A0A087WWY6_HUMAN Loading...

Integrin linked kinase

AlphaFold DB , UniProt , Accession A0A087WWY6, Species HUMAN (Homo sapiens, Human), Gene ILK, Length 111 aa.

						>A0A087WWY6_HUMAN|A0A087WWY6|ILK
REGNAVAVRLWLDNTENDLNQGDDHGFSPLHWACREGRSAVVEMLIMRGARINVMNRGDDTPLHLAASHGHRDIVQKLLQYKADINAVNEHGNVPLHYACFWGQDQVAEDK
					

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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	R	46.7	Very low	59.7	Low	297 Å²	297	107.3 Å²	107.3	100%	1.121	54%	0.544	S	S	*	.				0	-22.2	0	-81.2	-179	172	127.4	-3.5	113.1
2	E	41.7	Very low	60.2	Low	164 Å²	164	98.9 Å²	98.9	77%	0.766	50%	0.502	S	S	*	.			trans	-83.3	-26.6	178.5	-71.4	173.8	168.7	0	0	115.6	N4 A5 V6	E2-N4 PolarHBondContact O-N 3.19Å; E2-N4 VanDerWaalsContact O-N 3.15Å; E2-A5 PolarHBondContact O-N 3.42Å; E2-A5 VanDerWaalsContact O-N 3.14Å; E2-V6 PolarHBondContact O-N 3.01Å
3	G	48.8	Very low	60.9	Low	61 Å²	61	98.8 Å²	98.8	63%	0.629	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-25.4	-177.1	0	0	0	0	0	115.1	A7	G3-A7 WeakPolarHBondContact O-CB 3.28Å; G3-A7 PolarHBondContact O-N 3.25Å
4	N	58.1	Low	61.5	Low	79 Å²	79	96.5 Å²	96.5	42%	0.422	49%	0.493	S	S	.	.	H	α-helix	trans	-80.6	-32.6	178.7	-157.3	-44.2	0	0	0	111.6	E2 A7 V8 R38	E2-N4 PolarHBondContact O-N 3.19Å; E2-N4 VanDerWaalsContact O-N 3.15Å; N4-A7 PolarHBondContact O-N 3.47Å; N4-V8 WeakPolarHBondContact O-CB 3.29Å; N4-V8 WeakPolarHBondContact O-CG2 3.45Å; N4-V8 PolarHBondContact O-N 2.97Å; N4-V8 WeakPolarHBondContact OD1-CG2 3.33Å; N4-R38 PolarHBondContact ND2-NH2 3.07Å; N4-R38 PolarHBondContact OD1-NH1 3.44Å
5	A	59.9	Low	61.3	Low	32 Å²	32	99.6 Å²	99.6	26%	0.264	52%	0.519	S	S	.	.	H	α-helix	trans	-70.1	-36.1	179	0	0	0	0	0	112.5	E2 R9	E2-A5 PolarHBondContact O-N 3.42Å; E2-A5 VanDerWaalsContact O-N 3.14Å; A5-R9 WeakPolarHBondContact O-CG 3.16Å; A5-R9 PolarHBondContact O-N 3.21Å
6	V	64.6	Low	61.6	Low	90 Å²	90	103.9 Å²	103.9	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-70.7	-43.3	175.3	-179.8	0	0	0	0	110.6	E2 V8 R9 L10	E2-V6 PolarHBondContact O-N 3.01Å; V6-V8 VanDerWaalsContact C-N 3.34Å; V6-V8 PolarHBondContact O-N 3.3Å; V6-R9 PolarHBondContact O-N 3Å; V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 PolarHBondContact O-N 3.42Å
7	A	66.3	Low	62	Low	56 Å²	56	100.4 Å²	100.4	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-41.7	175.7	0	0	0	0	0	112.2	G3 N4 L10 W11	G3-A7 WeakPolarHBondContact O-CB 3.28Å; G3-A7 PolarHBondContact O-N 3.25Å; N4-A7 PolarHBondContact O-N 3.47Å; A7-L10 PolarHBondContact O-N 3.33Å; A7-W11 WeakPolarHBondContact O-CB 3.38Å; A7-W11 PolarHBondContact O-N 3.37Å
8	V	67.7	Low	62.8	Low	31 Å²	31	99.6 Å²	99.6	19%	0.188	51%	0.514	C	S	.	.	H	α-helix	trans	-63.1	-43.9	174.5	169.3	0	0	0	0	111	N4 V6 L10 W11 L12 V41	N4-V8 WeakPolarHBondContact O-CB 3.29Å; N4-V8 WeakPolarHBondContact O-CG2 3.45Å; N4-V8 PolarHBondContact O-N 2.97Å; N4-V8 WeakPolarHBondContact OD1-CG2 3.33Å; V6-V8 VanDerWaalsContact C-N 3.34Å; V6-V8 PolarHBondContact O-N 3.3Å; V8-L10 PolarHBondContact O-N 2.55Å; V8-W11 PolarHBondContact O-N 2.95Å; V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.2Å; V8-L12 WeakPolarHBondContact O-CB 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.38Å; V8-L12 PolarHBondContact O-N 3.44Å; V8-V41 HydrophobicContact CG1-CG1 3.73Å; V8-V41 HydrophobicContact CG1-CG2 4.43Å
9	R	65.6	Low	63.7	Low	136 Å²	136	95.4 Å²	95.4	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-46.6	175	-76.9	-178.1	-139.3	-178.9	3.7	112.3	A5 V6 W11 L12 D13 M44	A5-R9 WeakPolarHBondContact O-CG 3.16Å; A5-R9 PolarHBondContact O-N 3.21Å; V6-R9 PolarHBondContact O-N 3Å; R9-W11 VanDerWaalsContact C-N 3.3Å; R9-W11 PolarHBondContact O-N 3.29Å; R9-L12 PolarHBondContact O-N 2.98Å; R9-L12 VanDerWaalsContact O-N 3.12Å; R9-D13 WeakPolarHBondContact O-CB 3.42Å; R9-D13 PolarHBondContact O-N 3.4Å; R9-M44 HydrophobicContact CG-CE 3.63Å; R9-M44 HydrophobicContact CG-SD 3.93Å
10	L	66.1	Low	64.5	Low	131 Å²	131	92.3 Å²	92.3	69%	0.686	48%	0.477	S	S	*	.	H	α-helix	trans	-62.4	-39.5	179.8	-149.6	95.5	0	0	0	111.6	V6 A7 V8	V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 PolarHBondContact O-N 3.42Å; A7-L10 PolarHBondContact O-N 3.33Å; V8-L10 PolarHBondContact O-N 2.55Å
11	W	71.1	Confident	65.3	Low	103 Å²	103	94.1 Å²	94.1	39%	0.39	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-38.5	174.1	-174.6	90.2	0	0	0	111.9	A7 V8 R9 N14 N17 L19 P29	A7-W11 WeakPolarHBondContact O-CB 3.38Å; A7-W11 PolarHBondContact O-N 3.37Å; V8-W11 PolarHBondContact O-N 2.95Å; R9-W11 VanDerWaalsContact C-N 3.3Å; R9-W11 PolarHBondContact O-N 3.29Å; W11-N14 PolarHBondContact O-N 3.2Å; W11-N17 HydrophobicContact CD2-CB 4.45Å; W11-N17 VanDerWaalsContact CD2-ND2 3.33Å; W11-N17 HydrophobicContact CH2-CB 4.01Å; W11-N17 HydrophobicContact CZ2-CB 3.85Å; W11-N17 HydrophobicContact CZ3-CB 4.4Å; W11-N17 PolarHBondContact NE1-ND2 3.06Å; W11-N17 PolarHBondContact O-ND2 3.34Å; W11-L19 HydrophobicContact CH2-CD2 4.39Å; W11-L19 HydrophobicContact CZ3-CD2 3.77Å; W11-P29 HydrophobicContact CH2-CG 3.51Å; W11-P29 HydrophobicContact CZ2-CG 4.42Å; W11-P29 HydrophobicContact CZ3-CB 4.28Å; W11-P29 HydrophobicContact CZ3-CG 3.61Å
12	L	66.1	Low	67.1	Low	7 Å²	7	80.8 Å²	80.8	4%	0.037	44%	0.439	C	S	.	.	H	α-helix	trans	-72.8	-28.8	178.8	-70.2	173	0	0	0	113.6	V8 R9 N14 L19 M44 L45 R48	V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.2Å; V8-L12 WeakPolarHBondContact O-CB 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.38Å; V8-L12 PolarHBondContact O-N 3.44Å; R9-L12 PolarHBondContact O-N 2.98Å; R9-L12 VanDerWaalsContact O-N 3.12Å; L12-N14 PolarHBondContact O-N 3.08Å; L12-L19 HydrophobicContact CD2-CD2 3.19Å; L12-M44 HydrophobicContact CD1-CG 4.1Å; L12-M44 HydrophobicContact CD1-SD 3.42Å; L12-M44 WeakPolarHBondContact CD1-SD 3.33Å; L12-L45 HydrophobicContact CD1-CD2 3.97Å; L12-L45 HydrophobicContact CD1-CG 4.39Å; L12-L45 HydrophobicContact CD2-CD2 3.36Å; L12-L45 HydrophobicContact CG-CD2 4.29Å; L12-R48 PolarHBondContact O-NH1 2.97Å
13	D	69.1	Low	69.2	Low	98 Å²	98	75.9 Å²	75.9	52%	0.524	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.6	176.6	-76	-23.9	0	0	0	113.2	R9 T15 R48	R9-D13 WeakPolarHBondContact O-CB 3.42Å; R9-D13 PolarHBondContact O-N 3.4Å; D13-T15 PolarHBondContact O-N 3.44Å; D13-R48 IonicContact OD1-CZ 3.18Å; D13-R48 IonicContact OD1-NH1 2.82Å; D13-R48 PolarHBondContact OD1-NH1 3.3Å; D13-R48 IonicContact OD1-NH2 2.66Å; D13-R48 PolarHBondContact OD1-NH2 3.11Å
14	N	69.6	Low	71	Confident	66 Å²	66	79.3 Å²	79.3	35%	0.353	42%	0.422	S	S	.	.			trans	-77.4	106.1	169.1	-169.3	2.7	0	0	0	110	W11 L12 E16 N17	W11-N14 PolarHBondContact O-N 3.2Å; L12-N14 PolarHBondContact O-N 3.08Å; N14-E16 PolarHBondContact O-N 2.71Å; N14-E16 VanDerWaalsContact O-N 3.09Å; N14-E16 PolarHBondContact OD1-N 3.14Å; N14-N17 PolarHBondContact ND2-OD1 3.37Å; N14-N17 WeakPolarHBondContact O-CB 3.45Å; N14-N17 PolarHBondContact O-N 3.4Å
15	T	59	Low	72.4	Confident	143 Å²	143	81.2 Å²	81.2	88%	0.877	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.6	-179	53.6	0	0	0	0	113.9	D13 N17	D13-T15 PolarHBondContact O-N 3.44Å; T15-N17 VanDerWaalsContact C-N 3.34Å
16	E	64.8	Low	73.8	Confident	169 Å²	169	80.5 Å²	80.5	79%	0.79	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.5	174.7	-60.6	-174.2	158.6	0	0	113.1	N14	N14-E16 PolarHBondContact O-N 2.71Å; N14-E16 VanDerWaalsContact O-N 3.09Å; N14-E16 PolarHBondContact OD1-N 3.14Å
17	N	68.4	Low	74.9	Confident	44 Å²	44	78.1 Å²	78.1	24%	0.235	41%	0.406	C	S	.	.	S	Bend	trans	-84.8	119.4	-177	-73.2	-3.6	0	0	0	111.8	W11 N14 T15 L19	W11-N17 HydrophobicContact CD2-CB 4.45Å; W11-N17 VanDerWaalsContact CD2-ND2 3.33Å; W11-N17 HydrophobicContact CH2-CB 4.01Å; W11-N17 HydrophobicContact CZ2-CB 3.85Å; W11-N17 HydrophobicContact CZ3-CB 4.4Å; W11-N17 PolarHBondContact NE1-ND2 3.06Å; W11-N17 PolarHBondContact O-ND2 3.34Å; N14-N17 PolarHBondContact ND2-OD1 3.37Å; N14-N17 WeakPolarHBondContact O-CB 3.45Å; N14-N17 PolarHBondContact O-N 3.4Å; T15-N17 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 3Å
18	D	77.8	Confident	76.1	Confident	85 Å²	85	75.5 Å²	75.5	46%	0.455	38%	0.384	S	S	.	.			trans	-73.5	110.6	170.7	-176	-1.9	0	0	0	110.2	N20 Q21	D18-N20 PolarHBondContact O-N 3.46Å; D18-N20 WeakPolarHBondContact OD1-CB 3.43Å; D18-N20 PolarHBondContact OD1-N 3.19Å; D18-N20 PolarHBondContact OD1-ND2 3.35Å; D18-Q21 HydrophobicContact CB-CB 3.98Å; D18-Q21 WeakPolarHBondContact O-CB 3.27Å; D18-Q21 PolarHBondContact O-N 3.13Å
19	L	79	Confident	77.2	Confident	21 Å²	21	75.5 Å²	75.5	11%	0.11	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.5	177.6	-56.5	-178	0	0	0	113.9	W11 L12 N17 P29 L45 R48 A50	W11-L19 HydrophobicContact CH2-CD2 4.39Å; W11-L19 HydrophobicContact CZ3-CD2 3.77Å; L12-L19 HydrophobicContact CD2-CD2 3.19Å; N17-L19 PolarHBondContact O-N 3Å; L19-P29 WeakPolarHBondContact O-CD 3.47Å; L19-L45 HydrophobicContact CD2-CD2 4.37Å; L19-R48 HydrophobicContact CD1-CB 3.58Å; L19-R48 WeakPolarHBondContact CD1-O 3.47Å; L19-A50 HydrophobicContact CB-CB 4.22Å
20	N	79.3	Confident	78.5	Confident	32 Å²	32	69 Å²	69	17%	0.171	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-9.3	-179.9	-48.2	-67.4	0	0	0	112.4	D18 G22 R51	D18-N20 PolarHBondContact O-N 3.46Å; D18-N20 WeakPolarHBondContact OD1-CB 3.43Å; D18-N20 PolarHBondContact OD1-N 3.19Å; D18-N20 PolarHBondContact OD1-ND2 3.35Å; N20-G22 PolarHBondContact O-N 3.45Å; N20-G22 VanDerWaalsContact O-N 3.1Å; N20-R51 WeakPolarHBondContact OD1-CB 3.38Å; N20-R51 WeakPolarHBondContact OD1-CG 3.31Å; N20-R51 PolarHBondContact OD1-N 3.38Å
21	Q	82.6	Confident	79.8	Confident	131 Å²	131	62.8 Å²	62.8	61%	0.612	33%	0.328	S	S	*	.			trans	-62.6	117.2	175.3	-178	59.5	63	0	0	108.4	D18	D18-Q21 HydrophobicContact CB-CB 3.98Å; D18-Q21 WeakPolarHBondContact O-CB 3.27Å; D18-Q21 PolarHBondContact O-N 3.13Å
22	G	82.9	Confident	80.8	Confident	18 Å²	18	63 Å²	63	19%	0.186	33%	0.329	C	S	.	.			trans	-77.9	154.9	173.2	0	0	0	0	0	111.2	N20 F27	N20-G22 PolarHBondContact O-N 3.45Å; N20-G22 VanDerWaalsContact O-N 3.1Å; G22-F27 WeakPolarHBondContact CA-O 3.14Å
23	D	85.8	Confident	82	Confident	61 Å²	61	62.8 Å²	62.8	33%	0.326	33%	0.328	S	S	.	.			trans	-68	-171.9	163.9	64.5	16.3	0	0	0	112.1	H25 G26 F27 W32	D23-H25 PolarHBondContact O-N 3.3Å; D23-H25 WeakPolarHBondContact OD1-CA 3.35Å; D23-H25 WeakPolarHBondContact OD1-CB 3.31Å; D23-H25 PolarHBondContact OD1-N 3.19Å; D23-G26 PolarHBondContact O-N 2.87Å; D23-G26 PolarHBondContact OD1-N 3.41Å; D23-F27 PolarHBondContact N-O 3.07Å; D23-F27 WeakPolarHBondContact OD1-CB 3.29Å; D23-F27 PolarHBondContact OD1-N 3.25Å; D23-W32 PolarHBondContact OD2-NE1 3.49Å
24	D	87.9	Confident	83.1	Confident	132 Å²	132	58.1 Å²	58.1	71%	0.706	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.8	177.9	-69.5	-24.8	0	0	0	113.8	R57	D24-R57 PolarHBondContact O-NE 3.48Å; D24-R57 PolarHBondContact O-NH1 2.93Å; D24-R57 PolarHBondContact O-NH2 3.25Å
25	H	86.5	Confident	84.2	Confident	119 Å²	119	59.3 Å²	59.3	55%	0.551	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	5	174.6	-61.2	-69.2	0	0	0	112.7	D23 F27 R57	D23-H25 PolarHBondContact O-N 3.3Å; D23-H25 WeakPolarHBondContact OD1-CA 3.35Å; D23-H25 WeakPolarHBondContact OD1-CB 3.31Å; D23-H25 PolarHBondContact OD1-N 3.19Å; H25-F27 VanDerWaalsContact C-N 3.27Å; H25-F27 HydrophobicContact CB-CD2 3.63Å; H25-F27 HydrophobicContact CB-CE2 3.97Å; H25-R57 WeakPolarHBondContact O-CB 3.18Å; H25-R57 WeakPolarHBondContact O-CG 3.35Å; H25-R57 PolarHBondContact O-N 2.99Å
26	G	90	Very high	85.6	Confident	18 Å²	18	56.6 Å²	56.6	19%	0.186	28%	0.28	C	S	.	.			trans	78	8.9	-176.1	0	0	0	0	0	113.6	D23 S28 N56	D23-G26 PolarHBondContact O-N 2.87Å; D23-G26 PolarHBondContact OD1-N 3.41Å; G26-S28 PolarHBondContact O-N 3.11Å; G26-N56 WeakPolarHBondContact O-CA 3.41Å
27	F	88.4	Confident	86.8	Confident	39 Å²	39	49.7 Å²	49.7	17%	0.171	26%	0.255	C	S	.	.			trans	-78.3	112.6	178.4	-75.5	-113.1	0	0	0	109.7	G22 D23 H25 H31 W32 N56 L65	G22-F27 WeakPolarHBondContact CA-O 3.14Å; D23-F27 PolarHBondContact N-O 3.07Å; D23-F27 WeakPolarHBondContact OD1-CB 3.29Å; D23-F27 PolarHBondContact OD1-N 3.25Å; H25-F27 VanDerWaalsContact C-N 3.27Å; H25-F27 HydrophobicContact CB-CD2 3.63Å; H25-F27 HydrophobicContact CB-CE2 3.97Å; F27-H31 HydrophobicContact CB-CB 4.13Å; F27-H31 HydrophobicContact CD1-CB 3.63Å; F27-H31 HydrophobicContact CE1-CB 4.46Å; F27-H31 HydrophobicContact CG-CB 4.23Å; F27-W32 HydrophobicContact CB-CZ2 4.45Å; F27-W32 VanDerWaalsContact CB-NE1 3.31Å; F27-W32 HydrophobicContact CD1-CZ2 4.49Å; F27-W32 HydrophobicContact CG-CZ2 4.44Å; F27-N56 HydrophobicContact CD2-CB 4.08Å; F27-N56 HydrophobicContact CE2-CB 4.18Å; F27-N56 VanDerWaalsContact CE2-ND2 3.29Å; F27-N56 WeakPolarHBondContact CE2-ND2 3.26Å; F27-N56 HydrophobicContact CG-CB 4.49Å; F27-N56 WeakPolarHBondContact CZ-ND2 3.43Å; F27-L65 HydrophobicContact CD1-CD1 3.96Å; F27-L65 HydrophobicContact CE1-CD1 3.58Å; F27-L65 HydrophobicContact CE1-CD2 4.22Å
28	S	91.6	Very high	87.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	26%	0.258	C	S	.	.			trans	-69.6	162.7	167.3	77.8	0	0	0	0	111.8	G26 L30 H31 W32 V54	G26-S28 PolarHBondContact O-N 3.11Å; S28-L30 PolarHBondContact O-N 2.88Å; S28-L30 VanDerWaalsContact O-N 3.11Å; S28-L30 PolarHBondContact OG-N 2.95Å; S28-H31 PolarHBondContact N-ND1 3.17Å; S28-H31 WeakPolarHBondContact O-CB 3.46Å; S28-H31 PolarHBondContact O-N 3.4Å; S28-H31 PolarHBondContact OG-N 3Å; S28-H31 PolarHBondContact OG-ND1 3.42Å; S28-W32 PolarHBondContact O-N 3.22Å; S28-V54 WeakPolarHBondContact OG-CG1 3.4Å
29	P	89.8	Confident	88.4	Confident	31 Å²	31	48.4 Å²	48.4	20%	0.201	24%	0.244	C	C	.	.	H	α-helix	trans	-49.4	-35.3	169.4	-28.6	33	0	0	0	113.9	W11 L19 W32 A33 L45	W11-P29 HydrophobicContact CH2-CG 3.51Å; W11-P29 HydrophobicContact CZ2-CG 4.42Å; W11-P29 HydrophobicContact CZ3-CB 4.28Å; W11-P29 HydrophobicContact CZ3-CG 3.61Å; L19-P29 WeakPolarHBondContact O-CD 3.47Å; P29-W32 PolarHBondContact O-N 2.86Å; P29-A33 WeakPolarHBondContact O-CB 3.47Å; P29-A33 PolarHBondContact O-N 2.93Å; P29-L45 HydrophobicContact CB-CD1 4.11Å; P29-L45 HydrophobicContact CB-CD2 3.89Å
30	L	92.6	Very high	88.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-36.5	179.1	-172.6	60	0	0	0	112.3	S28 A33 C34 V42 L45 I46 A50 P62	S28-L30 PolarHBondContact O-N 2.88Å; S28-L30 VanDerWaalsContact O-N 3.11Å; S28-L30 PolarHBondContact OG-N 2.95Å; L30-A33 PolarHBondContact O-N 3.42Å; L30-C34 WeakPolarHBondContact O-CB 3.19Å; L30-C34 PolarHBondContact O-N 3.31Å; L30-C34 PolarHBondContact O-SG 2.97Å; L30-V42 HydrophobicContact CD1-CB 4.44Å; L30-V42 HydrophobicContact CD1-CG1 4.04Å; L30-V42 HydrophobicContact CD1-CG2 4.47Å; L30-L45 HydrophobicContact CB-CD1 4.26Å; L30-L45 HydrophobicContact CD1-CB 4.13Å; L30-L45 HydrophobicContact CD1-CD1 4.14Å; L30-I46 HydrophobicContact CD1-CG1 4.19Å; L30-I46 HydrophobicContact CD2-CG1 4.43Å; L30-A50 HydrophobicContact CD2-CB 4.31Å; L30-P62 HydrophobicContact CB-CG 4.24Å; L30-P62 HydrophobicContact CD2-CB 4.23Å; L30-P62 HydrophobicContact CD2-CG 3.86Å; L30-P62 HydrophobicContact CG-CB 3.9Å; L30-P62 HydrophobicContact CG-CG 3.79Å
31	H	93.5	Very high	89.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-50.4	172.8	-70.4	102.2	0	0	0	111.3	F27 S28 A33 C34 R35 V54 N56 D60 L65	F27-H31 HydrophobicContact CB-CB 4.13Å; F27-H31 HydrophobicContact CD1-CB 3.63Å; F27-H31 HydrophobicContact CE1-CB 4.46Å; F27-H31 HydrophobicContact CG-CB 4.23Å; S28-H31 PolarHBondContact N-ND1 3.17Å; S28-H31 WeakPolarHBondContact O-CB 3.46Å; S28-H31 PolarHBondContact O-N 3.4Å; S28-H31 PolarHBondContact OG-N 3Å; S28-H31 PolarHBondContact OG-ND1 3.42Å; H31-A33 PolarHBondContact O-N 3.25Å; H31-C34 PolarHBondContact O-N 3.02Å; H31-R35 WeakPolarHBondContact O-CB 3.28Å; H31-R35 PolarHBondContact O-N 2.88Å; H31-V54 VanDerWaalsContact CE1-CG1 3.49Å; H31-V54 WeakPolarHBondContact CE1-CG1 3.15Å; H31-V54 PolarHBondContact NE2-O 3.45Å; H31-N56 PolarHBondContact NE2-N 2.87Å; H31-D60 PolarHBondContact NE2-O 3.05Å; H31-L65 HydrophobicContact CB-CD1 3.5Å
32	W	91.2	Very high	89.8	Confident	107 Å²	107	43.9 Å²	43.9	41%	0.405	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-43.3	179.1	-76.1	112.5	0	0	0	112.2	D23 F27 S28 P29 C34 R35 E36	D23-W32 PolarHBondContact OD2-NE1 3.49Å; F27-W32 HydrophobicContact CB-CZ2 4.45Å; F27-W32 VanDerWaalsContact CB-NE1 3.31Å; F27-W32 HydrophobicContact CD1-CZ2 4.49Å; F27-W32 HydrophobicContact CG-CZ2 4.44Å; S28-W32 PolarHBondContact O-N 3.22Å; P29-W32 PolarHBondContact O-N 2.86Å; W32-C34 VanDerWaalsContact C-N 3.3Å; W32-C34 PolarHBondContact O-N 3.48Å; W32-R35 PolarHBondContact O-N 3.2Å; W32-E36 VanDerWaalsContact O-CB 3.31Å; W32-E36 WeakPolarHBondContact O-CB 3.42Å; W32-E36 VanDerWaalsContact O-CG 3.22Å; W32-E36 WeakPolarHBondContact O-CG 3.42Å; W32-E36 PolarHBondContact O-N 3.45Å
33	A	91.7	Very high	90.1	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-39.1	177.2	0	0	0	0	0	112.5	P29 L30 H31 G37 R38 V41 V42 L45	P29-A33 WeakPolarHBondContact O-CB 3.47Å; P29-A33 PolarHBondContact O-N 2.93Å; L30-A33 PolarHBondContact O-N 3.42Å; H31-A33 PolarHBondContact O-N 3.25Å; A33-G37 PolarHBondContact O-N 3.26Å; A33-R38 PolarHBondContact O-N 3.09Å; A33-V41 HydrophobicContact CB-CB 4.15Å; A33-V41 HydrophobicContact CB-CG1 3.75Å; A33-V42 HydrophobicContact CB-CG2 3.66Å; A33-L45 HydrophobicContact CB-CD1 3.8Å
34	C	92.8	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.2	-43.8	177.9	-68	0	0	0	0	112.2	L30 H31 W32 E36 G37 P62 A66 H71 I74	L30-C34 WeakPolarHBondContact O-CB 3.19Å; L30-C34 PolarHBondContact O-N 3.31Å; L30-C34 PolarHBondContact O-SG 2.97Å; H31-C34 PolarHBondContact O-N 3.02Å; W32-C34 VanDerWaalsContact C-N 3.3Å; W32-C34 PolarHBondContact O-N 3.48Å; C34-E36 PolarHBondContact O-N 2.93Å; C34-G37 PolarHBondContact O-N 3.36Å; C34-P62 HydrophobicContact CB-CB 4.22Å; C34-P62 WeakPolarHBondContact CB-O 3.36Å; C34-A66 HydrophobicContact CB-CB 4.12Å; C34-H71 PolarHBondContact O-CD2 3.39Å; C34-I74 HydrophobicContact CB-CG2 4.25Å
35	R	91.8	Very high	90.4	Very high	90 Å²	90	39.2 Å²	39.2	34%	0.34	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-45	176.3	-173.6	-177.5	-177.8	-87.8	-1	112.4	H31 W32 G37 L65 H69 H71	H31-R35 WeakPolarHBondContact O-CB 3.28Å; H31-R35 PolarHBondContact O-N 2.88Å; W32-R35 PolarHBondContact O-N 3.2Å; R35-G37 VanDerWaalsContact C-N 3.28Å; R35-G37 PolarHBondContact O-N 3.11Å; R35-L65 HydrophobicContact CB-CB 4.31Å; R35-L65 HydrophobicContact CB-CD1 4.4Å; R35-H69 WeakPolarHBondContact CG-NE2 3.41Å; R35-H71 PolarHBondContact O-NE2 2.91Å
36	E	90.1	Very high	90.6	Very high	86 Å²	86	34.3 Å²	34.3	40%	0.402	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.3	-174.7	-63.6	-63.1	130.8	0	0	114	W32 C34 R38	W32-E36 VanDerWaalsContact O-CB 3.31Å; W32-E36 WeakPolarHBondContact O-CB 3.42Å; W32-E36 VanDerWaalsContact O-CG 3.22Å; W32-E36 WeakPolarHBondContact O-CG 3.42Å; W32-E36 PolarHBondContact O-N 3.45Å; C34-E36 PolarHBondContact O-N 2.93Å; E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 HydrophobicContact CB-CG 3.93Å; E36-R38 PolarHBondContact O-N 2.96Å
37	G	90	Very high	90.5	Very high	25 Å²	25	39.5 Å²	39.5	26%	0.258	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	27.5	178.7	0	0	0	0	0	113.9	A33 C34 R35 S39 H71 I74	A33-G37 PolarHBondContact O-N 3.26Å; C34-G37 PolarHBondContact O-N 3.36Å; R35-G37 VanDerWaalsContact C-N 3.28Å; R35-G37 PolarHBondContact O-N 3.11Å; G37-S39 PolarHBondContact O-N 3.21Å; G37-H71 WeakPolarHBondContact CA-NE2 3.42Å; G37-H71 PolarHBondContact N-NE2 3.12Å; G37-I74 VanDerWaalsContact C-CD1 3.43Å; G37-I74 VanDerWaalsContact CA-CD1 3.46Å
38	R	89.9	Confident	90.4	Very high	78 Å²	78	43.2 Å²	43.2	29%	0.294	21%	0.214	S	C	.	.			trans	-93.1	70.7	-174	-61.8	-176.7	-174.3	-174.7	3.8	112.1	N4 A33 E36 A40 V41 V42	N4-R38 PolarHBondContact ND2-NH2 3.07Å; N4-R38 PolarHBondContact OD1-NH1 3.44Å; A33-R38 PolarHBondContact O-N 3.09Å; E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 HydrophobicContact CB-CG 3.93Å; E36-R38 PolarHBondContact O-N 2.96Å; R38-A40 VanDerWaalsContact C-N 3.25Å; R38-A40 PolarHBondContact O-N 2.78Å; R38-A40 VanDerWaalsContact O-N 3.11Å; R38-V41 HydrophobicContact CB-CB 3.93Å; R38-V41 HydrophobicContact CB-CG2 4.01Å; R38-V41 WeakPolarHBondContact O-CA 3.48Å; R38-V41 WeakPolarHBondContact O-CB 3.34Å; R38-V41 PolarHBondContact O-N 3.19Å; R38-V42 PolarHBondContact O-N 2.99Å
39	S	89.6	Confident	90.2	Very high	23 Å²	23	45.7 Å²	45.7	16%	0.161	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-31.6	-171.7	-38.2	0	0	0	0	114.8	G37 E43 D73 I74 K77	G37-S39 PolarHBondContact O-N 3.21Å; S39-E43 PolarHBondContact O-N 2.81Å; S39-D73 WeakPolarHBondContact CB-OD2 3.39Å; S39-D73 PolarHBondContact OG-OD2 2.99Å; S39-I74 VanDerWaalsContact OG-CG1 3.31Å; S39-I74 WeakPolarHBondContact OG-CG1 3.22Å; S39-K77 PolarHBondContact O-NZ 3.04Å
40	A	89.1	Confident	90.2	Very high	73 Å²	73	44.5 Å²	44.5	60%	0.603	23%	0.232	S	C	*	.	H	α-helix	trans	-72.5	-34.1	174.8	0	0	0	0	0	112.8	R38 M44	R38-A40 VanDerWaalsContact C-N 3.25Å; R38-A40 PolarHBondContact O-N 2.78Å; R38-A40 VanDerWaalsContact O-N 3.11Å; A40-M44 WeakPolarHBondContact O-CB 3.25Å; A40-M44 PolarHBondContact O-N 3.41Å
41	V	88.8	Confident	90.1	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-74.4	-41.1	176.9	177.2	0	0	0	0	110.2	V8 A33 R38 E43 M44 L45	V8-V41 HydrophobicContact CG1-CG1 3.73Å; V8-V41 HydrophobicContact CG1-CG2 4.43Å; A33-V41 HydrophobicContact CB-CB 4.15Å; A33-V41 HydrophobicContact CB-CG1 3.75Å; R38-V41 HydrophobicContact CB-CB 3.93Å; R38-V41 HydrophobicContact CB-CG2 4.01Å; R38-V41 WeakPolarHBondContact O-CA 3.48Å; R38-V41 WeakPolarHBondContact O-CB 3.34Å; R38-V41 PolarHBondContact O-N 3.19Å; V41-E43 VanDerWaalsContact C-N 3.32Å; V41-E43 PolarHBondContact O-N 3.02Å; V41-M44 PolarHBondContact O-N 3.47Å; V41-L45 HydrophobicContact CG1-CD1 3.81Å; V41-L45 HydrophobicContact CG1-CG 4.2Å; V41-L45 WeakPolarHBondContact O-CB 3.38Å; V41-L45 VanDerWaalsContact O-CG 3.26Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.49Å
42	V	91.1	Very high	90.1	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-54.2	-50.4	174.3	170.8	0	0	0	0	110.9	L30 A33 R38 M44 L45 I46 I74 L78	L30-V42 HydrophobicContact CD1-CB 4.44Å; L30-V42 HydrophobicContact CD1-CG1 4.04Å; L30-V42 HydrophobicContact CD1-CG2 4.47Å; A33-V42 HydrophobicContact CB-CG2 3.66Å; R38-V42 PolarHBondContact O-N 2.99Å; V42-M44 PolarHBondContact O-N 3.26Å; V42-L45 PolarHBondContact O-N 3.32Å; V42-I46 HydrophobicContact CG1-CD1 3.72Å; V42-I46 VanDerWaalsContact O-CG1 3.29Å; V42-I46 WeakPolarHBondContact O-CG1 3.45Å; V42-I46 PolarHBondContact O-N 3.25Å; V42-I74 HydrophobicContact CG1-CG2 4.25Å; V42-I74 HydrophobicContact CG2-CD1 4.15Å; V42-I74 HydrophobicContact CG2-CG2 4.04Å; V42-L78 HydrophobicContact CG1-CD2 4.3Å
43	E	90.9	Very high	90.1	Very high	66 Å²	66	52.5 Å²	52.5	31%	0.308	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-44.2	-179.4	-174.9	167.7	-169.5	0	0	112.1	S39 V41 L45 I46 M47 K77	S39-E43 PolarHBondContact O-N 2.81Å; V41-E43 VanDerWaalsContact C-N 3.32Å; V41-E43 PolarHBondContact O-N 3.02Å; E43-L45 PolarHBondContact O-N 2.88Å; E43-I46 PolarHBondContact O-N 3.48Å; E43-M47 HydrophobicContact CG-CE 3.56Å; E43-M47 HydrophobicContact CG-SD 4.18Å; E43-M47 WeakPolarHBondContact O-CB 3.29Å; E43-M47 VanDerWaalsContact O-CG 3.28Å; E43-M47 WeakPolarHBondContact O-CG 3.36Å; E43-M47 PolarHBondContact O-N 3.38Å; E43-M47 WeakPolarHBondContact OE1-CE 3.4Å; E43-K77 IonicContact OE2-NZ 2.71Å; E43-K77 PolarHBondContact OE2-NZ 2.76Å
44	M	89.2	Confident	90.1	Very high	47 Å²	47	53.5 Å²	53.5	23%	0.232	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-44.1	175.9	-174.4	-170.4	-56.6	0	0	112.4	R9 L12 A40 V41 V42 M47 R48	R9-M44 HydrophobicContact CG-CE 3.63Å; R9-M44 HydrophobicContact CG-SD 3.93Å; L12-M44 HydrophobicContact CD1-CG 4.1Å; L12-M44 HydrophobicContact CD1-SD 3.42Å; L12-M44 WeakPolarHBondContact CD1-SD 3.33Å; A40-M44 WeakPolarHBondContact O-CB 3.25Å; A40-M44 PolarHBondContact O-N 3.41Å; V41-M44 PolarHBondContact O-N 3.47Å; V42-M44 PolarHBondContact O-N 3.26Å; M44-M47 PolarHBondContact O-N 3.24Å; M44-R48 WeakPolarHBondContact O-CG 3.37Å; M44-R48 PolarHBondContact O-N 3.48Å; M44-R48 VanDerWaalsContact O-N 3.09Å
45	L	89.6	Confident	90.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-45.9	178.7	-75.2	169.5	0	0	0	111.6	L12 L19 P29 L30 A33 V41 V42 E43 R48 G49 A50	L12-L45 HydrophobicContact CD1-CD2 3.97Å; L12-L45 HydrophobicContact CD1-CG 4.39Å; L12-L45 HydrophobicContact CD2-CD2 3.36Å; L12-L45 HydrophobicContact CG-CD2 4.29Å; L19-L45 HydrophobicContact CD2-CD2 4.37Å; P29-L45 HydrophobicContact CB-CD1 4.11Å; P29-L45 HydrophobicContact CB-CD2 3.89Å; L30-L45 HydrophobicContact CB-CD1 4.26Å; L30-L45 HydrophobicContact CD1-CB 4.13Å; L30-L45 HydrophobicContact CD1-CD1 4.14Å; A33-L45 HydrophobicContact CB-CD1 3.8Å; V41-L45 HydrophobicContact CG1-CD1 3.81Å; V41-L45 HydrophobicContact CG1-CG 4.2Å; V41-L45 WeakPolarHBondContact O-CB 3.38Å; V41-L45 VanDerWaalsContact O-CG 3.26Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.49Å; V42-L45 PolarHBondContact O-N 3.32Å; E43-L45 PolarHBondContact O-N 2.88Å; L45-R48 PolarHBondContact O-N 2.98Å; L45-G49 PolarHBondContact O-N 3.49Å; L45-A50 HydrophobicContact CB-CB 4.02Å; L45-A50 WeakPolarHBondContact O-CB 3.35Å; L45-A50 PolarHBondContact O-N 2.92Å
46	I	90.2	Very high	90.1	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.077	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-44.1	178.8	-65.6	168.3	0	0	0	110.6	L30 V42 E43 R48 G49 I52 L78 Y81	L30-I46 HydrophobicContact CD1-CG1 4.19Å; L30-I46 HydrophobicContact CD2-CG1 4.43Å; V42-I46 HydrophobicContact CG1-CD1 3.72Å; V42-I46 VanDerWaalsContact O-CG1 3.29Å; V42-I46 WeakPolarHBondContact O-CG1 3.45Å; V42-I46 PolarHBondContact O-N 3.25Å; E43-I46 PolarHBondContact O-N 3.48Å; I46-R48 PolarHBondContact O-N 2.96Å; I46-G49 PolarHBondContact O-N 3.47Å; I46-I52 HydrophobicContact CG1-CG1 4.31Å; I46-I52 HydrophobicContact CG2-CD1 4.01Å; I46-I52 HydrophobicContact CG2-CG1 4.41Å; I46-L78 HydrophobicContact CD1-CD2 3.92Å; I46-Y81 HydrophobicContact CD1-CD2 3.75Å; I46-Y81 HydrophobicContact CD1-CE2 4.19Å; I46-Y81 HydrophobicContact CD1-CG 4.33Å; I46-Y81 HydrophobicContact CG2-CD1 3.58Å; I46-Y81 HydrophobicContact CG2-CD2 3.89Å; I46-Y81 HydrophobicContact CG2-CE1 3.79Å; I46-Y81 HydrophobicContact CG2-CE2 4.1Å; I46-Y81 HydrophobicContact CG2-CG 3.64Å
47	M	88.9	Confident	90.2	Very high	128 Å²	128	59.2 Å²	59.2	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-61.5	-28.7	176.7	-74	179.6	-179.6	0	0	113.1	E43 M44 G49	E43-M47 HydrophobicContact CG-CE 3.56Å; E43-M47 HydrophobicContact CG-SD 4.18Å; E43-M47 WeakPolarHBondContact O-CB 3.29Å; E43-M47 VanDerWaalsContact O-CG 3.28Å; E43-M47 WeakPolarHBondContact O-CG 3.36Å; E43-M47 PolarHBondContact O-N 3.38Å; E43-M47 WeakPolarHBondContact OE1-CE 3.4Å; M44-M47 PolarHBondContact O-N 3.24Å; M47-G49 VanDerWaalsContact C-N 3.29Å
48	R	86.6	Confident	90.3	Very high	117 Å²	117	58.4 Å²	58.4	44%	0.442	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.2	174.2	-69.2	-169	-178.4	-139.8	-3.2	114.2	L12 D13 L19 M44 L45 I46	L12-R48 PolarHBondContact O-NH1 2.97Å; D13-R48 IonicContact OD1-CZ 3.18Å; D13-R48 IonicContact OD1-NH1 2.82Å; D13-R48 PolarHBondContact OD1-NH1 3.3Å; D13-R48 IonicContact OD1-NH2 2.66Å; D13-R48 PolarHBondContact OD1-NH2 3.11Å; L19-R48 HydrophobicContact CD1-CB 3.58Å; L19-R48 WeakPolarHBondContact CD1-O 3.47Å; M44-R48 WeakPolarHBondContact O-CG 3.37Å; M44-R48 PolarHBondContact O-N 3.48Å; M44-R48 VanDerWaalsContact O-N 3.09Å; L45-R48 PolarHBondContact O-N 2.98Å; I46-R48 PolarHBondContact O-N 2.96Å
49	G	86.9	Confident	90.5	Very high	52 Å²	52	57.8 Å²	57.8	54%	0.536	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	21.8	175	0	0	0	0	0	114.9	L45 I46 M47 R51	L45-G49 PolarHBondContact O-N 3.49Å; I46-G49 PolarHBondContact O-N 3.47Å; M47-G49 VanDerWaalsContact C-N 3.29Å; G49-R51 PolarHBondContact O-N 3.41Å
50	A	89.4	Confident	90.6	Very high	6 Å²	6	58.1 Å²	58.1	5%	0.05	29%	0.294	C	S	.	.			trans	-58.4	136.5	168.7	0	0	0	0	0	110.8	L19 L30 L45 I52	L19-A50 HydrophobicContact CB-CB 4.22Å; L30-A50 HydrophobicContact CD2-CB 4.31Å; L45-A50 HydrophobicContact CB-CB 4.02Å; L45-A50 WeakPolarHBondContact O-CB 3.35Å; L45-A50 PolarHBondContact O-N 2.92Å; A50-I52 PolarHBondContact O-N 3.41Å
51	R	90.7	Very high	90.9	Very high	171 Å²	171	54.8 Å²	54.8	65%	0.645	27%	0.266	S	S	*	.			trans	-69.1	118.4	177.3	-69.6	174.3	-176.3	-177.4	2.9	109.2	N20 G49 V54	N20-R51 WeakPolarHBondContact OD1-CB 3.38Å; N20-R51 WeakPolarHBondContact OD1-CG 3.31Å; N20-R51 PolarHBondContact OD1-N 3.38Å; G49-R51 PolarHBondContact O-N 3.41Å; R51-V54 HydrophobicContact CB-CB 4.19Å; R51-V54 VanDerWaalsContact O-CG1 3.22Å; R51-V54 WeakPolarHBondContact O-CG1 3.48Å; R51-V54 PolarHBondContact O-N 3.43Å
52	I	93.1	Very high	91.2	Very high	30 Å²	30	54 Å²	54	15%	0.154	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-34.6	-173.6	-59.5	176.7	0	0	0	112	I46 A50 P62 L78 Y81 A83	I46-I52 HydrophobicContact CG1-CG1 4.31Å; I46-I52 HydrophobicContact CG2-CD1 4.01Å; I46-I52 HydrophobicContact CG2-CG1 4.41Å; A50-I52 PolarHBondContact O-N 3.41Å; I52-P62 WeakPolarHBondContact O-CD 3.5Å; I52-P62 WeakPolarHBondContact O-CG 3.39Å; I52-L78 HydrophobicContact CG2-CD2 4.1Å; I52-Y81 VanDerWaalsContact CD1-CB 3.42Å; I52-Y81 HydrophobicContact CD1-CG 4.39Å; I52-Y81 WeakPolarHBondContact CD1-O 3.32Å; I52-A83 HydrophobicContact CG2-CB 3.51Å
53	N	92.3	Very high	91.3	Very high	75 Å²	75	54.1 Å²	54.1	40%	0.401	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	28.7	-179.4	-58.8	-32.4	0	0	0	111.9	A83 D84	N53-A83 WeakPolarHBondContact OD1-CA 3.35Å; N53-D84 PolarHBondContact OD1-N 3.34Å
54	V	92.4	Very high	91.4	Very high	24 Å²	24	51 Å²	51	15%	0.145	25%	0.248	C	C	.	.			trans	-62.3	144	170.5	61	0	0	0	0	109.1	S28 H31 R51 T61 P62	S28-V54 WeakPolarHBondContact OG-CG1 3.4Å; H31-V54 VanDerWaalsContact CE1-CG1 3.49Å; H31-V54 WeakPolarHBondContact CE1-CG1 3.15Å; H31-V54 PolarHBondContact NE2-O 3.45Å; R51-V54 HydrophobicContact CB-CB 4.19Å; R51-V54 VanDerWaalsContact O-CG1 3.22Å; R51-V54 WeakPolarHBondContact O-CG1 3.48Å; R51-V54 PolarHBondContact O-N 3.43Å; V54-T61 WeakPolarHBondContact O-CA 3.13Å; V54-P62 HydrophobicContact CG1-CG 3.89Å; V54-P62 WeakPolarHBondContact O-CD 3.38Å
55	M	92.8	Very high	91.6	Very high	104 Å²	104	49.2 Å²	49.2	51%	0.512	24%	0.239	S	C	.	.			trans	-112	138.8	179.9	-69.3	-175.2	-50.6	0	0	109.3	D59 D60 T61	M55-D59 HydrophobicContact SD-CB 4.18Å; M55-D60 WeakPolarHBondContact CA-O 3.42Å; M55-T61 HydrophobicContact CG-CG2 4.03Å
56	N	91.9	Very high	91.7	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.064	24%	0.239	C	C	.	.			trans	-81.3	-172.3	167.6	74.4	4.9	0	0	0	110.7	G26 F27 H31 G58 D59 D60	G26-N56 WeakPolarHBondContact O-CA 3.41Å; F27-N56 HydrophobicContact CD2-CB 4.08Å; F27-N56 HydrophobicContact CE2-CB 4.18Å; F27-N56 VanDerWaalsContact CE2-ND2 3.29Å; F27-N56 WeakPolarHBondContact CE2-ND2 3.26Å; F27-N56 HydrophobicContact CG-CB 4.49Å; F27-N56 WeakPolarHBondContact CZ-ND2 3.43Å; H31-N56 PolarHBondContact NE2-N 2.87Å; N56-G58 PolarHBondContact O-N 3.36Å; N56-G58 WeakPolarHBondContact OD1-CA 3.18Å; N56-G58 PolarHBondContact OD1-N 2.86Å; N56-D59 PolarHBondContact O-N 3.44Å; N56-D59 VanDerWaalsContact O-N 3.1Å; N56-D59 PolarHBondContact OD1-N 3.47Å; N56-D60 PolarHBondContact N-O 2.89Å; N56-D60 WeakPolarHBondContact OD1-CB 3.17Å; N56-D60 PolarHBondContact OD1-N 2.95Å
57	R	92.2	Very high	91.7	Very high	180 Å²	180	48.7 Å²	48.7	68%	0.679	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.3	-179.8	-76.1	-175	179.7	176.8	5.6	115.3	D24 H25 D59	D24-R57 PolarHBondContact O-NE 3.48Å; D24-R57 PolarHBondContact O-NH1 2.93Å; D24-R57 PolarHBondContact O-NH2 3.25Å; H25-R57 WeakPolarHBondContact O-CB 3.18Å; H25-R57 WeakPolarHBondContact O-CG 3.35Å; H25-R57 PolarHBondContact O-N 2.99Å; R57-D59 VanDerWaalsContact C-N 3.35Å
58	G	90.4	Very high	91.7	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	15.5	175.7	0	0	0	0	0	113.1	N56 D60 N89 E90	N56-G58 PolarHBondContact O-N 3.36Å; N56-G58 WeakPolarHBondContact OD1-CA 3.18Å; N56-G58 PolarHBondContact OD1-N 2.86Å; G58-D60 PolarHBondContact O-N 3.11Å; G58-D60 VanDerWaalsContact O-N 3.1Å; G58-N89 WeakPolarHBondContact O-CB 3.47Å; G58-E90 VanDerWaalsContact CA-CD 3.47Å; G58-E90 WeakPolarHBondContact CA-OE1 3.18Å; G58-E90 WeakPolarHBondContact O-CB 3.37Å; G58-E90 WeakPolarHBondContact O-CG 3.48Å; G58-E90 PolarHBondContact O-N 3.46Å
59	D	93.8	Very high	91.8	Very high	65 Å²	65	41.7 Å²	41.7	35%	0.348	21%	0.21	S	C	.	.			trans	57.9	17.9	-172.9	-62.2	-33	0	0	0	114.5	M55 N56 R57 N89	M55-D59 HydrophobicContact SD-CB 4.18Å; N56-D59 PolarHBondContact O-N 3.44Å; N56-D59 VanDerWaalsContact O-N 3.1Å; N56-D59 PolarHBondContact OD1-N 3.47Å; R57-D59 VanDerWaalsContact C-N 3.35Å; D59-N89 HydrophobicContact CB-CB 4.46Å
60	D	93	Very high	91.8	Very high	30 Å²	30	41.1 Å²	41.1	16%	0.16	20%	0.204	C	C	.	.			trans	-73.5	134.7	170.9	-70	-49.4	0	0	0	109.7	H31 M55 N56 G58 H64 N89	H31-D60 PolarHBondContact NE2-O 3.05Å; M55-D60 WeakPolarHBondContact CA-O 3.42Å; N56-D60 PolarHBondContact N-O 2.89Å; N56-D60 WeakPolarHBondContact OD1-CB 3.17Å; N56-D60 PolarHBondContact OD1-N 2.95Å; G58-D60 PolarHBondContact O-N 3.11Å; G58-D60 VanDerWaalsContact O-N 3.1Å; D60-H64 HydrophobicContact CB-CB 4.03Å; D60-H64 IonicContact OD1-CD2 3.83Å; D60-H64 IonicContact OD1-CG 3.8Å; D60-N89 WeakPolarHBondContact OD1-CB 3.33Å; D60-N89 PolarHBondContact OD1-ND2 3.09Å
61	T	94.9	Very high	91.8	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.212	C	C	.	.			trans	-92.5	164.2	171	67.4	0	0	0	0	111	V54 M55 L63 H64 L65 A87	V54-T61 WeakPolarHBondContact O-CA 3.13Å; M55-T61 HydrophobicContact CG-CG2 4.03Å; T61-L63 PolarHBondContact O-N 3.25Å; T61-L63 PolarHBondContact OG1-N 3.41Å; T61-H64 PolarHBondContact N-ND1 3.39Å; T61-H64 VanDerWaalsContact N-ND1 3.11Å; T61-H64 WeakPolarHBondContact O-CB 3.46Å; T61-H64 PolarHBondContact O-N 3.01Å; T61-H64 PolarHBondContact OG1-N 3.12Å; T61-H64 PolarHBondContact OG1-ND1 2.95Å; T61-L65 PolarHBondContact O-N 3.3Å; T61-A87 HydrophobicContact CG2-CB 3.73Å
62	P	94.8	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-52	-31	170.6	-28.1	33.5	0	0	0	113.5	L30 C34 I52 V54 L65 A66 L78	L30-P62 HydrophobicContact CB-CG 4.24Å; L30-P62 HydrophobicContact CD2-CB 4.23Å; L30-P62 HydrophobicContact CD2-CG 3.86Å; L30-P62 HydrophobicContact CG-CB 3.9Å; L30-P62 HydrophobicContact CG-CG 3.79Å; C34-P62 HydrophobicContact CB-CB 4.22Å; C34-P62 WeakPolarHBondContact CB-O 3.36Å; I52-P62 WeakPolarHBondContact O-CD 3.5Å; I52-P62 WeakPolarHBondContact O-CG 3.39Å; V54-P62 HydrophobicContact CG1-CG 3.89Å; V54-P62 WeakPolarHBondContact O-CD 3.38Å; P62-L65 PolarHBondContact O-N 2.91Å; P62-A66 PolarHBondContact O-N 3.43Å; P62-L78 HydrophobicContact CB-CD1 4.44Å
63	L	94.1	Very high	91.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-38.6	176.2	-170.9	61.3	0	0	0	112.5	T61 L65 A66 A67 V75 L78 L79 A83 P95	T61-L63 PolarHBondContact O-N 3.25Å; T61-L63 PolarHBondContact OG1-N 3.41Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 PolarHBondContact O-N 3.14Å; L63-A66 PolarHBondContact O-N 3.15Å; L63-A67 VanDerWaalsContact O-CB 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 3.26Å; L63-V75 HydrophobicContact CD1-CB 4.37Å; L63-V75 HydrophobicContact CD1-CG1 4.04Å; L63-V75 HydrophobicContact CD1-CG2 4.35Å; L63-L78 HydrophobicContact CB-CD1 4.2Å; L63-L78 HydrophobicContact CD1-CB 3.94Å; L63-L78 HydrophobicContact CD1-CD1 3.91Å; L63-L79 HydrophobicContact CD1-CG 4.47Å; L63-L79 HydrophobicContact CD2-CD2 3.95Å; L63-A83 HydrophobicContact CB-CB 4.46Å; L63-A83 HydrophobicContact CD2-CB 3.98Å; L63-P95 HydrophobicContact CB-CB 4.28Å; L63-P95 HydrophobicContact CB-CG 4.12Å; L63-P95 HydrophobicContact CD2-CB 4.05Å; L63-P95 HydrophobicContact CD2-CG 3.9Å; L63-P95 HydrophobicContact CG-CB 3.69Å; L63-P95 HydrophobicContact CG-CG 3.87Å
64	H	93	Very high	91.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-44.8	171.8	-72.4	89.8	0	0	0	111.2	D60 T61 A67 S68 A87 N93 P95 Y98	D60-H64 HydrophobicContact CB-CB 4.03Å; D60-H64 IonicContact OD1-CD2 3.83Å; D60-H64 IonicContact OD1-CG 3.8Å; T61-H64 PolarHBondContact N-ND1 3.39Å; T61-H64 VanDerWaalsContact N-ND1 3.11Å; T61-H64 WeakPolarHBondContact O-CB 3.46Å; T61-H64 PolarHBondContact O-N 3.01Å; T61-H64 PolarHBondContact OG1-N 3.12Å; T61-H64 PolarHBondContact OG1-ND1 2.95Å; H64-A67 PolarHBondContact O-N 2.78Å; H64-S68 VanDerWaalsContact O-CB 3.25Å; H64-S68 WeakPolarHBondContact O-CB 3.46Å; H64-S68 PolarHBondContact O-N 3.22Å; H64-S68 PolarHBondContact O-OG 3.04Å; H64-A87 PolarHBondContact CE1-O 2.88Å; H64-A87 VanDerWaalsContact CE1-O 3.25Å; H64-A87 PolarHBondContact NE2-O 3.46Å; H64-N93 PolarHBondContact NE2-O 3.1Å; H64-P95 WeakPolarHBondContact NE2-CD 3.47Å; H64-Y98 AromaticContact CD2-CE2 3.94Å
65	L	92.6	Very high	91.5	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-43.4	-179.5	-61.5	-179.2	0	0	0	112.5	F27 H31 R35 T61 P62 L63 A67 S68 H69	F27-L65 HydrophobicContact CD1-CD1 3.96Å; F27-L65 HydrophobicContact CE1-CD1 3.58Å; F27-L65 HydrophobicContact CE1-CD2 4.22Å; H31-L65 HydrophobicContact CB-CD1 3.5Å; R35-L65 HydrophobicContact CB-CB 4.31Å; R35-L65 HydrophobicContact CB-CD1 4.4Å; T61-L65 PolarHBondContact O-N 3.3Å; P62-L65 PolarHBondContact O-N 2.91Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 PolarHBondContact O-N 3.14Å; L65-A67 VanDerWaalsContact C-N 3.35Å; L65-A67 PolarHBondContact O-N 3.47Å; L65-S68 WeakPolarHBondContact CA-OG 3.38Å; L65-S68 PolarHBondContact O-OG 3.23Å; L65-H69 PolarHBondContact O-N 2.66Å; L65-H69 PolarHBondContact O-ND1 2.89Å
66	A	92.2	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-43.8	176	0	0	0	0	0	111.7	C34 P62 L63 H69 G70 H71 I74 V75 L78	C34-A66 HydrophobicContact CB-CB 4.12Å; P62-A66 PolarHBondContact O-N 3.43Å; L63-A66 PolarHBondContact O-N 3.15Å; A66-H69 PolarHBondContact O-N 2.72Å; A66-G70 PolarHBondContact O-N 3.12Å; A66-H71 PolarHBondContact O-N 2.94Å; A66-I74 HydrophobicContact CB-CB 4.24Å; A66-I74 HydrophobicContact CB-CG2 3.7Å; A66-V75 HydrophobicContact CB-CG2 3.75Å; A66-L78 HydrophobicContact CB-CD1 4.02Å
67	A	90.3	Very high	91.4	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-41.9	179.9	0	0	0	0	0	112.6	L63 H64 L65 H69 G70 V75 P95 A99	L63-A67 VanDerWaalsContact O-CB 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 3.26Å; H64-A67 PolarHBondContact O-N 2.78Å; L65-A67 VanDerWaalsContact C-N 3.35Å; L65-A67 PolarHBondContact O-N 3.47Å; A67-H69 PolarHBondContact O-N 2.99Å; A67-G70 PolarHBondContact O-N 3.33Å; A67-V75 HydrophobicContact CB-CG2 4.19Å; A67-P95 HydrophobicContact CB-CB 4.32Å; A67-P95 WeakPolarHBondContact CB-O 3.47Å; A67-A99 HydrophobicContact CB-CB 4.36Å
68	S	89.3	Confident	91.4	Very high	18 Å²	18	36.5 Å²	36.5	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-69.3	-14.5	177.5	59.8	0	0	0	0	115	H64 L65 W102	H64-S68 VanDerWaalsContact O-CB 3.25Å; H64-S68 WeakPolarHBondContact O-CB 3.46Å; H64-S68 PolarHBondContact O-N 3.22Å; H64-S68 PolarHBondContact O-OG 3.04Å; L65-S68 WeakPolarHBondContact CA-OG 3.38Å; L65-S68 PolarHBondContact O-OG 3.23Å; S68-W102 PolarHBondContact O-NE1 2.96Å
69	H	87.9	Confident	91.4	Very high	79 Å²	79	39.3 Å²	39.3	37%	0.366	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	6	174.8	-65.6	65.5	0	0	0	112.2	R35 L65 A66 A67 H71	R35-H69 WeakPolarHBondContact CG-NE2 3.41Å; L65-H69 PolarHBondContact O-N 2.66Å; L65-H69 PolarHBondContact O-ND1 2.89Å; A66-H69 PolarHBondContact O-N 2.72Å; A67-H69 PolarHBondContact O-N 2.99Å; H69-H71 VanDerWaalsContact C-N 3.33Å; H69-H71 WeakPolarHBondContact CB-NE2 3.35Å; H69-H71 PolarHBondContact O-N 2.82Å
70	G	87.3	Confident	91.3	Very high	40 Å²	40	42.9 Å²	42.9	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	14.2	175	0	0	0	0	0	115.5	A66 A67 R72	A66-G70 PolarHBondContact O-N 3.12Å; A67-G70 PolarHBondContact O-N 3.33Å; G70-R72 VanDerWaalsContact C-N 3.29Å; G70-R72 PolarHBondContact O-N 3.48Å
71	H	89.8	Confident	91.2	Very high	48 Å²	48	45.3 Å²	45.3	22%	0.222	22%	0.221	C	C	.	.			trans	-78.3	73.9	-177.3	-58.9	-50	0	0	0	111.7	C34 R35 G37 A66 H69 D73 I74 V75	C34-H71 PolarHBondContact O-CD2 3.39Å; R35-H71 PolarHBondContact O-NE2 2.91Å; G37-H71 WeakPolarHBondContact CA-NE2 3.42Å; G37-H71 PolarHBondContact N-NE2 3.12Å; A66-H71 PolarHBondContact O-N 2.94Å; H69-H71 VanDerWaalsContact C-N 3.33Å; H69-H71 WeakPolarHBondContact CB-NE2 3.35Å; H69-H71 PolarHBondContact O-N 2.82Å; H71-D73 VanDerWaalsContact C-N 3.27Å; H71-D73 PolarHBondContact O-N 2.98Å; H71-I74 HydrophobicContact CB-CB 4.02Å; H71-I74 HydrophobicContact CB-CD1 3.99Å; H71-I74 HydrophobicContact CB-CG1 4.17Å; H71-I74 PolarHBondContact O-N 3.13Å; H71-I74 VanDerWaalsContact O-N 3.11Å; H71-V75 WeakPolarHBondContact O-CG2 3.48Å; H71-V75 PolarHBondContact O-N 3.16Å
72	R	87.4	Confident	91	Very high	170 Å²	170	53.8 Å²	53.8	64%	0.642	26%	0.258	S	S	*	.	H	α-helix	trans	-55.4	-38.3	-173.6	-69.1	-179.9	174.1	178.7	-0.5	113.7	G70 V75 Q76	G70-R72 VanDerWaalsContact C-N 3.29Å; G70-R72 PolarHBondContact O-N 3.48Å; R72-V75 PolarHBondContact O-N 3.02Å; R72-Q76 WeakPolarHBondContact O-CB 3.22Å; R72-Q76 PolarHBondContact O-N 2.79Å
73	D	90	Very high	90.9	Very high	80 Å²	80	54.2 Å²	54.2	43%	0.428	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-42.1	178.5	66.4	-38.9	0	0	0	111.8	S39 H71 Q76 K77	S39-D73 WeakPolarHBondContact CB-OD2 3.39Å; S39-D73 PolarHBondContact OG-OD2 2.99Å; H71-D73 VanDerWaalsContact C-N 3.27Å; H71-D73 PolarHBondContact O-N 2.98Å; D73-Q76 PolarHBondContact O-N 3.36Å; D73-K77 WeakPolarHBondContact O-CG 3.49Å; D73-K77 PolarHBondContact O-N 3.45Å
74	I	93.2	Very high	90.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-43.5	175.2	-63.8	-178.6	0	0	0	110.9	C34 G37 S39 V42 A66 H71 Q76 K77 L78	C34-I74 HydrophobicContact CB-CG2 4.25Å; G37-I74 VanDerWaalsContact C-CD1 3.43Å; G37-I74 VanDerWaalsContact CA-CD1 3.46Å; S39-I74 VanDerWaalsContact OG-CG1 3.31Å; S39-I74 WeakPolarHBondContact OG-CG1 3.22Å; V42-I74 HydrophobicContact CG1-CG2 4.25Å; V42-I74 HydrophobicContact CG2-CD1 4.15Å; V42-I74 HydrophobicContact CG2-CG2 4.04Å; A66-I74 HydrophobicContact CB-CB 4.24Å; A66-I74 HydrophobicContact CB-CG2 3.7Å; H71-I74 HydrophobicContact CB-CB 4.02Å; H71-I74 HydrophobicContact CB-CD1 3.99Å; H71-I74 HydrophobicContact CB-CG1 4.17Å; H71-I74 PolarHBondContact O-N 3.13Å; H71-I74 VanDerWaalsContact O-N 3.11Å; I74-Q76 VanDerWaalsContact C-N 3.29Å; I74-Q76 PolarHBondContact O-N 3.47Å; I74-K77 PolarHBondContact O-N 3.47Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.24Å; I74-L78 WeakPolarHBondContact O-CG 3.39Å; I74-L78 PolarHBondContact O-N 2.96Å
75	V	91.2	Very high	90.5	Very high	33 Å²	33	60.9 Å²	60.9	20%	0.2	30%	0.296	C	S	.	.	H	α-helix	trans	-55	-48.8	174.5	168.9	0	0	0	0	110	L63 A66 A67 H71 R72 K77 L78 L79	L63-V75 HydrophobicContact CD1-CB 4.37Å; L63-V75 HydrophobicContact CD1-CG1 4.04Å; L63-V75 HydrophobicContact CD1-CG2 4.35Å; A66-V75 HydrophobicContact CB-CG2 3.75Å; A67-V75 HydrophobicContact CB-CG2 4.19Å; H71-V75 WeakPolarHBondContact O-CG2 3.48Å; H71-V75 PolarHBondContact O-N 3.16Å; R72-V75 PolarHBondContact O-N 3.02Å; V75-K77 PolarHBondContact O-N 3.27Å; V75-L78 PolarHBondContact O-N 3.45Å; V75-L79 HydrophobicContact CG1-CD1 3.99Å; V75-L79 VanDerWaalsContact O-CG 3.29Å; V75-L79 WeakPolarHBondContact O-CG 3.46Å; V75-L79 PolarHBondContact O-N 3.47Å
76	Q	89.8	Confident	90.3	Very high	128 Å²	128	65.8 Å²	65.8	60%	0.598	32%	0.322	S	S	*	.	H	α-helix	trans	-63.9	-40.4	179.7	-171.5	149.3	43.9	0	0	112.4	R72 D73 I74 L79 Q80	R72-Q76 WeakPolarHBondContact O-CB 3.22Å; R72-Q76 PolarHBondContact O-N 2.79Å; D73-Q76 PolarHBondContact O-N 3.36Å; I74-Q76 VanDerWaalsContact C-N 3.29Å; I74-Q76 PolarHBondContact O-N 3.47Å; Q76-L79 PolarHBondContact O-N 2.87Å; Q76-Q80 VanDerWaalsContact O-CG 3.3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.19Å; Q76-Q80 PolarHBondContact O-N 2.97Å
77	K	91.8	Very high	90.2	Very high	47 Å²	47	66.3 Å²	66.3	20%	0.204	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-50.3	173.8	-76.2	-172.9	-178.8	-166.4	0	111.9	S39 E43 D73 I74 V75 L79 Q80 Y81	S39-K77 PolarHBondContact O-NZ 3.04Å; E43-K77 IonicContact OE2-NZ 2.71Å; E43-K77 PolarHBondContact OE2-NZ 2.76Å; D73-K77 WeakPolarHBondContact O-CG 3.49Å; D73-K77 PolarHBondContact O-N 3.45Å; I74-K77 PolarHBondContact O-N 3.47Å; V75-K77 PolarHBondContact O-N 3.27Å; K77-L79 VanDerWaalsContact C-N 3.26Å; K77-L79 PolarHBondContact O-N 3.01Å; K77-Q80 WeakPolarHBondContact O-CB 3.19Å; K77-Q80 PolarHBondContact O-N 3.31Å; K77-Q80 VanDerWaalsContact O-N 3.08Å; K77-Y81 WeakPolarHBondContact O-CD2 3.4Å; K77-Y81 PolarHBondContact O-N 3.01Å
78	L	92.1	Very high	90.2	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-57	-41.9	179.1	-72.2	171.8	0	0	0	111.5	V42 I46 I52 P62 L63 A66 I74 V75 Y81 K82 A83	V42-L78 HydrophobicContact CG1-CD2 4.3Å; I46-L78 HydrophobicContact CD1-CD2 3.92Å; I52-L78 HydrophobicContact CG2-CD2 4.1Å; P62-L78 HydrophobicContact CB-CD1 4.44Å; L63-L78 HydrophobicContact CB-CD1 4.2Å; L63-L78 HydrophobicContact CD1-CB 3.94Å; L63-L78 HydrophobicContact CD1-CD1 3.91Å; A66-L78 HydrophobicContact CB-CD1 4.02Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.24Å; I74-L78 WeakPolarHBondContact O-CG 3.39Å; I74-L78 PolarHBondContact O-N 2.96Å; V75-L78 PolarHBondContact O-N 3.45Å; L78-Y81 CarbonylContact O-C 3.4Å; L78-Y81 PolarHBondContact O-N 3.11Å; L78-K82 PolarHBondContact O-N 2.92Å; L78-A83 HydrophobicContact CB-CB 3.88Å; L78-A83 WeakPolarHBondContact O-CB 3.37Å; L78-A83 PolarHBondContact O-N 2.87Å
79	L	90.5	Very high	90.3	Very high	68 Å²	68	69.4 Å²	69.4	36%	0.356	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-38.5	175.6	-68	173.7	0	0	0	112.9	L63 V75 Q76 K77 Y81 K82 I85	L63-L79 HydrophobicContact CD1-CG 4.47Å; L63-L79 HydrophobicContact CD2-CD2 3.95Å; V75-L79 HydrophobicContact CG1-CD1 3.99Å; V75-L79 VanDerWaalsContact O-CG 3.29Å; V75-L79 WeakPolarHBondContact O-CG 3.46Å; V75-L79 PolarHBondContact O-N 3.47Å; Q76-L79 PolarHBondContact O-N 2.87Å; K77-L79 VanDerWaalsContact C-N 3.26Å; K77-L79 PolarHBondContact O-N 3.01Å; L79-Y81 PolarHBondContact O-N 3.35Å; L79-K82 PolarHBondContact O-N 3.47Å; L79-I85 HydrophobicContact CD2-CB 3.94Å; L79-I85 HydrophobicContact CD2-CD1 4.05Å; L79-I85 HydrophobicContact CD2-CG1 4.18Å
80	Q	92.6	Very high	90.4	Very high	139 Å²	139	71.3 Å²	71.3	65%	0.65	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-35.3	173	-73	170.4	3.8	0	0	111.9	Q76 K77 K82	Q76-Q80 VanDerWaalsContact O-CG 3.3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.19Å; Q76-Q80 PolarHBondContact O-N 2.97Å; K77-Q80 WeakPolarHBondContact O-CB 3.19Å; K77-Q80 PolarHBondContact O-N 3.31Å; K77-Q80 VanDerWaalsContact O-N 3.08Å; Q80-K82 PolarHBondContact O-N 3.35Å
81	Y	90.9	Very high	90.3	Very high	82 Å²	82	75.5 Å²	75.5	32%	0.322	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	17.2	173.5	-66.7	-76.2	0	0	0	114.1	I46 I52 K77 L78 L79 A83	I46-Y81 HydrophobicContact CD1-CD2 3.75Å; I46-Y81 HydrophobicContact CD1-CE2 4.19Å; I46-Y81 HydrophobicContact CD1-CG 4.33Å; I46-Y81 HydrophobicContact CG2-CD1 3.58Å; I46-Y81 HydrophobicContact CG2-CD2 3.89Å; I46-Y81 HydrophobicContact CG2-CE1 3.79Å; I46-Y81 HydrophobicContact CG2-CE2 4.1Å; I46-Y81 HydrophobicContact CG2-CG 3.64Å; I52-Y81 VanDerWaalsContact CD1-CB 3.42Å; I52-Y81 HydrophobicContact CD1-CG 4.39Å; I52-Y81 WeakPolarHBondContact CD1-O 3.32Å; K77-Y81 WeakPolarHBondContact O-CD2 3.4Å; K77-Y81 PolarHBondContact O-N 3.01Å; L78-Y81 CarbonylContact O-C 3.4Å; L78-Y81 PolarHBondContact O-N 3.11Å; L79-Y81 PolarHBondContact O-N 3.35Å; Y81-A83 PolarHBondContact O-N 3.05Å
82	K	90.8	Very high	90.1	Very high	180 Å²	180	75.4 Å²	75.4	78%	0.783	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	36.3	175.4	-51.7	179.7	177.2	179.6	0	114.3	L78 L79 Q80	L78-K82 PolarHBondContact O-N 2.92Å; L79-K82 PolarHBondContact O-N 3.47Å; Q80-K82 PolarHBondContact O-N 3.35Å
83	A	91.9	Very high	90.1	Very high	9 Å²	9	69.8 Å²	69.8	7%	0.074	36%	0.357	C	S	.	.			trans	-55.4	143	164.1	0	0	0	0	0	110.7	I52 N53 L63 L78 Y81 I85	I52-A83 HydrophobicContact CG2-CB 3.51Å; N53-A83 WeakPolarHBondContact OD1-CA 3.35Å; L63-A83 HydrophobicContact CB-CB 4.46Å; L63-A83 HydrophobicContact CD2-CB 3.98Å; L78-A83 HydrophobicContact CB-CB 3.88Å; L78-A83 WeakPolarHBondContact O-CB 3.37Å; L78-A83 PolarHBondContact O-N 2.87Å; Y81-A83 PolarHBondContact O-N 3.05Å; A83-I85 PolarHBondContact O-N 3.48Å; A83-I85 VanDerWaalsContact O-N 3.17Å
84	D	91.1	Very high	90.2	Very high	72 Å²	72	67.4 Å²	67.4	39%	0.385	35%	0.345	S	S	.	.			trans	-74.7	106.9	178.2	-172.8	-0.2	0	0	0	110.3	N53 N86 A87	N53-D84 PolarHBondContact OD1-N 3.34Å; D84-N86 PolarHBondContact O-N 3.37Å; D84-N86 PolarHBondContact OD1-N 2.9Å; D84-A87 HydrophobicContact CB-CB 4.23Å; D84-A87 PolarHBondContact O-N 2.9Å; D84-A87 PolarHBondContact OD1-N 3.41Å
85	I	88.6	Confident	89.7	Confident	70 Å²	70	67.6 Å²	67.6	36%	0.359	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.4	177.8	-165.6	167.6	0	0	0	112.9	L79 A83 P95	L79-I85 HydrophobicContact CD2-CB 3.94Å; L79-I85 HydrophobicContact CD2-CD1 4.05Å; L79-I85 HydrophobicContact CD2-CG1 4.18Å; A83-I85 PolarHBondContact O-N 3.48Å; A83-I85 VanDerWaalsContact O-N 3.17Å; I85-P95 WeakPolarHBondContact O-CD 3.47Å
86	N	87.9	Confident	89	Confident	113 Å²	113	70.7 Å²	70.7	60%	0.604	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	11	-178.4	-60.2	-46	0	0	0	112.3	D84 V88	D84-N86 PolarHBondContact O-N 3.37Å; D84-N86 PolarHBondContact OD1-N 2.9Å; N86-V88 WeakPolarHBondContact O-CG2 3.46Å; N86-V88 PolarHBondContact O-N 3.05Å
87	A	89.9	Confident	88.3	Confident	12 Å²	12	69.7 Å²	69.7	10%	0.099	36%	0.356	C	S	.	.			trans	-54.3	134.4	173.1	0	0	0	0	0	109.4	T61 H64 D84 V94 P95	T61-A87 HydrophobicContact CG2-CB 3.73Å; H64-A87 PolarHBondContact CE1-O 2.88Å; H64-A87 VanDerWaalsContact CE1-O 3.25Å; H64-A87 PolarHBondContact NE2-O 3.46Å; D84-A87 HydrophobicContact CB-CB 4.23Å; D84-A87 PolarHBondContact O-N 2.9Å; D84-A87 PolarHBondContact OD1-N 3.41Å; A87-V94 WeakPolarHBondContact O-CA 3.49Å; A87-P95 VanDerWaalsContact O-CD 3.29Å; A87-P95 WeakPolarHBondContact O-CD 3.43Å
88	V	90.7	Very high	87.1	Confident	83 Å²	83	70.1 Å²	70.1	50%	0.503	36%	0.357	S	S	.	.			trans	-111.2	124.5	-178.3	-176.4	0	0	0	0	108.1	N86 N93 V94	N86-V88 WeakPolarHBondContact O-CG2 3.46Å; N86-V88 PolarHBondContact O-N 3.05Å; V88-N93 WeakPolarHBondContact CA-O 3.41Å; V88-V94 HydrophobicContact CG2-CG1 4.17Å
89	N	90.1	Very high	85.9	Confident	5 Å²	5	72 Å²	72	3%	0.027	37%	0.372	C	S	.	.			trans	-83.1	178.6	175.1	75.9	2.3	0	0	0	112.1	G58 D59 D60 H91 G92 N93 Y98	G58-N89 WeakPolarHBondContact O-CB 3.47Å; D59-N89 HydrophobicContact CB-CB 4.46Å; D60-N89 WeakPolarHBondContact OD1-CB 3.33Å; D60-N89 PolarHBondContact OD1-ND2 3.09Å; N89-H91 PolarHBondContact O-N 3.22Å; N89-H91 WeakPolarHBondContact OD1-CB 3.29Å; N89-H91 PolarHBondContact OD1-N 3.04Å; N89-H91 VanDerWaalsContact OD1-N 3.12Å; N89-G92 PolarHBondContact O-N 3.43Å; N89-G92 PolarHBondContact OD1-N 2.81Å; N89-N93 PolarHBondContact N-O 3.34Å; N89-N93 WeakPolarHBondContact OD1-CB 3.4Å; N89-N93 PolarHBondContact OD1-N 3.24Å; N89-N93 PolarHBondContact OD1-O 3.1Å; N89-Y98 PolarHBondContact ND2-OH 3Å; N89-Y98 VanDerWaalsContact ND2-OH 3.16Å
90	E	89.9	Confident	84.5	Confident	119 Å²	119	72.6 Å²	72.6	56%	0.556	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.6	-175.9	73.2	180	155.3	0	0	113.3	G58	G58-E90 VanDerWaalsContact CA-CD 3.47Å; G58-E90 WeakPolarHBondContact CA-OE1 3.18Å; G58-E90 WeakPolarHBondContact O-CB 3.37Å; G58-E90 WeakPolarHBondContact O-CG 3.48Å; G58-E90 PolarHBondContact O-N 3.46Å
91	H	86.1	Confident	82.9	Confident	127 Å²	127	74 Å²	74	59%	0.588	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	1	178.6	-59.4	-55.6	0	0	0	113.6	N89 N93	N89-H91 PolarHBondContact O-N 3.22Å; N89-H91 WeakPolarHBondContact OD1-CB 3.29Å; N89-H91 PolarHBondContact OD1-N 3.04Å; N89-H91 VanDerWaalsContact OD1-N 3.12Å; H91-N93 VanDerWaalsContact C-N 3.26Å; H91-N93 PolarHBondContact O-N 2.99Å
92	G	86.6	Confident	81.3	Confident	46 Å²	46	76.6 Å²	76.6	47%	0.474	40%	0.395	S	S	.	.	S	Bend	trans	77.4	10.8	-175.5	0	0	0	0	0	113.8	N89	N89-G92 PolarHBondContact O-N 3.43Å; N89-G92 PolarHBondContact OD1-N 2.81Å
93	N	87.4	Confident	79.4	Confident	53 Å²	53	68.9 Å²	68.9	28%	0.283	37%	0.367	S	S	.	.			trans	-86.1	152.8	178.9	-63.2	-44.9	0	0	0	110.6	H64 V88 N89 H91 Y98	H64-N93 PolarHBondContact NE2-O 3.1Å; V88-N93 WeakPolarHBondContact CA-O 3.41Å; N89-N93 PolarHBondContact N-O 3.34Å; N89-N93 WeakPolarHBondContact OD1-CB 3.4Å; N89-N93 PolarHBondContact OD1-N 3.24Å; N89-N93 PolarHBondContact OD1-O 3.1Å; H91-N93 VanDerWaalsContact C-N 3.26Å; H91-N93 PolarHBondContact O-N 2.99Å; N93-Y98 HydrophobicContact CB-CD2 4.48Å; N93-Y98 HydrophobicContact CB-CE2 3.61Å; N93-Y98 PolarHBondContact ND2-OH 3.19Å; N93-Y98 VanDerWaalsContact ND2-OH 3.13Å
94	V	90.3	Very high	77.3	Confident	30 Å²	30	75.5 Å²	75.5	18%	0.182	40%	0.396	C	S	.	.			trans	-111.5	158.6	170.6	-51.9	0	0	0	0	107.6	A87 V88 L96 H97	A87-V94 WeakPolarHBondContact O-CA 3.49Å; V88-V94 HydrophobicContact CG2-CG1 4.17Å; V94-L96 HydrophobicContact CG2-CB 4.21Å; V94-L96 PolarHBondContact O-N 2.92Å; V94-H97 WeakPolarHBondContact CG2-ND1 3.38Å; V94-H97 PolarHBondContact N-ND1 3.25Å; V94-H97 WeakPolarHBondContact O-CB 3.35Å; V94-H97 PolarHBondContact O-N 3.23Å
95	P	82.9	Confident	75.2	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-53.1	-37.6	-177.3	-26.4	32	0	0	0	113.4	L63 H64 A67 I85 A87 H97 Y98 A99	L63-P95 HydrophobicContact CB-CB 4.28Å; L63-P95 HydrophobicContact CB-CG 4.12Å; L63-P95 HydrophobicContact CD2-CB 4.05Å; L63-P95 HydrophobicContact CD2-CG 3.9Å; L63-P95 HydrophobicContact CG-CB 3.69Å; L63-P95 HydrophobicContact CG-CG 3.87Å; H64-P95 WeakPolarHBondContact NE2-CD 3.47Å; A67-P95 HydrophobicContact CB-CB 4.32Å; A67-P95 WeakPolarHBondContact CB-O 3.47Å; I85-P95 WeakPolarHBondContact O-CD 3.47Å; A87-P95 VanDerWaalsContact O-CD 3.29Å; A87-P95 WeakPolarHBondContact O-CD 3.43Å; P95-H97 VanDerWaalsContact C-N 3.33Å; P95-H97 PolarHBondContact O-N 2.96Å; P95-Y98 PolarHBondContact O-N 2.88Å; P95-A99 PolarHBondContact O-N 3.1Å
96	L	76.1	Confident	73.2	Confident	98 Å²	98	79.6 Å²	79.6	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-68.3	-27.3	-179.8	-166	66.8	0	0	0	113.6	V94 Y98 A99 C100	V94-L96 HydrophobicContact CG2-CB 4.21Å; V94-L96 PolarHBondContact O-N 2.92Å; L96-Y98 PolarHBondContact O-N 3.23Å; L96-A99 HydrophobicContact CD1-CB 4.08Å; L96-A99 PolarHBondContact O-N 3.05Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-C100 PolarHBondContact O-N 3.06Å
97	H	75.4	Confident	71.1	Confident	106 Å²	106	79.7 Å²	79.7	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-56.8	-37.2	173.5	-74.7	132.2	0	0	0	111	V94 P95	V94-H97 WeakPolarHBondContact CG2-ND1 3.38Å; V94-H97 PolarHBondContact N-ND1 3.25Å; V94-H97 WeakPolarHBondContact O-CB 3.35Å; V94-H97 PolarHBondContact O-N 3.23Å; P95-H97 VanDerWaalsContact C-N 3.33Å; P95-H97 PolarHBondContact O-N 2.96Å
98	Y	68.3	Low	68.7	Low	56 Å²	56	82.6 Å²	82.6	22%	0.22	44%	0.444	C	S	.	.	H	α-helix	trans	-74.5	-36.1	177.7	-67.7	-80.4	0	0	0	113.1	H64 N89 N93 P95 L96 C100 F101 W102	H64-Y98 AromaticContact CD2-CE2 3.94Å; N89-Y98 PolarHBondContact ND2-OH 3Å; N89-Y98 VanDerWaalsContact ND2-OH 3.16Å; N93-Y98 HydrophobicContact CB-CD2 4.48Å; N93-Y98 HydrophobicContact CB-CE2 3.61Å; N93-Y98 PolarHBondContact ND2-OH 3.19Å; N93-Y98 VanDerWaalsContact ND2-OH 3.13Å; P95-Y98 PolarHBondContact O-N 2.88Å; L96-Y98 PolarHBondContact O-N 3.23Å; Y98-C100 VanDerWaalsContact C-N 3.27Å; Y98-C100 PolarHBondContact O-N 3.49Å; Y98-F101 PolarHBondContact O-N 3.29Å; Y98-F101 VanDerWaalsContact O-N 3.14Å; Y98-W102 PolarHBondContact O-N 3.29Å
99	A	65.9	Low	66.2	Low	39 Å²	39	86 Å²	86	32%	0.322	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-33.3	177.4	0	0	0	0	0	112.5	A67 P95 L96 F101 G103	A67-A99 HydrophobicContact CB-CB 4.36Å; P95-A99 PolarHBondContact O-N 3.1Å; L96-A99 HydrophobicContact CD1-CB 4.08Å; L96-A99 PolarHBondContact O-N 3.05Å; L96-A99 VanDerWaalsContact O-N 3.13Å; A99-F101 VanDerWaalsContact C-N 3.34Å; A99-G103 PolarHBondContact O-N 2.86Å
100	C	62.1	Low	63.5	Low	82 Å²	82	93.2 Å²	93.2	55%	0.554	49%	0.492	S	S	*	.	H	α-helix	trans	-69.3	-31.3	175.1	-68.7	0	0	0	0	112.9	L96 Y98 Q104	L96-C100 PolarHBondContact O-N 3.06Å; Y98-C100 VanDerWaalsContact C-N 3.27Å; Y98-C100 PolarHBondContact O-N 3.49Å; C100-Q104 WeakPolarHBondContact O-CG 3.45Å
101	F	58.4	Low	60.9	Low	167 Å²	167	100.4 Å²	100.4	73%	0.732	52%	0.522	S	S	*	.	H	α-helix	trans	-69.2	-38.2	-178.4	-140.2	-88	0	0	0	112	Y98 A99	Y98-F101 PolarHBondContact O-N 3.29Å; Y98-F101 VanDerWaalsContact O-N 3.14Å; A99-F101 VanDerWaalsContact C-N 3.34Å
102	W	56	Low	59.6	Low	137 Å²	137	99.1 Å²	99.1	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-93.1	-20.7	179.7	-60.3	104.5	0	0	0	113.9	S68 Y98 Q104 D105	S68-W102 PolarHBondContact O-NE1 2.96Å; Y98-W102 PolarHBondContact O-N 3.29Å; W102-Q104 PolarHBondContact O-N 2.92Å; W102-D105 PolarHBondContact O-N 2.88Å
103	G	51.1	Low	58.2	Low	19 Å²	19	101.8 Å²	101.8	20%	0.196	52%	0.521	C	S	.	.	H	α-helix	trans	-68.7	-18.9	176.1	0	0	0	0	0	114.1	A99 D105 V107	A99-G103 PolarHBondContact O-N 2.86Å; G103-D105 VanDerWaalsContact C-N 3.35Å; G103-V107 VanDerWaalsContact O-CG2 3.28Å; G103-V107 WeakPolarHBondContact O-CG2 3.36Å
104	Q	48.3	Very low	56.5	Low	147 Å²	147	104.6 Å²	104.6	69%	0.687	53%	0.534	S	S	*	.	H	α-helix	trans	-71.2	-29	177.3	-68.7	-87.5	-23.1	0	0	112.5	C100 W102	C100-Q104 WeakPolarHBondContact O-CG 3.45Å; W102-Q104 PolarHBondContact O-N 2.92Å
105	D	47.1	Very low	54.6	Low	106 Å²	106	108.9 Å²	108.9	57%	0.567	56%	0.555	S	S	*	*	H	α-helix	trans	-76.1	-33	-178.7	-66.5	-23.3	0	0	0	112	W102 G103	W102-D105 PolarHBondContact O-N 2.88Å; G103-D105 VanDerWaalsContact C-N 3.35Å
106	Q	46.3	Very low	52.8	Low	122 Å²	122	115.5 Å²	115.5	57%	0.57	59%	0.588	S	S	*	*	H	α-helix	trans	-82	-20.1	-178.5	-150.7	70	77.8	0	0	113.9	A108	Q106-A108 VanDerWaalsContact C-N 3.35Å
107	V	43.5	Very low	51.2	Low	116 Å²	116	116.7 Å²	116.7	70%	0.703	59%	0.593	S	S	*	*	H	α-helix	trans	-86.9	-11.3	177.8	-174	0	0	0	0	111.2	G103	G103-V107 VanDerWaalsContact O-CG2 3.28Å; G103-V107 WeakPolarHBondContact O-CG2 3.36Å
108	A	39.8	Very low	49.5	Very low	73 Å²	73	117.4 Å²	117.4	60%	0.603	60%	0.6	S	S	*	*	S	Bend	trans	-85.3	-13.1	-179.3	0	0	0	0	0	114.7	Q106	Q106-A108 VanDerWaalsContact C-N 3.35Å
109	E	39.1	Very low	48.1	Very low	154 Å²	154	122.2 Å²	122.2	72%	0.72	63%	0.629	S	S	*	*	S	Bend	trans	-97.3	-2.1	-177	-75.1	-172.7	162	0	0	115.4	K111	E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 2.85Å
110	D	33.4	Very low	46.6	Very low	156 Å²	156	129.1 Å²	129.1	83%	0.834	66%	0.655	S	S	*	*			trans	-88.8	52.3	174.2	-86.3	-8.3	0	0	0	112.6
111	K	33.9	Very low	45.2	Very low	270 Å²	270	133.4 Å²	133.4	100%	1.174	66%	0.664	S	S	*	*			trans	-126.8	0	169.1	-72.7	-158.5	179.9	-175.6	0	113.8	E109	E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 2.85Å

Retrieved 111 of 111 residues in 79.9 ms (Link to these results)

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