydrophobicContact CB-CG 3.37Å; E20-M82 HydrophobicContact CB-SD 4.48Å; E20-M82 HydrophobicContact CG-CG 4.45Å
21	R	94.7	Very high	80.8	Confident	60 Å²	60	96.2 Å²	96.2	23%	0.226	52%	0.52	C	S	.	.	B	Isolated β-bridge	trans	-95.7	163.1	177.6	65.8	161.2	-178.6	98.6	-10.9	110.7	S19 H79 E80 I81 M82 D106 T110	S19-R21 PolarHBondContact O-N 3.15Å; R21-H79 PolarHBondContact NE-O 3.36Å; R21-E80 PolarHBondContact N-O 3.22Å; R21-I81 HydrophobicContact CG-CG1 4.23Å; R21-I81 VanDerWaalsContact NH2-CD1 3.34Å; R21-I81 CarbonylContact O-C 3.44Å; R21-I81 VanDerWaalsContact O-CA 3.25Å; R21-I81 WeakPolarHBondContact O-CA 3.42Å; R21-M82 PolarHBondContact O-N 3.09Å; R21-D106 IonicContact CZ-OD1 3.8Å; R21-D106 IonicContact CZ-OD2 2.66Å; R21-D106 IonicContact NH1-OD1 3.9Å; R21-D106 PolarHBondContact NH1-OD1 3.44Å; R21-D106 IonicContact NH1-OD2 3.57Å; R21-D106 PolarHBondContact NH1-OD2 3.19Å; R21-D106 IonicContact NH2-OD1 2.72Å; R21-D106 IonicContact NH2-OD2 3.52Å; R21-D106 PolarHBondContact NH2-OD2 3.28Å; R21-T110 PolarHBondContact NH2-OG1 3.46Å
22	E	96.7	Very high	82.3	Confident	151 Å²	151	96.2 Å²	96.2	71%	0.706	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-79.3	167.7	165.9	-63.7	-171.6	174.8	0	0	111.2
23	W	98	Very high	83.7	Confident	33 Å²	33	91.7 Å²	91.7	13%	0.125	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-58	141.8	163.4	-66	90.9	0	0	0	109	S25 R72 H75 R76 I81 Q102 L103 D106	W23-S25 WeakPolarHBondContact CB-O 3.39Å; W23-S25 PolarHBondContact O-N 3.13Å; W23-R72 HydrophobicContact CH2-CG 3.73Å; W23-R72 HydrophobicContact CZ2-CG 3.91Å; W23-H75 AromaticContact CZ3-CD2 3.72Å; W23-R76 HydrophobicContact CH2-CB 4.34Å; W23-R76 HydrophobicContact CZ2-CB 4.11Å; W23-R76 HydrophobicContact CZ2-CG 4.19Å; W23-I81 HydrophobicContact CD2-CD1 4.11Å; W23-I81 HydrophobicContact CD2-CG2 3.85Å; W23-I81 HydrophobicContact CE3-CD1 3.79Å; W23-I81 HydrophobicContact CG-CG2 3.85Å; W23-I81 HydrophobicContact CH2-CD1 4.11Å; W23-I81 HydrophobicContact CZ2-CD1 4.42Å; W23-I81 HydrophobicContact CZ2-CG2 4.29Å; W23-I81 HydrophobicContact CZ3-CD1 3.79Å; W23-Q102 HydrophobicContact CD2-CG 4.3Å; W23-Q102 HydrophobicContact CE3-CG 4.17Å; W23-Q102 HydrophobicContact CG-CG 4.47Å; W23-L103 HydrophobicContact CH2-CD1 4.32Å; W23-L103 HydrophobicContact CZ3-CD1 4.09Å; W23-D106 HydrophobicContact CE3-CB 3.67Å; W23-D106 HydrophobicContact CZ3-CB 3.95Å
24	S	96.9	Very high	85.3	Confident	48 Å²	48	91 Å²	91	34%	0.336	47%	0.472	S	S	.	.	S	Bend	trans	-56.5	-20.4	176.9	52	0	0	0	0	114.4	D106 Y109	S24-D106 WeakPolarHBondContact CB-OD1 3.24Å; S24-D106 PolarHBondContact N-OD1 3.05Å; S24-D106 VanDerWaalsContact OG-CA 3.26Å; S24-D106 WeakPolarHBondContact OG-CA 3.43Å; S24-D106 WeakPolarHBondContact OG-CB 3.42Å; S24-D106 PolarHBondContact OG-OD1 3.01Å; S24-Y109 VanDerWaalsContact CB-CG 3.42Å
25	S	97.6	Very high	87.1	Confident	16 Å²	16	88.3 Å²	88.3	11%	0.112	46%	0.464	C	S	.	.	S	Bend	trans	-150.4	156.4	176.6	58.9	0	0	0	0	111.3	W23 Q102 R105	W23-S25 WeakPolarHBondContact CB-O 3.39Å; W23-S25 PolarHBondContact O-N 3.13Å; S25-Q102 PolarHBondContact O-NE2 3.32Å; S25-R105 PolarHBondContact OG-NE 3.35Å
26	G	96.8	Very high	88.9	Confident	47 Å²	47	80.8 Å²	80.8	49%	0.485	43%	0.429	S	S	.	.			trans	-63.4	160.8	171.9	0	0	0	0	0	112.5	C28 A29 R105	G26-C28 VanDerWaalsContact C-N 3.33Å; G26-C28 PolarHBondContact O-N 3.38Å; G26-A29 WeakPolarHBondContact O-CB 3.47Å; G26-A29 PolarHBondContact O-N 3.37Å; G26-R105 PolarHBondContact O-NH2 3.46Å
27	L	97.2	Very high	90.8	Very high	42 Å²	42	71.3 Å²	71.3	22%	0.22	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-45.1	-179.1	-175.1	63.1	0	0	0	111.9	A29 T91 C95 L98 A99 Q102 R105	L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.36Å; L27-T91 HydrophobicContact CD1-CG2 3.63Å; L27-T91 HydrophobicContact CD2-CG2 3.81Å; L27-T91 HydrophobicContact CG-CG2 4.39Å; L27-C95 HydrophobicContact CD2-CB 3.85Å; L27-L98 HydrophobicContact CD1-CB 3.79Å; L27-L98 HydrophobicContact CG-CB 3.82Å; L27-L98 HydrophobicContact CG-CD1 4.36Å; L27-A99 HydrophobicContact CD1-CB 4.44Å; L27-Q102 HydrophobicContact CD1-CB 4.21Å; L27-R105 PolarHBondContact O-NH2 2.89Å
28	C	95.3	Very high	92.7	Very high	93 Å²	93	66 Å²	66	63%	0.628	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	17.9	-177	-56.1	0	0	0	0	114.3	G26 C30	G26-C28 VanDerWaalsContact C-N 3.33Å; G26-C28 PolarHBondContact O-N 3.38Å; C28-C30 PolarHBondContact O-N 2.95Å
29	A	95.1	Very high	94.4	Very high	21 Å²	21	68.6 Å²	68.6	17%	0.174	39%	0.389	C	S	.	.			trans	-76	51.1	178.3	0	0	0	0	0	112	G26 L27 F31 D32 R105	G26-A29 WeakPolarHBondContact O-CB 3.47Å; G26-A29 PolarHBondContact O-N 3.37Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.36Å; A29-F31 VanDerWaalsContact C-N 3.26Å; A29-F31 PolarHBondContact O-N 3.43Å; A29-D32 WeakPolarHBondContact CB-OD2 3.33Å; A29-D32 PolarHBondContact O-N 3.03Å; A29-R105 VanDerWaalsContact O-CZ 3.29Å; A29-R105 PolarHBondContact O-NH1 2.69Å; A29-R105 VanDerWaalsContact O-NH1 3.15Å
30	C	89	Confident	95.2	Very high	30 Å²	30	63.4 Å²	63.4	20%	0.203	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-66	-28.2	-171.5	-59.5	0	0	0	0	113.2	C28 D32 D33 L34 C37 L98	C28-C30 PolarHBondContact O-N 2.95Å; C30-D32 VanDerWaalsContact C-N 3.29Å; C30-D33 CarbonylContact O-C 3.48Å; C30-L34 WeakPolarHBondContact O-CA 3.27Å; C30-L34 PolarHBondContact O-N 3.43Å; C30-C37 VanDerWaalsContact CA-SG 3.53Å; C30-C37 HydrophobicContact CB-CB 4.43Å; C30-C37 PolarHBondContact O-SG 2.84Å; C30-L98 WeakPolarHBondContact SG-CD2 3.43Å
31	F	91.7	Very high	95.6	Very high	178 Å²	178	64.8 Å²	64.8	78%	0.781	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-78.2	-14.8	-178.3	-66.2	-80	0	0	0	113.3	A29 D33	A29-F31 VanDerWaalsContact C-N 3.26Å; A29-F31 PolarHBondContact O-N 3.43Å; F31-D33 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 2.92Å
32	D	94.1	Very high	95.7	Very high	119 Å²	119	70.8 Å²	70.8	64%	0.636	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-72.9	-24.1	177.4	-61.6	2.6	0	0	0	111.9	A29 C30	A29-D32 WeakPolarHBondContact CB-OD2 3.33Å; A29-D32 PolarHBondContact O-N 3.03Å; C30-D32 VanDerWaalsContact C-N 3.29Å
33	D	93.9	Very high	95.6	Very high	30 Å²	30	65 Å²	65	16%	0.16	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-146.7	65.8	172.9	-170.5	-8.5	0	0	0	109.7	C30 F31 P35 T36 C37 K104 R105	C30-D33 CarbonylContact O-C 3.48Å; F31-D33 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 2.92Å; D33-P35 VanDerWaalsContact C-CD 3.47Å; D33-T36 WeakPolarHBondContact O-CB 3.23Å; D33-T36 PolarHBondContact O-N 3.12Å; D33-T36 VanDerWaalsContact OD1-CB 3.24Å; D33-T36 WeakPolarHBondContact OD1-CB 3.44Å; D33-T36 PolarHBondContact OD1-N 2.62Å; D33-T36 VanDerWaalsContact OD1-N 3.11Å; D33-T36 PolarHBondContact OD1-OG1 3.21Å; D33-T36 VanDerWaalsContact OD1-OG1 3.04Å; D33-T36 WeakPolarHBondContact OD2-CB 3.37Å; D33-T36 PolarHBondContact OD2-OG1 2.6Å; D33-C37 PolarHBondContact O-N 3.02Å; D33-K104 IonicContact OD2-NZ 2.63Å; D33-K104 PolarHBondContact OD2-NZ 3.24Å; D33-K104 VanDerWaalsContact OD2-NZ 3.12Å; D33-R105 HydrophobicContact CB-CG 4.04Å
34	L	94.6	Very high	95.5	Very high	87 Å²	87	65 Å²	65	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-56.3	-42.3	-179	-174.9	65.4	0	0	0	113.1	C30 T36 C37 C38	C30-L34 WeakPolarHBondContact O-CA 3.27Å; C30-L34 PolarHBondContact O-N 3.43Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-T36 PolarHBondContact O-N 3.47Å; L34-C37 PolarHBondContact O-N 2.82Å; L34-C37 VanDerWaalsContact O-N 3.16Å; L34-C38 PolarHBondContact O-N 2.63Å; L34-C38 PolarHBondContact O-SG 2.69Å; L34-C38 VanDerWaalsContact O-SG 3.41Å
35	P	96.2	Very high	95.3	Very high	92 Å²	92	68.7 Å²	68.7	60%	0.597	38%	0.382	S	S	*	.	H	α-helix	trans	-57.4	-45	175.8	-25.7	36.4	0	0	0	112.7	D33 C38 L39	D33-P35 VanDerWaalsContact C-CD 3.47Å; P35-C38 PolarHBondContact O-N 2.82Å; P35-L39 WeakPolarHBondContact O-CG 3.17Å; P35-L39 PolarHBondContact O-N 3.42Å
36	T	95.9	Very high	95.2	Very high	7 Å²	7	71.6 Å²	71.6	4%	0.043	40%	0.402	C	S	.	.	H	α-helix	trans	-59.7	-47.4	173.7	-74.8	0	0	0	0	111.4	D33 L34 C38 L39 V40 Y47 C101 K104	D33-T36 WeakPolarHBondContact O-CB 3.23Å; D33-T36 PolarHBondContact O-N 3.12Å; D33-T36 VanDerWaalsContact OD1-CB 3.24Å; D33-T36 WeakPolarHBondContact OD1-CB 3.44Å; D33-T36 PolarHBondContact OD1-N 2.62Å; D33-T36 VanDerWaalsContact OD1-N 3.11Å; D33-T36 PolarHBondContact OD1-OG1 3.21Å; D33-T36 VanDerWaalsContact OD1-OG1 3.04Å; D33-T36 WeakPolarHBondContact OD2-CB 3.37Å; D33-T36 PolarHBondContact OD2-OG1 2.6Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-T36 PolarHBondContact O-N 3.47Å; T36-C38 VanDerWaalsContact C-N 3.3Å; T36-C38 PolarHBondContact O-N 3.29Å; T36-L39 PolarHBondContact O-N 3.49Å; T36-L39 VanDerWaalsContact O-N 3.13Å; T36-V40 HydrophobicContact CG2-CG2 4.14Å; T36-V40 WeakPolarHBondContact O-CG2 3.25Å; T36-V40 PolarHBondContact O-N 3.31Å; T36-Y47 HydrophobicContact CG2-CE1 4.01Å; T36-Y47 HydrophobicContact CG2-CE2 4.35Å; T36-Y47 VanDerWaalsContact CG2-OH 3.25Å; T36-Y47 WeakPolarHBondContact CG2-OH 3.34Å; T36-Y47 PolarHBondContact OG1-OH 2.89Å; T36-C101 HydrophobicContact CG2-CB 4.42Å; T36-K104 HydrophobicContact CG2-CB 4.26Å; T36-K104 HydrophobicContact CG2-CG 3.87Å
37	C	95.8	Very high	95.3	Very high	9 Å²	9	70.2 Å²	70.2	6%	0.061	38%	0.382	C	S	.	.	H	α-helix	trans	-59.2	-42.1	179.7	-71.4	0	0	0	0	112.1	C30 D33 L34 V40 L41 C101	C30-C37 VanDerWaalsContact CA-SG 3.53Å; C30-C37 HydrophobicContact CB-CB 4.43Å; C30-C37 PolarHBondContact O-SG 2.84Å; D33-C37 PolarHBondContact O-N 3.02Å; L34-C37 PolarHBondContact O-N 2.82Å; L34-C37 VanDerWaalsContact O-N 3.16Å; C37-V40 PolarHBondContact O-N 3.3Å; C37-L41 WeakPolarHBondContact O-CB 3.32Å; C37-L41 VanDerWaalsContact O-CG 3.27Å; C37-L41 WeakPolarHBondContact O-CG 3.49Å; C37-L41 PolarHBondContact O-N 3.38Å; C37-C101 PolarHBondContact SG-SG 3.15Å
38	C	96.8	Very high	95.3	Very high	70 Å²	70	69 Å²	69	47%	0.473	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-43.1	174.2	-70.9	0	0	0	0	112.4	L34 P35 T36 L41 F42	L34-C38 PolarHBondContact O-N 2.63Å; L34-C38 PolarHBondContact O-SG 2.69Å; L34-C38 VanDerWaalsContact O-SG 3.41Å; P35-C38 PolarHBondContact O-N 2.82Å; T36-C38 VanDerWaalsContact C-N 3.3Å; T36-C38 PolarHBondContact O-N 3.29Å; C38-L41 PolarHBondContact O-N 3.42Å; C38-F42 WeakPolarHBondContact O-CB 3.36Å; C38-F42 PolarHBondContact O-N 3.11Å
39	L	97.7	Very high	95.4	Very high	97 Å²	97	66.2 Å²	66.2	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-40.2	177.9	-70.2	172.3	0	0	0	112.6	P35 T36 F42 C43 Y47	P35-L39 WeakPolarHBondContact O-CG 3.17Å; P35-L39 PolarHBondContact O-N 3.42Å; T36-L39 PolarHBondContact O-N 3.49Å; T36-L39 VanDerWaalsContact O-N 3.13Å; L39-F42 PolarHBondContact O-N 2.97Å; L39-C43 PolarHBondContact O-N 3.46Å; L39-Y47 HydrophobicContact CB-CD2 3.74Å; L39-Y47 HydrophobicContact CB-CE2 3.86Å; L39-Y47 HydrophobicContact CD1-CE2 4.04Å
40	V	97.5	Very high	95.5	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-66	-38.7	175.9	173.7	0	0	0	0	111.1	T36 C37 P44 Y47 Q97 I100	T36-V40 HydrophobicContact CG2-CG2 4.14Å; T36-V40 WeakPolarHBondContact O-CG2 3.25Å; T36-V40 PolarHBondContact O-N 3.31Å; C37-V40 PolarHBondContact O-N 3.3Å; V40-P44 WeakPolarHBondContact O-CA 3.43Å; V40-P44 WeakPolarHBondContact O-CB 3.31Å; V40-P44 VanDerWaalsContact O-CD 3.24Å; V40-P44 WeakPolarHBondContact O-CD 3.48Å; V40-Y47 HydrophobicContact CG2-CD1 3.44Å; V40-Y47 VanDerWaalsContact CG2-CD1 3.44Å; V40-Y47 HydrophobicContact CG2-CD2 4.05Å; V40-Y47 HydrophobicContact CG2-CE1 3.82Å; V40-Y47 HydrophobicContact CG2-CE2 4.36Å; V40-Y47 HydrophobicContact CG2-CG 3.56Å; V40-Q97 HydrophobicContact CG1-CB 3.78Å; V40-Q97 HydrophobicContact CG1-CG 4.14Å; V40-I100 HydrophobicContact CG1-CB 4.12Å; V40-I100 HydrophobicContact CG1-CD1 4.06Å; V40-I100 HydrophobicContact CG1-CG2 4.19Å; V40-I100 HydrophobicContact CG2-CB 4.37Å; V40-I100 HydrophobicContact CG2-CG2 3.66Å
41	L	95.3	Very high	95.9	Very high	130 Å²	130	68.9 Å²	68.9	68%	0.681	36%	0.359	S	S	*	.	H	α-helix	trans	-66.3	-37.9	174.5	-74.4	170.6	0	0	0	112.1	C37 C38	C37-L41 WeakPolarHBondContact O-CB 3.32Å; C37-L41 VanDerWaalsContact O-CG 3.27Å; C37-L41 WeakPolarHBondContact O-CG 3.49Å; C37-L41 PolarHBondContact O-N 3.38Å; C38-L41 PolarHBondContact O-N 3.42Å
42	F	96.7	Very high	96.3	Very high	186 Å²	186	60.6 Å²	60.6	82%	0.816	32%	0.322	S	S	*	.	H	α-helix	trans	-72.2	-51.5	-179.8	-179.8	-100.7	0	0	0	113	C38 L39	C38-F42 WeakPolarHBondContact O-CB 3.36Å; C38-F42 PolarHBondContact O-N 3.11Å; L39-F42 PolarHBondContact O-N 2.97Å
43	C	96.2	Very high	96.4	Very high	30 Å²	30	60.3 Å²	60.3	20%	0.203	32%	0.321	C	S	.	.			trans	-142.3	87.7	176.5	-173.1	0	0	0	0	111.6	L39 H45 C46 Y47	L39-C43 PolarHBondContact O-N 3.46Å; C43-H45 VanDerWaalsContact C-N 3.31Å; C43-H45 PolarHBondContact O-N 2.94Å; C43-C46 HydrophobicContact CB-CB 3.75Å; C43-C46 WeakPolarHBondContact CB-SG 3.32Å; C43-C46 PolarHBondContact O-N 3.47Å; C43-C46 WeakPolarHBondContact SG-CB 3.41Å; C43-C46 PolarHBondContact SG-N 3.38Å; C43-C46 CovalentContact SG-SG 2.06Å; C43-C46 PolarHBondContact SG-SG 3.26Å; C43-Y47 PolarHBondContact O-N 3.22Å
44	P	94.4	Very high	96.5	Very high	31 Å²	31	61.4 Å²	61.4	20%	0.201	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-35.8	-179.3	23.5	-31.8	0	0	0	112.1	V40 Y47 M48 I100	V40-P44 WeakPolarHBondContact O-CA 3.43Å; V40-P44 WeakPolarHBondContact O-CB 3.31Å; V40-P44 VanDerWaalsContact O-CD 3.24Å; V40-P44 WeakPolarHBondContact O-CD 3.48Å; P44-Y47 PolarHBondContact O-N 3.46Å; P44-M48 WeakPolarHBondContact O-CB 3.49Å; P44-M48 VanDerWaalsContact O-CG 3.28Å; P44-M48 WeakPolarHBondContact O-CG 3.49Å; P44-M48 PolarHBondContact O-N 3Å; P44-I100 HydrophobicContact CB-CD1 4.27Å
45	H	93.9	Very high	96.6	Very high	126 Å²	126	59.4 Å²	59.4	58%	0.583	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-46.6	177.8	-64.9	93.7	0	0	0	112.4	C43 Y47 M48 C49	C43-H45 VanDerWaalsContact C-N 3.31Å; C43-H45 PolarHBondContact O-N 2.94Å; H45-Y47 VanDerWaalsContact C-N 3.31Å; H45-Y47 PolarHBondContact O-N 3.16Å; H45-M48 PolarHBondContact O-N 3.38Å; H45-C49 PolarHBondContact O-N 3.03Å
46	C	95.8	Very high	96.6	Very high	78 Å²	78	58.4 Å²	58.4	53%	0.527	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-43.9	176.4	-48	0	0	0	0	110.6	C43 C49 Y50	C43-C46 HydrophobicContact CB-CB 3.75Å; C43-C46 WeakPolarHBondContact CB-SG 3.32Å; C43-C46 PolarHBondContact O-N 3.47Å; C43-C46 WeakPolarHBondContact SG-CB 3.41Å; C43-C46 PolarHBondContact SG-N 3.38Å; C43-C46 CovalentContact SG-SG 2.06Å; C43-C46 PolarHBondContact SG-SG 3.26Å; C46-C49 WeakPolarHBondContact O-CB 3.26Å; C46-C49 PolarHBondContact O-N 2.81Å; C46-Y50 PolarHBondContact O-N 2.97Å
47	Y	97.8	Very high	96.7	Very high	17 Å²	17	61.5 Å²	61.5	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-69.1	-38.5	-178.5	-156.5	-84	0	0	0	112.5	T36 L39 V40 C43 P44 H45 Y50 L51 I100 K104	T36-Y47 HydrophobicContact CG2-CE1 4.01Å; T36-Y47 HydrophobicContact CG2-CE2 4.35Å; T36-Y47 VanDerWaalsContact CG2-OH 3.25Å; T36-Y47 WeakPolarHBondContact CG2-OH 3.34Å; T36-Y47 PolarHBondContact OG1-OH 2.89Å; L39-Y47 HydrophobicContact CB-CD2 3.74Å; L39-Y47 HydrophobicContact CB-CE2 3.86Å; L39-Y47 HydrophobicContact CD1-CE2 4.04Å; V40-Y47 HydrophobicContact CG2-CD1 3.44Å; V40-Y47 VanDerWaalsContact CG2-CD1 3.44Å; V40-Y47 HydrophobicContact CG2-CD2 4.05Å; V40-Y47 HydrophobicContact CG2-CE1 3.82Å; V40-Y47 HydrophobicContact CG2-CE2 4.36Å; V40-Y47 HydrophobicContact CG2-CG 3.56Å; C43-Y47 PolarHBondContact O-N 3.22Å; P44-Y47 PolarHBondContact O-N 3.46Å; H45-Y47 VanDerWaalsContact C-N 3.31Å; H45-Y47 PolarHBondContact O-N 3.16Å; Y47-Y50 HydrophobicContact CD1-CD1 4.45Å; Y47-Y50 HydrophobicContact CD2-CD1 4.5Å; Y47-Y50 HydrophobicContact CE1-CD1 4.21Å; Y47-Y50 HydrophobicContact CE1-CE1 4.43Å; Y47-Y50 HydrophobicContact CE2-CD1 4.27Å; Y47-Y50 HydrophobicContact CE2-CE1 4.44Å; Y47-Y50 WeakPolarHBondContact O-CB 3.4Å; Y47-Y50 PolarHBondContact O-N 3.33Å; Y47-L51 WeakPolarHBondContact O-CB 3.31Å; Y47-L51 PolarHBondContact O-N 3.45Å; Y47-I100 HydrophobicContact CD1-CG2 3.59Å; Y47-I100 HydrophobicContact CE1-CG2 4.11Å; Y47-K104 HydrophobicContact CE1-CB 4.31Å; Y47-K104 HydrophobicContact CE1-CG 4.33Å; Y47-K104 VanDerWaalsContact OH-CE 3.23Å; Y47-K104 WeakPolarHBondContact OH-CE 3.18Å; Y47-K104 WeakPolarHBondContact OH-CG 3.08Å
48	M	97.8	Very high	96.7	Very high	16 Å²	16	63.9 Å²	63.9	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-47.6	172	-73.3	-172.9	-74.5	0	0	110.9	P44 H45 Y50 L51 Y52 P62 I68 I100	P44-M48 WeakPolarHBondContact O-CB 3.49Å; P44-M48 VanDerWaalsContact O-CG 3.28Å; P44-M48 WeakPolarHBondContact O-CG 3.49Å; P44-M48 PolarHBondContact O-N 3Å; H45-M48 PolarHBondContact O-N 3.38Å; M48-Y50 VanDerWaalsContact C-N 3.3Å; M48-Y50 PolarHBondContact O-N 3.06Å; M48-L51 PolarHBondContact O-N 3.16Å; M48-Y52 VanDerWaalsContact O-CD2 3.29Å; M48-Y52 WeakPolarHBondContact O-CD2 3.43Å; M48-Y52 PolarHBondContact O-N 2.78Å; M48-P62 HydrophobicContact CB-CB 4.09Å; M48-P62 HydrophobicContact CB-CG 3.68Å; M48-P62 HydrophobicContact CE-CB 4.25Å; M48-P62 HydrophobicContact SD-CB 4.35Å; M48-I68 HydrophobicContact CG-CB 4.33Å; M48-I68 HydrophobicContact CG-CD1 4.17Å; M48-I68 HydrophobicContact SD-CB 3.88Å; M48-I100 HydrophobicContact CG-CD1 3.55Å; M48-I100 HydrophobicContact CG-CG1 3.95Å; M48-I100 HydrophobicContact SD-CD1 3.9Å; M48-I100 HydrophobicContact SD-CG1 4.42Å
49	C	97.3	Very high	96.5	Very high	36 Å²	36	62.9 Å²	62.9	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-54.3	-46.2	175.2	167.3	0	0	0	0	112.1	H45 C46 L51 Y52 N53 C59	H45-C49 PolarHBondContact O-N 3.03Å; C46-C49 WeakPolarHBondContact O-CB 3.26Å; C46-C49 PolarHBondContact O-N 2.81Å; C49-L51 VanDerWaalsContact C-N 3.34Å; C49-L51 PolarHBondContact O-N 3.25Å; C49-Y52 PolarHBondContact O-N 2.06Å; C49-N53 WeakPolarHBondContact O-CB 3.24Å; C49-N53 PolarHBondContact O-N 2.95Å; C49-C59 HydrophobicContact CB-CB 4.06Å; C49-C59 WeakPolarHBondContact CB-SG 3.44Å; C49-C59 WeakPolarHBondContact SG-CB 3.28Å; C49-C59 CovalentContact SG-SG 2.02Å; C49-C59 PolarHBondContact SG-SG 3.1Å
50	Y	97.2	Very high	96.4	Very high	106 Å²	106	66.7 Å²	66.7	42%	0.416	35%	0.351	S	S	.	.	H	α-helix	trans	-56.9	-46.3	172.8	160.3	-108.1	0	0	0	111.9	C46 Y47 M48 N53 K54	C46-Y50 PolarHBondContact O-N 2.97Å; Y47-Y50 HydrophobicContact CD1-CD1 4.45Å; Y47-Y50 HydrophobicContact CD2-CD1 4.5Å; Y47-Y50 HydrophobicContact CE1-CD1 4.21Å; Y47-Y50 HydrophobicContact CE1-CE1 4.43Å; Y47-Y50 HydrophobicContact CE2-CD1 4.27Å; Y47-Y50 HydrophobicContact CE2-CE1 4.44Å; Y47-Y50 WeakPolarHBondContact O-CB 3.4Å; Y47-Y50 PolarHBondContact O-N 3.33Å; M48-Y50 VanDerWaalsContact C-N 3.3Å; M48-Y50 PolarHBondContact O-N 3.06Å; Y50-N53 PolarHBondContact O-N 3.35Å; Y50-K54 HydrophobicContact CE1-CD 4.38Å; Y50-K54 HydrophobicContact CE2-CD 4.47Å; Y50-K54 VanDerWaalsContact O-CB 3.28Å; Y50-K54 WeakPolarHBondContact O-CB 3.5Å; Y50-K54 PolarHBondContact O-N 3.34Å
51	L	98.1	Very high	96.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-68.6	-39.5	-177.3	-157.4	59.5	0	0	0	112.6	Y47 M48 C49 K54 E55 I68 L71 I100 L103 K104 I107	Y47-L51 WeakPolarHBondContact O-CB 3.31Å; Y47-L51 PolarHBondContact O-N 3.45Å; M48-L51 PolarHBondContact O-N 3.16Å; C49-L51 VanDerWaalsContact C-N 3.34Å; C49-L51 PolarHBondContact O-N 3.25Å; L51-K54 HydrophobicContact CD1-CD 4.29Å; L51-K54 PolarHBondContact O-N 3.35Å; L51-E55 PolarHBondContact O-N 3.46Å; L51-E55 VanDerWaalsContact O-N 3.15Å; L51-I68 HydrophobicContact CD2-CD1 4.17Å; L51-L71 HydrophobicContact CB-CD2 4.25Å; L51-L71 HydrophobicContact CD2-CD2 4.35Å; L51-L71 HydrophobicContact CG-CD2 3.95Å; L51-I100 HydrophobicContact CD2-CG2 4.38Å; L51-L103 HydrophobicContact CD2-CB 4.39Å; L51-L103 HydrophobicContact CD2-CD2 3.87Å; L51-L103 HydrophobicContact CD2-CG 3.98Å; L51-K104 HydrophobicContact CD1-CB 4.3Å; L51-K104 HydrophobicContact CD1-CD 4.12Å; L51-K104 HydrophobicContact CD2-CB 4.41Å; L51-I107 HydrophobicContact CD1-CD1 3.63Å; L51-I107 HydrophobicContact CD2-CD1 4.2Å; L51-I107 HydrophobicContact CG-CD1 3.88Å
52	Y	98.3	Very high	96	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-49.6	171.8	-88	-84.5	0	0	0	110.8	M48 C49 K54 E55 G56 E57 I61 P62 G67 I68 P70 L71	M48-Y52 VanDerWaalsContact O-CD2 3.29Å; M48-Y52 WeakPolarHBondContact O-CD2 3.43Å; M48-Y52 PolarHBondContact O-N 2.78Å; C49-Y52 PolarHBondContact O-N 2.06Å; Y52-K54 VanDerWaalsContact C-N 3.31Å; Y52-K54 PolarHBondContact O-N 2.91Å; Y52-E55 CarbonylContact O-C 3.17Å; Y52-E55 PolarHBondContact O-N 3.35Å; Y52-E55 VanDerWaalsContact O-N 3.09Å; Y52-G56 PolarHBondContact O-N 3.35Å; Y52-E57 CarbonylContact C-O 3.42Å; Y52-E57 HydrophobicContact CD1-CB 3.56Å; Y52-E57 HydrophobicContact CD1-CG 4.18Å; Y52-E57 HydrophobicContact CE1-CB 4.49Å; Y52-E57 HydrophobicContact CG-CB 4.34Å; Y52-E57 WeakPolarHBondContact O-CA 3.44Å; Y52-E57 WeakPolarHBondContact O-CB 3.47Å; Y52-E57 PolarHBondContact O-N 2.87Å; Y52-I61 HydrophobicContact CD1-CB 3.93Å; Y52-I61 HydrophobicContact CD1-CG1 4.2Å; Y52-I61 HydrophobicContact CD1-CG2 4.22Å; Y52-I61 HydrophobicContact CE1-CB 3.66Å; Y52-I61 HydrophobicContact CE1-CG1 4.14Å; Y52-I61 HydrophobicContact CE1-CG2 3.43Å; Y52-I61 VanDerWaalsContact CE1-CG2 3.43Å; Y52-I61 HydrophobicContact CE2-CG2 4.36Å; Y52-I61 HydrophobicContact CG-CB 4.48Å; Y52-I61 WeakPolarHBondContact OH-CG2 3.16Å; Y52-P62 HydrophobicContact CD2-CG 3.45Å; Y52-P62 VanDerWaalsContact CD2-CG 3.45Å; Y52-P62 HydrophobicContact CE2-CG 3.54Å; Y52-P62 HydrophobicContact CG-CG 4.4Å; Y52-G67 VanDerWaalsContact CE2-O 3.3Å; Y52-G67 WeakPolarHBondContact CE2-O 3.12Å; Y52-G67 PolarHBondContact OH-O 3.46Å; Y52-I68 HydrophobicContact CE2-CD1 4.07Å; Y52-P70 WeakPolarHBondContact OH-CD 3.28Å; Y52-L71 HydrophobicContact CD1-CB 4.48Å; Y52-L71 HydrophobicContact CD1-CD1 4.42Å; Y52-L71 HydrophobicContact CD1-CD2 4.34Å; Y52-L71 HydrophobicContact CD2-CD2 4.2Å; Y52-L71 HydrophobicContact CE1-CB 3.86Å; Y52-L71 HydrophobicContact CE1-CD1 4.4Å; Y52-L71 HydrophobicContact CE1-CD2 4.5Å; Y52-L71 HydrophobicContact CE1-CG 4.48Å; Y52-L71 HydrophobicContact CE2-CB 4.15Å; Y52-L71 HydrophobicContact CE2-CD2 4.34Å; Y52-L71 HydrophobicContact CG-CD2 4.19Å; Y52-L71 PolarHBondContact OH-N 3.38Å
53	N	97	Very high	95.5	Very high	113 Å²	113	59.3 Å²	59.3	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-60.5	-40.8	178	-175.6	-105.1	0	0	0	112.2	C49 Y50 E55 G56 E57	C49-N53 WeakPolarHBondContact O-CB 3.24Å; C49-N53 PolarHBondContact O-N 2.95Å; Y50-N53 PolarHBondContact O-N 3.35Å; N53-E55 PolarHBondContact O-N 2.99Å; N53-G56 PolarHBondContact O-N 3.35Å; N53-E57 WeakPolarHBondContact CA-O 3.44Å
54	K	96.1	Very high	95.2	Very high	54 Å²	54	62.9 Å²	62.9	24%	0.235	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-28.1	176	179.5	173.9	177.9	179.7	0	113.4	Y50 L51 Y52 I107 D108 K111	Y50-K54 HydrophobicContact CE1-CD 4.38Å; Y50-K54 HydrophobicContact CE2-CD 4.47Å; Y50-K54 VanDerWaalsContact O-CB 3.28Å; Y50-K54 WeakPolarHBondContact O-CB 3.5Å; Y50-K54 PolarHBondContact O-N 3.34Å; L51-K54 HydrophobicContact CD1-CD 4.29Å; L51-K54 PolarHBondContact O-N 3.35Å; Y52-K54 VanDerWaalsContact C-N 3.31Å; Y52-K54 PolarHBondContact O-N 2.91Å; K54-I107 HydrophobicContact CD-CG2 4.46Å; K54-D108 IonicContact NZ-OD1 3.12Å; K54-D108 PolarHBondContact NZ-OD1 3.15Å; K54-K111 PolarHBondContact O-NZ 3.06Å
55	E	96.4	Very high	95	Very high	44 Å²	44	64.8 Å²	64.8	21%	0.206	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	15.6	177.5	-64.4	-55.8	116	0	0	113.2	L51 Y52 N53 L71 I107 K111	L51-E55 PolarHBondContact O-N 3.46Å; L51-E55 VanDerWaalsContact O-N 3.15Å; Y52-E55 CarbonylContact O-C 3.17Å; Y52-E55 PolarHBondContact O-N 3.35Å; Y52-E55 VanDerWaalsContact O-N 3.09Å; N53-E55 PolarHBondContact O-N 2.99Å; E55-L71 HydrophobicContact CB-CD1 3.88Å; E55-L71 HydrophobicContact CG-CD1 4.18Å; E55-L71 HydrophobicContact CG-CD2 4.43Å; E55-I107 HydrophobicContact CG-CD1 3.71Å; E55-I107 HydrophobicContact CG-CG1 4.38Å; E55-I107 WeakPolarHBondContact OE1-CG2 3.48Å; E55-K111 IonicContact OE1-NZ 2.6Å; E55-K111 PolarHBondContact OE1-NZ 2.96Å
56	G	96.6	Very high	94.9	Very high	71 Å²	71	60.6 Å²	60.6	73%	0.732	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	18	175.1	0	0	0	0	0	114.6	Y52 N53	Y52-G56 PolarHBondContact O-N 3.35Å; N53-G56 PolarHBondContact O-N 3.35Å
57	E	97.3	Very high	94.8	Very high	73 Å²	73	58 Å²	58	34%	0.341	35%	0.347	S	S	.	.			trans	-108	162.9	-177.9	-63.3	-67.7	170.5	0	0	112.5	Y52 N53 L71 K74	Y52-E57 CarbonylContact C-O 3.42Å; Y52-E57 HydrophobicContact CD1-CB 3.56Å; Y52-E57 HydrophobicContact CD1-CG 4.18Å; Y52-E57 HydrophobicContact CE1-CB 4.49Å; Y52-E57 HydrophobicContact CG-CB 4.34Å; Y52-E57 WeakPolarHBondContact O-CA 3.44Å; Y52-E57 WeakPolarHBondContact O-CB 3.47Å; Y52-E57 PolarHBondContact O-N 2.87Å; N53-E57 WeakPolarHBondContact CA-O 3.44Å; E57-L71 HydrophobicContact CG-CD1 4.45Å; E57-K74 IonicContact OE1-NZ 3.45Å; E57-K74 PolarHBondContact OE1-NZ 2.88Å
58	S	96	Very high	94.8	Very high	59 Å²	59	57.6 Å²	57.6	41%	0.413	35%	0.346	S	S	.	.			trans	-70.5	134.7	179.3	-179.1	0	0	0	0	112.5	W60 I61	S58-W60 PolarHBondContact O-N 3.21Å; S58-W60 VanDerWaalsContact O-N 3.13Å; S58-W60 PolarHBondContact OG-N 3.31Å; S58-I61 WeakPolarHBondContact O-CG1 3.42Å; S58-I61 PolarHBondContact O-N 3.05Å
59	C	94.3	Very high	94.9	Very high	48 Å²	48	59 Å²	59	32%	0.324	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	172.1	172.2	0	0	0	0	113.4	C49 I61 P62	C49-C59 HydrophobicContact CB-CB 4.06Å; C49-C59 WeakPolarHBondContact CB-SG 3.44Å; C49-C59 WeakPolarHBondContact SG-CB 3.28Å; C49-C59 CovalentContact SG-SG 2.02Å; C49-C59 PolarHBondContact SG-SG 3.1Å; C59-I61 VanDerWaalsContact C-N 3.32Å; C59-I61 PolarHBondContact O-N 3.26Å; C59-P62 WeakPolarHBondContact O-CD 3.32Å
60	W	94	Very high	94.9	Very high	177 Å²	177	59.8 Å²	59.8	67%	0.67	36%	0.358	S	S	*	.	H	α-helix	trans	-76.1	-16.7	178.3	-71.2	103	0	0	0	113.8	S58 V63 C64	S58-W60 PolarHBondContact O-N 3.21Å; S58-W60 VanDerWaalsContact O-N 3.13Å; S58-W60 PolarHBondContact OG-N 3.31Å; W60-V63 HydrophobicContact CE3-CB 3.95Å; W60-V63 HydrophobicContact CE3-CG1 3.9Å; W60-V63 HydrophobicContact CE3-CG2 4.24Å; W60-V63 HydrophobicContact CZ3-CB 4.46Å; W60-V63 HydrophobicContact CZ3-CG1 3.95Å; W60-V63 WeakPolarHBondContact O-CA 3.49Å; W60-V63 WeakPolarHBondContact O-CB 3.49Å; W60-V63 PolarHBondContact O-N 3.36Å; W60-C64 PolarHBondContact O-N 3.48Å; W60-C64 PolarHBondContact O-SG 3.03Å; W60-C64 VanDerWaalsContact O-SG 3.34Å
61	I	94.7	Very high	94.9	Very high	56 Å²	56	54.9 Å²	54.9	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-47.5	-175.7	-59.2	-64.6	0	0	0	112.7	Y52 S58 C59 V63 C64 A66 P70	Y52-I61 HydrophobicContact CD1-CB 3.93Å; Y52-I61 HydrophobicContact CD1-CG1 4.2Å; Y52-I61 HydrophobicContact CD1-CG2 4.22Å; Y52-I61 HydrophobicContact CE1-CB 3.66Å; Y52-I61 HydrophobicContact CE1-CG1 4.14Å; Y52-I61 HydrophobicContact CE1-CG2 3.43Å; Y52-I61 VanDerWaalsContact CE1-CG2 3.43Å; Y52-I61 HydrophobicContact CE2-CG2 4.36Å; Y52-I61 HydrophobicContact CG-CB 4.48Å; Y52-I61 WeakPolarHBondContact OH-CG2 3.16Å; S58-I61 WeakPolarHBondContact O-CG1 3.42Å; S58-I61 PolarHBondContact O-N 3.05Å; C59-I61 VanDerWaalsContact C-N 3.32Å; C59-I61 PolarHBondContact O-N 3.26Å; I61-V63 VanDerWaalsContact C-N 3.28Å; I61-V63 PolarHBondContact O-N 3.31Å; I61-C64 PolarHBondContact O-N 3.38Å; I61-A66 HydrophobicContact CG2-CB 3.81Å; I61-A66 WeakPolarHBondContact O-CB 3.23Å; I61-A66 PolarHBondContact O-N 2.85Å; I61-P70 HydrophobicContact CG2-CG 4.43Å
62	P	90.2	Very high	95	Very high	10 Å²	10	55.1 Å²	55.1	7%	0.065	34%	0.34	C	S	.	.	I	π-helix	trans	-59.6	-38	172.6	-23.9	33.1	0	0	0	113.4	M48 Y52 C59 C64 G65	M48-P62 HydrophobicContact CB-CB 4.09Å; M48-P62 HydrophobicContact CB-CG 3.68Å; M48-P62 HydrophobicContact CE-CB 4.25Å; M48-P62 HydrophobicContact SD-CB 4.35Å; Y52-P62 HydrophobicContact CD2-CG 3.45Å; Y52-P62 VanDerWaalsContact CD2-CG 3.45Å; Y52-P62 HydrophobicContact CE2-CG 3.54Å; Y52-P62 HydrophobicContact CG-CG 4.4Å; C59-P62 WeakPolarHBondContact O-CD 3.32Å; P62-C64 VanDerWaalsContact C-N 3.32Å; P62-C64 PolarHBondContact O-N 3.37Å; P62-G65 PolarHBondContact O-N 3.15Å
63	V	86.4	Confident	95	Very high	96 Å²	96	56.5 Å²	56.5	58%	0.582	35%	0.347	S	S	*	.	I	π-helix	trans	-69.6	-31.7	-176.8	-176	0	0	0	0	111.5	W60 I61 G65	W60-V63 HydrophobicContact CE3-CB 3.95Å; W60-V63 HydrophobicContact CE3-CG1 3.9Å; W60-V63 HydrophobicContact CE3-CG2 4.24Å; W60-V63 HydrophobicContact CZ3-CB 4.46Å; W60-V63 HydrophobicContact CZ3-CG1 3.95Å; W60-V63 WeakPolarHBondContact O-CA 3.49Å; W60-V63 WeakPolarHBondContact O-CB 3.49Å; W60-V63 PolarHBondContact O-N 3.36Å; I61-V63 VanDerWaalsContact C-N 3.28Å; I61-V63 PolarHBondContact O-N 3.31Å; V63-G65 PolarHBondContact O-N 2.96Å; V63-G65 VanDerWaalsContact O-N 3.09Å
64	C	90.8	Very high	95	Very high	105 Å²	105	54.8 Å²	54.8	71%	0.709	33%	0.334	S	S	*	.	I	π-helix	trans	-72.8	10.1	173.4	-66.2	0	0	0	0	113.9	W60 I61 P62	W60-C64 PolarHBondContact O-N 3.48Å; W60-C64 PolarHBondContact O-SG 3.03Å; W60-C64 VanDerWaalsContact O-SG 3.34Å; I61-C64 PolarHBondContact O-N 3.38Å; P62-C64 VanDerWaalsContact C-N 3.32Å; P62-C64 PolarHBondContact O-N 3.37Å
65	G	88.4	Confident	95.1	Very high	71 Å²	71	52.6 Å²	52.6	73%	0.732	33%	0.325	S	S	*	.	I	π-helix	trans	84.4	5.5	177.4	0	0	0	0	0	114.6	P62 V63 G67	P62-G65 PolarHBondContact O-N 3.15Å; V63-G65 PolarHBondContact O-N 2.96Å; V63-G65 VanDerWaalsContact O-N 3.09Å; G65-G67 VanDerWaalsContact C-N 3.33Å
66	A	92.1	Very high	95.2	Very high	39 Å²	39	51.7 Å²	51.7	32%	0.322	32%	0.319	S	S	.	.	I	π-helix	trans	-81	-15	179.9	0	0	0	0	0	113.2	I61 P70	I61-A66 HydrophobicContact CG2-CB 3.81Å; I61-A66 WeakPolarHBondContact O-CB 3.23Å; I61-A66 PolarHBondContact O-N 2.85Å; A66-P70 HydrophobicContact CB-CG 3.72Å; A66-P70 WeakPolarHBondContact O-CD 3.47Å
67	G	95.1	Very high	95.2	Very high	24 Å²	24	53.4 Å²	53.4	25%	0.247	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-140.5	-179.8	0	0	0	0	0	112.2	Y52 G65	Y52-G67 VanDerWaalsContact CE2-O 3.3Å; Y52-G67 WeakPolarHBondContact CE2-O 3.12Å; Y52-G67 PolarHBondContact OH-O 3.46Å; G65-G67 VanDerWaalsContact C-N 3.33Å
68	I	97.7	Very high	95.1	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.7	177.8	-162.2	57.9	0	0	0	113.8	M48 L51 Y52 L71 R72 T92 A99 I100 L103	M48-I68 HydrophobicContact CG-CB 4.33Å; M48-I68 HydrophobicContact CG-CD1 4.17Å; M48-I68 HydrophobicContact SD-CB 3.88Å; L51-I68 HydrophobicContact CD2-CD1 4.17Å; Y52-I68 HydrophobicContact CE2-CD1 4.07Å; I68-L71 HydrophobicContact CD1-CB 4.08Å; I68-L71 HydrophobicContact CD1-CD2 3.98Å; I68-L71 PolarHBondContact O-N 2.88Å; I68-R72 PolarHBondContact O-N 3.47Å; I68-T92 HydrophobicContact CG2-CG2 3.64Å; I68-A99 HydrophobicContact CG2-CB 4.47Å; I68-I100 HydrophobicContact CB-CG1 3.88Å; I68-I100 HydrophobicContact CD1-CG1 4.41Å; I68-I100 HydrophobicContact CG1-CG1 3.8Å; I68-I100 HydrophobicContact CG2-CG1 3.97Å; I68-L103 HydrophobicContact CD1-CD2 3.79Å; I68-L103 HydrophobicContact CG1-CD2 3.79Å
69	L	98.1	Very high	95	Very high	45 Å²	45	55.3 Å²	55.3	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-56.3	-49.8	-172.1	171.6	65.5	0	0	0	113.3	L71 R72 I73 D88 V89 T92	L69-L71 VanDerWaalsContact C-N 3.29Å; L69-L71 PolarHBondContact O-N 3Å; L69-R72 PolarHBondContact O-N 3.43Å; L69-I73 HydrophobicContact CD1-CD1 3.54Å; L69-I73 HydrophobicContact CD1-CG1 3.98Å; L69-I73 HydrophobicContact CG-CD1 3.71Å; L69-I73 WeakPolarHBondContact O-CD1 3.34Å; L69-I73 WeakPolarHBondContact O-CG1 3.31Å; L69-I73 PolarHBondContact O-N 2.96Å; L69-D88 HydrophobicContact CD1-CB 3.73Å; L69-V89 HydrophobicContact CD1-CG2 4.07Å; L69-V89 HydrophobicContact CD2-CG2 3.89Å; L69-T92 HydrophobicContact CB-CG2 4.31Å; L69-T92 HydrophobicContact CD1-CG2 4.38Å
70	P	98	Very high	95	Very high	52 Å²	52	57.3 Å²	57.3	34%	0.338	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-39.8	179.2	-21.1	28.3	0	0	0	112.9	Y52 I61 A66 I73 K74	Y52-P70 WeakPolarHBondContact OH-CD 3.28Å; I61-P70 HydrophobicContact CG2-CG 4.43Å; A66-P70 HydrophobicContact CB-CG 3.72Å; A66-P70 WeakPolarHBondContact O-CD 3.47Å; P70-I73 PolarHBondContact O-N 2.82Å; P70-K74 VanDerWaalsContact O-CB 3.31Å; P70-K74 WeakPolarHBondContact O-CB 3.03Å; P70-K74 PolarHBondContact O-N 3.31Å
71	L	98.3	Very high	95.2	Very high	3 Å²	3	49 Å²	49	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-70.6	-39.3	-178.9	-166	62.3	0	0	0	111.3	L51 Y52 E55 E57 I68 L69 I73 K74 H75 L103	L51-L71 HydrophobicContact CB-CD2 4.25Å; L51-L71 HydrophobicContact CD2-CD2 4.35Å; L51-L71 HydrophobicContact CG-CD2 3.95Å; Y52-L71 HydrophobicContact CD1-CB 4.48Å; Y52-L71 HydrophobicContact CD1-CD1 4.42Å; Y52-L71 HydrophobicContact CD1-CD2 4.34Å; Y52-L71 HydrophobicContact CD2-CD2 4.2Å; Y52-L71 HydrophobicContact CE1-CB 3.86Å; Y52-L71 HydrophobicContact CE1-CD1 4.4Å; Y52-L71 HydrophobicContact CE1-CD2 4.5Å; Y52-L71 HydrophobicContact CE1-CG 4.48Å; Y52-L71 HydrophobicContact CE2-CB 4.15Å; Y52-L71 HydrophobicContact CE2-CD2 4.34Å; Y52-L71 HydrophobicContact CG-CD2 4.19Å; Y52-L71 PolarHBondContact OH-N 3.38Å; E55-L71 HydrophobicContact CB-CD1 3.88Å; E55-L71 HydrophobicContact CG-CD1 4.18Å; E55-L71 HydrophobicContact CG-CD2 4.43Å; E57-L71 HydrophobicContact CG-CD1 4.45Å; I68-L71 HydrophobicContact CD1-CB 4.08Å; I68-L71 HydrophobicContact CD1-CD2 3.98Å; I68-L71 PolarHBondContact O-N 2.88Å; L69-L71 VanDerWaalsContact C-N 3.29Å; L69-L71 PolarHBondContact O-N 3Å; L71-I73 PolarHBondContact O-N 3.32Å; L71-K74 HydrophobicContact CD1-CD 4.43Å; L71-K74 PolarHBondContact O-N 3.36Å; L71-H75 VanDerWaalsContact O-CB 3.23Å; L71-H75 WeakPolarHBondContact O-CB 3.03Å; L71-H75 PolarHBondContact O-N 3.25Å; L71-L103 HydrophobicContact CB-CD2 4.17Å; L71-L103 HydrophobicContact CD2-CD2 4.07Å; L71-L103 HydrophobicContact CG-CD2 3.98Å
72	R	98.5	Very high	95.2	Very high	6 Å²	6	50.9 Å²	50.9	2%	0.023	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-45.8	173.7	-167.9	-175.9	-165.5	-117.9	9.2	111.4	W23 I68 L69 R76 N87 D88 L103	W23-R72 HydrophobicContact CH2-CG 3.73Å; W23-R72 HydrophobicContact CZ2-CG 3.91Å; I68-R72 PolarHBondContact O-N 3.47Å; L69-R72 PolarHBondContact O-N 3.43Å; R72-R76 VanDerWaalsContact O-CB 3.25Å; R72-R76 WeakPolarHBondContact O-CB 3.45Å; R72-R76 PolarHBondContact O-N 2.72Å; R72-N87 PolarHBondContact NH1-OD1 2.68Å; R72-N87 VanDerWaalsContact NH1-OD1 3.14Å; R72-D88 IonicContact CZ-OD1 3.31Å; R72-D88 IonicContact NE-OD1 3.75Å; R72-D88 IonicContact NH1-OD1 2.68Å; R72-D88 PolarHBondContact NH1-OD1 3.4Å; R72-L103 HydrophobicContact CB-CD2 4.44Å
73	I	98.6	Very high	95.5	Very high	33 Å²	33	52 Å²	52	17%	0.169	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-49.6	178.7	-65.1	157.3	0	0	0	110.9	L69 P70 L71 H75 R76 I77 L85 D88	L69-I73 HydrophobicContact CD1-CD1 3.54Å; L69-I73 HydrophobicContact CD1-CG1 3.98Å; L69-I73 HydrophobicContact CG-CD1 3.71Å; L69-I73 WeakPolarHBondContact O-CD1 3.34Å; L69-I73 WeakPolarHBondContact O-CG1 3.31Å; L69-I73 PolarHBondContact O-N 2.96Å; P70-I73 PolarHBondContact O-N 2.82Å; L71-I73 PolarHBondContact O-N 3.32Å; I73-H75 VanDerWaalsContact C-N 3.31Å; I73-H75 PolarHBondContact O-N 3.37Å; I73-R76 PolarHBondContact O-N 2.84Å; I73-I77 HydrophobicContact CG2-CD1 3.66Å; I73-I77 HydrophobicContact CG2-CG1 4.37Å; I73-I77 WeakPolarHBondContact O-CG1 3.39Å; I73-I77 PolarHBondContact O-N 3.47Å; I73-L85 HydrophobicContact CD1-CD1 3.21Å; I73-L85 HydrophobicContact CG1-CD1 3.62Å; I73-L85 HydrophobicContact CG2-CD1 4.24Å; I73-D88 HydrophobicContact CG1-CB 3.85Å
74	K	98	Very high	96	Very high	77 Å²	77	51.5 Å²	51.5	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-54.1	-51	178.1	178	-172.4	170.8	-170.3	0	109.9	E57 P70 L71 I77 M78	E57-K74 IonicContact OE1-NZ 3.45Å; E57-K74 PolarHBondContact OE1-NZ 2.88Å; P70-K74 VanDerWaalsContact O-CB 3.31Å; P70-K74 WeakPolarHBondContact O-CB 3.03Å; P70-K74 PolarHBondContact O-N 3.31Å; L71-K74 HydrophobicContact CD1-CD 4.43Å; L71-K74 PolarHBondContact O-N 3.36Å; K74-I77 PolarHBondContact O-N 2.76Å; K74-M78 HydrophobicContact CG-CG 4.39Å; K74-M78 VanDerWaalsContact O-CB 3.31Å; K74-M78 WeakPolarHBondContact O-CB 3.29Å; K74-M78 VanDerWaalsContact O-CG 3.24Å; K74-M78 WeakPolarHBondContact O-CG 3.32Å; K74-M78 PolarHBondContact O-N 3.46Å
75	H	98.1	Very high	96.3	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.032	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-46.7	179.6	-171.1	84.6	0	0	0	112.1	W23 L71 I73 I77 M78 H79 L103 D106	W23-H75 AromaticContact CZ3-CD2 3.72Å; L71-H75 VanDerWaalsContact O-CB 3.23Å; L71-H75 WeakPolarHBondContact O-CB 3.03Å; L71-H75 PolarHBondContact O-N 3.25Å; I73-H75 VanDerWaalsContact C-N 3.31Å; I73-H75 PolarHBondContact O-N 3.37Å; H75-I77 PolarHBondContact O-N 3.02Å; H75-M78 PolarHBondContact O-N 2.85Å; H75-H79 AromaticContact CE1-CD2 3.32Å; H75-H79 PolarHBondContact CE1-CD2 3.31Å; H75-H79 AromaticContact CE1-NE2 3.85Å; H75-H79 AromaticContact CG-CD2 3.95Å; H75-H79 AromaticContact ND1-CD2 3.51Å; H75-H79 AromaticContact ND1-NE2 3.97Å; H75-H79 AromaticContact NE2-CD2 3.68Å; H75-H79 PolarHBondContact O-CD2 3.48Å; H75-H79 PolarHBondContact O-N 3.42Å; H75-L103 HydrophobicContact CB-CD1 3.57Å; H75-L103 VanDerWaalsContact CG-CD1 3.5Å; H75-D106 IonicContact CD2-OD2 2.68Å; H75-D106 IonicContact CE1-OD2 2.69Å; H75-D106 IonicContact NE2-OD2 2.88Å; H75-D106 PolarHBondContact NE2-OD2 3.05Å
76	R	97.8	Very high	96.8	Very high	25 Å²	25	54 Å²	54	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-46	179.4	-169.9	-176.6	55.3	72.3	-0.2	111.9	W23 R72 I73 E80 I81 G83 D88	W23-R76 HydrophobicContact CH2-CB 4.34Å; W23-R76 HydrophobicContact CZ2-CB 4.11Å; W23-R76 HydrophobicContact CZ2-CG 4.19Å; R72-R76 VanDerWaalsContact O-CB 3.25Å; R72-R76 WeakPolarHBondContact O-CB 3.45Å; R72-R76 PolarHBondContact O-N 2.72Å; I73-R76 PolarHBondContact O-N 2.84Å; R76-E80 PolarHBondContact O-N 2.02Å; R76-I81 HydrophobicContact CB-CB 4.39Å; R76-I81 HydrophobicContact CG-CB 3.67Å; R76-I81 HydrophobicContact CG-CG2 4.08Å; R76-I81 WeakPolarHBondContact CG-O 3.48Å; R76-I81 PolarHBondContact O-N 2.97Å; R76-G83 PolarHBondContact NH1-O 2.86Å; R76-G83 VanDerWaalsContact NH1-O 3.16Å; R76-D88 IonicContact CZ-OD2 3.34Å; R76-D88 IonicContact NE-OD1 3.44Å; R76-D88 PolarHBondContact NE-OD1 3.24Å; R76-D88 IonicContact NE-OD2 2.75Å; R76-D88 PolarHBondContact NE-OD2 2.9Å; R76-D88 IonicContact NH2-OD2 3.02Å; R76-D88 PolarHBondContact NH2-OD2 3.26Å
77	I	96.5	Very high	97.1	Very high	108 Å²	108	55.6 Å²	55.6	55%	0.554	30%	0.297	S	S	*	.	H	α-helix	trans	-68.4	-44.1	178.8	-66.8	171.7	0	0	0	110.9	I73 K74 H75 H79 E80	I73-I77 HydrophobicContact CG2-CD1 3.66Å; I73-I77 HydrophobicContact CG2-CG1 4.37Å; I73-I77 WeakPolarHBondContact O-CG1 3.39Å; I73-I77 PolarHBondContact O-N 3.47Å; K74-I77 PolarHBondContact O-N 2.76Å; H75-I77 PolarHBondContact O-N 3.02Å; I77-H79 VanDerWaalsContact C-N 3.26Å; I77-H79 PolarHBondContact O-N 3.02Å; I77-E80 PolarHBondContact O-N 2.85Å
78	M	94.9	Very high	97.3	Very high	124 Å²	124	54.5 Å²	54.5	61%	0.611	29%	0.285	S	S	*	.	H	α-helix	trans	-66.8	-27.4	-176.7	-77.8	-59.9	-25.4	0	0	113.9	K74 H75	K74-M78 HydrophobicContact CG-CG 4.39Å; K74-M78 VanDerWaalsContact O-CB 3.31Å; K74-M78 WeakPolarHBondContact O-CB 3.29Å; K74-M78 VanDerWaalsContact O-CG 3.24Å; K74-M78 WeakPolarHBondContact O-CG 3.32Å; K74-M78 PolarHBondContact O-N 3.46Å; H75-M78 PolarHBondContact O-N 2.85Å
79	H	94.9	Very high	97.3	Very high	48 Å²	48	56.4 Å²	56.4	22%	0.222	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	17.6	-177.4	-65.8	-61.3	0	0	0	113.7	R21 H75 I77 I81 T110	R21-H79 PolarHBondContact NE-O 3.36Å; H75-H79 AromaticContact CE1-CD2 3.32Å; H75-H79 PolarHBondContact CE1-CD2 3.31Å; H75-H79 AromaticContact CE1-NE2 3.85Å; H75-H79 AromaticContact CG-CD2 3.95Å; H75-H79 AromaticContact ND1-CD2 3.51Å; H75-H79 AromaticContact ND1-NE2 3.97Å; H75-H79 AromaticContact NE2-CD2 3.68Å; H75-H79 PolarHBondContact O-CD2 3.48Å; H75-H79 PolarHBondContact O-N 3.42Å; I77-H79 VanDerWaalsContact C-N 3.26Å; I77-H79 PolarHBondContact O-N 3.02Å; H79-I81 HydrophobicContact CB-CD1 4.17Å; H79-I81 HydrophobicContact CB-CG1 3.98Å; H79-I81 PolarHBondContact O-N 3.05Å; H79-T110 WeakPolarHBondContact CE1-CG2 3.35Å; H79-T110 VanDerWaalsContact ND1-CG2 3.31Å; H79-T110 WeakPolarHBondContact ND1-CG2 3.1Å
80	E	94.7	Very high	97.3	Very high	90 Å²	90	56.7 Å²	56.7	42%	0.421	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	44.2	175.5	-57.3	-177.8	157.1	0	0	111.6	T18 E20 R21 R76 I77	T18-E80 WeakPolarHBondContact CB-OE2 3.29Å; T18-E80 WeakPolarHBondContact CG2-OE1 3.24Å; E20-E80 CarbonylContact C-O 3.44Å; E20-E80 WeakPolarHBondContact CA-O 3.46Å; E20-E80 WeakPolarHBondContact CB-O 3.17Å; R21-E80 PolarHBondContact N-O 3.22Å; R76-E80 PolarHBondContact O-N 2.02Å; I77-E80 PolarHBondContact O-N 2.85Å
81	I	97.3	Very high	97.3	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-87	130.4	-179.5	-55.9	175.1	0	0	0	109.1	R21 W23 R76 H79 G83 D106	R21-I81 HydrophobicContact CG-CG1 4.23Å; R21-I81 VanDerWaalsContact NH2-CD1 3.34Å; R21-I81 CarbonylContact O-C 3.44Å; R21-I81 VanDerWaalsContact O-CA 3.25Å; R21-I81 WeakPolarHBondContact O-CA 3.42Å; W23-I81 HydrophobicContact CD2-CD1 4.11Å; W23-I81 HydrophobicContact CD2-CG2 3.85Å; W23-I81 HydrophobicContact CE3-CD1 3.79Å; W23-I81 HydrophobicContact CG-CG2 3.85Å; W23-I81 HydrophobicContact CH2-CD1 4.11Å; W23-I81 HydrophobicContact CZ2-CD1 4.42Å; W23-I81 HydrophobicContact CZ2-CG2 4.29Å; W23-I81 HydrophobicContact CZ3-CD1 3.79Å; R76-I81 HydrophobicContact CB-CB 4.39Å; R76-I81 HydrophobicContact CG-CB 3.67Å; R76-I81 HydrophobicContact CG-CG2 4.08Å; R76-I81 WeakPolarHBondContact CG-O 3.48Å; R76-I81 PolarHBondContact O-N 2.97Å; H79-I81 HydrophobicContact CB-CD1 4.17Å; H79-I81 HydrophobicContact CB-CG1 3.98Å; H79-I81 PolarHBondContact O-N 3.05Å; I81-G83 PolarHBondContact O-N 3.32Å; I81-D106 WeakPolarHBondContact CD1-OD2 3.42Å
82	M	95.3	Very high	97.3	Very high	97 Å²	97	55.8 Å²	55.8	48%	0.478	30%	0.296	S	S	.	.			trans	-55.9	135.2	177.8	-65.8	-171.4	86.3	0	0	111.5	E20 R21	E20-M82 HydrophobicContact CB-CB 4.47Å; E20-M82 HydrophobicContact CB-CG 3.37Å; E20-M82 HydrophobicContact CB-SD 4.48Å; E20-M82 HydrophobicContact CG-CG 4.45Å; R21-M82 PolarHBondContact O-N 3.09Å
83	G	95.4	Very high	97.2	Very high	34 Å²	34	59.9 Å²	59.9	35%	0.351	33%	0.325	S	S	.	.			trans	153.5	176.3	173.6	0	0	0	0	0	113.7	R76 I81	R76-G83 PolarHBondContact NH1-O 2.86Å; R76-G83 VanDerWaalsContact NH1-O 3.16Å; I81-G83 PolarHBondContact O-N 3.32Å
84	T	97.2	Very high	97.1	Very high	85 Å²	85	66.3 Å²	66.3	52%	0.521	35%	0.352	S	S	.	.			trans	-123.2	159	179.3	65.8	0	0	0	0	110.5	M86 N87 D88	T84-M86 PolarHBondContact O-N 3.25Å; T84-N87 WeakPolarHBondContact O-CB 3.23Å; T84-N87 PolarHBondContact O-N 2.66Å; T84-N87 PolarHBondContact OG1-N 3.49Å; T84-D88 PolarHBondContact O-N 2.93Å
85	L	98.1	Very high	97	Very high	102 Å²	102	64.6 Å²	64.6	53%	0.534	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-38.7	175.6	-172	62.7	0	0	0	111.8	I73 N87 D88 V89	I73-L85 HydrophobicContact CD1-CD1 3.21Å; I73-L85 HydrophobicContact CG1-CD1 3.62Å; I73-L85 HydrophobicContact CG2-CD1 4.24Å; L85-N87 VanDerWaalsContact C-N 3.35Å; L85-N87 PolarHBondContact O-N 3.46Å; L85-D88 WeakPolarHBondContact O-CB 3.25Å; L85-D88 PolarHBondContact O-N 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.24Å; L85-V89 PolarHBondContact O-N 3.42Å
86	M	98.3	Very high	96.9	Very high	125 Å²	125	65 Å²	65	62%	0.616	36%	0.355	S	S	*	.	H	α-helix	trans	-65.5	-37.9	176.5	-172.9	58.7	72.6	0	0	111.9	T84 D88 V89 C90	T84-M86 PolarHBondContact O-N 3.25Å; M86-D88 VanDerWaalsContact C-N 3.31Å; M86-D88 PolarHBondContact O-N 2.91Å; M86-V89 PolarHBondContact O-N 3.03Å; M86-C90 WeakPolarHBondContact O-CB 3.31Å; M86-C90 PolarHBondContact O-N 2.83Å; M86-C90 PolarHBondContact O-SG 3.42Å; M86-C90 VanDerWaalsContact O-SG 3.39Å
87	N	98.2	Very high	96.8	Very high	74 Å²	74	68.3 Å²	68.3	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-41.6	172.6	-180	-87.1	0	0	0	111.4	R72 T84 L85 T91	R72-N87 PolarHBondContact NH1-OD1 2.68Å; R72-N87 VanDerWaalsContact NH1-OD1 3.14Å; T84-N87 WeakPolarHBondContact O-CB 3.23Å; T84-N87 PolarHBondContact O-N 2.66Å; T84-N87 PolarHBondContact OG1-N 3.49Å; L85-N87 VanDerWaalsContact C-N 3.35Å; L85-N87 PolarHBondContact O-N 3.46Å; N87-T91 WeakPolarHBondContact O-CB 3.25Å; N87-T91 PolarHBondContact O-N 3.18Å; N87-T91 PolarHBondContact O-OG1 2.9Å; N87-T91 PolarHBondContact OD1-OG1 3.3Å
88	D	98.6	Very high	96.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175	-61.5	-43.9	0	0	0	111.9	L69 R72 I73 R76 T84 L85 M86 T91 T92	L69-D88 HydrophobicContact CD1-CB 3.73Å; R72-D88 IonicContact CZ-OD1 3.31Å; R72-D88 IonicContact NE-OD1 3.75Å; R72-D88 IonicContact NH1-OD1 2.68Å; R72-D88 PolarHBondContact NH1-OD1 3.4Å; I73-D88 HydrophobicContact CG1-CB 3.85Å; R76-D88 IonicContact CZ-OD2 3.34Å; R76-D88 IonicContact NE-OD1 3.44Å; R76-D88 PolarHBondContact NE-OD1 3.24Å; R76-D88 IonicContact NE-OD2 2.75Å; R76-D88 PolarHBondContact NE-OD2 2.9Å; R76-D88 IonicContact NH2-OD2 3.02Å; R76-D88 PolarHBondContact NH2-OD2 3.26Å; T84-D88 PolarHBondContact O-N 2.93Å; L85-D88 WeakPolarHBondContact O-CB 3.25Å; L85-D88 PolarHBondContact O-N 3.29Å; M86-D88 VanDerWaalsContact C-N 3.31Å; M86-D88 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-N 3.33Å; D88-T92 WeakPolarHBondContact O-CB 3.49Å; D88-T92 VanDerWaalsContact O-CG2 3.31Å; D88-T92 WeakPolarHBondContact O-CG2 3.13Å; D88-T92 PolarHBondContact O-N 2.71Å; D88-T92 PolarHBondContact O-OG1 2.92Å
89	V	98.4	Very high	97	Very high	48 Å²	48	59.5 Å²	59.5	29%	0.291	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-55.8	177.5	173	0	0	0	0	110.6	L69 L85 M86 T91 T92 C93	L69-V89 HydrophobicContact CD1-CG2 4.07Å; L69-V89 HydrophobicContact CD2-CG2 3.89Å; L85-V89 WeakPolarHBondContact O-CG2 3.24Å; L85-V89 PolarHBondContact O-N 3.42Å; M86-V89 PolarHBondContact O-N 3.03Å; V89-T91 VanDerWaalsContact C-N 3.34Å; V89-T91 PolarHBondContact O-N 2.85Å; V89-T92 PolarHBondContact O-N 3.2Å; V89-T92 PolarHBondContact O-OG1 3.26Å; V89-T92 VanDerWaalsContact O-OG1 3.06Å; V89-C93 WeakPolarHBondContact O-CB 3.48Å; V89-C93 PolarHBondContact O-N 3.13Å; V89-C93 PolarHBondContact O-SG 3.01Å
90	C	98.4	Very high	97.2	Very high	51 Å²	51	57.4 Å²	57.4	35%	0.345	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-44.3	-179.8	-69.3	0	0	0	0	111.9	M86 T92 C93 F94	M86-C90 WeakPolarHBondContact O-CB 3.31Å; M86-C90 PolarHBondContact O-N 2.83Å; M86-C90 PolarHBondContact O-SG 3.42Å; M86-C90 VanDerWaalsContact O-SG 3.39Å; C90-T92 VanDerWaalsContact C-N 3.33Å; C90-T92 PolarHBondContact O-N 3.44Å; C90-C93 PolarHBondContact O-N 3.37Å; C90-F94 HydrophobicContact CB-CD2 4.18Å; C90-F94 HydrophobicContact CB-CE2 4.34Å; C90-F94 WeakPolarHBondContact O-CB 3.16Å; C90-F94 WeakPolarHBondContact O-CD2 3.11Å; C90-F94 PolarHBondContact O-N 3.36Å
91	T	98.2	Very high	97.4	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-41.4	-179.7	-58.9	0	0	0	0	111.4	L27 N87 D88 V89 C95 A99	L27-T91 HydrophobicContact CD1-CG2 3.63Å; L27-T91 HydrophobicContact CD2-CG2 3.81Å; L27-T91 HydrophobicContact CG-CG2 4.39Å; N87-T91 WeakPolarHBondContact O-CB 3.25Å; N87-T91 PolarHBondContact O-N 3.18Å; N87-T91 PolarHBondContact O-OG1 2.9Å; N87-T91 PolarHBondContact OD1-OG1 3.3Å; D88-T91 PolarHBondContact O-N 3.33Å; V89-T91 VanDerWaalsContact C-N 3.34Å; V89-T91 PolarHBondContact O-N 2.85Å; T91-C95 CarbonylContact O-C 3.51Å; T91-C95 VanDerWaalsContact O-CA 3.24Å; T91-C95 WeakPolarHBondContact O-CA 3.43Å; T91-C95 VanDerWaalsContact O-CB 3.29Å; T91-C95 WeakPolarHBondContact O-CB 3.48Å; T91-C95 PolarHBondContact O-N 3.43Å; T91-A99 HydrophobicContact CG2-CB 4.02Å
92	T	97.4	Very high	97.4	Very high	21 Å²	21	53.7 Å²	53.7	13%	0.129	30%	0.301	C	S	.	.	H	α-helix	trans	-76.8	-31.8	179.6	54.5	0	0	0	0	113.2	I68 L69 D88 V89 C90 G96 A99	I68-T92 HydrophobicContact CG2-CG2 3.64Å; L69-T92 HydrophobicContact CB-CG2 4.31Å; L69-T92 HydrophobicContact CD1-CG2 4.38Å; D88-T92 WeakPolarHBondContact O-CB 3.49Å; D88-T92 VanDerWaalsContact O-CG2 3.31Å; D88-T92 WeakPolarHBondContact O-CG2 3.13Å; D88-T92 PolarHBondContact O-N 2.71Å; D88-T92 PolarHBondContact O-OG1 2.92Å; V89-T92 PolarHBondContact O-N 3.2Å; V89-T92 PolarHBondContact O-OG1 3.26Å; V89-T92 VanDerWaalsContact O-OG1 3.06Å; C90-T92 VanDerWaalsContact C-N 3.33Å; C90-T92 PolarHBondContact O-N 3.44Å; T92-G96 WeakPolarHBondContact O-CA 3.38Å; T92-G96 PolarHBondContact O-N 3.5Å; T92-A99 HydrophobicContact CG2-CB 3.99Å
93	C	96.2	Very high	97.6	Very high	92 Å²	92	49 Å²	49	62%	0.622	28%	0.278	S	S	*	.	H	α-helix	trans	-71.1	-45.8	175.5	-70.7	0	0	0	0	112.8	V89 C90	V89-C93 WeakPolarHBondContact O-CB 3.48Å; V89-C93 PolarHBondContact O-N 3.13Å; V89-C93 PolarHBondContact O-SG 3.01Å; C90-C93 PolarHBondContact O-N 3.37Å
94	F	96.7	Very high	97.7	Very high	168 Å²	168	48.2 Å²	48.2	74%	0.737	27%	0.265	S	S	*	.	H	α-helix	trans	-93.6	-25.4	-174	-62.2	-66.4	0	0	0	113.4	C90	C90-F94 HydrophobicContact CB-CD2 4.18Å; C90-F94 HydrophobicContact CB-CE2 4.34Å; C90-F94 WeakPolarHBondContact O-CB 3.16Å; C90-F94 WeakPolarHBondContact O-CD2 3.11Å; C90-F94 PolarHBondContact O-N 3.36Å
95	C	96.6	Very high	97.8	Very high	41 Å²	41	45.2 Å²	45.2	28%	0.277	24%	0.244	S	C	.	.	S	Bend	trans	-134.6	38.9	-173.3	-61.9	0	0	0	0	111.6	L27 T91 Q97 L98 A99	L27-C95 HydrophobicContact CD2-CB 3.85Å; T91-C95 CarbonylContact O-C 3.51Å; T91-C95 VanDerWaalsContact O-CA 3.24Å; T91-C95 WeakPolarHBondContact O-CA 3.43Å; T91-C95 VanDerWaalsContact O-CB 3.29Å; T91-C95 WeakPolarHBondContact O-CB 3.48Å; T91-C95 PolarHBondContact O-N 3.43Å; C95-Q97 PolarHBondContact O-N 3.34Å; C95-L98 HydrophobicContact CB-CB 4.23Å; C95-L98 HydrophobicContact CB-CD1 4.21Å; C95-L98 WeakPolarHBondContact O-CB 3.3Å; C95-L98 PolarHBondContact O-N 3.18Å; C95-A99 PolarHBondContact O-N 3.49Å
96	G	95.3	Very high	97.8	Very high	15 Å²	15	40.3 Å²	40.3	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-51.9	-44.8	-171	0	0	0	0	0	114.8	T92 A99 I100	T92-G96 WeakPolarHBondContact O-CA 3.38Å; T92-G96 PolarHBondContact O-N 3.5Å; G96-A99 WeakPolarHBondContact O-CB 3.39Å; G96-A99 PolarHBondContact O-N 3.24Å; G96-I100 VanDerWaalsContact O-CG1 3.32Å; G96-I100 WeakPolarHBondContact O-CG1 3.49Å; G96-I100 PolarHBondContact O-N 2.92Å
97	Q	96.3	Very high	97.7	Very high	95 Å²	95	34.5 Å²	34.5	44%	0.444	19%	0.19	S	C	.	.	H	α-helix	trans	-65.7	-42.2	178.3	-62.2	79.1	17.9	0	0	111.9	V40 C95 A99 I100 C101	V40-Q97 HydrophobicContact CG1-CB 3.78Å; V40-Q97 HydrophobicContact CG1-CG 4.14Å; C95-Q97 PolarHBondContact O-N 3.34Å; Q97-A99 VanDerWaalsContact C-N 3.31Å; Q97-A99 PolarHBondContact O-N 2.93Å; Q97-I100 PolarHBondContact O-N 2.99Å; Q97-C101 PolarHBondContact O-N 2.86Å; Q97-C101 VanDerWaalsContact O-N 3.1Å; Q97-C101 PolarHBondContact O-SG 3.41Å
98	L	97.4	Very high	97.7	Very high	46 Å²	46	33.7 Å²	33.7	24%	0.241	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-38.2	176.2	-58.9	-179.6	0	0	0	111.3	L27 C30 C95 I100 C101 Q102	L27-L98 HydrophobicContact CD1-CB 3.79Å; L27-L98 HydrophobicContact CG-CB 3.82Å; L27-L98 HydrophobicContact CG-CD1 4.36Å; C30-L98 WeakPolarHBondContact SG-CD2 3.43Å; C95-L98 HydrophobicContact CB-CB 4.23Å; C95-L98 HydrophobicContact CB-CD1 4.21Å; C95-L98 WeakPolarHBondContact O-CB 3.3Å; C95-L98 PolarHBondContact O-N 3.18Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 2.94Å; L98-C101 PolarHBondContact O-N 3.37Å; L98-Q102 WeakPolarHBondContact O-CB 3.15Å; L98-Q102 PolarHBondContact O-N 3.4Å
99	A	98.4	Very high	97.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-41.1	176.2	0	0	0	0	0	111.7	L27 I68 T91 T92 C95 G96 Q97 L103	L27-A99 HydrophobicContact CD1-CB 4.44Å; I68-A99 HydrophobicContact CG2-CB 4.47Å; T91-A99 HydrophobicContact CG2-CB 4.02Å; T92-A99 HydrophobicContact CG2-CB 3.99Å; C95-A99 PolarHBondContact O-N 3.49Å; G96-A99 WeakPolarHBondContact O-CB 3.39Å; G96-A99 PolarHBondContact O-N 3.24Å; Q97-A99 VanDerWaalsContact C-N 3.31Å; Q97-A99 PolarHBondContact O-N 2.93Å; A99-L103 VanDerWaalsContact O-CB 3.23Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.21Å
100	I	98.5	Very high	97.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-45.7	173.7	-63.8	161.1	0	0	0	110.5	V40 P44 Y47 M48 L51 I68 G96 Q97 L98 L103 K104	V40-I100 HydrophobicContact CG1-CB 4.12Å; V40-I100 HydrophobicContact CG1-CD1 4.06Å; V40-I100 HydrophobicContact CG1-CG2 4.19Å; V40-I100 HydrophobicContact CG2-CB 4.37Å; V40-I100 HydrophobicContact CG2-CG2 3.66Å; P44-I100 HydrophobicContact CB-CD1 4.27Å; Y47-I100 HydrophobicContact CD1-CG2 3.59Å; Y47-I100 HydrophobicContact CE1-CG2 4.11Å; M48-I100 HydrophobicContact CG-CD1 3.55Å; M48-I100 HydrophobicContact CG-CG1 3.95Å; M48-I100 HydrophobicContact SD-CD1 3.9Å; M48-I100 HydrophobicContact SD-CG1 4.42Å; L51-I100 HydrophobicContact CD2-CG2 4.38Å; I68-I100 HydrophobicContact CB-CG1 3.88Å; I68-I100 HydrophobicContact CD1-CG1 4.41Å; I68-I100 HydrophobicContact CG1-CG1 3.8Å; I68-I100 HydrophobicContact CG2-CG1 3.97Å; G96-I100 VanDerWaalsContact O-CG1 3.32Å; G96-I100 WeakPolarHBondContact O-CG1 3.49Å; G96-I100 PolarHBondContact O-N 2.92Å; Q97-I100 PolarHBondContact O-N 2.99Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 2.94Å; I100-L103 PolarHBondContact O-N 3.02Å; I100-K104 WeakPolarHBondContact O-CB 3.33Å; I100-K104 PolarHBondContact O-N 3.01Å
101	C	98.4	Very high	97.3	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-45.5	-179.3	-59.6	0	0	0	0	111.9	T36 C37 Q97 L98 L103 K104 R105	T36-C101 HydrophobicContact CG2-CB 4.42Å; C37-C101 PolarHBondContact SG-SG 3.15Å; Q97-C101 PolarHBondContact O-N 2.86Å; Q97-C101 VanDerWaalsContact O-N 3.1Å; Q97-C101 PolarHBondContact O-SG 3.41Å; L98-C101 PolarHBondContact O-N 3.37Å; C101-L103 VanDerWaalsContact C-N 3.33Å; C101-L103 PolarHBondContact O-N 3.26Å; C101-K104 PolarHBondContact O-N 2.77Å; C101-R105 WeakPolarHBondContact O-CG 3.31Å; C101-R105 PolarHBondContact O-N 3.5Å
102	Q	98.5	Very high	97.1	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-47.1	175.4	-177.3	-175.7	48.7	0	0	111	W23 S25 L27 L98 K104 R105 D106	W23-Q102 HydrophobicContact CD2-CG 4.3Å; W23-Q102 HydrophobicContact CE3-CG 4.17Å; W23-Q102 HydrophobicContact CG-CG 4.47Å; S25-Q102 PolarHBondContact O-NE2 3.32Å; L27-Q102 HydrophobicContact CD1-CB 4.21Å; L98-Q102 WeakPolarHBondContact O-CB 3.15Å; L98-Q102 PolarHBondContact O-N 3.4Å; Q102-K104 VanDerWaalsContact C-N 3.34Å; Q102-K104 PolarHBondContact O-N 3.06Å; Q102-R105 PolarHBondContact O-N 2.88Å; Q102-D106 WeakPolarHBondContact O-CB 3.44Å; Q102-D106 PolarHBondContact O-N 3.44Å
103	L	98.6	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-43.1	179.1	178	60	0	0	0	111.6	W23 L51 I68 L71 R72 H75 A99 I100 C101 D106 I107	W23-L103 HydrophobicContact CH2-CD1 4.32Å; W23-L103 HydrophobicContact CZ3-CD1 4.09Å; L51-L103 HydrophobicContact CD2-CB 4.39Å; L51-L103 HydrophobicContact CD2-CD2 3.87Å; L51-L103 HydrophobicContact CD2-CG 3.98Å; I68-L103 HydrophobicContact CD1-CD2 3.79Å; I68-L103 HydrophobicContact CG1-CD2 3.79Å; L71-L103 HydrophobicContact CB-CD2 4.17Å; L71-L103 HydrophobicContact CD2-CD2 4.07Å; L71-L103 HydrophobicContact CG-CD2 3.98Å; R72-L103 HydrophobicContact CB-CD2 4.44Å; H75-L103 HydrophobicContact CB-CD1 3.57Å; H75-L103 VanDerWaalsContact CG-CD1 3.5Å; A99-L103 VanDerWaalsContact O-CB 3.23Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.21Å; I100-L103 PolarHBondContact O-N 3.02Å; C101-L103 VanDerWaalsContact C-N 3.33Å; C101-L103 PolarHBondContact O-N 3.26Å; L103-D106 PolarHBondContact O-N 3.02Å; L103-I107 HydrophobicContact CD1-CD1 4.03Å; L103-I107 HydrophobicContact CD1-CG1 4.24Å; L103-I107 HydrophobicContact CG-CD1 3.86Å; L103-I107 WeakPolarHBondContact O-CB 3.16Å; L103-I107 WeakPolarHBondContact O-CG1 3.39Å; L103-I107 PolarHBondContact O-N 3.14Å
104	K	98.3	Very high	96.4	Very high	17 Å²	17	45.7 Å²	45.7	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-47.9	175.4	166.1	61.9	166.4	50.4	0	112.1	D33 T36 Y47 L51 I100 C101 Q102 D106 I107 D108	D33-K104 IonicContact OD2-NZ 2.63Å; D33-K104 PolarHBondContact OD2-NZ 3.24Å; D33-K104 VanDerWaalsContact OD2-NZ 3.12Å; T36-K104 HydrophobicContact CG2-CB 4.26Å; T36-K104 HydrophobicContact CG2-CG 3.87Å; Y47-K104 HydrophobicContact CE1-CB 4.31Å; Y47-K104 HydrophobicContact CE1-CG 4.33Å; Y47-K104 VanDerWaalsContact OH-CE 3.23Å; Y47-K104 WeakPolarHBondContact OH-CE 3.18Å; Y47-K104 WeakPolarHBondContact OH-CG 3.08Å; L51-K104 HydrophobicContact CD1-CB 4.3Å; L51-K104 HydrophobicContact CD1-CD 4.12Å; L51-K104 HydrophobicContact CD2-CB 4.41Å; I100-K104 WeakPolarHBondContact O-CB 3.33Å; I100-K104 PolarHBondContact O-N 3.01Å; C101-K104 PolarHBondContact O-N 2.77Å; Q102-K104 VanDerWaalsContact C-N 3.34Å; Q102-K104 PolarHBondContact O-N 3.06Å; K104-D106 VanDerWaalsContact C-N 3.26Å; K104-D106 PolarHBondContact O-N 2.75Å; K104-I107 PolarHBondContact O-N 2.97Å; K104-D108 VanDerWaalsContact CE-OD2 3.31Å; K104-D108 WeakPolarHBondContact CE-OD2 3.38Å; K104-D108 IonicContact NZ-OD2 3.71Å; K104-D108 PolarHBondContact NZ-OD2 3.09Å; K104-D108 PolarHBondContact O-N 3.16Å; K104-D108 VanDerWaalsContact O-N 3.11Å
105	R	98.1	Very high	95.7	Very high	21 Å²	21	44.9 Å²	44.9	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-40.5	177.1	-70.3	-172	-60.4	-90.6	2.5	111.3	S25 G26 L27 A29 D33 C101 Q102 D108 Y109	S25-R105 PolarHBondContact OG-NE 3.35Å; G26-R105 PolarHBondContact O-NH2 3.46Å; L27-R105 PolarHBondContact O-NH2 2.89Å; A29-R105 VanDerWaalsContact O-CZ 3.29Å; A29-R105 PolarHBondContact O-NH1 2.69Å; A29-R105 VanDerWaalsContact O-NH1 3.15Å; D33-R105 HydrophobicContact CB-CG 4.04Å; C101-R105 WeakPolarHBondContact O-CG 3.31Å; C101-R105 PolarHBondContact O-N 3.5Å; Q102-R105 PolarHBondContact O-N 2.88Å; R105-D108 PolarHBondContact O-N 3.36Å; R105-Y109 WeakPolarHBondContact O-CB 3.45Å; R105-Y109 PolarHBondContact O-N 3.23Å
106	D	98.3	Very high	94.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.6	-33.8	-178.5	-157.9	89.7	0	0	0	114.2	R21 W23 S24 H75 I81 Q102 L103 K104 D108 Y109 T110	R21-D106 IonicContact CZ-OD1 3.8Å; R21-D106 IonicContact CZ-OD2 2.66Å; R21-D106 IonicContact NH1-OD1 3.9Å; R21-D106 PolarHBondContact NH1-OD1 3.44Å; R21-D106 IonicContact NH1-OD2 3.57Å; R21-D106 PolarHBondContact NH1-OD2 3.19Å; R21-D106 IonicContact NH2-OD1 2.72Å; R21-D106 IonicContact NH2-OD2 3.52Å; R21-D106 PolarHBondContact NH2-OD2 3.28Å; W23-D106 HydrophobicContact CE3-CB 3.67Å; W23-D106 HydrophobicContact CZ3-CB 3.95Å; S24-D106 WeakPolarHBondContact CB-OD1 3.24Å; S24-D106 PolarHBondContact N-OD1 3.05Å; S24-D106 VanDerWaalsContact OG-CA 3.26Å; S24-D106 WeakPolarHBondContact OG-CA 3.43Å; S24-D106 WeakPolarHBondContact OG-CB 3.42Å; S24-D106 PolarHBondContact OG-OD1 3.01Å; H75-D106 IonicContact CD2-OD2 2.68Å; H75-D106 IonicContact CE1-OD2 2.69Å; H75-D106 IonicContact NE2-OD2 2.88Å; H75-D106 PolarHBondContact NE2-OD2 3.05Å; I81-D106 WeakPolarHBondContact CD1-OD2 3.42Å; Q102-D106 WeakPolarHBondContact O-CB 3.44Å; Q102-D106 PolarHBondContact O-N 3.44Å; L103-D106 PolarHBondContact O-N 3.02Å; K104-D106 VanDerWaalsContact C-N 3.26Å; K104-D106 PolarHBondContact O-N 2.75Å; D106-D108 VanDerWaalsContact C-N 3.29Å; D106-D108 PolarHBondContact O-N 2.68Å; D106-Y109 PolarHBondContact O-N 2.86Å; D106-T110 VanDerWaalsContact O-CB 3.31Å; D106-T110 WeakPolarHBondContact O-CB 3.34Å; D106-T110 PolarHBondContact O-N 3.33Å; D106-T110 PolarHBondContact O-OG1 2.68Å
107	I	97.9	Very high	92.9	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-43.9	168.7	-76	164.3	0	0	0	110.2	L51 K54 E55 L103 K104 T110 K111	L51-I107 HydrophobicContact CD1-CD1 3.63Å; L51-I107 HydrophobicContact CD2-CD1 4.2Å; L51-I107 HydrophobicContact CG-CD1 3.88Å; K54-I107 HydrophobicContact CD-CG2 4.46Å; E55-I107 HydrophobicContact CG-CD1 3.71Å; E55-I107 HydrophobicContact CG-CG1 4.38Å; E55-I107 WeakPolarHBondContact OE1-CG2 3.48Å; L103-I107 HydrophobicContact CD1-CD1 4.03Å; L103-I107 HydrophobicContact CD1-CG1 4.24Å; L103-I107 HydrophobicContact CG-CD1 3.86Å; L103-I107 WeakPolarHBondContact O-CB 3.16Å; L103-I107 WeakPolarHBondContact O-CG1 3.39Å; L103-I107 PolarHBondContact O-N 3.14Å; K104-I107 PolarHBondContact O-N 2.97Å; I107-T110 PolarHBondContact O-N 3.45Å; I107-K111 HydrophobicContact CG2-CD 3.95Å; I107-K111 WeakPolarHBondContact O-CB 3.31Å; I107-K111 WeakPolarHBondContact O-CG 3.42Å; I107-K111 PolarHBondContact O-N 2.95Å
108	D	96.8	Very high	92.7	Very high	57 Å²	57	57.5 Å²	57.5	31%	0.305	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-42.8	-179.9	-67.8	-20.4	0	0	0	112	K54 K104 R105 D106 T110 K111 S112	K54-D108 IonicContact NZ-OD1 3.12Å; K54-D108 PolarHBondContact NZ-OD1 3.15Å; K104-D108 VanDerWaalsContact CE-OD2 3.31Å; K104-D108 WeakPolarHBondContact CE-OD2 3.38Å; K104-D108 IonicContact NZ-OD2 3.71Å; K104-D108 PolarHBondContact NZ-OD2 3.09Å; K104-D108 PolarHBondContact O-N 3.16Å; K104-D108 VanDerWaalsContact O-N 3.11Å; R105-D108 PolarHBondContact O-N 3.36Å; D106-D108 VanDerWaalsContact C-N 3.29Å; D106-D108 PolarHBondContact O-N 2.68Å; D108-T110 VanDerWaalsContact C-N 3.33Å; D108-T110 PolarHBondContact O-N 2.79Å; D108-K111 PolarHBondContact O-N 3.5Å; D108-S112 PolarHBondContact O-N 3.06Å
109	Y	96.7	Very high	92.5	Very high	102 Å²	102	58.1 Å²	58.1	40%	0.4	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-45.2	172.3	172.7	-100.5	0	0	0	112.4	S24 R105 D106 K111 S112 I113	S24-Y109 VanDerWaalsContact CB-CG 3.42Å; R105-Y109 WeakPolarHBondContact O-CB 3.45Å; R105-Y109 PolarHBondContact O-N 3.23Å; D106-Y109 PolarHBondContact O-N 2.86Å; Y109-K111 VanDerWaalsContact C-N 3.32Å; Y109-K111 PolarHBondContact O-N 3.18Å; Y109-S112 PolarHBondContact O-N 3.21Å; Y109-S112 PolarHBondContact O-OG 3.49Å; Y109-I113 HydrophobicContact CD1-CD1 3.92Å; Y109-I113 HydrophobicContact CD2-CD1 4.48Å; Y109-I113 HydrophobicContact CE1-CD1 3.34Å; Y109-I113 HydrophobicContact CE2-CD1 3.97Å; Y109-I113 HydrophobicContact CG-CD1 4.46Å; Y109-I113 PolarHBondContact O-N 2.92Å; Y109-I113 VanDerWaalsContact O-N 3.16Å
110	T	96.2	Very high	92.1	Very high	19 Å²	19	61.2 Å²	61.2	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-39.2	178.5	-60.2	0	0	0	0	111.4	R21 H79 D106 I107 D108 R114	R21-T110 PolarHBondContact NH2-OG1 3.46Å; H79-T110 WeakPolarHBondContact CE1-CG2 3.35Å; H79-T110 VanDerWaalsContact ND1-CG2 3.31Å; H79-T110 WeakPolarHBondContact ND1-CG2 3.1Å; D106-T110 VanDerWaalsContact O-CB 3.31Å; D106-T110 WeakPolarHBondContact O-CB 3.34Å; D106-T110 PolarHBondContact O-N 3.33Å; D106-T110 PolarHBondContact O-OG1 2.68Å; I107-T110 PolarHBondContact O-N 3.45Å; D108-T110 VanDerWaalsContact C-N 3.33Å; D108-T110 PolarHBondContact O-N 2.79Å; T110-R114 PolarHBondContact O-N 3.39Å; T110-R114 VanDerWaalsContact O-N 3.16Å
111	K	94.8	Very high	91.8	Very high	71 Å²	71	64.6 Å²	64.6	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-37.4	176.7	-77.8	172.3	173.8	166.1	0	111.6	K54 E55 I107 D108 Y109 R114 M115	K54-K111 PolarHBondContact O-NZ 3.06Å; E55-K111 IonicContact OE1-NZ 2.6Å; E55-K111 PolarHBondContact OE1-NZ 2.96Å; I107-K111 HydrophobicContact CG2-CD 3.95Å; I107-K111 WeakPolarHBondContact O-CB 3.31Å; I107-K111 WeakPolarHBondContact O-CG 3.42Å; I107-K111 PolarHBondContact O-N 2.95Å; D108-K111 PolarHBondContact O-N 3.5Å; Y109-K111 VanDerWaalsContact C-N 3.32Å; Y109-K111 PolarHBondContact O-N 3.18Å; K111-R114 PolarHBondContact O-N 2.69Å; K111-M115 WeakPolarHBondContact O-CE 3.42Å; K111-M115 WeakPolarHBondContact O-CG 3.35Å; K111-M115 PolarHBondContact O-N 2.78Å
112	S	93.7	Very high	91.4	Very high	45 Å²	45	68.4 Å²	68.4	32%	0.315	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-45.1	176.7	69.3	0	0	0	0	111.7	D108 Y109 R114 M115 E116	D108-S112 PolarHBondContact O-N 3.06Å; Y109-S112 PolarHBondContact O-N 3.21Å; Y109-S112 PolarHBondContact O-OG 3.49Å; S112-R114 VanDerWaalsContact C-N 3.31Å; S112-R114 PolarHBondContact O-N 3.2Å; S112-M115 PolarHBondContact O-N 3.03Å; S112-M115 VanDerWaalsContact O-N 3.15Å; S112-E116 PolarHBondContact O-N 3.16Å
113	I	91.8	Very high	90.9	Very high	65 Å²	65	72.4 Å²	72.4	33%	0.333	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-41.7	176.2	-66.9	165.9	0	0	0	111.5	Y109 M115 E116	Y109-I113 HydrophobicContact CD1-CD1 3.92Å; Y109-I113 HydrophobicContact CD2-CD1 4.48Å; Y109-I113 HydrophobicContact CE1-CD1 3.34Å; Y109-I113 HydrophobicContact CE2-CD1 3.97Å; Y109-I113 HydrophobicContact CG-CD1 4.46Å; Y109-I113 PolarHBondContact O-N 2.92Å; Y109-I113 VanDerWaalsContact O-N 3.16Å; I113-M115 VanDerWaalsContact C-N 3.25Å; I113-M115 PolarHBondContact O-N 3.23Å; I113-E116 PolarHBondContact O-N 3.45Å
114	R	86.1	Confident	90.3	Very high	178 Å²	178	77.6 Å²	77.6	67%	0.672	37%	0.366	S	S	*	.	H	α-helix	trans	-64.2	-30.8	179.5	-178.9	176	-66.9	-176.3	0.6	112.8	T110 K111 S112 E116	T110-R114 PolarHBondContact O-N 3.39Å; T110-R114 VanDerWaalsContact O-N 3.16Å; K111-R114 PolarHBondContact O-N 2.69Å; S112-R114 VanDerWaalsContact C-N 3.31Å; S112-R114 PolarHBondContact O-N 3.2Å; R114-E116 VanDerWaalsContact C-N 3.27Å
115	M	82.4	Confident	89.7	Confident	152 Å²	152	82.2 Å²	82.2	75%	0.749	39%	0.388	S	S	*	.	H	α-helix	trans	-78.4	-12.7	178.9	-68.8	-177.3	-65.2	0	0	113.1	K111 S112 I113	K111-M115 WeakPolarHBondContact O-CE 3.42Å; K111-M115 WeakPolarHBondContact O-CG 3.35Å; K111-M115 PolarHBondContact O-N 2.78Å; S112-M115 PolarHBondContact O-N 3.03Å; S112-M115 VanDerWaalsContact O-N 3.15Å; I113-M115 VanDerWaalsContact C-N 3.25Å; I113-M115 PolarHBondContact O-N 3.23Å
116	E	71.8	Confident	89	Confident	159 Å²	159	87.3 Å²	87.3	74%	0.743	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.1	177.4	-68	171	-173	0	0	113.3	S112 I113 R114	S112-E116 PolarHBondContact O-N 3.16Å; I113-E116 PolarHBondContact O-N 3.45Å; R114-E116 VanDerWaalsContact C-N 3.27Å
117	I	61.7	Low	88.2	Confident	198 Å²	198	95.3 Å²	95.3	100%	1.015	45%	0.452	S	S	*	.			trans	-102.6	0	178.3	-54.9	175.6	0	0	0	109.9

Retrieved 117 of 117 residues in 111.3 ms (Link to these results)

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