A0A087XDP3_POEFO Loading...

Sine oculis homeobox homolog 1a

AlphaFold DB , UniProt , Accession A0A087XDP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	56.3	Low	237 Å²	237	111.7 Å²	111.7	100%	1.167	65%	0.647	S	S	*	*				0	127.7	0	-59.7	179.3	-168.2	0	0	107.7	I3	M1-I3 PolarHBondContact O-N 3.15Å
2	S	37.3	Very low	58.8	Low	117 Å²	117	112.9 Å²	112.9	82%	0.818	64%	0.642	S	S	*	*			trans	-81.1	104.6	174.4	48	0	0	0	0	109.4	L4	S2-L4 PolarHBondContact O-N 3.35Å; S2-L4 VanDerWaalsContact O-N 3.15Å
3	I	39.6	Very low	61.1	Low	160 Å²	160	111 Å²	111	82%	0.821	63%	0.625	S	S	*	*			trans	-69.3	108.1	175.6	-58.9	169.8	0	0	0	107.5	M1	M1-I3 PolarHBondContact O-N 3.15Å
4	L	43	Very low	63.2	Low	117 Å²	117	103.1 Å²	103.1	61%	0.613	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-72.1	127.1	167.4	-75.6	167.3	0	0	0	107.8	S2	S2-L4 PolarHBondContact O-N 3.35Å; S2-L4 VanDerWaalsContact O-N 3.15Å
5	P	49.5	Very low	65	Low	108 Å²	108	97.1 Å²	97.1	70%	0.701	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-65.2	148.6	179.6	27.6	-34.2	0	0	0	110.7	F7	P5-F7 PolarHBondContact O-N 3.28Å
6	S	50.3	Low	66.7	Low	125 Å²	125	95.8 Å²	95.8	87%	0.874	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-53.6	127.7	176.6	-169.8	0	0	0	0	110.4	G8	S6-G8 PolarHBondContact O-N 3.36Å; S6-G8 VanDerWaalsContact O-N 3.08Å
7	F	60.3	Low	68.2	Low	69 Å²	69	92.9 Å²	92.9	30%	0.303	53%	0.531	S	S	.	.			trans	-77.1	101.4	-165	-163	-90.1	0	0	0	111.5	P5 F9 V14 L37 P38 L43	P5-F7 PolarHBondContact O-N 3.28Å; F7-F9 HydrophobicContact CE1-CB 3.91Å; F7-F9 HydrophobicContact CE1-CD2 4.34Å; F7-F9 HydrophobicContact CE2-CD2 4.27Å; F7-F9 HydrophobicContact CZ-CB 4.24Å; F7-F9 HydrophobicContact CZ-CD2 4.03Å; F7-V14 HydrophobicContact CE1-CG2 4.11Å; F7-V14 HydrophobicContact CZ-CG2 4.02Å; F7-L37 HydrophobicContact CE2-CD2 3.98Å; F7-L37 HydrophobicContact CZ-CD2 3.54Å; F7-P38 HydrophobicContact CB-CG 4.4Å; F7-P38 HydrophobicContact CD1-CG 3.63Å; F7-P38 HydrophobicContact CD2-CG 4.36Å; F7-P38 HydrophobicContact CE1-CG 3.94Å; F7-P38 HydrophobicContact CG-CG 3.87Å; F7-P38 HydrophobicContact CZ-CG 4.44Å; F7-L43 HydrophobicContact CE1-CD2 4.48Å
8	G	65.3	Low	69.5	Low	67 Å²	67	87.8 Å²	87.8	69%	0.691	50%	0.502	S	S	*	.			trans	-103.1	23	-171	0	0	0	0	0	116.4	S6	S6-G8 PolarHBondContact O-N 3.36Å; S6-G8 VanDerWaalsContact O-N 3.08Å
9	F	71.9	Confident	70.7	Confident	116 Å²	116	85.5 Å²	85.5	51%	0.509	49%	0.486	S	S	.	.			trans	-104	137.1	-178.7	-64.7	-71.3	0	0	0	113	F7 Q13 V14	F7-F9 HydrophobicContact CE1-CB 3.91Å; F7-F9 HydrophobicContact CE1-CD2 4.34Å; F7-F9 HydrophobicContact CE2-CD2 4.27Å; F7-F9 HydrophobicContact CZ-CB 4.24Å; F7-F9 HydrophobicContact CZ-CD2 4.03Å; F9-Q13 VanDerWaalsContact CA-OE1 3.31Å; F9-Q13 HydrophobicContact CB-CB 4.35Å; F9-Q13 HydrophobicContact CD1-CB 4.21Å; F9-V14 HydrophobicContact CB-CG2 3.75Å
10	T	85	Confident	71.8	Confident	66 Å²	66	85.7 Å²	85.7	41%	0.405	49%	0.489	S	S	.	.			trans	-74.1	165.9	169.1	84.3	0	0	0	0	111.4	E12 Q13 V14	T10-E12 VanDerWaalsContact C-N 3.29Å; T10-E12 WeakPolarHBondContact CB-OE2 3.45Å; T10-E12 PolarHBondContact O-N 3.29Å; T10-E12 PolarHBondContact OG1-N 3.5Å; T10-E12 PolarHBondContact OG1-OE2 3.38Å; T10-Q13 PolarHBondContact O-N 3.04Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.49Å; T10-Q13 PolarHBondContact OG1-N 3.16Å; T10-V14 WeakPolarHBondContact O-CG2 3.32Å; T10-V14 PolarHBondContact O-N 2.72Å
11	Q	84.3	Confident	72.8	Confident	47 Å²	47	82.8 Å²	82.8	22%	0.22	47%	0.472	C	S	.	.	H	α-helix	trans	-60.6	-38.7	178.1	174.6	162.1	-62.8	0	0	112.5	V14 A15 H42 L43 N46	Q11-V14 PolarHBondContact O-N 3.19Å; Q11-A15 WeakPolarHBondContact O-CB 3.42Å; Q11-A15 PolarHBondContact O-N 3.21Å; Q11-H42 PolarHBondContact OE1-CD2 3.16Å; Q11-L43 HydrophobicContact CB-CD1 4.34Å; Q11-L43 HydrophobicContact CG-CD1 4.37Å; Q11-N46 HydrophobicContact CG-CB 4.29Å; Q11-N46 WeakPolarHBondContact CG-ND2 3.31Å; Q11-N46 PolarHBondContact NE2-ND2 3.31Å
12	E	86.1	Confident	75.6	Confident	126 Å²	126	72.9 Å²	72.9	59%	0.589	42%	0.423	S	S	*	.	H	α-helix	trans	-67.7	-39.3	179.2	-54.8	65.5	-136.1	0	0	110.4	T10 A15 C16	T10-E12 VanDerWaalsContact C-N 3.29Å; T10-E12 WeakPolarHBondContact CB-OE2 3.45Å; T10-E12 PolarHBondContact O-N 3.29Å; T10-E12 PolarHBondContact OG1-N 3.5Å; T10-E12 PolarHBondContact OG1-OE2 3.38Å; E12-A15 PolarHBondContact O-N 3.08Å; E12-C16 VanDerWaalsContact O-CB 3.27Å; E12-C16 WeakPolarHBondContact O-CB 3.41Å; E12-C16 PolarHBondContact O-N 3.39Å
13	Q	89.4	Confident	78.2	Confident	88 Å²	88	75 Å²	75	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-66.3	-44.6	174.8	-67.6	171.5	-13.8	0	0	111.3	F9 T10 A15 C16 V17	F9-Q13 VanDerWaalsContact CA-OE1 3.31Å; F9-Q13 HydrophobicContact CB-CB 4.35Å; F9-Q13 HydrophobicContact CD1-CB 4.21Å; T10-Q13 PolarHBondContact O-N 3.04Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.49Å; T10-Q13 PolarHBondContact OG1-N 3.16Å; Q13-A15 PolarHBondContact O-N 2.98Å; Q13-C16 PolarHBondContact O-N 3.04Å; Q13-V17 WeakPolarHBondContact O-CG2 3.49Å; Q13-V17 PolarHBondContact O-N 3.25Å
14	V	90.6	Very high	80.5	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-63.3	-41.5	175.5	174.8	0	0	0	0	111.3	F7 F9 T10 Q11 V17 C18 F33 L37 L43 V49	F7-V14 HydrophobicContact CE1-CG2 4.11Å; F7-V14 HydrophobicContact CZ-CG2 4.02Å; F9-V14 HydrophobicContact CB-CG2 3.75Å; T10-V14 WeakPolarHBondContact O-CG2 3.32Å; T10-V14 PolarHBondContact O-N 2.72Å; Q11-V14 PolarHBondContact O-N 3.19Å; V14-V17 PolarHBondContact O-N 2.96Å; V14-C18 WeakPolarHBondContact O-CB 3.42Å; V14-C18 PolarHBondContact O-N 2.77Å; V14-C18 PolarHBondContact O-SG 3.17Å; V14-F33 HydrophobicContact CB-CZ 4.35Å; V14-F33 HydrophobicContact CG1-CE1 3.92Å; V14-F33 HydrophobicContact CG1-CZ 3.95Å; V14-F33 HydrophobicContact CG2-CZ 4.24Å; V14-L37 HydrophobicContact CG1-CD1 3.99Å; V14-L37 HydrophobicContact CG1-CD2 3.79Å; V14-L37 HydrophobicContact CG2-CD2 4.24Å; V14-L43 HydrophobicContact CB-CD1 3.87Å; V14-L43 HydrophobicContact CG1-CD1 3.88Å; V14-L43 HydrophobicContact CG1-CG 4.48Å; V14-L43 HydrophobicContact CG2-CD1 4.05Å; V14-V49 HydrophobicContact CG1-CG2 3.8Å
15	A	90.1	Very high	82.7	Confident	13 Å²	13	67.3 Å²	67.3	11%	0.107	41%	0.408	C	S	.	.	H	α-helix	trans	-61.5	-47.9	174.8	0	0	0	0	0	111.6	Q11 E12 Q13 V17 C18 E19	Q11-A15 WeakPolarHBondContact O-CB 3.42Å; Q11-A15 PolarHBondContact O-N 3.21Å; E12-A15 PolarHBondContact O-N 3.08Å; Q13-A15 PolarHBondContact O-N 2.98Å; A15-V17 PolarHBondContact O-N 3.18Å; A15-C18 WeakPolarHBondContact O-CB 3.32Å; A15-C18 PolarHBondContact O-N 2.92Å; A15-C18 VanDerWaalsContact O-N 3.13Å; A15-E19 PolarHBondContact O-N 3.19Å
16	C	91.4	Very high	84.7	Confident	76 Å²	76	66 Å²	66	51%	0.514	40%	0.395	S	S	.	.	H	α-helix	trans	-57.4	-47.8	176	-177.2	0	0	0	0	112.1	E12 Q13 C18 E19 V20	E12-C16 VanDerWaalsContact O-CB 3.27Å; E12-C16 WeakPolarHBondContact O-CB 3.41Å; E12-C16 PolarHBondContact O-N 3.39Å; Q13-C16 PolarHBondContact O-N 3.04Å; C16-C18 VanDerWaalsContact C-N 3.3Å; C16-C18 PolarHBondContact O-N 3.21Å; C16-E19 PolarHBondContact O-N 3.33Å; C16-V20 WeakPolarHBondContact O-CG2 3.46Å; C16-V20 PolarHBondContact O-N 3.11Å
17	V	92	Very high	86.7	Confident	48 Å²	48	61.6 Å²	61.6	29%	0.291	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-38.6	176	173.3	0	0	0	0	111.5	Q13 V14 A15 L21 F33	Q13-V17 WeakPolarHBondContact O-CG2 3.49Å; Q13-V17 PolarHBondContact O-N 3.25Å; V14-V17 PolarHBondContact O-N 2.96Å; A15-V17 PolarHBondContact O-N 3.18Å; V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.06Å; V17-L21 PolarHBondContact O-N 3.45Å; V17-F33 HydrophobicContact CB-CE1 3.89Å; V17-F33 HydrophobicContact CB-CZ 3.83Å; V17-F33 HydrophobicContact CG1-CD1 3.83Å; V17-F33 HydrophobicContact CG1-CD2 4.21Å; V17-F33 HydrophobicContact CG1-CE1 3.51Å; V17-F33 HydrophobicContact CG1-CE2 3.93Å; V17-F33 HydrophobicContact CG1-CG 4.16Å; V17-F33 HydrophobicContact CG1-CZ 3.56Å
18	C	92.8	Very high	88.2	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-45.1	174.2	-71.8	0	0	0	0	112.1	V14 A15 C16 Q22 L30 A52	V14-C18 WeakPolarHBondContact O-CB 3.42Å; V14-C18 PolarHBondContact O-N 2.77Å; V14-C18 PolarHBondContact O-SG 3.17Å; A15-C18 WeakPolarHBondContact O-CB 3.32Å; A15-C18 PolarHBondContact O-N 2.92Å; A15-C18 VanDerWaalsContact O-N 3.13Å; C16-C18 VanDerWaalsContact C-N 3.3Å; C16-C18 PolarHBondContact O-N 3.21Å; C18-Q22 WeakPolarHBondContact O-CB 3.49Å; C18-Q22 VanDerWaalsContact O-CG 3.23Å; C18-Q22 WeakPolarHBondContact O-CG 3.37Å; C18-Q22 PolarHBondContact O-N 3.27Å; C18-Q22 VanDerWaalsContact O-N 3.15Å; C18-Q22 PolarHBondContact O-NE2 3.34Å; C18-L30 HydrophobicContact CB-CD1 4.48Å; C18-A52 HydrophobicContact CB-CB 3.95Å
19	E	91.1	Very high	89.5	Confident	44 Å²	44	66.6 Å²	66.6	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-66.5	-47.3	178.5	-63.4	-53.5	133.5	0	0	112	A15 C16 L21 Q22 Q23 S48 K51	A15-E19 PolarHBondContact O-N 3.19Å; C16-E19 PolarHBondContact O-N 3.33Å; E19-L21 PolarHBondContact O-N 3.04Å; E19-Q22 PolarHBondContact O-N 3.4Å; E19-Q23 WeakPolarHBondContact O-CG 3.31Å; E19-Q23 PolarHBondContact O-N 3.43Å; E19-S48 WeakPolarHBondContact OE1-CB 3.48Å; E19-S48 PolarHBondContact OE1-OG 2.95Å; E19-K51 WeakPolarHBondContact OE1-CE 3.32Å; E19-K51 IonicContact OE1-NZ 3.74Å; E19-K51 PolarHBondContact OE1-NZ 3.27Å; E19-K51 WeakPolarHBondContact OE2-CE 3.29Å; E19-K51 IonicContact OE2-NZ 3.77Å; E19-K51 PolarHBondContact OE2-NZ 3.18Å
20	V	94.1	Very high	90.5	Very high	89 Å²	89	61 Å²	61	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-44.1	-179.6	172.6	0	0	0	0	111.6	C16 Q22 Q23 G24	C16-V20 WeakPolarHBondContact O-CG2 3.46Å; C16-V20 PolarHBondContact O-N 3.11Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.25Å; V20-Q23 PolarHBondContact O-N 3.3Å; V20-G24 PolarHBondContact O-N 3.03Å
21	L	92.7	Very high	90.9	Very high	25 Å²	25	58 Å²	58	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-30.4	178	-70.7	176.5	0	0	0	113	V17 E19 G25 N26 R29 L30 F33	V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.06Å; V17-L21 PolarHBondContact O-N 3.45Å; E19-L21 PolarHBondContact O-N 3.04Å; L21-G25 PolarHBondContact O-N 3.25Å; L21-N26 PolarHBondContact O-N 3.32Å; L21-R29 HydrophobicContact CD1-CG 4.42Å; L21-R29 HydrophobicContact CD2-CB 4.36Å; L21-R29 HydrophobicContact CD2-CG 4.04Å; L21-L30 HydrophobicContact CB-CB 4.15Å; L21-L30 HydrophobicContact CB-CD1 3.96Å; L21-L30 HydrophobicContact CD1-CB 4.42Å; L21-L30 HydrophobicContact CD1-CD1 4.14Å; L21-F33 HydrophobicContact CD1-CB 4.25Å; L21-F33 HydrophobicContact CD1-CD1 4.41Å; L21-F33 HydrophobicContact CD1-CG 4.43Å
22	Q	91.3	Very high	91.3	Very high	30 Å²	30	63.5 Å²	63.5	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-69.7	-44.7	171.8	-77	171.4	91.9	0	0	111.8	C18 E19 V20 G25 L30	C18-Q22 WeakPolarHBondContact O-CB 3.49Å; C18-Q22 VanDerWaalsContact O-CG 3.23Å; C18-Q22 WeakPolarHBondContact O-CG 3.37Å; C18-Q22 PolarHBondContact O-N 3.27Å; C18-Q22 VanDerWaalsContact O-N 3.15Å; C18-Q22 PolarHBondContact O-NE2 3.34Å; E19-Q22 PolarHBondContact O-N 3.4Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.25Å; Q22-G25 PolarHBondContact O-N 3.03Å; Q22-L30 HydrophobicContact CG-CD2 3.54Å
23	Q	91.1	Very high	91.6	Very high	161 Å²	161	58.9 Å²	58.9	75%	0.752	32%	0.316	S	S	*	.	H	α-helix	trans	-65.2	-41.9	178.7	-70.5	176.8	21.6	0	0	111.7	E19 V20 G25	E19-Q23 WeakPolarHBondContact O-CG 3.31Å; E19-Q23 PolarHBondContact O-N 3.43Å; V20-Q23 PolarHBondContact O-N 3.3Å; Q23-G25 PolarHBondContact O-N 2.86Å
24	G	89.3	Confident	91.7	Very high	64 Å²	64	55.5 Å²	55.5	66%	0.66	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	3.3	173.9	0	0	0	0	0	115.1	V20 N26	V20-G24 PolarHBondContact O-N 3.03Å; G24-N26 PolarHBondContact O-N 3.04Å
25	G	89.1	Confident	91.6	Very high	51 Å²	51	65.4 Å²	65.4	53%	0.526	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	7.3	175.8	0	0	0	0	0	116	L21 Q22 Q23 L27	L21-G25 PolarHBondContact O-N 3.25Å; Q22-G25 PolarHBondContact O-N 3.03Å; Q23-G25 PolarHBondContact O-N 2.86Å; G25-L27 VanDerWaalsContact C-N 3.28Å; G25-L27 PolarHBondContact O-N 2.69Å
26	N	90.8	Very high	91.6	Very high	80 Å²	80	66.8 Å²	66.8	43%	0.428	35%	0.347	S	S	.	.			trans	-87.3	66.8	-172.9	-160	-35.9	0	0	0	111.5	L21 G24 E28 R29 L30	L21-N26 PolarHBondContact O-N 3.32Å; G24-N26 PolarHBondContact O-N 3.04Å; N26-E28 PolarHBondContact O-N 3.17Å; N26-R29 HydrophobicContact CB-CB 4.3Å; N26-R29 PolarHBondContact O-N 3.34Å; N26-R29 VanDerWaalsContact O-N 3.15Å; N26-R29 WeakPolarHBondContact OD1-CB 3.26Å; N26-R29 PolarHBondContact OD1-N 2.91Å; N26-R29 VanDerWaalsContact OD1-N 3.15Å; N26-L30 PolarHBondContact O-N 3.35Å
27	L	92.1	Very high	91.4	Very high	34 Å²	34	63.9 Å²	63.9	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-27.2	-172	-56.3	-173.5	0	0	0	113.1	G25 L30 G31 V55 H59	G25-L27 VanDerWaalsContact C-N 3.28Å; G25-L27 PolarHBondContact O-N 2.69Å; L27-L30 HydrophobicContact CD2-CD2 4.21Å; L27-G31 PolarHBondContact O-N 3.33Å; L27-V55 HydrophobicContact CD1-CG1 4.07Å; L27-V55 HydrophobicContact CD2-CG1 3.59Å; L27-V55 HydrophobicContact CG-CG1 4.48Å; L27-H59 HydrophobicContact CB-CB 4.47Å; L27-H59 HydrophobicContact CD1-CB 3.9Å
28	E	92.8	Very high	91	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-73.4	-34.3	174.9	-75.1	-53.4	127.2	0	0	113.2	N26 R32 H59	N26-E28 PolarHBondContact O-N 3.17Å; E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.26Å; E28-R32 PolarHBondContact O-NH1 2.89Å; E28-R32 IonicContact OE2-NH1 3.27Å; E28-H59 IonicContact OE1-CE1 2.63Å; E28-H59 PolarHBondContact OE1-CE1 3.22Å; E28-H59 VanDerWaalsContact OE1-CE1 3.3Å; E28-H59 IonicContact OE1-ND1 3.59Å; E28-H59 PolarHBondContact OE1-ND1 3.36Å
29	R	92.3	Very high	90.1	Very high	163 Å²	163	69 Å²	69	62%	0.615	37%	0.369	S	S	*	.	H	α-helix	trans	-71.8	-40.8	170.3	-172.7	171.2	-176.5	169.1	1.3	110.9	L21 N26 G31 R32 F33	L21-R29 HydrophobicContact CD1-CG 4.42Å; L21-R29 HydrophobicContact CD2-CB 4.36Å; L21-R29 HydrophobicContact CD2-CG 4.04Å; N26-R29 HydrophobicContact CB-CB 4.3Å; N26-R29 PolarHBondContact O-N 3.34Å; N26-R29 VanDerWaalsContact O-N 3.15Å; N26-R29 WeakPolarHBondContact OD1-CB 3.26Å; N26-R29 PolarHBondContact OD1-N 2.91Å; N26-R29 VanDerWaalsContact OD1-N 3.15Å; R29-G31 PolarHBondContact O-N 3.23Å; R29-R32 PolarHBondContact O-N 2.92Å; R29-F33 WeakPolarHBondContact O-CB 3.5Å; R29-F33 PolarHBondContact O-N 2.89Å
30	L	93.3	Very high	89.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.3	-45.6	173.9	-175.9	62.1	0	0	0	111.8	C18 L21 Q22 N26 L27 R32 F33 L34 A52 V56	C18-L30 HydrophobicContact CB-CD1 4.48Å; L21-L30 HydrophobicContact CB-CB 4.15Å; L21-L30 HydrophobicContact CB-CD1 3.96Å; L21-L30 HydrophobicContact CD1-CB 4.42Å; L21-L30 HydrophobicContact CD1-CD1 4.14Å; Q22-L30 HydrophobicContact CG-CD2 3.54Å; N26-L30 PolarHBondContact O-N 3.35Å; L27-L30 HydrophobicContact CD2-CD2 4.21Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.36Å; L30-F33 PolarHBondContact O-N 3.17Å; L30-L34 HydrophobicContact CD1-CD1 4.43Å; L30-L34 HydrophobicContact CD1-CG 4.33Å; L30-L34 HydrophobicContact CG-CD1 4.12Å; L30-L34 HydrophobicContact CG-CG 4.44Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 2.85Å; L30-A52 HydrophobicContact CD1-CB 3.98Å; L30-A52 HydrophobicContact CD2-CB 4.04Å; L30-A52 HydrophobicContact CG-CB 4.3Å; L30-V56 HydrophobicContact CB-CG2 4.19Å; L30-V56 HydrophobicContact CD2-CG2 3.8Å; L30-V56 HydrophobicContact CG-CG2 3.83Å
31	G	92.4	Very high	88.5	Confident	3 Å²	3	71.1 Å²	71.1	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-65	-28.6	178.5	0	0	0	0	0	114.4	L27 R29	L27-G31 PolarHBondContact O-N 3.33Å; R29-G31 PolarHBondContact O-N 3.23Å
32	R	92.9	Very high	87.8	Confident	162 Å²	162	76 Å²	76	61%	0.611	40%	0.404	S	S	*	.	H	α-helix	trans	-76.5	-43.2	170.8	-71	177.9	-176.1	79.5	-6.6	111.7	E28 R29 L30 L34 W35 S36	E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.26Å; E28-R32 PolarHBondContact O-NH1 2.89Å; E28-R32 IonicContact OE2-NH1 3.27Å; R29-R32 PolarHBondContact O-N 2.92Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.36Å; R32-L34 PolarHBondContact O-N 3.25Å; R32-W35 PolarHBondContact O-N 3.47Å; R32-W35 VanDerWaalsContact O-N 3.16Å; R32-S36 PolarHBondContact O-N 2.85Å
33	F	91.9	Very high	87.4	Confident	29 Å²	29	75.1 Å²	75.1	13%	0.127	40%	0.401	C	S	.	.	H	α-helix	trans	-58.3	-48.8	176.7	176.7	-113.3	0	0	0	111.7	V14 V17 L21 R29 L30 W35 S36 L37	V14-F33 HydrophobicContact CB-CZ 4.35Å; V14-F33 HydrophobicContact CG1-CE1 3.92Å; V14-F33 HydrophobicContact CG1-CZ 3.95Å; V14-F33 HydrophobicContact CG2-CZ 4.24Å; V17-F33 HydrophobicContact CB-CE1 3.89Å; V17-F33 HydrophobicContact CB-CZ 3.83Å; V17-F33 HydrophobicContact CG1-CD1 3.83Å; V17-F33 HydrophobicContact CG1-CD2 4.21Å; V17-F33 HydrophobicContact CG1-CE1 3.51Å; V17-F33 HydrophobicContact CG1-CE2 3.93Å; V17-F33 HydrophobicContact CG1-CG 4.16Å; V17-F33 HydrophobicContact CG1-CZ 3.56Å; L21-F33 HydrophobicContact CD1-CB 4.25Å; L21-F33 HydrophobicContact CD1-CD1 4.41Å; L21-F33 HydrophobicContact CD1-CG 4.43Å; R29-F33 WeakPolarHBondContact O-CB 3.5Å; R29-F33 PolarHBondContact O-N 2.89Å; L30-F33 PolarHBondContact O-N 3.17Å; F33-W35 PolarHBondContact O-N 3.42Å; F33-S36 WeakPolarHBondContact CA-OG 3.36Å; F33-S36 PolarHBondContact O-N 2.95Å; F33-S36 PolarHBondContact O-OG 3.45Å; F33-L37 HydrophobicContact CE1-CD2 4.1Å; F33-L37 HydrophobicContact CE2-CD2 4.12Å; F33-L37 HydrophobicContact CZ-CD2 3.86Å; F33-L37 WeakPolarHBondContact O-CG 3.18Å; F33-L37 PolarHBondContact O-N 3.22Å
34	L	91.2	Very high	87	Confident	16 Å²	16	69.5 Å²	69.5	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-29.7	176.2	-71.2	174	0	0	0	113.6	L30 R32 L37 V49 A52 K53 V56	L30-L34 HydrophobicContact CD1-CD1 4.43Å; L30-L34 HydrophobicContact CD1-CG 4.33Å; L30-L34 HydrophobicContact CG-CD1 4.12Å; L30-L34 HydrophobicContact CG-CG 4.44Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 2.85Å; R32-L34 PolarHBondContact O-N 3.25Å; L34-L37 HydrophobicContact CD2-CD1 3.97Å; L34-V49 HydrophobicContact CD2-CG1 4.01Å; L34-A52 HydrophobicContact CD1-CB 4.01Å; L34-A52 HydrophobicContact CD2-CB 4.12Å; L34-K53 HydrophobicContact CD1-CG 3.95Å; L34-K53 HydrophobicContact CD2-CG 4.18Å; L34-V56 HydrophobicContact CD1-CB 4.34Å; L34-V56 HydrophobicContact CD1-CG2 3.92Å
35	W	89.9	Confident	86.8	Confident	209 Å²	209	73.1 Å²	73.1	79%	0.792	37%	0.372	S	S	*	.	H	α-helix	trans	-78.7	-27.8	175.4	-176.7	83.4	0	0	0	112.6	R32 F33 L37	R32-W35 PolarHBondContact O-N 3.47Å; R32-W35 VanDerWaalsContact O-N 3.16Å; F33-W35 PolarHBondContact O-N 3.42Å; W35-L37 VanDerWaalsContact C-N 3.31Å
36	S	89.3	Confident	86.8	Confident	42 Å²	42	72 Å²	72	29%	0.294	35%	0.354	S	S	.	.	S	Bend	trans	-80.9	-3.8	175.3	64.9	0	0	0	0	114.9	R32 F33	R32-S36 PolarHBondContact O-N 2.85Å; F33-S36 WeakPolarHBondContact CA-OG 3.36Å; F33-S36 PolarHBondContact O-N 2.95Å; F33-S36 PolarHBondContact O-OG 3.45Å
37	L	86.8	Confident	86.9	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.079	34%	0.342	C	S	.	.	S	Bend	trans	-69.8	140.9	177.2	-59.3	-175.6	0	0	0	110.7	F7 V14 F33 L34 W35 L43 V49	F7-L37 HydrophobicContact CE2-CD2 3.98Å; F7-L37 HydrophobicContact CZ-CD2 3.54Å; V14-L37 HydrophobicContact CG1-CD1 3.99Å; V14-L37 HydrophobicContact CG1-CD2 3.79Å; V14-L37 HydrophobicContact CG2-CD2 4.24Å; F33-L37 HydrophobicContact CE1-CD2 4.1Å; F33-L37 HydrophobicContact CE2-CD2 4.12Å; F33-L37 HydrophobicContact CZ-CD2 3.86Å; F33-L37 WeakPolarHBondContact O-CG 3.18Å; F33-L37 PolarHBondContact O-N 3.22Å; L34-L37 HydrophobicContact CD2-CD1 3.97Å; W35-L37 VanDerWaalsContact C-N 3.31Å; L37-L43 HydrophobicContact CB-CD2 4.17Å; L37-L43 HydrophobicContact CD1-CD2 4.31Å; L37-L43 HydrophobicContact CD2-CD2 4.37Å; L37-V49 HydrophobicContact CD1-CG1 3.98Å
38	P	83.8	Confident	86.9	Confident	52 Å²	52	69.5 Å²	69.5	34%	0.338	34%	0.341	S	S	.	.			trans	-68.5	155.9	177	31.1	-36.5	0	0	0	110.6	F7 C40 L43 H44	F7-P38 HydrophobicContact CB-CG 4.4Å; F7-P38 HydrophobicContact CD1-CG 3.63Å; F7-P38 HydrophobicContact CD2-CG 4.36Å; F7-P38 HydrophobicContact CE1-CG 3.94Å; F7-P38 HydrophobicContact CG-CG 3.87Å; F7-P38 HydrophobicContact CZ-CG 4.44Å; P38-C40 PolarHBondContact O-N 3.33Å; P38-L43 HydrophobicContact CG-CD2 4.24Å; P38-H44 PolarHBondContact O-CE1 3.03Å
39	A	74.3	Confident	87	Confident	104 Å²	104	65.9 Å²	65.9	86%	0.86	32%	0.324	S	S	*	.	S	Bend	trans	-73	59	175.9	0	0	0	0	0	112.5
40	C	76.4	Confident	87.1	Confident	60 Å²	60	58.6 Å²	58.6	41%	0.405	30%	0.297	S	S	.	.			trans	-98.6	122.5	172.5	177.6	0	0	0	0	109.8	P38 H42 L43 H44	P38-C40 PolarHBondContact O-N 3.33Å; C40-H42 VanDerWaalsContact C-N 3.32Å; C40-H42 PolarHBondContact O-N 3.33Å; C40-L43 HydrophobicContact CB-CB 4.12Å; C40-L43 PolarHBondContact O-N 2.67Å; C40-H44 PolarHBondContact O-N 3.03Å; C40-H44 PolarHBondContact O-ND1 3.29Å
41	D	75.8	Confident	87.2	Confident	117 Å²	117	59.1 Å²	59.1	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-63.2	-35.4	-177.9	-77.8	-13.1	0	0	0	113.3	H44 K45	D41-H44 PolarHBondContact O-N 3.32Å; D41-K45 VanDerWaalsContact O-CG 3.31Å; D41-K45 WeakPolarHBondContact O-CG 3.28Å; D41-K45 PolarHBondContact O-N 2.86Å; D41-K45 VanDerWaalsContact O-N 3.1Å
42	H	77.3	Confident	87.4	Confident	127 Å²	127	59 Å²	59	59%	0.588	30%	0.298	S	S	*	.	H	α-helix	trans	-68.2	-44.6	-178.2	-161.4	67.7	0	0	0	111	Q11 C40 H44 K45 N46	Q11-H42 PolarHBondContact OE1-CD2 3.16Å; C40-H42 VanDerWaalsContact C-N 3.32Å; C40-H42 PolarHBondContact O-N 3.33Å; H42-H44 VanDerWaalsContact C-N 3.26Å; H42-H44 PolarHBondContact O-N 3.36Å; H42-K45 PolarHBondContact O-N 3.46Å; H42-K45 VanDerWaalsContact O-N 3.16Å; H42-N46 PolarHBondContact O-N 2.98Å
43	L	82.1	Confident	87.5	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-37.8	174.7	-171.5	65.5	0	0	0	112	F7 Q11 V14 L37 P38 C40 K45 N46	F7-L43 HydrophobicContact CE1-CD2 4.48Å; Q11-L43 HydrophobicContact CB-CD1 4.34Å; Q11-L43 HydrophobicContact CG-CD1 4.37Å; V14-L43 HydrophobicContact CB-CD1 3.87Å; V14-L43 HydrophobicContact CG1-CD1 3.88Å; V14-L43 HydrophobicContact CG1-CG 4.48Å; V14-L43 HydrophobicContact CG2-CD1 4.05Å; L37-L43 HydrophobicContact CB-CD2 4.17Å; L37-L43 HydrophobicContact CD1-CD2 4.31Å; L37-L43 HydrophobicContact CD2-CD2 4.37Å; P38-L43 HydrophobicContact CG-CD2 4.24Å; C40-L43 HydrophobicContact CB-CB 4.12Å; C40-L43 PolarHBondContact O-N 2.67Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-N46 VanDerWaalsContact O-CB 3.28Å; L43-N46 WeakPolarHBondContact O-CB 3.44Å; L43-N46 PolarHBondContact O-N 3.1Å
44	H	82.9	Confident	87.7	Confident	43 Å²	43	53 Å²	53	20%	0.199	28%	0.277	C	S	.	.	H	α-helix	trans	-76.4	-17.2	180	-79	119.1	0	0	0	115.1	P38 C40 D41 H42 L50 K53	P38-H44 PolarHBondContact O-CE1 3.03Å; C40-H44 PolarHBondContact O-N 3.03Å; C40-H44 PolarHBondContact O-ND1 3.29Å; D41-H44 PolarHBondContact O-N 3.32Å; H42-H44 VanDerWaalsContact C-N 3.26Å; H42-H44 PolarHBondContact O-N 3.36Å; H44-L50 WeakPolarHBondContact O-CD2 3.15Å; H44-L50 WeakPolarHBondContact O-CG 3.48Å; H44-K53 PolarHBondContact CD2-NZ 3.15Å; H44-K53 PolarHBondContact NE2-NZ 3.15Å; H44-K53 VanDerWaalsContact NE2-NZ 3.19Å
45	K	84.8	Confident	88	Confident	139 Å²	139	52.9 Å²	52.9	60%	0.604	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.1	171	-69.9	168.1	-174.6	175.9	0	112.8	D41 H42 L43 E47	D41-K45 VanDerWaalsContact O-CG 3.31Å; D41-K45 WeakPolarHBondContact O-CG 3.28Å; D41-K45 PolarHBondContact O-N 2.86Å; D41-K45 VanDerWaalsContact O-N 3.1Å; H42-K45 PolarHBondContact O-N 3.46Å; H42-K45 VanDerWaalsContact O-N 3.16Å; L43-K45 VanDerWaalsContact C-N 3.33Å; K45-E47 PolarHBondContact O-N 3.09Å
46	N	90.1	Very high	88.3	Confident	28 Å²	28	43.4 Å²	43.4	15%	0.15	24%	0.241	C	C	.	.			trans	-65.4	131.3	177.3	-176.7	-83.5	0	0	0	111.4	Q11 H42 L43 S48 V49 L50	Q11-N46 HydrophobicContact CG-CB 4.29Å; Q11-N46 WeakPolarHBondContact CG-ND2 3.31Å; Q11-N46 PolarHBondContact NE2-ND2 3.31Å; H42-N46 PolarHBondContact O-N 2.98Å; L43-N46 VanDerWaalsContact O-CB 3.28Å; L43-N46 WeakPolarHBondContact O-CB 3.44Å; L43-N46 PolarHBondContact O-N 3.1Å; N46-S48 PolarHBondContact O-N 3.08Å; N46-S48 WeakPolarHBondContact OD1-CB 3.47Å; N46-S48 PolarHBondContact OD1-N 3.33Å; N46-V49 HydrophobicContact CB-CB 4.29Å; N46-V49 HydrophobicContact CB-CG2 4.04Å; N46-V49 PolarHBondContact O-N 3.41Å; N46-V49 VanDerWaalsContact O-N 3.13Å; N46-V49 PolarHBondContact OD1-N 2.93Å; N46-L50 WeakPolarHBondContact O-CG 3.44Å; N46-L50 PolarHBondContact O-N 3.49Å
47	E	92.4	Very high	88.6	Confident	40 Å²	40	41.8 Å²	41.8	19%	0.187	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-39.4	-172.8	-161.3	-176.3	157.6	0	0	113.3	K45 V49 L50 K51 F75 S76 N79	K45-E47 PolarHBondContact O-N 3.09Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 2.91Å; E47-L50 PolarHBondContact O-N 3.08Å; E47-K51 VanDerWaalsContact O-CB 3.26Å; E47-K51 WeakPolarHBondContact O-CB 3.34Å; E47-K51 PolarHBondContact O-N 3.03Å; E47-F75 HydrophobicContact CG-CD1 3.49Å; E47-F75 VanDerWaalsContact CG-CD1 3.49Å; E47-F75 HydrophobicContact CG-CE1 4.06Å; E47-F75 HydrophobicContact CG-CG 4.42Å; E47-F75 WeakPolarHBondContact OE1-CA 3.45Å; E47-S76 VanDerWaalsContact CD-N 3.31Å; E47-S76 WeakPolarHBondContact OE1-CB 3.4Å; E47-S76 PolarHBondContact OE1-N 3.5Å; E47-S76 VanDerWaalsContact OE2-CB 3.23Å; E47-S76 WeakPolarHBondContact OE2-CB 3.3Å; E47-S76 PolarHBondContact OE2-N 3.46Å; E47-S76 PolarHBondContact OE2-OG 3.47Å; E47-N79 VanDerWaalsContact CD-ND2 3.35Å; E47-N79 PolarHBondContact OE1-ND2 3.36Å
48	S	93.2	Very high	89.1	Confident	22 Å²	22	43.8 Å²	43.8	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-37	176.7	-68.4	0	0	0	0	112.2	E19 N46 A52	E19-S48 WeakPolarHBondContact OE1-CB 3.48Å; E19-S48 PolarHBondContact OE1-OG 2.95Å; N46-S48 PolarHBondContact O-N 3.08Å; N46-S48 WeakPolarHBondContact OD1-CB 3.47Å; N46-S48 PolarHBondContact OD1-N 3.33Å; S48-A52 VanDerWaalsContact O-CB 3.24Å; S48-A52 WeakPolarHBondContact O-CB 3.48Å; S48-A52 PolarHBondContact O-N 3.45Å
49	V	93.7	Very high	89.7	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.2	-43.6	175.9	178.2	0	0	0	0	110.7	V14 L34 L37 N46 E47 A52 K53	V14-V49 HydrophobicContact CG1-CG2 3.8Å; L34-V49 HydrophobicContact CD2-CG1 4.01Å; L37-V49 HydrophobicContact CD1-CG1 3.98Å; N46-V49 HydrophobicContact CB-CB 4.29Å; N46-V49 HydrophobicContact CB-CG2 4.04Å; N46-V49 PolarHBondContact O-N 3.41Å; N46-V49 VanDerWaalsContact O-N 3.13Å; N46-V49 PolarHBondContact OD1-N 2.93Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 2.91Å; V49-A52 PolarHBondContact O-N 2.95Å; V49-K53 WeakPolarHBondContact O-CB 3.44Å; V49-K53 WeakPolarHBondContact O-CG 3.29Å; V49-K53 PolarHBondContact O-N 3.12Å
50	L	95.1	Very high	90.6	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-44.7	175.6	-71.6	168.2	0	0	0	111.8	H44 N46 E47 K53 A54 I69 H73 F75	H44-L50 WeakPolarHBondContact O-CD2 3.15Å; H44-L50 WeakPolarHBondContact O-CG 3.48Å; N46-L50 WeakPolarHBondContact O-CG 3.44Å; N46-L50 PolarHBondContact O-N 3.49Å; E47-L50 PolarHBondContact O-N 3.08Å; L50-K53 PolarHBondContact O-N 3.32Å; L50-A54 PolarHBondContact O-N 3.28Å; L50-I69 HydrophobicContact CB-CG2 4.45Å; L50-I69 HydrophobicContact CD2-CG2 4.37Å; L50-H73 HydrophobicContact CD1-CB 3.84Å; L50-F75 HydrophobicContact CB-CE1 3.87Å; L50-F75 HydrophobicContact CB-CZ 3.97Å
51	K	95.2	Very high	91.5	Very high	12 Å²	12	46.9 Å²	46.9	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-46.2	174.6	-174.5	174.9	81.5	-165.1	0	111.6	E19 E47 A54 V55 N79 L83	E19-K51 WeakPolarHBondContact OE1-CE 3.32Å; E19-K51 IonicContact OE1-NZ 3.74Å; E19-K51 PolarHBondContact OE1-NZ 3.27Å; E19-K51 WeakPolarHBondContact OE2-CE 3.29Å; E19-K51 IonicContact OE2-NZ 3.77Å; E19-K51 PolarHBondContact OE2-NZ 3.18Å; E47-K51 VanDerWaalsContact O-CB 3.26Å; E47-K51 WeakPolarHBondContact O-CB 3.34Å; E47-K51 PolarHBondContact O-N 3.03Å; K51-A54 WeakPolarHBondContact O-CB 3.35Å; K51-A54 PolarHBondContact O-N 2.96Å; K51-V55 WeakPolarHBondContact O-CG2 3.35Å; K51-V55 PolarHBondContact O-N 3.08Å; K51-N79 HydrophobicContact CD-CB 4.18Å; K51-N79 WeakPolarHBondContact CD-OD1 3.37Å; K51-N79 PolarHBondContact NZ-OD1 3.04Å; K51-L83 HydrophobicContact CG-CD2 3.98Å
52	A	95.6	Very high	92.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-42.9	175.3	0	0	0	0	0	112.5	C18 L30 L34 S48 V49 A54 V55 V56	C18-A52 HydrophobicContact CB-CB 3.95Å; L30-A52 HydrophobicContact CD1-CB 3.98Å; L30-A52 HydrophobicContact CD2-CB 4.04Å; L30-A52 HydrophobicContact CG-CB 4.3Å; L34-A52 HydrophobicContact CD1-CB 4.01Å; L34-A52 HydrophobicContact CD2-CB 4.12Å; S48-A52 VanDerWaalsContact O-CB 3.24Å; S48-A52 WeakPolarHBondContact O-CB 3.48Å; S48-A52 PolarHBondContact O-N 3.45Å; V49-A52 PolarHBondContact O-N 2.95Å; A52-A54 PolarHBondContact O-N 2.69Å; A52-V55 PolarHBondContact O-N 3.03Å; A52-V56 WeakPolarHBondContact O-CG2 3.44Å; A52-V56 PolarHBondContact O-N 3.26Å
53	K	95.3	Very high	93.5	Very high	66 Å²	66	40.6 Å²	40.6	29%	0.287	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-43.6	173.7	-76.1	-175.2	176.6	-163.1	0	111.7	L34 H44 V49 L50 V56 A57 I69	L34-K53 HydrophobicContact CD1-CG 3.95Å; L34-K53 HydrophobicContact CD2-CG 4.18Å; H44-K53 PolarHBondContact CD2-NZ 3.15Å; H44-K53 PolarHBondContact NE2-NZ 3.15Å; H44-K53 VanDerWaalsContact NE2-NZ 3.19Å; V49-K53 WeakPolarHBondContact O-CB 3.44Å; V49-K53 WeakPolarHBondContact O-CG 3.29Å; V49-K53 PolarHBondContact O-N 3.12Å; L50-K53 PolarHBondContact O-N 3.32Å; K53-V56 PolarHBondContact O-N 2.63Å; K53-A57 VanDerWaalsContact O-CB 3.32Å; K53-A57 WeakPolarHBondContact O-CB 3.49Å; K53-A57 PolarHBondContact O-N 3.4Å; K53-I69 HydrophobicContact CB-CD1 3.77Å
54	A	96.9	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-45.9	175.4	0	0	0	0	0	112.1	L50 K51 A52 V56 A57 F58 L66 I69 L70 L83 L86	L50-A54 PolarHBondContact O-N 3.28Å; K51-A54 WeakPolarHBondContact O-CB 3.35Å; K51-A54 PolarHBondContact O-N 2.96Å; A52-A54 PolarHBondContact O-N 2.69Å; A54-V56 PolarHBondContact O-N 3Å; A54-A57 PolarHBondContact O-N 2.97Å; A54-F58 PolarHBondContact O-N 3.44Å; A54-L66 HydrophobicContact CB-CD1 3.72Å; A54-I69 HydrophobicContact CB-CG2 4.1Å; A54-L70 HydrophobicContact CB-CD2 4.15Å; A54-L83 HydrophobicContact CB-CD2 4.49Å; A54-L86 HydrophobicContact CB-CD1 4.36Å
55	V	96.3	Very high	94.8	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-43.5	176.4	173.7	0	0	0	0	111.7	L27 K51 A52 F58 H59 L86	L27-V55 HydrophobicContact CD1-CG1 4.07Å; L27-V55 HydrophobicContact CD2-CG1 3.59Å; L27-V55 HydrophobicContact CG-CG1 4.48Å; K51-V55 WeakPolarHBondContact O-CG2 3.35Å; K51-V55 PolarHBondContact O-N 3.08Å; A52-V55 PolarHBondContact O-N 3.03Å; V55-F58 PolarHBondContact O-N 2.98Å; V55-H59 PolarHBondContact O-N 3.46Å; V55-L86 HydrophobicContact CG2-CD1 3.85Å
56	V	96.6	Very high	95.4	Very high	9 Å²	9	45 Å²	45	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-69.1	-38.1	178.1	171	0	0	0	0	112	L30 L34 A52 K53 A54 H59 R60	L30-V56 HydrophobicContact CB-CG2 4.19Å; L30-V56 HydrophobicContact CD2-CG2 3.8Å; L30-V56 HydrophobicContact CG-CG2 3.83Å; L34-V56 HydrophobicContact CD1-CB 4.34Å; L34-V56 HydrophobicContact CD1-CG2 3.92Å; A52-V56 WeakPolarHBondContact O-CG2 3.44Å; A52-V56 PolarHBondContact O-N 3.26Å; K53-V56 PolarHBondContact O-N 2.63Å; A54-V56 PolarHBondContact O-N 3Å; V56-H59 PolarHBondContact O-N 3.29Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 3.35Å
57	A	96.8	Very high	95.7	Very high	9 Å²	9	44.9 Å²	44.9	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-43.8	174.3	0	0	0	0	0	111.4	K53 A54 R60 G61 N62 E65 L66	K53-A57 VanDerWaalsContact O-CB 3.32Å; K53-A57 WeakPolarHBondContact O-CB 3.49Å; K53-A57 PolarHBondContact O-N 3.4Å; A54-A57 PolarHBondContact O-N 2.97Å; A57-R60 PolarHBondContact O-N 2.97Å; A57-G61 PolarHBondContact O-N 3.25Å; A57-N62 PolarHBondContact O-N 3.26Å; A57-E65 HydrophobicContact CB-CB 4.47Å; A57-L66 HydrophobicContact CB-CB 4.14Å
58	F	96.9	Very high	95.9	Very high	56 Å²	56	48.4 Å²	48.4	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.1	-179.5	-95.1	0	0	0	112.3	A54 V55 R60 G61 F63 L66 L86 K89 A90	A54-F58 PolarHBondContact O-N 3.44Å; V55-F58 PolarHBondContact O-N 2.98Å; F58-R60 VanDerWaalsContact C-N 3.28Å; F58-R60 PolarHBondContact O-N 2.98Å; F58-G61 PolarHBondContact O-N 3.44Å; F58-F63 HydrophobicContact CD2-CD1 4.32Å; F58-F63 AromaticContact CD2-CE1 3.89Å; F58-F63 HydrophobicContact CD2-CE1 3.89Å; F58-F63 HydrophobicContact CE2-CE1 4.07Å; F58-L66 HydrophobicContact CB-CD2 4.15Å; F58-L66 HydrophobicContact CD2-CD2 3.95Å; F58-L86 HydrophobicContact CB-CD2 3.96Å; F58-L86 HydrophobicContact CD1-CD2 3.84Å; F58-L86 HydrophobicContact CD2-CD2 4.17Å; F58-L86 HydrophobicContact CE1-CD2 4.42Å; F58-L86 HydrophobicContact CG-CD2 3.7Å; F58-K89 HydrophobicContact CE2-CB 3.75Å; F58-K89 HydrophobicContact CZ-CB 3.8Å; F58-K89 HydrophobicContact CZ-CD 4.42Å; F58-A90 HydrophobicContact CD2-CB 4.1Å; F58-A90 HydrophobicContact CE2-CB 4.15Å
59	H	95.5	Very high	96	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.458	22%	0.219	S	C	.	.	H	α-helix	trans	-58.5	-39.5	179	-175.1	-110	0	0	0	112.7	L27 E28 V55 V56 G61	L27-H59 HydrophobicContact CB-CB 4.47Å; L27-H59 HydrophobicContact CD1-CB 3.9Å; E28-H59 IonicContact OE1-CE1 2.63Å; E28-H59 PolarHBondContact OE1-CE1 3.22Å; E28-H59 VanDerWaalsContact OE1-CE1 3.3Å; E28-H59 IonicContact OE1-ND1 3.59Å; E28-H59 PolarHBondContact OE1-ND1 3.36Å; V55-H59 PolarHBondContact O-N 3.46Å; V56-H59 PolarHBondContact O-N 3.29Å; H59-G61 VanDerWaalsContact C-N 3.25Å; H59-G61 PolarHBondContact O-N 2.96Å
60	R	94.7	Very high	96.2	Very high	143 Å²	143	47.8 Å²	47.8	54%	0.54	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1	178.4	-67.1	177	175.7	172.1	-0.6	113.9	V56 A57 F58 N62	V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 3.35Å; A57-R60 PolarHBondContact O-N 2.97Å; F58-R60 VanDerWaalsContact C-N 3.28Å; F58-R60 PolarHBondContact O-N 2.98Å; R60-N62 PolarHBondContact O-N 3.03Å
61	G	95.1	Very high	96.2	Very high	40 Å²	40	52.4 Å²	52.4	41%	0.412	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	13.5	-175.2	0	0	0	0	0	114.6	A57 F58 H59 F63	A57-G61 PolarHBondContact O-N 3.25Å; F58-G61 PolarHBondContact O-N 3.44Å; H59-G61 VanDerWaalsContact C-N 3.25Å; H59-G61 PolarHBondContact O-N 2.96Å; G61-F63 VanDerWaalsContact C-N 3.25Å; G61-F63 PolarHBondContact O-N 3.32Å
62	N	96.6	Very high	96.1	Very high	82 Å²	82	55.4 Å²	55.4	44%	0.439	26%	0.263	S	S	.	.			trans	-84.5	71.3	176	-173.9	-1.1	0	0	0	109.9	A57 R60 R64 E65 L66	A57-N62 PolarHBondContact O-N 3.26Å; R60-N62 PolarHBondContact O-N 3.03Å; N62-R64 VanDerWaalsContact C-N 3.27Å; N62-R64 PolarHBondContact O-N 2.93Å; N62-E65 PolarHBondContact O-N 2.91Å; N62-E65 PolarHBondContact OD1-N 2.88Å; N62-L66 PolarHBondContact O-N 3.5Å
63	F	97.1	Very high	96	Very high	30 Å²	30	58.4 Å²	58.4	13%	0.132	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-30	-176.5	-54.7	-48.9	0	0	0	112.8	F58 G61 E65 L66 Y67 A90 V93 E94	F58-F63 HydrophobicContact CD2-CD1 4.32Å; F58-F63 AromaticContact CD2-CE1 3.89Å; F58-F63 HydrophobicContact CD2-CE1 3.89Å; F58-F63 HydrophobicContact CE2-CE1 4.07Å; G61-F63 VanDerWaalsContact C-N 3.25Å; G61-F63 PolarHBondContact O-N 3.32Å; F63-E65 PolarHBondContact O-N 3.28Å; F63-L66 HydrophobicContact CD1-CD2 4.36Å; F63-L66 WeakPolarHBondContact O-CB 3.44Å; F63-L66 PolarHBondContact O-N 3.38Å; F63-Y67 HydrophobicContact CB-CD2 4.47Å; F63-Y67 HydrophobicContact CB-CE2 3.7Å; F63-Y67 WeakPolarHBondContact O-CD2 3.32Å; F63-Y67 WeakPolarHBondContact O-CE2 3.33Å; F63-Y67 PolarHBondContact O-N 3.13Å; F63-A90 HydrophobicContact CB-CB 4.42Å; F63-A90 HydrophobicContact CD1-CB 3.51Å; F63-A90 HydrophobicContact CE1-CB 3.94Å; F63-A90 HydrophobicContact CG-CB 4.05Å; F63-V93 HydrophobicContact CE2-CB 4.39Å; F63-V93 HydrophobicContact CE2-CG1 3.96Å; F63-V93 HydrophobicContact CZ-CB 4.12Å; F63-V93 HydrophobicContact CZ-CG1 3.81Å; F63-E94 HydrophobicContact CD2-CG 3.51Å; F63-E94 HydrophobicContact CE2-CG 3.97Å; F63-E94 HydrophobicContact CG-CG 4.34Å
64	R	96.9	Very high	95.8	Very high	214 Å²	214	61.6 Å²	61.6	81%	0.808	29%	0.293	S	S	*	.	H	α-helix	trans	-59.4	-44.4	175.8	-174	178.6	-178.5	-176.3	1.1	112.6	N62 K68	N62-R64 VanDerWaalsContact C-N 3.27Å; N62-R64 PolarHBondContact O-N 2.93Å; R64-K68 WeakPolarHBondContact O-CB 3.45Å; R64-K68 PolarHBondContact O-N 3.13Å; R64-K68 VanDerWaalsContact O-N 3.17Å
65	E	96.1	Very high	95.7	Very high	72 Å²	72	61.9 Å²	61.9	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-73.2	-34.7	177.2	-172.6	61.8	-164.4	0	0	111.6	A57 N62 F63 K68 I69	A57-E65 HydrophobicContact CB-CB 4.47Å; N62-E65 PolarHBondContact O-N 2.91Å; N62-E65 PolarHBondContact OD1-N 2.88Å; F63-E65 PolarHBondContact O-N 3.28Å; E65-K68 PolarHBondContact O-N 2.95Å; E65-K68 WeakPolarHBondContact OE2-CD 3.4Å; E65-K68 IonicContact OE2-NZ 3.6Å; E65-I69 HydrophobicContact CG-CD1 3.99Å; E65-I69 HydrophobicContact CG-CG1 4.46Å; E65-I69 WeakPolarHBondContact O-CD1 3.47Å; E65-I69 VanDerWaalsContact O-CG1 3.26Å; E65-I69 WeakPolarHBondContact O-CG1 3.3Å; E65-I69 PolarHBondContact O-N 3.38Å
66	L	97.1	Very high	95.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.9	-53.4	170.9	170.3	67.6	0	0	0	111.2	A54 A57 F58 N62 F63 K68 I69 L70 L86 A90	A54-L66 HydrophobicContact CB-CD1 3.72Å; A57-L66 HydrophobicContact CB-CB 4.14Å; F58-L66 HydrophobicContact CB-CD2 4.15Å; F58-L66 HydrophobicContact CD2-CD2 3.95Å; N62-L66 PolarHBondContact O-N 3.5Å; F63-L66 HydrophobicContact CD1-CD2 4.36Å; F63-L66 WeakPolarHBondContact O-CB 3.44Å; F63-L66 PolarHBondContact O-N 3.38Å; L66-K68 PolarHBondContact O-N 3.04Å; L66-I69 PolarHBondContact O-N 2.84Å; L66-L70 HydrophobicContact CD1-CD1 3.68Å; L66-L70 HydrophobicContact CD1-CG 3.98Å; L66-L70 HydrophobicContact CG-CD1 4.05Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.24Å; L66-L70 PolarHBondContact O-N 2.57Å; L66-L86 HydrophobicContact CD1-CB 4.2Å; L66-L86 HydrophobicContact CD1-CD1 4.4Å; L66-L86 HydrophobicContact CD2-CB 4.44Å; L66-A90 HydrophobicContact CD2-CB 3.57Å
67	Y	97.3	Very high	95.3	Very high	26 Å²	26	67.7 Å²	67.7	10%	0.102	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-47.9	-179.4	-55.4	-37.9	0	0	0	111	F63 I69 L70 E71 W87 A90 H91 E94	F63-Y67 HydrophobicContact CB-CD2 4.47Å; F63-Y67 HydrophobicContact CB-CE2 3.7Å; F63-Y67 WeakPolarHBondContact O-CD2 3.32Å; F63-Y67 WeakPolarHBondContact O-CE2 3.33Å; F63-Y67 PolarHBondContact O-N 3.13Å; Y67-I69 PolarHBondContact O-N 3.49Å; Y67-L70 PolarHBondContact O-N 3.28Å; Y67-L70 VanDerWaalsContact O-N 3.13Å; Y67-E71 WeakPolarHBondContact O-CB 3.22Å; Y67-E71 WeakPolarHBondContact O-CG 3.26Å; Y67-E71 PolarHBondContact O-N 2.88Å; Y67-W87 HydrophobicContact CD1-CD2 4.42Å; Y67-W87 AromaticContact CD1-CE3 3.72Å; Y67-W87 HydrophobicContact CD1-CE3 3.72Å; Y67-W87 HydrophobicContact CD1-CH2 4.34Å; Y67-W87 AromaticContact CD1-CZ3 3.67Å; Y67-W87 HydrophobicContact CD1-CZ3 3.67Å; Y67-W87 HydrophobicContact CE1-CE3 4.38Å; Y67-W87 HydrophobicContact CG-CZ3 4.16Å; Y67-A90 HydrophobicContact CE1-CB 3.76Å; Y67-A90 VanDerWaalsContact OH-CB 3.32Å; Y67-A90 WeakPolarHBondContact OH-CB 3.49Å; Y67-H91 AromaticContact CE1-CD2 3.97Å; Y67-H91 AromaticContact CE1-CE1 3.51Å; Y67-H91 AromaticContact CE1-ND1 3.91Å; Y67-H91 AromaticContact CE1-NE2 3.56Å; Y67-H91 AromaticContact CE2-CE1 3.57Å; Y67-H91 AromaticContact CE2-ND1 3.95Å; Y67-H91 AromaticContact CZ-CE1 3.21Å; Y67-H91 AromaticContact CZ-CG 4Å; Y67-H91 AromaticContact CZ-ND1 3.37Å; Y67-H91 AromaticContact CZ-NE2 3.77Å; Y67-H91 PolarHBondContact OH-CE1 3.36Å; Y67-H91 PolarHBondContact OH-N 2.84Å; Y67-H91 PolarHBondContact OH-ND1 2.9Å; Y67-E94 VanDerWaalsContact OH-CD 3.27Å; Y67-E94 PolarHBondContact OH-OE2 3.42Å
68	K	96.8	Very high	95.1	Very high	114 Å²	114	73.9 Å²	73.9	50%	0.496	36%	0.361	S	S	.	.	H	α-helix	trans	-54.8	-46.7	175.9	-175.8	-169.1	173	-162.9	0	112.8	R64 E65 L66 S72	R64-K68 WeakPolarHBondContact O-CB 3.45Å; R64-K68 PolarHBondContact O-N 3.13Å; R64-K68 VanDerWaalsContact O-N 3.17Å; E65-K68 PolarHBondContact O-N 2.95Å; E65-K68 WeakPolarHBondContact OE2-CD 3.4Å; E65-K68 IonicContact OE2-NZ 3.6Å; L66-K68 PolarHBondContact O-N 3.04Å; K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.96Å; K68-S72 PolarHBondContact O-OG 3.47Å
69	I	95.6	Very high	94.9	Very high	8 Å²	8	71.7 Å²	71.7	4%	0.041	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-47.2	178.2	-69.8	162.4	0	0	0	110.5	L50 K53 A54 E65 L66 Y67 H73 F75	L50-I69 HydrophobicContact CB-CG2 4.45Å; L50-I69 HydrophobicContact CD2-CG2 4.37Å; K53-I69 HydrophobicContact CB-CD1 3.77Å; A54-I69 HydrophobicContact CB-CG2 4.1Å; E65-I69 HydrophobicContact CG-CD1 3.99Å; E65-I69 HydrophobicContact CG-CG1 4.46Å; E65-I69 WeakPolarHBondContact O-CD1 3.47Å; E65-I69 VanDerWaalsContact O-CG1 3.26Å; E65-I69 WeakPolarHBondContact O-CG1 3.3Å; E65-I69 PolarHBondContact O-N 3.38Å; L66-I69 PolarHBondContact O-N 2.84Å; Y67-I69 PolarHBondContact O-N 3.49Å; I69-H73 PolarHBondContact O-ND1 3.13Å; I69-F75 HydrophobicContact CG2-CZ 4.22Å
70	L	96.1	Very high	94.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-34.1	-177.1	-63.6	-176.2	0	0	0	112.7	A54 L66 Y67 F75 L83 W87 T120 I121	A54-L70 HydrophobicContact CB-CD2 4.15Å; L66-L70 HydrophobicContact CD1-CD1 3.68Å; L66-L70 HydrophobicContact CD1-CG 3.98Å; L66-L70 HydrophobicContact CG-CD1 4.05Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.24Å; L66-L70 PolarHBondContact O-N 2.57Å; Y67-L70 PolarHBondContact O-N 3.28Å; Y67-L70 VanDerWaalsContact O-N 3.13Å; L70-F75 HydrophobicContact CD2-CE2 4.25Å; L70-F75 HydrophobicContact CD2-CZ 4.42Å; L70-L83 HydrophobicContact CD2-CB 4.01Å; L70-L83 HydrophobicContact CD2-CD1 4.18Å; L70-L83 HydrophobicContact CD2-CD2 3.83Å; L70-L83 HydrophobicContact CD2-CG 4.21Å; L70-W87 HydrophobicContact CB-CE3 4.27Å; L70-W87 HydrophobicContact CD1-CB 4.08Å; L70-W87 HydrophobicContact CD1-CE3 3.96Å; L70-T120 WeakPolarHBondContact O-CB 3.13Å; L70-T120 PolarHBondContact O-OG1 3.16Å; L70-I121 HydrophobicContact CD1-CD1 4.24Å; L70-I121 HydrophobicContact CD2-CG2 4.26Å
71	E	95.4	Very high	94.8	Very high	108 Å²	108	64.2 Å²	64.2	51%	0.505	33%	0.329	S	S	.	.	H	α-helix	trans	-82.9	-26.2	179.6	-68.5	173.4	140.5	0	0	113.5	Y67 W87 P118 T120	Y67-E71 WeakPolarHBondContact O-CB 3.22Å; Y67-E71 WeakPolarHBondContact O-CG 3.26Å; Y67-E71 PolarHBondContact O-N 2.88Å; E71-W87 HydrophobicContact CG-CH2 4.07Å; E71-W87 HydrophobicContact CG-CZ3 3.9Å; E71-W87 WeakPolarHBondContact OE1-CH2 3.36Å; E71-P118 HydrophobicContact CG-CB 4.18Å; E71-P118 HydrophobicContact CG-CG 4.19Å; E71-T120 WeakPolarHBondContact O-CG2 3.4Å
72	S	94.3	Very high	94.8	Very high	74 Å²	74	67.6 Å²	67.6	52%	0.517	33%	0.332	S	S	.	.	H	α-helix	trans	-90	-14.6	-171.7	-54.9	0	0	0	0	115.1	K68	K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.96Å; K68-S72 PolarHBondContact O-OG 3.47Å
73	H	92.9	Very high	94.8	Very high	63 Å²	63	63.7 Å²	63.7	29%	0.292	31%	0.311	S	S	.	.	S	Bend	trans	-133.8	135.6	-172.9	-54.8	88	0	0	0	111.1	L50 I69 F75 T120	L50-H73 HydrophobicContact CD1-CB 3.84Å; I69-H73 PolarHBondContact O-ND1 3.13Å; H73-F75 HydrophobicContact CB-CE2 4.12Å; H73-F75 HydrophobicContact CB-CZ 4.39Å; H73-F75 WeakPolarHBondContact O-CD2 3.49Å; H73-F75 WeakPolarHBondContact O-CE2 3.26Å; H73-T120 WeakPolarHBondContact O-CB 3.35Å; H73-T120 VanDerWaalsContact O-CG2 3.26Å; H73-T120 WeakPolarHBondContact O-CG2 3.48Å
74	Q	91.4	Very high	94.7	Very high	133 Å²	133	64.4 Å²	64.4	62%	0.621	32%	0.315	S	S	*	.			trans	-74.5	132.8	172.9	-168.4	66.6	46.6	0	0	110	R119 T120	Q74-R119 PolarHBondContact NE2-O 3.34Å; Q74-R119 VanDerWaalsContact NE2-O 3.16Å; Q74-T120 PolarHBondContact NE2-O 3.42Å; Q74-T120 VanDerWaalsContact NE2-O 3.17Å
75	F	93.6	Very high	94.7	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.026	30%	0.299	C	S	.	.			trans	-108.1	153.1	174.8	-66.8	-92.5	0	0	0	111	E47 L50 I69 L70 H73 H80 L83 T120 I121	E47-F75 HydrophobicContact CG-CD1 3.49Å; E47-F75 VanDerWaalsContact CG-CD1 3.49Å; E47-F75 HydrophobicContact CG-CE1 4.06Å; E47-F75 HydrophobicContact CG-CG 4.42Å; E47-F75 WeakPolarHBondContact OE1-CA 3.45Å; L50-F75 HydrophobicContact CB-CE1 3.87Å; L50-F75 HydrophobicContact CB-CZ 3.97Å; I69-F75 HydrophobicContact CG2-CZ 4.22Å; L70-F75 HydrophobicContact CD2-CE2 4.25Å; L70-F75 HydrophobicContact CD2-CZ 4.42Å; H73-F75 HydrophobicContact CB-CE2 4.12Å; H73-F75 HydrophobicContact CB-CZ 4.39Å; H73-F75 WeakPolarHBondContact O-CD2 3.49Å; H73-F75 WeakPolarHBondContact O-CE2 3.26Å; F75-H80 PolarHBondContact O-NE2 3.46Å; F75-L83 HydrophobicContact CB-CD1 3.75Å; F75-L83 HydrophobicContact CD1-CD1 3.28Å; F75-L83 HydrophobicContact CD2-CD1 3.69Å; F75-L83 HydrophobicContact CE1-CD1 3.71Å; F75-L83 HydrophobicContact CE2-CD1 4.08Å; F75-L83 HydrophobicContact CG-CD1 3.26Å; F75-L83 HydrophobicContact CZ-CD1 4.09Å; F75-T120 PolarHBondContact N-O 3.05Å; F75-I121 HydrophobicContact CB-CG2 4.39Å; F75-I121 HydrophobicContact CD2-CG2 3.58Å; F75-I121 HydrophobicContact CE2-CG2 4.22Å; F75-I121 HydrophobicContact CG-CG2 4.23Å
76	S	92.4	Very high	94.7	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	29%	0.286	S	S	.	.			trans	-71.7	146.2	173.9	-63.2	0	0	0	0	111.1	E47 H78 N79 H80	E47-S76 VanDerWaalsContact CD-N 3.31Å; E47-S76 WeakPolarHBondContact OE1-CB 3.4Å; E47-S76 PolarHBondContact OE1-N 3.5Å; E47-S76 VanDerWaalsContact OE2-CB 3.23Å; E47-S76 WeakPolarHBondContact OE2-CB 3.3Å; E47-S76 PolarHBondContact OE2-N 3.46Å; E47-S76 PolarHBondContact OE2-OG 3.47Å; S76-H78 WeakPolarHBondContact CB-CE1 3.12Å; S76-H78 WeakPolarHBondContact CB-ND1 3.19Å; S76-H78 PolarHBondContact O-N 2.96Å; S76-N79 PolarHBondContact O-N 3.39Å; S76-H80 PolarHBondContact O-CD2 3.07Å
77	P	92.3	Very high	94.7	Very high	101 Å²	101	56.6 Å²	56.6	66%	0.656	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-52.8	-34.2	-176.2	-30.1	36.2	0	0	0	115.1	N79 H80 P81	P77-N79 PolarHBondContact O-N 2.94Å; P77-H80 WeakPolarHBondContact O-CB 3.49Å; P77-H80 PolarHBondContact O-N 3.46Å; P77-H80 VanDerWaalsContact O-N 3.12Å; P77-P81 WeakPolarHBondContact O-CD 3.39Å
78	H	92.1	Very high	94.7	Very high	140 Å²	140	57.2 Å²	57.2	65%	0.648	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.8	179.1	70.7	-95.6	0	0	0	113.8	S76	S76-H78 WeakPolarHBondContact CB-CE1 3.12Å; S76-H78 WeakPolarHBondContact CB-ND1 3.19Å; S76-H78 PolarHBondContact O-N 2.96Å
79	N	93.4	Very high	94.7	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.048	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-91.5	-18.1	176	-71.9	-45.7	0	0	0	113.2	E47 K51 S76 P77 K82 L83	E47-N79 VanDerWaalsContact CD-ND2 3.35Å; E47-N79 PolarHBondContact OE1-ND2 3.36Å; K51-N79 HydrophobicContact CD-CB 4.18Å; K51-N79 WeakPolarHBondContact CD-OD1 3.37Å; K51-N79 PolarHBondContact NZ-OD1 3.04Å; S76-N79 PolarHBondContact O-N 3.39Å; P77-N79 PolarHBondContact O-N 2.94Å; N79-K82 PolarHBondContact O-N 3.35Å; N79-K82 VanDerWaalsContact O-N 3.16Å; N79-L83 HydrophobicContact CB-CD1 4.23Å; N79-L83 WeakPolarHBondContact O-CG 3.33Å; N79-L83 PolarHBondContact O-N 3.39Å
80	H	94.1	Very high	94.8	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.06	29%	0.289	C	S	.	.	H	α-helix	trans	-51	-49.5	-176.4	-70.4	-170	0	0	0	113.1	F75 S76 P77 K82 L83 Q84 I121	F75-H80 PolarHBondContact O-NE2 3.46Å; S76-H80 PolarHBondContact O-CD2 3.07Å; P77-H80 WeakPolarHBondContact O-CB 3.49Å; P77-H80 PolarHBondContact O-N 3.46Å; P77-H80 VanDerWaalsContact O-N 3.12Å; H80-K82 VanDerWaalsContact C-N 3.25Å; H80-K82 PolarHBondContact O-N 3.34Å; H80-K82 VanDerWaalsContact O-N 3.15Å; H80-L83 PolarHBondContact O-N 3.33Å; H80-L83 VanDerWaalsContact O-N 3.09Å; H80-Q84 WeakPolarHBondContact O-CB 3.47Å; H80-Q84 WeakPolarHBondContact O-CG 3.19Å; H80-Q84 PolarHBondContact O-N 3.44Å; H80-I121 WeakPolarHBondContact CB-O 3.46Å; H80-I121 VanDerWaalsContact CG-O 3.28Å; H80-I121 PolarHBondContact ND1-O 3.33Å
81	P	94.6	Very high	94.9	Very high	73 Å²	73	56.9 Å²	56.9	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-35.4	-176.3	-24.7	35	0	0	0	113.4	P77 Q85	P77-P81 WeakPolarHBondContact O-CD 3.39Å; P81-Q85 VanDerWaalsContact O-CG 3.25Å; P81-Q85 WeakPolarHBondContact O-CG 3.4Å; P81-Q85 PolarHBondContact O-N 3.37Å
82	K	94.6	Very high	95	Very high	110 Å²	110	53.4 Å²	53.4	48%	0.478	27%	0.274	S	S	.	.	H	α-helix	trans	-71.8	-43.4	178.1	-174.5	66.4	173.2	-165.4	0	111.4	N79 H80 Q85 L86	N79-K82 PolarHBondContact O-N 3.35Å; N79-K82 VanDerWaalsContact O-N 3.16Å; H80-K82 VanDerWaalsContact C-N 3.25Å; H80-K82 PolarHBondContact O-N 3.34Å; H80-K82 VanDerWaalsContact O-N 3.15Å; K82-Q85 WeakPolarHBondContact O-CB 3.43Å; K82-Q85 PolarHBondContact O-N 2.66Å; K82-L86 WeakPolarHBondContact O-CG 3.19Å; K82-L86 PolarHBondContact O-N 3.5Å
83	L	96.1	Very high	95	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.5	-40.4	-177.2	-61.3	-179.5	0	0	0	112.2	K51 A54 L70 F75 N79 H80 Q85 L86 W87 I121	K51-L83 HydrophobicContact CG-CD2 3.98Å; A54-L83 HydrophobicContact CB-CD2 4.49Å; L70-L83 HydrophobicContact CD2-CB 4.01Å; L70-L83 HydrophobicContact CD2-CD1 4.18Å; L70-L83 HydrophobicContact CD2-CD2 3.83Å; L70-L83 HydrophobicContact CD2-CG 4.21Å; F75-L83 HydrophobicContact CB-CD1 3.75Å; F75-L83 HydrophobicContact CD1-CD1 3.28Å; F75-L83 HydrophobicContact CD2-CD1 3.69Å; F75-L83 HydrophobicContact CE1-CD1 3.71Å; F75-L83 HydrophobicContact CE2-CD1 4.08Å; F75-L83 HydrophobicContact CG-CD1 3.26Å; F75-L83 HydrophobicContact CZ-CD1 4.09Å; N79-L83 HydrophobicContact CB-CD1 4.23Å; N79-L83 WeakPolarHBondContact O-CG 3.33Å; N79-L83 PolarHBondContact O-N 3.39Å; H80-L83 PolarHBondContact O-N 3.33Å; H80-L83 VanDerWaalsContact O-N 3.09Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 3.25Å; L83-L86 HydrophobicContact CD2-CD1 4.19Å; L83-L86 WeakPolarHBondContact O-CB 3.35Å; L83-L86 PolarHBondContact O-N 2.8Å; L83-L86 VanDerWaalsContact O-N 3.08Å; L83-W87 PolarHBondContact O-N 3.44Å; L83-I121 HydrophobicContact CB-CB 4.21Å; L83-I121 HydrophobicContact CB-CD1 4.26Å; L83-I121 HydrophobicContact CB-CG2 3.9Å; L83-I121 HydrophobicContact CD1-CG2 3.77Å
84	Q	95.8	Very high	95.2	Very high	45 Å²	45	53.1 Å²	53.1	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-40.9	171.7	-67	172.7	3.3	0	0	111.3	H80 L86 W87 L88 L117 I121	H80-Q84 WeakPolarHBondContact O-CB 3.47Å; H80-Q84 WeakPolarHBondContact O-CG 3.19Å; H80-Q84 PolarHBondContact O-N 3.44Å; Q84-L86 PolarHBondContact O-N 2.8Å; Q84-W87 PolarHBondContact O-N 3.31Å; Q84-L88 WeakPolarHBondContact O-CB 3.48Å; Q84-L88 VanDerWaalsContact O-CG 3.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.24Å; Q84-L88 PolarHBondContact O-N 3.28Å; Q84-L117 HydrophobicContact CB-CD1 4.27Å; Q84-L117 HydrophobicContact CB-CD2 3.92Å; Q84-L117 HydrophobicContact CG-CD1 3.78Å; Q84-L117 HydrophobicContact CG-CD2 3.9Å; Q84-L117 HydrophobicContact CG-CG 4.41Å; Q84-I121 HydrophobicContact CG-CD1 4.3Å; Q84-I121 HydrophobicContact CG-CG1 4.3Å; Q84-I121 WeakPolarHBondContact CG-O 3.37Å; Q84-I121 PolarHBondContact NE2-O 3.13Å
85	Q	96.1	Very high	95.4	Very high	99 Å²	99	47.7 Å²	47.7	46%	0.463	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-38.9	173.6	-77.2	178.8	20.2	0	0	112.9	P81 K82 L83 K89	P81-Q85 VanDerWaalsContact O-CG 3.25Å; P81-Q85 WeakPolarHBondContact O-CG 3.4Å; P81-Q85 PolarHBondContact O-N 3.37Å; K82-Q85 WeakPolarHBondContact O-CB 3.43Å; K82-Q85 PolarHBondContact O-N 2.66Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 3.25Å; Q85-K89 VanDerWaalsContact O-CB 3.24Å; Q85-K89 WeakPolarHBondContact O-CB 3.19Å; Q85-K89 WeakPolarHBondContact O-CG 3.28Å; Q85-K89 PolarHBondContact O-N 3.05Å
86	L	96.9	Very high	95.5	Very high	13 Å²	13	50 Å²	50	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-49.1	176.5	-66.4	174.5	0	0	0	111.2	A54 V55 F58 L66 K82 L83 Q84 L88 K89 A90	A54-L86 HydrophobicContact CB-CD1 4.36Å; V55-L86 HydrophobicContact CG2-CD1 3.85Å; F58-L86 HydrophobicContact CB-CD2 3.96Å; F58-L86 HydrophobicContact CD1-CD2 3.84Å; F58-L86 HydrophobicContact CD2-CD2 4.17Å; F58-L86 HydrophobicContact CE1-CD2 4.42Å; F58-L86 HydrophobicContact CG-CD2 3.7Å; L66-L86 HydrophobicContact CD1-CB 4.2Å; L66-L86 HydrophobicContact CD1-CD1 4.4Å; L66-L86 HydrophobicContact CD2-CB 4.44Å; K82-L86 WeakPolarHBondContact O-CG 3.19Å; K82-L86 PolarHBondContact O-N 3.5Å; L83-L86 HydrophobicContact CD2-CD1 4.19Å; L83-L86 WeakPolarHBondContact O-CB 3.35Å; L83-L86 PolarHBondContact O-N 2.8Å; L83-L86 VanDerWaalsContact O-N 3.08Å; Q84-L86 PolarHBondContact O-N 2.8Å; L86-L88 PolarHBondContact O-N 2.93Å; L86-K89 PolarHBondContact O-N 3.18Å; L86-A90 VanDerWaalsContact O-CB 3.29Å; L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 3.18Å
87	W	97.3	Very high	95.6	Very high	10 Å²	10	56.6 Å²	56.6	4%	0.038	28%	0.28	C	S	.	.	H	α-helix	trans	-52.6	-53.4	176.1	179.5	-88.8	0	0	0	111.8	Y67 L70 E71 L83 Q84 A90 H91 F115 P116 L117 P118 I121	Y67-W87 HydrophobicContact CD1-CD2 4.42Å; Y67-W87 AromaticContact CD1-CE3 3.72Å; Y67-W87 HydrophobicContact CD1-CE3 3.72Å; Y67-W87 HydrophobicContact CD1-CH2 4.34Å; Y67-W87 AromaticContact CD1-CZ3 3.67Å; Y67-W87 HydrophobicContact CD1-CZ3 3.67Å; Y67-W87 HydrophobicContact CE1-CE3 4.38Å; Y67-W87 HydrophobicContact CG-CZ3 4.16Å; L70-W87 HydrophobicContact CB-CE3 4.27Å; L70-W87 HydrophobicContact CD1-CB 4.08Å; L70-W87 HydrophobicContact CD1-CE3 3.96Å; E71-W87 HydrophobicContact CG-CH2 4.07Å; E71-W87 HydrophobicContact CG-CZ3 3.9Å; E71-W87 WeakPolarHBondContact OE1-CH2 3.36Å; L83-W87 PolarHBondContact O-N 3.44Å; Q84-W87 PolarHBondContact O-N 3.31Å; W87-A90 PolarHBondContact O-N 3.48Å; W87-H91 AromaticContact CD1-CD2 3.95Å; W87-H91 AromaticContact CE2-CD2 3.7Å; W87-H91 AromaticContact CE2-NE2 3.47Å; W87-H91 AromaticContact CH2-NE2 3.98Å; W87-H91 AromaticContact CZ2-NE2 3.44Å; W87-H91 WeakPolarHBondContact CZ2-NE2 3.44Å; W87-H91 AromaticContact NE1-CD2 3.57Å; W87-H91 AromaticContact NE1-NE2 3.81Å; W87-H91 PolarHBondContact O-N 3.17Å; W87-F115 HydrophobicContact CZ2-CB 4.44Å; W87-F115 PolarHBondContact NE1-O 3.17Å; W87-P116 WeakPolarHBondContact CZ2-O 3.44Å; W87-P116 PolarHBondContact NE1-O 2.99Å; W87-L117 HydrophobicContact CB-CD2 4.33Å; W87-L117 HydrophobicContact CG-CD2 4.12Å; W87-P118 HydrophobicContact CD2-CG 4.48Å; W87-P118 HydrophobicContact CE3-CG 4.1Å; W87-P118 HydrophobicContact CH2-CG 4.17Å; W87-P118 HydrophobicContact CZ3-CG 3.95Å; W87-I121 HydrophobicContact CB-CD1 4.18Å
88	L	96.9	Very high	95.6	Very high	39 Å²	39	59.2 Å²	59.2	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-44.1	-178.6	-68	175.8	0	0	0	112.3	Q84 L86 Y92 R112 L117	Q84-L88 WeakPolarHBondContact O-CB 3.48Å; Q84-L88 VanDerWaalsContact O-CG 3.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.24Å; Q84-L88 PolarHBondContact O-N 3.28Å; L86-L88 PolarHBondContact O-N 2.93Å; L88-Y92 HydrophobicContact CB-CE2 4.08Å; L88-Y92 WeakPolarHBondContact O-CD1 3.39Å; L88-Y92 WeakPolarHBondContact O-CD2 3.49Å; L88-Y92 PolarHBondContact O-N 2.99Å; L88-R112 HydrophobicContact CD2-CG 3.52Å; L88-L117 HydrophobicContact CD2-CD2 4.48Å; L88-L117 HydrophobicContact CG-CD2 4.29Å
89	K	96.9	Very high	95.7	Very high	107 Å²	107	59.4 Å²	59.4	47%	0.465	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-40.4	178.5	-75.4	175.8	-180	-179.6	0	111.8	F58 Q85 L86 Y92 V93	F58-K89 HydrophobicContact CE2-CB 3.75Å; F58-K89 HydrophobicContact CZ-CB 3.8Å; F58-K89 HydrophobicContact CZ-CD 4.42Å; Q85-K89 VanDerWaalsContact O-CB 3.24Å; Q85-K89 WeakPolarHBondContact O-CB 3.19Å; Q85-K89 WeakPolarHBondContact O-CG 3.28Å; Q85-K89 PolarHBondContact O-N 3.05Å; L86-K89 PolarHBondContact O-N 3.18Å; K89-Y92 PolarHBondContact O-N 3.42Å; K89-V93 WeakPolarHBondContact O-CG2 3.47Å; K89-V93 PolarHBondContact O-N 3.35Å
90	A	97.5	Very high	95.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-52.7	179	0	0	0	0	0	111.2	F58 F63 L66 Y67 L86 W87 Y92 V93 E94	F58-A90 HydrophobicContact CD2-CB 4.1Å; F58-A90 HydrophobicContact CE2-CB 4.15Å; F63-A90 HydrophobicContact CB-CB 4.42Å; F63-A90 HydrophobicContact CD1-CB 3.51Å; F63-A90 HydrophobicContact CE1-CB 3.94Å; F63-A90 HydrophobicContact CG-CB 4.05Å; L66-A90 HydrophobicContact CD2-CB 3.57Å; Y67-A90 HydrophobicContact CE1-CB 3.76Å; Y67-A90 VanDerWaalsContact OH-CB 3.32Å; Y67-A90 WeakPolarHBondContact OH-CB 3.49Å; L86-A90 VanDerWaalsContact O-CB 3.29Å; L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 3.18Å; W87-A90 PolarHBondContact O-N 3.48Å; A90-Y92 VanDerWaalsContact C-N 3.29Å; A90-Y92 PolarHBondContact O-N 2.97Å; A90-V93 PolarHBondContact O-N 3.05Å; A90-V93 VanDerWaalsContact O-N 3.12Å; A90-E94 PolarHBondContact O-N 3.03Å
91	H	97.8	Very high	95.6	Very high	9 Å²	9	69.9 Å²	69.9	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-28.1	176.8	-72.4	-50.8	0	0	0	113.8	Y67 W87 E94 A95 V111 F115	Y67-H91 AromaticContact CE1-CD2 3.97Å; Y67-H91 AromaticContact CE1-CE1 3.51Å; Y67-H91 AromaticContact CE1-ND1 3.91Å; Y67-H91 AromaticContact CE1-NE2 3.56Å; Y67-H91 AromaticContact CE2-CE1 3.57Å; Y67-H91 AromaticContact CE2-ND1 3.95Å; Y67-H91 AromaticContact CZ-CE1 3.21Å; Y67-H91 AromaticContact CZ-CG 4Å; Y67-H91 AromaticContact CZ-ND1 3.37Å; Y67-H91 AromaticContact CZ-NE2 3.77Å; Y67-H91 PolarHBondContact OH-CE1 3.36Å; Y67-H91 PolarHBondContact OH-N 2.84Å; Y67-H91 PolarHBondContact OH-ND1 2.9Å; W87-H91 AromaticContact CD1-CD2 3.95Å; W87-H91 AromaticContact CE2-CD2 3.7Å; W87-H91 AromaticContact CE2-NE2 3.47Å; W87-H91 AromaticContact CH2-NE2 3.98Å; W87-H91 AromaticContact CZ2-NE2 3.44Å; W87-H91 WeakPolarHBondContact CZ2-NE2 3.44Å; W87-H91 AromaticContact NE1-CD2 3.57Å; W87-H91 AromaticContact NE1-NE2 3.81Å; W87-H91 PolarHBondContact O-N 3.17Å; H91-E94 IonicContact ND1-OE2 3.7Å; H91-E94 PolarHBondContact ND1-OE2 2.9Å; H91-A95 WeakPolarHBondContact O-CB 3.43Å; H91-A95 PolarHBondContact O-N 3.35Å; H91-V111 HydrophobicContact CB-CG1 3.57Å; H91-F115 HydrophobicContact CB-CD2 4.26Å; H91-F115 VanDerWaalsContact CD2-CB 3.49Å; H91-F115 WeakPolarHBondContact CD2-CB 3.23Å; H91-F115 AromaticContact CD2-CG 3.89Å; H91-F115 AromaticContact CE1-CD1 3.84Å; H91-F115 AromaticContact CE1-CG 3.76Å; H91-F115 AromaticContact CG-CD2 3.9Å; H91-F115 AromaticContact ND1-CD2 3.87Å; H91-F115 AromaticContact ND1-CG 3.96Å; H91-F115 WeakPolarHBondContact NE2-CB 3.36Å; H91-F115 AromaticContact NE2-CG 3.7Å
92	Y	96.9	Very high	95.5	Very high	34 Å²	34	71.9 Å²	71.9	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-47.9	169.8	-62.9	-26.2	0	0	0	111.1	L88 K89 A90 E94 A95 E96 L103 K108 V111 R112	L88-Y92 HydrophobicContact CB-CE2 4.08Å; L88-Y92 WeakPolarHBondContact O-CD1 3.39Å; L88-Y92 WeakPolarHBondContact O-CD2 3.49Å; L88-Y92 PolarHBondContact O-N 2.99Å; K89-Y92 PolarHBondContact O-N 3.42Å; A90-Y92 VanDerWaalsContact C-N 3.29Å; A90-Y92 PolarHBondContact O-N 2.97Å; Y92-E94 PolarHBondContact O-N 3.2Å; Y92-A95 CarbonylContact O-C 3.6Å; Y92-A95 PolarHBondContact O-N 2.98Å; Y92-E96 WeakPolarHBondContact O-CB 3.22Å; Y92-E96 VanDerWaalsContact O-CG 3.28Å; Y92-E96 WeakPolarHBondContact O-CG 3.36Å; Y92-E96 PolarHBondContact O-N 3.44Å; Y92-L103 HydrophobicContact CD1-CD2 4.23Å; Y92-K108 HydrophobicContact CD1-CB 4.26Å; Y92-K108 HydrophobicContact CD1-CG 3.98Å; Y92-K108 HydrophobicContact CD2-CD 4.33Å; Y92-K108 HydrophobicContact CD2-CG 4.48Å; Y92-K108 HydrophobicContact CE1-CB 3.67Å; Y92-K108 HydrophobicContact CE1-CG 3.86Å; Y92-K108 HydrophobicContact CE2-CD 4.2Å; Y92-K108 HydrophobicContact CE2-CG 4.38Å; Y92-K108 HydrophobicContact CG-CG 4.32Å; Y92-V111 HydrophobicContact CD1-CB 4Å; Y92-V111 HydrophobicContact CD1-CG1 3.76Å; Y92-V111 HydrophobicContact CD1-CG2 4.39Å; Y92-V111 HydrophobicContact CE1-CB 4Å; Y92-V111 HydrophobicContact CE1-CG1 3.92Å; Y92-R112 WeakPolarHBondContact OH-CD 3.38Å; Y92-R112 PolarHBondContact OH-NE 2.94Å
93	V	96.1	Very high	95.5	Very high	61 Å²	61	67.2 Å²	67.2	37%	0.37	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-42.8	178.9	171.7	0	0	0	0	111.4	F63 K89 A90 E96 K97	F63-V93 HydrophobicContact CE2-CB 4.39Å; F63-V93 HydrophobicContact CE2-CG1 3.96Å; F63-V93 HydrophobicContact CZ-CB 4.12Å; F63-V93 HydrophobicContact CZ-CG1 3.81Å; K89-V93 WeakPolarHBondContact O-CG2 3.47Å; K89-V93 PolarHBondContact O-N 3.35Å; A90-V93 PolarHBondContact O-N 3.05Å; A90-V93 VanDerWaalsContact O-N 3.12Å; V93-E96 PolarHBondContact O-N 3.01Å; V93-K97 VanDerWaalsContact O-CB 3.3Å; V93-K97 WeakPolarHBondContact O-CB 3.32Å; V93-K97 PolarHBondContact O-N 3.4Å
94	E	96.1	Very high	95.4	Very high	70 Å²	70	69.5 Å²	69.5	33%	0.327	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-45.8	173.5	-69.6	-175.4	134.8	0	0	112	F63 Y67 A90 H91 Y92 K97 L98	F63-E94 HydrophobicContact CD2-CG 3.51Å; F63-E94 HydrophobicContact CE2-CG 3.97Å; F63-E94 HydrophobicContact CG-CG 4.34Å; Y67-E94 VanDerWaalsContact OH-CD 3.27Å; Y67-E94 PolarHBondContact OH-OE2 3.42Å; A90-E94 PolarHBondContact O-N 3.03Å; H91-E94 IonicContact ND1-OE2 3.7Å; H91-E94 PolarHBondContact ND1-OE2 2.9Å; Y92-E94 PolarHBondContact O-N 3.2Å; E94-K97 PolarHBondContact O-N 3.21Å; E94-L98 WeakPolarHBondContact O-CB 3.42Å; E94-L98 VanDerWaalsContact O-CG 3.32Å; E94-L98 WeakPolarHBondContact O-CG 3.27Å; E94-L98 PolarHBondContact O-N 3.38Å
95	A	95.7	Very high	95.3	Very high	19 Å²	19	71.3 Å²	71.3	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-70.1	-30.3	179.9	0	0	0	0	0	113.6	H91 Y92 R99 L103 V111	H91-A95 WeakPolarHBondContact O-CB 3.43Å; H91-A95 PolarHBondContact O-N 3.35Å; Y92-A95 CarbonylContact O-C 3.6Å; Y92-A95 PolarHBondContact O-N 2.98Å; A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 WeakPolarHBondContact O-CG 3.49Å; A95-R99 PolarHBondContact O-N 3.48Å; A95-L103 HydrophobicContact CB-CD1 4.15Å; A95-L103 HydrophobicContact CB-CD2 3.84Å; A95-V111 HydrophobicContact CB-CG2 3.62Å
96	E	95.9	Very high	95.1	Very high	56 Å²	56	71.2 Å²	71.2	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-70.6	-45.9	172.9	-73.9	178	153.5	0	0	110.2	Y92 V93 L98 R99 G100 R101 L103	Y92-E96 WeakPolarHBondContact O-CB 3.22Å; Y92-E96 VanDerWaalsContact O-CG 3.28Å; Y92-E96 WeakPolarHBondContact O-CG 3.36Å; Y92-E96 PolarHBondContact O-N 3.44Å; V93-E96 PolarHBondContact O-N 3.01Å; E96-L98 PolarHBondContact O-N 2.89Å; E96-R99 CarbonylContact O-C 3.6Å; E96-R99 PolarHBondContact O-N 3.19Å; E96-R99 VanDerWaalsContact O-N 3.09Å; E96-G100 PolarHBondContact O-N 3.22Å; E96-R101 PolarHBondContact O-N 3.48Å; E96-L103 HydrophobicContact CB-CD1 4.47Å; E96-L103 HydrophobicContact CG-CB 3.68Å; E96-L103 HydrophobicContact CG-CD1 3.65Å; E96-L103 HydrophobicContact CG-CG 4.13Å; E96-L103 WeakPolarHBondContact OE1-CB 3.07Å; E96-L103 PolarHBondContact OE1-N 3.18Å
97	K	94.4	Very high	95	Very high	181 Å²	181	71.6 Å²	71.6	79%	0.787	40%	0.398	S	S	*	.	H	α-helix	trans	-60.1	-44.3	176.2	-171.8	175.8	-178.2	179.9	0	112.2	V93 E94 R99 G100	V93-K97 VanDerWaalsContact O-CB 3.3Å; V93-K97 WeakPolarHBondContact O-CB 3.32Å; V93-K97 PolarHBondContact O-N 3.4Å; E94-K97 PolarHBondContact O-N 3.21Å; K97-R99 PolarHBondContact O-N 3.15Å; K97-G100 PolarHBondContact O-N 3.29Å
98	L	92.8	Very high	94.9	Very high	156 Å²	156	74.5 Å²	74.5	82%	0.817	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.8	175.9	-73.4	171.4	0	0	0	114.1	E94 E96	E94-L98 WeakPolarHBondContact O-CB 3.42Å; E94-L98 VanDerWaalsContact O-CG 3.32Å; E94-L98 WeakPolarHBondContact O-CG 3.27Å; E94-L98 PolarHBondContact O-N 3.38Å; E96-L98 PolarHBondContact O-N 2.89Å
99	R	92.8	Very high	94.7	Very high	144 Å²	144	76.7 Å²	76.7	54%	0.543	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-8	179.8	-75.7	-173.7	169.8	-78	-6.7	114.3	A95 E96 K97 R101	A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 WeakPolarHBondContact O-CG 3.49Å; A95-R99 PolarHBondContact O-N 3.48Å; E96-R99 CarbonylContact O-C 3.6Å; E96-R99 PolarHBondContact O-N 3.19Å; E96-R99 VanDerWaalsContact O-N 3.09Å; K97-R99 PolarHBondContact O-N 3.15Å; R99-R101 HydrophobicContact CB-CG 4.29Å; R99-R101 PolarHBondContact O-N 2.92Å; R99-R101 VanDerWaalsContact O-N 3.08Å
100	G	93	Very high	94.5	Very high	76 Å²	76	79.5 Å²	79.5	78%	0.784	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	11.9	-173.5	0	0	0	0	0	114.8	E96 K97	E96-G100 PolarHBondContact O-N 3.22Å; K97-G100 PolarHBondContact O-N 3.29Å
101	R	93.4	Very high	94.4	Very high	166 Å²	166	80.1 Å²	80.1	63%	0.626	43%	0.428	S	S	*	.	S	Bend	trans	-151.3	151.1	-176.5	71.6	-174.8	-174.4	-167.9	-0.8	113	E96 R99	E96-R101 PolarHBondContact O-N 3.48Å; R99-R101 HydrophobicContact CB-CG 4.29Å; R99-R101 PolarHBondContact O-N 2.92Å; R99-R101 VanDerWaalsContact O-N 3.08Å
102	P	92.4	Very high	94.2	Very high	114 Å²	114	84.7 Å²	84.7	74%	0.74	45%	0.445	S	S	*	.			trans	-56.8	146.9	178.8	-25.9	35.1	0	0	0	114	G104	P102-G104 PolarHBondContact O-N 2.97Å
103	L	94.1	Very high	93.9	Very high	12 Å²	12	91.4 Å²	91.4	6%	0.063	47%	0.47	C	S	.	.			trans	-87	108.3	-176.7	-117.2	67.8	0	0	0	111.2	Y92 A95 E96 K108 V111	Y92-L103 HydrophobicContact CD1-CD2 4.23Å; A95-L103 HydrophobicContact CB-CD1 4.15Å; A95-L103 HydrophobicContact CB-CD2 3.84Å; E96-L103 HydrophobicContact CB-CD1 4.47Å; E96-L103 HydrophobicContact CG-CB 3.68Å; E96-L103 HydrophobicContact CG-CD1 3.65Å; E96-L103 HydrophobicContact CG-CG 4.13Å; E96-L103 WeakPolarHBondContact OE1-CB 3.07Å; E96-L103 PolarHBondContact OE1-N 3.18Å; L103-K108 HydrophobicContact CB-CG 3.93Å; L103-K108 HydrophobicContact CD2-CG 4.2Å; L103-K108 WeakPolarHBondContact O-CE 3.23Å; L103-V111 HydrophobicContact CD2-CG2 3.62Å
104	G	94.9	Very high	93.8	Very high	49 Å²	49	95.8 Å²	95.8	51%	0.505	48%	0.484	S	S	.	.			trans	-64.1	170.2	166.9	0	0	0	0	0	113.1	P102 V106 G107 K108	P102-G104 PolarHBondContact O-N 2.97Å; G104-V106 VanDerWaalsContact C-N 3.32Å; G104-V106 PolarHBondContact O-N 3.08Å; G104-G107 WeakPolarHBondContact O-CA 3.14Å; G104-G107 PolarHBondContact O-N 2.86Å; G104-K108 PolarHBondContact O-N 2.73Å
105	A	93.8	Very high	93.7	Very high	83 Å²	83	95.8 Å²	95.8	69%	0.686	48%	0.483	S	S	*	.	H	α-helix	trans	-52.6	-43.8	-174.3	0	0	0	0	0	114	G107 K108 Y109	A105-G107 VanDerWaalsContact C-N 3.33Å; A105-G107 PolarHBondContact O-N 3.43Å; A105-K108 PolarHBondContact O-N 2.74Å; A105-Y109 PolarHBondContact O-N 3.18Å
106	V	91.9	Very high	93.5	Very high	97 Å²	97	98.9 Å²	98.9	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-35.7	176.8	-179.2	0	0	0	0	111.8	G104 Y109 R110	G104-V106 VanDerWaalsContact C-N 3.32Å; G104-V106 PolarHBondContact O-N 3.08Å; V106-Y109 PolarHBondContact O-N 3.49Å; V106-R110 WeakPolarHBondContact O-CG 3.44Å; V106-R110 PolarHBondContact O-N 3.39Å
107	G	94.9	Very high	93.4	Very high	21 Å²	21	98 Å²	98	22%	0.216	50%	0.498	C	S	.	.	H	α-helix	trans	-63.9	-48.9	174	0	0	0	0	0	111.6	G104 A105 Y109 R110 V111	G104-G107 WeakPolarHBondContact O-CA 3.14Å; G104-G107 PolarHBondContact O-N 2.86Å; A105-G107 VanDerWaalsContact C-N 3.33Å; A105-G107 PolarHBondContact O-N 3.43Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 2.95Å; G107-R110 PolarHBondContact O-N 2.98Å; G107-R110 VanDerWaalsContact O-N 3.13Å; G107-V111 WeakPolarHBondContact O-CG2 3.42Å; G107-V111 PolarHBondContact O-N 3.19Å
108	K	94.9	Very high	93.3	Very high	71 Å²	71	90.4 Å²	90.4	31%	0.309	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-31.1	176.1	-63.9	-175.8	173.6	164.6	0	112.9	Y92 L103 G104 A105 R112	Y92-K108 HydrophobicContact CD1-CB 4.26Å; Y92-K108 HydrophobicContact CD1-CG 3.98Å; Y92-K108 HydrophobicContact CD2-CD 4.33Å; Y92-K108 HydrophobicContact CD2-CG 4.48Å; Y92-K108 HydrophobicContact CE1-CB 3.67Å; Y92-K108 HydrophobicContact CE1-CG 3.86Å; Y92-K108 HydrophobicContact CE2-CD 4.2Å; Y92-K108 HydrophobicContact CE2-CG 4.38Å; Y92-K108 HydrophobicContact CG-CG 4.32Å; L103-K108 HydrophobicContact CB-CG 3.93Å; L103-K108 HydrophobicContact CD2-CG 4.2Å; L103-K108 WeakPolarHBondContact O-CE 3.23Å; G104-K108 PolarHBondContact O-N 2.73Å; A105-K108 PolarHBondContact O-N 2.74Å; K108-R112 WeakPolarHBondContact O-CG 3.49Å; K108-R112 PolarHBondContact O-N 3.16Å; K108-R112 PolarHBondContact O-NE 2.8Å
109	Y	92.5	Very high	93.1	Very high	85 Å²	85	90.6 Å²	90.6	33%	0.333	46%	0.458	S	S	.	.	H	α-helix	trans	-68.1	-46.1	170.7	173.4	-98.9	0	0	0	112.2	A105 V106 G107 V111 R112 R113 Y129	A105-Y109 PolarHBondContact O-N 3.18Å; V106-Y109 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 2.95Å; Y109-V111 VanDerWaalsContact C-N 3.33Å; Y109-V111 PolarHBondContact O-N 3.45Å; Y109-R112 PolarHBondContact O-N 3.36Å; Y109-R113 HydrophobicContact CE1-CG 4.35Å; Y109-R113 HydrophobicContact CE2-CG 4.28Å; Y109-R113 VanDerWaalsContact CZ-CD 3.44Å; Y109-R113 PolarHBondContact O-N 2.82Å; Y109-R113 VanDerWaalsContact O-N 3.08Å; Y109-R113 VanDerWaalsContact OH-CD 3.29Å; Y109-R113 WeakPolarHBondContact OH-CD 3.37Å; Y109-Y129 HydrophobicContact CE2-CD1 4.33Å; Y109-Y129 HydrophobicContact CE2-CG 4.49Å
110	R	93.9	Very high	93	Very high	165 Å²	165	84.6 Å²	84.6	62%	0.623	44%	0.437	S	S	*	.	H	α-helix	trans	-60.4	-40.9	176.8	-73.9	176	178.9	-166	-0.4	112.1	V106 G107 R113 K114	V106-R110 WeakPolarHBondContact O-CG 3.44Å; V106-R110 PolarHBondContact O-N 3.39Å; G107-R110 PolarHBondContact O-N 2.98Å; G107-R110 VanDerWaalsContact O-N 3.13Å; R110-R113 PolarHBondContact O-N 3Å; R110-K114 PolarHBondContact O-N 2.87Å
111	V	95	Very high	92.9	Very high	14 Å²	14	81 Å²	81	9%	0.085	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-51.1	175.2	172.2	0	0	0	0	111.1	H91 Y92 A95 L103 G107 Y109 R113 K114 F115	H91-V111 HydrophobicContact CB-CG1 3.57Å; Y92-V111 HydrophobicContact CD1-CB 4Å; Y92-V111 HydrophobicContact CD1-CG1 3.76Å; Y92-V111 HydrophobicContact CD1-CG2 4.39Å; Y92-V111 HydrophobicContact CE1-CB 4Å; Y92-V111 HydrophobicContact CE1-CG1 3.92Å; A95-V111 HydrophobicContact CB-CG2 3.62Å; L103-V111 HydrophobicContact CD2-CG2 3.62Å; G107-V111 WeakPolarHBondContact O-CG2 3.42Å; G107-V111 PolarHBondContact O-N 3.19Å; Y109-V111 VanDerWaalsContact C-N 3.33Å; Y109-V111 PolarHBondContact O-N 3.45Å; V111-R113 PolarHBondContact O-N 3.41Å; V111-R113 VanDerWaalsContact O-N 3.17Å; V111-K114 PolarHBondContact O-N 3Å; V111-F115 HydrophobicContact CG1-CD2 4.22Å; V111-F115 PolarHBondContact O-N 3.05Å
112	R	93.7	Very high	92.7	Very high	105 Å²	105	75.5 Å²	75.5	40%	0.396	38%	0.379	S	S	.	.	H	α-helix	trans	-55.3	-32.8	176.5	-83.5	179	-75.1	175.4	-2.8	114	L88 Y92 K108 Y109 F115	L88-R112 HydrophobicContact CD2-CG 3.52Å; Y92-R112 WeakPolarHBondContact OH-CD 3.38Å; Y92-R112 PolarHBondContact OH-NE 2.94Å; K108-R112 WeakPolarHBondContact O-CG 3.49Å; K108-R112 PolarHBondContact O-N 3.16Å; K108-R112 PolarHBondContact O-NE 2.8Å; Y109-R112 PolarHBondContact O-N 3.36Å; R112-F115 CarbonylContact O-C 3.54Å
113	R	90.9	Very high	91.9	Very high	174 Å²	174	75.6 Å²	75.6	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-81.2	-26	175.7	-76.7	-155.8	62.6	-179	-0.8	114.7	Y109 R110 V111	Y109-R113 HydrophobicContact CE1-CG 4.35Å; Y109-R113 HydrophobicContact CE2-CG 4.28Å; Y109-R113 VanDerWaalsContact CZ-CD 3.44Å; Y109-R113 PolarHBondContact O-N 2.82Å; Y109-R113 VanDerWaalsContact O-N 3.08Å; Y109-R113 VanDerWaalsContact OH-CD 3.29Å; Y109-R113 WeakPolarHBondContact OH-CD 3.37Å; R110-R113 PolarHBondContact O-N 3Å; V111-R113 PolarHBondContact O-N 3.41Å; V111-R113 VanDerWaalsContact O-N 3.17Å
114	K	93.3	Very high	90.7	Very high	153 Å²	153	75.8 Å²	75.8	67%	0.665	38%	0.378	S	S	*	.	H	α-helix	trans	-81	-34.6	175.8	-173.3	176	176.5	-175.8	0	111.6	R110 V111	R110-K114 PolarHBondContact O-N 2.87Å; V111-K114 PolarHBondContact O-N 3Å
115	F	93.7	Very high	89.3	Confident	71 Å²	71	80.9 Å²	80.9	31%	0.311	39%	0.389	S	S	.	.	S	Bend	trans	-128	77.7	-177.5	-53.2	-71.1	0	0	0	109.7	W87 H91 V111 R112	W87-F115 HydrophobicContact CZ2-CB 4.44Å; W87-F115 PolarHBondContact NE1-O 3.17Å; H91-F115 HydrophobicContact CB-CD2 4.26Å; H91-F115 VanDerWaalsContact CD2-CB 3.49Å; H91-F115 WeakPolarHBondContact CD2-CB 3.23Å; H91-F115 AromaticContact CD2-CG 3.89Å; H91-F115 AromaticContact CE1-CD1 3.84Å; H91-F115 AromaticContact CE1-CG 3.76Å; H91-F115 AromaticContact CG-CD2 3.9Å; H91-F115 AromaticContact ND1-CD2 3.87Å; H91-F115 AromaticContact ND1-CG 3.96Å; H91-F115 WeakPolarHBondContact NE2-CB 3.36Å; H91-F115 AromaticContact NE2-CG 3.7Å; V111-F115 HydrophobicContact CG1-CD2 4.22Å; V111-F115 PolarHBondContact O-N 3.05Å; R112-F115 CarbonylContact O-C 3.54Å
116	P	92	Very high	87.7	Confident	83 Å²	83	84.7 Å²	84.7	54%	0.539	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-61.8	162.2	175.9	29	-35.6	0	0	0	111.1	W87	W87-P116 WeakPolarHBondContact CZ2-O 3.44Å; W87-P116 PolarHBondContact NE1-O 2.99Å
117	L	92.3	Very high	86.2	Confident	37 Å²	37	84.2 Å²	84.2	19%	0.194	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-67.8	132.6	175.8	-65	170.6	0	0	0	110	Q84 W87 L88 I121 W122	Q84-L117 HydrophobicContact CB-CD1 4.27Å; Q84-L117 HydrophobicContact CB-CD2 3.92Å; Q84-L117 HydrophobicContact CG-CD1 3.78Å; Q84-L117 HydrophobicContact CG-CD2 3.9Å; Q84-L117 HydrophobicContact CG-CG 4.41Å; W87-L117 HydrophobicContact CB-CD2 4.33Å; W87-L117 HydrophobicContact CG-CD2 4.12Å; L88-L117 HydrophobicContact CD2-CD2 4.48Å; L88-L117 HydrophobicContact CG-CD2 4.29Å; L117-I121 HydrophobicContact CD2-CD1 4.37Å; L117-W122 HydrophobicContact CB-CB 3.92Å; L117-W122 HydrophobicContact CB-CD2 4.25Å; L117-W122 HydrophobicContact CB-CE3 4.23Å; L117-W122 HydrophobicContact CB-CG 4.16Å; L117-W122 HydrophobicContact CD1-CB 4.43Å; L117-W122 HydrophobicContact CD1-CG 4.24Å
118	P	92.6	Very high	84.7	Confident	23 Å²	23	87.3 Å²	87.3	15%	0.149	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-71.8	147.5	175.2	27.8	-31.2	0	0	0	111.1	E71 W87 T120 I121 W122	E71-P118 HydrophobicContact CG-CB 4.18Å; E71-P118 HydrophobicContact CG-CG 4.19Å; W87-P118 HydrophobicContact CD2-CG 4.48Å; W87-P118 HydrophobicContact CE3-CG 4.1Å; W87-P118 HydrophobicContact CH2-CG 4.17Å; W87-P118 HydrophobicContact CZ3-CG 3.95Å; P118-T120 WeakPolarHBondContact CB-OG1 3.17Å; P118-T120 PolarHBondContact O-N 2.62Å; P118-I121 HydrophobicContact CG-CD1 4.13Å; P118-I121 HydrophobicContact CG-CG1 3.99Å; P118-I121 WeakPolarHBondContact O-CG1 3.42Å; P118-I121 PolarHBondContact O-N 3.24Å; P118-W122 PolarHBondContact O-N 2.81Å
119	R	89.2	Confident	83.5	Confident	160 Å²	160	90.9 Å²	90.9	60%	0.604	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-58.8	-20	-176.5	-60.5	-71.3	-173.6	178.8	-2.4	113.7	Q74 I121 W122 G124	Q74-R119 PolarHBondContact NE2-O 3.34Å; Q74-R119 VanDerWaalsContact NE2-O 3.16Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 PolarHBondContact O-N 3.02Å; R119-W122 CarbonylContact C-O 3.58Å; R119-W122 WeakPolarHBondContact CA-O 3.49Å; R119-G124 PolarHBondContact NH1-O 2.77Å
120	T	91.3	Very high	82.7	Confident	18 Å²	18	90.3 Å²	90.3	11%	0.11	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-63.2	-26.8	173.2	41.1	0	0	0	0	114.6	L70 E71 H73 Q74 F75 P118	L70-T120 WeakPolarHBondContact O-CB 3.13Å; L70-T120 PolarHBondContact O-OG1 3.16Å; E71-T120 WeakPolarHBondContact O-CG2 3.4Å; H73-T120 WeakPolarHBondContact O-CB 3.35Å; H73-T120 VanDerWaalsContact O-CG2 3.26Å; H73-T120 WeakPolarHBondContact O-CG2 3.48Å; Q74-T120 PolarHBondContact NE2-O 3.42Å; Q74-T120 VanDerWaalsContact NE2-O 3.17Å; F75-T120 PolarHBondContact N-O 3.05Å; P118-T120 WeakPolarHBondContact CB-OG1 3.17Å; P118-T120 PolarHBondContact O-N 2.62Å
121	I	90.4	Very high	82.3	Confident	0 Å²	0	85 Å²	85	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-125.9	16.5	-179.9	67.3	176.1	0	0	0	112.6	L70 F75 H80 L83 Q84 W87 L117 P118 R119	L70-I121 HydrophobicContact CD1-CD1 4.24Å; L70-I121 HydrophobicContact CD2-CG2 4.26Å; F75-I121 HydrophobicContact CB-CG2 4.39Å; F75-I121 HydrophobicContact CD2-CG2 3.58Å; F75-I121 HydrophobicContact CE2-CG2 4.22Å; F75-I121 HydrophobicContact CG-CG2 4.23Å; H80-I121 WeakPolarHBondContact CB-O 3.46Å; H80-I121 VanDerWaalsContact CG-O 3.28Å; H80-I121 PolarHBondContact ND1-O 3.33Å; L83-I121 HydrophobicContact CB-CB 4.21Å; L83-I121 HydrophobicContact CB-CD1 4.26Å; L83-I121 HydrophobicContact CB-CG2 3.9Å; L83-I121 HydrophobicContact CD1-CG2 3.77Å; Q84-I121 HydrophobicContact CG-CD1 4.3Å; Q84-I121 HydrophobicContact CG-CG1 4.3Å; Q84-I121 WeakPolarHBondContact CG-O 3.37Å; Q84-I121 PolarHBondContact NE2-O 3.13Å; W87-I121 HydrophobicContact CB-CD1 4.18Å; L117-I121 HydrophobicContact CD2-CD1 4.37Å; P118-I121 HydrophobicContact CG-CD1 4.13Å; P118-I121 HydrophobicContact CG-CG1 3.99Å; P118-I121 WeakPolarHBondContact O-CG1 3.42Å; P118-I121 PolarHBondContact O-N 3.24Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 PolarHBondContact O-N 3.02Å
122	W	88.3	Confident	81.9	Confident	51 Å²	51	92.6 Å²	92.6	19%	0.193	44%	0.442	C	S	.	.			trans	-154.1	121.6	-177.2	-179.5	44	0	0	0	110.4	L117 P118 R119 G124 E125 E126	L117-W122 HydrophobicContact CB-CB 3.92Å; L117-W122 HydrophobicContact CB-CD2 4.25Å; L117-W122 HydrophobicContact CB-CE3 4.23Å; L117-W122 HydrophobicContact CB-CG 4.16Å; L117-W122 HydrophobicContact CD1-CB 4.43Å; L117-W122 HydrophobicContact CD1-CG 4.24Å; P118-W122 PolarHBondContact O-N 2.81Å; R119-W122 CarbonylContact C-O 3.58Å; R119-W122 WeakPolarHBondContact CA-O 3.49Å; W122-G124 PolarHBondContact O-N 3.34Å; W122-G124 VanDerWaalsContact O-N 3.1Å; W122-E125 VanDerWaalsContact CZ2-O 3.31Å; W122-E125 WeakPolarHBondContact CZ2-O 3.25Å; W122-E126 HydrophobicContact CH2-CB 4.44Å
123	D	76.6	Confident	81.7	Confident	116 Å²	116	92.3 Å²	92.3	62%	0.62	45%	0.445	S	S	*	.			trans	-48.2	-31	173.4	45.9	35.9	0	0	0	114.1	E125	D123-E125 PolarHBondContact OD1-N 2.97Å; D123-E125 VanDerWaalsContact OD1-N 3.16Å
124	G	68.4	Low	81.7	Confident	15 Å²	15	92.5 Å²	92.5	16%	0.155	45%	0.451	C	S	.	.			trans	101.7	12.5	175	0	0	0	0	0	115.9	R119 W122 E126	R119-G124 PolarHBondContact NH1-O 2.77Å; W122-G124 PolarHBondContact O-N 3.34Å; W122-G124 VanDerWaalsContact O-N 3.1Å; G124-E126 VanDerWaalsContact C-N 3.33Å; G124-E126 PolarHBondContact O-N 2.9Å
125	E	65.2	Low	81.7	Confident	156 Å²	156	85.9 Å²	85.9	73%	0.729	42%	0.424	S	S	*	.			trans	-65.4	88.1	175.6	-69.9	-155.4	153.4	0	0	111.3	W122 D123 T127	W122-E125 VanDerWaalsContact CZ2-O 3.31Å; W122-E125 WeakPolarHBondContact CZ2-O 3.25Å; D123-E125 PolarHBondContact OD1-N 2.97Å; D123-E125 VanDerWaalsContact OD1-N 3.16Å; E125-T127 PolarHBondContact O-N 3.46Å
126	E	60.6	Low	81.6	Confident	163 Å²	163	86.6 Å²	86.6	76%	0.762	42%	0.424	S	S	*	.			trans	-60.4	108.9	-174.5	-172.4	173.8	-159.9	0	0	111.5	W122 G124 S128	W122-E126 HydrophobicContact CH2-CB 4.44Å; G124-E126 VanDerWaalsContact C-N 3.33Å; G124-E126 PolarHBondContact O-N 2.9Å; E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.97Å
127	T	60.3	Low	81.7	Confident	88 Å²	88	83.7 Å²	83.7	54%	0.54	41%	0.409	S	S	.	.			trans	-65.6	91.6	169.2	-49.4	0	0	0	0	108.7	E125 Y129	E125-T127 PolarHBondContact O-N 3.46Å; T127-Y129 HydrophobicContact CG2-CE1 4.07Å; T127-Y129 HydrophobicContact CG2-CE2 4.32Å; T127-Y129 WeakPolarHBondContact O-CD2 3.49Å; T127-Y129 WeakPolarHBondContact O-CE2 3.29Å; T127-Y129 PolarHBondContact O-N 3.42Å
128	S	63.7	Low	81.9	Confident	86 Å²	86	84 Å²	84	60%	0.601	41%	0.413	S	S	*	.			trans	-66.5	101	178.3	-174	0	0	0	0	110.4	E126 C130	E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.97Å; S128-C130 PolarHBondContact O-N 3.2Å; S128-C130 PolarHBondContact OG-O 2.96Å
129	Y	68.9	Low	82	Confident	146 Å²	146	82.9 Å²	82.9	57%	0.573	41%	0.405	S	S	*	.			trans	-72.2	-1	173.3	-59.8	-81.4	0	0	0	113	Y109 T127	Y109-Y129 HydrophobicContact CE2-CD1 4.33Å; Y109-Y129 HydrophobicContact CE2-CG 4.49Å; T127-Y129 HydrophobicContact CG2-CE1 4.07Å; T127-Y129 HydrophobicContact CG2-CE2 4.32Å; T127-Y129 WeakPolarHBondContact O-CD2 3.49Å; T127-Y129 WeakPolarHBondContact O-CE2 3.29Å; T127-Y129 PolarHBondContact O-N 3.42Å
130	C	77.4	Confident	82.4	Confident	73 Å²	73	81.4 Å²	81.4	49%	0.493	40%	0.4	S	S	.	.	S	Bend	trans	-96.6	143.4	172.7	-71.6	0	0	0	0	110.1	S128	S128-C130 PolarHBondContact O-N 3.2Å; S128-C130 PolarHBondContact OG-O 2.96Å
131	F	85.1	Confident	82.6	Confident	53 Å²	53	86.6 Å²	86.6	23%	0.232	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-58.8	154.9	168.4	-50	-38.9	0	0	0	110.7	R136 L139 L163 Q167 W171	F131-R136 HydrophobicContact CB-CG 4.1Å; F131-R136 WeakPolarHBondContact O-CD 3.43Å; F131-R136 WeakPolarHBondContact O-CG 3.34Å; F131-L139 HydrophobicContact CD2-CD1 3.98Å; F131-L139 HydrophobicContact CE2-CD1 4.25Å; F131-L163 HydrophobicContact CB-CD1 4.32Å; F131-L163 HydrophobicContact CB-CD2 4.29Å; F131-L163 HydrophobicContact CD1-CD1 4.17Å; F131-L163 HydrophobicContact CD1-CD2 3.59Å; F131-L163 HydrophobicContact CD2-CD1 3.48Å; F131-L163 VanDerWaalsContact CD2-CD1 3.48Å; F131-L163 HydrophobicContact CD2-CD2 4.41Å; F131-L163 HydrophobicContact CE1-CD1 4.37Å; F131-L163 HydrophobicContact CE1-CD2 3.97Å; F131-L163 HydrophobicContact CE2-CD1 3.7Å; F131-L163 HydrophobicContact CG-CD1 3.74Å; F131-L163 HydrophobicContact CG-CD2 3.85Å; F131-L163 HydrophobicContact CG-CG 4.48Å; F131-L163 HydrophobicContact CZ-CD1 4.16Å; F131-Q167 HydrophobicContact CE1-CB 4.16Å; F131-Q167 HydrophobicContact CE1-CG 4.08Å; F131-Q167 HydrophobicContact CZ-CB 3.75Å; F131-Q167 HydrophobicContact CZ-CG 4.08Å; F131-W171 AromaticContact CD2-CD1 3.96Å; F131-W171 HydrophobicContact CE2-CB 4.11Å; F131-W171 AromaticContact CE2-CD1 3.68Å; F131-W171 HydrophobicContact CE2-CG 4.2Å
132	K	86.8	Confident	82.8	Confident	174 Å²	174	90.5 Å²	90.5	76%	0.757	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-55	147.7	175.4	-66.6	-178.9	177.1	-179.5	0	110.5	K134 S135 R136	K132-K134 VanDerWaalsContact C-N 3.25Å; K132-K134 PolarHBondContact O-N 3.1Å; K132-S135 WeakPolarHBondContact O-CB 3.25Å; K132-S135 PolarHBondContact O-N 3.42Å; K132-R136 PolarHBondContact O-N 3.32Å
133	E	89	Confident	83.2	Confident	98 Å²	98	89.6 Å²	89.6	46%	0.458	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-32.8	-173.1	-168.5	52.8	-135.5	0	0	112.7	S135 R136 G137 R140	E133-S135 PolarHBondContact O-N 2.94Å; E133-R136 CarbonylContact O-C 3.47Å; E133-R136 WeakPolarHBondContact O-CB 3.37Å; E133-R136 PolarHBondContact O-N 3.21Å; E133-R136 VanDerWaalsContact O-N 3.17Å; E133-R136 IonicContact OE1-NE 2.74Å; E133-R136 WeakPolarHBondContact OE2-CD 3.16Å; E133-R136 IonicContact OE2-CZ 3.25Å; E133-R136 IonicContact OE2-NE 3.26Å; E133-R136 PolarHBondContact OE2-NE 3.41Å; E133-R136 IonicContact OE2-NH2 3.3Å; E133-G137 PolarHBondContact O-N 3.2Å; E133-R140 IonicContact OE1-CZ 2.8Å; E133-R140 IonicContact OE1-NE 3.73Å; E133-R140 IonicContact OE1-NH2 3.85Å; E133-R140 PolarHBondContact OE1-NH2 3.4Å
134	K	91	Very high	84	Confident	179 Å²	179	89.4 Å²	89.4	78%	0.778	44%	0.438	S	S	*	.	H	α-helix	trans	-54.5	-52.2	169.8	-173.1	179.1	-178.4	-178.9	0	112.2	K132 R136 G137 V138	K132-K134 VanDerWaalsContact C-N 3.25Å; K132-K134 PolarHBondContact O-N 3.1Å; K134-R136 VanDerWaalsContact C-N 3.3Å; K134-R136 PolarHBondContact O-N 3.08Å; K134-G137 PolarHBondContact O-N 3.27Å; K134-V138 PolarHBondContact O-N 2.85Å
135	S	92.9	Very high	85.2	Confident	14 Å²	14	96 Å²	96	10%	0.098	46%	0.464	C	S	.	.	H	α-helix	trans	-62.5	-36.4	177.1	-48.5	0	0	0	0	111.8	K132 E133 L139 T161	K132-S135 WeakPolarHBondContact O-CB 3.25Å; K132-S135 PolarHBondContact O-N 3.42Å; E133-S135 PolarHBondContact O-N 2.94Å; S135-L139 WeakPolarHBondContact O-CD1 3.36Å; S135-L139 VanDerWaalsContact O-CG 3.26Å; S135-L139 WeakPolarHBondContact O-CG 3.31Å; S135-L139 PolarHBondContact O-N 3.09Å; S135-T161 PolarHBondContact OG-O 3.47Å
136	R	92.8	Very high	86.5	Confident	86 Å²	86	90.7 Å²	90.7	33%	0.325	44%	0.441	S	S	.	.	H	α-helix	trans	-68.9	-35.2	175.7	-68.9	166.2	49.1	105.7	-4	112.7	F131 K132 E133 K134 R140	F131-R136 HydrophobicContact CB-CG 4.1Å; F131-R136 WeakPolarHBondContact O-CD 3.43Å; F131-R136 WeakPolarHBondContact O-CG 3.34Å; K132-R136 PolarHBondContact O-N 3.32Å; E133-R136 CarbonylContact O-C 3.47Å; E133-R136 WeakPolarHBondContact O-CB 3.37Å; E133-R136 PolarHBondContact O-N 3.21Å; E133-R136 VanDerWaalsContact O-N 3.17Å; E133-R136 IonicContact OE1-NE 2.74Å; E133-R136 WeakPolarHBondContact OE2-CD 3.16Å; E133-R136 IonicContact OE2-CZ 3.25Å; E133-R136 IonicContact OE2-NE 3.26Å; E133-R136 PolarHBondContact OE2-NE 3.41Å; E133-R136 IonicContact OE2-NH2 3.3Å; K134-R136 VanDerWaalsContact C-N 3.3Å; K134-R136 PolarHBondContact O-N 3.08Å; R136-R140 WeakPolarHBondContact O-CB 3.38Å; R136-R140 VanDerWaalsContact O-CG 3.26Å; R136-R140 WeakPolarHBondContact O-CG 3.42Å; R136-R140 PolarHBondContact O-N 3.06Å; R136-R140 PolarHBondContact O-NE 3.24Å
137	G	94.1	Very high	88.2	Confident	22 Å²	22	85 Å²	85	23%	0.227	42%	0.418	C	S	.	.	H	α-helix	trans	-59.6	-58.4	175.2	0	0	0	0	0	111.1	E133 K134 L139 R140 E141	E133-G137 PolarHBondContact O-N 3.2Å; K134-G137 PolarHBondContact O-N 3.27Å; G137-L139 VanDerWaalsContact C-N 3.31Å; G137-L139 PolarHBondContact O-N 3.19Å; G137-R140 WeakPolarHBondContact O-CB 3.37Å; G137-R140 PolarHBondContact O-N 3.15Å; G137-E141 PolarHBondContact O-N 3.12Å
138	V	95.1	Very high	89.9	Confident	43 Å²	43	87.9 Å²	87.9	26%	0.261	42%	0.42	S	S	.	.	H	α-helix	trans	-54.1	-45.3	178.8	177.6	0	0	0	0	111.9	K134 R140 E141 W142 L157 T161	K134-V138 PolarHBondContact O-N 2.85Å; V138-R140 PolarHBondContact O-N 3.16Å; V138-E141 PolarHBondContact O-N 3.21Å; V138-W142 WeakPolarHBondContact O-CB 3.39Å; V138-W142 PolarHBondContact O-N 2.95Å; V138-L157 HydrophobicContact CG1-CD2 4.04Å; V138-T161 HydrophobicContact CB-CG2 3.82Å; V138-T161 HydrophobicContact CG1-CG2 3.76Å
139	L	96.1	Very high	91.4	Very high	0 Å²	0	84.2 Å²	84.2	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-65.7	-36.5	178	-68.2	170.2	0	0	0	112.9	F131 S135 G137 Y143 T161 L163 V168 W171 F172	F131-L139 HydrophobicContact CD2-CD1 3.98Å; F131-L139 HydrophobicContact CE2-CD1 4.25Å; S135-L139 WeakPolarHBondContact O-CD1 3.36Å; S135-L139 VanDerWaalsContact O-CG 3.26Å; S135-L139 WeakPolarHBondContact O-CG 3.31Å; S135-L139 PolarHBondContact O-N 3.09Å; G137-L139 VanDerWaalsContact C-N 3.31Å; G137-L139 PolarHBondContact O-N 3.19Å; L139-Y143 VanDerWaalsContact O-CB 3.28Å; L139-Y143 WeakPolarHBondContact O-CB 3.46Å; L139-Y143 PolarHBondContact O-N 3.1Å; L139-Y143 VanDerWaalsContact O-N 3.13Å; L139-T161 HydrophobicContact CD2-CG2 4.44Å; L139-T161 HydrophobicContact CG-CG2 4.19Å; L139-L163 HydrophobicContact CD1-CD1 3.84Å; L139-V168 HydrophobicContact CD2-CG1 4.09Å; L139-V168 HydrophobicContact CD2-CG2 4.42Å; L139-W171 VanDerWaalsContact C-CH2 3.49Å; L139-W171 HydrophobicContact CB-CD2 3.96Å; L139-W171 HydrophobicContact CB-CE3 3.96Å; L139-W171 HydrophobicContact CB-CH2 3.84Å; L139-W171 HydrophobicContact CB-CZ2 3.79Å; L139-W171 HydrophobicContact CB-CZ3 3.91Å; L139-W171 HydrophobicContact CD1-CB 4.42Å; L139-W171 HydrophobicContact CD1-CD2 3.94Å; L139-W171 HydrophobicContact CD1-CG 3.86Å; L139-W171 HydrophobicContact CD2-CE3 4.44Å; L139-W171 HydrophobicContact CG-CD2 4.41Å; L139-W171 WeakPolarHBondContact O-CH2 3.47Å; L139-W171 WeakPolarHBondContact O-CZ3 3.45Å; L139-F172 HydrophobicContact CD2-CD2 4.44Å; L139-F172 HydrophobicContact CD2-CE2 3.68Å; L139-F172 HydrophobicContact CD2-CZ 4.49Å
140	R	95.6	Very high	92.8	Very high	128 Å²	128	79.3 Å²	79.3	48%	0.483	38%	0.381	S	S	.	.	H	α-helix	trans	-68.8	-44.9	176.6	-77.7	-173.5	-67.9	132.7	-11.7	111.8	E133 R136 G137 V138 Y143 T144 W171	E133-R140 IonicContact OE1-CZ 2.8Å; E133-R140 IonicContact OE1-NE 3.73Å; E133-R140 IonicContact OE1-NH2 3.85Å; E133-R140 PolarHBondContact OE1-NH2 3.4Å; R136-R140 WeakPolarHBondContact O-CB 3.38Å; R136-R140 VanDerWaalsContact O-CG 3.26Å; R136-R140 WeakPolarHBondContact O-CG 3.42Å; R136-R140 PolarHBondContact O-N 3.06Å; R136-R140 PolarHBondContact O-NE 3.24Å; G137-R140 WeakPolarHBondContact O-CB 3.37Å; G137-R140 PolarHBondContact O-N 3.15Å; V138-R140 PolarHBondContact O-N 3.16Å; R140-Y143 PolarHBondContact O-N 3.12Å; R140-T144 PolarHBondContact O-N 2.83Å; R140-W171 HydrophobicContact CG-CH2 4.32Å; R140-W171 HydrophobicContact CG-CZ2 4.05Å
141	E	96.1	Very high	93.7	Very high	127 Å²	127	80.9 Å²	80.9	59%	0.593	39%	0.39	S	S	*	.	H	α-helix	trans	-64.4	-42.8	177.8	-179.7	175.2	-156.9	0	0	111.9	G137 V138 Y143 T144 H145	G137-E141 PolarHBondContact O-N 3.12Å; V138-E141 PolarHBondContact O-N 3.21Å; E141-Y143 VanDerWaalsContact C-N 3.3Å; E141-Y143 PolarHBondContact O-N 3.05Å; E141-T144 PolarHBondContact O-N 2.94Å; E141-T144 PolarHBondContact O-OG1 3.29Å; E141-H145 PolarHBondContact O-ND1 3.06Å
142	W	95.3	Very high	94.2	Very high	83 Å²	83	86.4 Å²	86.4	31%	0.314	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-40.2	173.8	-163.7	-77.9	0	0	0	111.8	V138 T144 H145 N146 E153 L157 F172	V138-W142 WeakPolarHBondContact O-CB 3.39Å; V138-W142 PolarHBondContact O-N 2.95Å; W142-T144 VanDerWaalsContact C-N 3.32Å; W142-T144 PolarHBondContact O-N 3.23Å; W142-H145 PolarHBondContact O-N 2.99Å; W142-H145 VanDerWaalsContact O-N 3.09Å; W142-N146 PolarHBondContact O-N 3.26Å; W142-E153 HydrophobicContact CZ2-CB 4.02Å; W142-E153 HydrophobicContact CZ2-CG 3.86Å; W142-E153 WeakPolarHBondContact CZ2-OE1 3.5Å; W142-L157 HydrophobicContact CB-CD2 4.01Å; W142-L157 HydrophobicContact CD2-CD1 4.03Å; W142-L157 HydrophobicContact CD2-CD2 3.82Å; W142-L157 HydrophobicContact CD2-CG 4.18Å; W142-L157 HydrophobicContact CE3-CD2 3.83Å; W142-L157 HydrophobicContact CE3-CG 4.4Å; W142-L157 HydrophobicContact CG-CD1 3.91Å; W142-L157 HydrophobicContact CG-CD2 3.91Å; W142-L157 HydrophobicContact CG-CG 4.4Å; W142-F172 HydrophobicContact CB-CZ 4.22Å; W142-F172 AromaticContact CD1-CZ 3.75Å; W142-F172 HydrophobicContact CG-CZ 4.23Å
143	Y	96.1	Very high	94.7	Very high	31 Å²	31	80.2 Å²	80.2	12%	0.122	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-31.5	-177	-172.7	-92.7	0	0	0	114.1	L139 R140 E141 H145 P147 W171 F172 R175 R176 D179	L139-Y143 VanDerWaalsContact O-CB 3.28Å; L139-Y143 WeakPolarHBondContact O-CB 3.46Å; L139-Y143 PolarHBondContact O-N 3.1Å; L139-Y143 VanDerWaalsContact O-N 3.13Å; R140-Y143 PolarHBondContact O-N 3.12Å; E141-Y143 VanDerWaalsContact C-N 3.3Å; E141-Y143 PolarHBondContact O-N 3.05Å; Y143-H145 VanDerWaalsContact C-N 3.25Å; Y143-H145 PolarHBondContact O-N 3Å; Y143-P147 HydrophobicContact CD2-CB 3.9Å; Y143-P147 HydrophobicContact CE1-CB 4.41Å; Y143-P147 HydrophobicContact CE2-CB 3.52Å; Y143-P147 HydrophobicContact CG-CB 4.48Å; Y143-W171 AromaticContact CD2-CZ3 3.99Å; Y143-W171 HydrophobicContact CD2-CZ3 3.99Å; Y143-W171 HydrophobicContact CG-CH2 4.37Å; Y143-W171 HydrophobicContact CG-CZ3 4.21Å; Y143-F172 AromaticContact CD2-CD1 3.67Å; Y143-F172 HydrophobicContact CD2-CD1 3.67Å; Y143-F172 AromaticContact CD2-CE1 3.79Å; Y143-F172 HydrophobicContact CD2-CE1 3.79Å; Y143-F172 HydrophobicContact CE2-CD1 4.31Å; Y143-F172 HydrophobicContact CG-CE1 4.49Å; Y143-R175 HydrophobicContact CD1-CG 3.99Å; Y143-R175 HydrophobicContact CD2-CB 4.37Å; Y143-R175 HydrophobicContact CD2-CG 3.84Å; Y143-R175 HydrophobicContact CE1-CG 3.63Å; Y143-R175 HydrophobicContact CE2-CB 3.95Å; Y143-R175 HydrophobicContact CE2-CG 3.49Å; Y143-R175 VanDerWaalsContact CE2-CG 3.49Å; Y143-R175 HydrophobicContact CG-CG 4.08Å; Y143-R176 HydrophobicContact CE2-CG 3.75Å; Y143-R176 WeakPolarHBondContact OH-CA 3.25Å; Y143-R176 WeakPolarHBondContact OH-CG 3.42Å; Y143-R176 PolarHBondContact OH-N 2.91Å; Y143-D179 WeakPolarHBondContact CE1-OD2 3.15Å; Y143-D179 VanDerWaalsContact CZ-OD2 3.24Å; Y143-D179 PolarHBondContact OH-OD2 3.18Å
144	T	94.6	Very high	95.1	Very high	113 Å²	113	78.4 Å²	78.4	69%	0.693	37%	0.374	S	S	*	.	H	α-helix	trans	-70	-24.1	175.4	52.9	0	0	0	0	112.8	R140 E141 W142	R140-T144 PolarHBondContact O-N 2.83Å; E141-T144 PolarHBondContact O-N 2.94Å; E141-T144 PolarHBondContact O-OG1 3.29Å; W142-T144 VanDerWaalsContact C-N 3.32Å; W142-T144 PolarHBondContact O-N 3.23Å
145	H	93.3	Very high	95.4	Very high	152 Å²	152	76.3 Å²	76.3	70%	0.704	36%	0.361	S	S	*	.	H	α-helix	trans	-91.9	-49	177.2	-62.6	92.9	0	0	0	112.1	E141 W142 Y143	E141-H145 PolarHBondContact O-ND1 3.06Å; W142-H145 PolarHBondContact O-N 2.99Å; W142-H145 VanDerWaalsContact O-N 3.09Å; Y143-H145 VanDerWaalsContact C-N 3.25Å; Y143-H145 PolarHBondContact O-N 3Å
146	N	92.9	Very high	95.5	Very high	46 Å²	46	79 Å²	79	25%	0.246	37%	0.373	C	S	.	.			trans	-140.1	102.2	-179.8	-178.2	6	0	0	0	111.4	W142 Y148 E153	W142-N146 PolarHBondContact O-N 3.26Å; N146-Y148 PolarHBondContact O-N 3.47Å; N146-Y148 VanDerWaalsContact OD1-C 3.24Å; N146-Y148 WeakPolarHBondContact OD1-CA 3.17Å; N146-Y148 PolarHBondContact OD1-N 2.63Å; N146-Y148 PolarHBondContact OD1-O 2.91Å; N146-E153 PolarHBondContact ND2-OE1 3.1Å
147	P	94.9	Very high	95.7	Very high	44 Å²	44	75.1 Å²	75.1	29%	0.286	36%	0.358	S	S	.	.	S	Bend	trans	-75.8	-4.1	176.1	28.2	-31.7	0	0	0	114.1	Y143 R176	Y143-P147 HydrophobicContact CD2-CB 3.9Å; Y143-P147 HydrophobicContact CE1-CB 4.41Å; Y143-P147 HydrophobicContact CE2-CB 3.52Å; Y143-P147 HydrophobicContact CG-CB 4.48Å; P147-R176 WeakPolarHBondContact O-CD 3.4Å; P147-R176 PolarHBondContact O-NH1 3.01Å
148	Y	96.8	Very high	95.8	Very high	148 Å²	148	74.5 Å²	74.5	58%	0.58	35%	0.351	S	S	*	.	S	Bend	trans	-128.8	66.1	-179.3	-64.9	-89.2	0	0	0	112.6	N146 R176	N146-Y148 PolarHBondContact O-N 3.47Å; N146-Y148 VanDerWaalsContact OD1-C 3.24Å; N146-Y148 WeakPolarHBondContact OD1-CA 3.17Å; N146-Y148 PolarHBondContact OD1-N 2.63Å; N146-Y148 PolarHBondContact OD1-O 2.91Å; Y148-R176 VanDerWaalsContact CE1-CD 3.44Å
149	P	95.7	Very high	95.9	Very high	8 Å²	8	79 Å²	79	5%	0.052	37%	0.369	C	S	.	.			trans	-64	138.1	178.2	27.3	-35.8	0	0	0	112.3	E153 K154 L157 F172	P149-E153 HydrophobicContact CB-CB 3.83Å; P149-K154 HydrophobicContact CB-CG 4.14Å; P149-K154 HydrophobicContact CG-CG 4.04Å; P149-K154 VanDerWaalsContact O-CE 3.24Å; P149-K154 WeakPolarHBondContact O-CE 3.17Å; P149-L157 HydrophobicContact CB-CD1 4.23Å; P149-L157 HydrophobicContact CG-CD1 4.39Å; P149-F172 VanDerWaalsContact CD-CD1 3.46Å; P149-F172 HydrophobicContact CG-CD1 3.77Å; P149-F172 HydrophobicContact CG-CD2 4.01Å; P149-F172 HydrophobicContact CG-CE1 3.75Å; P149-F172 HydrophobicContact CG-CE2 3.99Å; P149-F172 HydrophobicContact CG-CG 3.92Å; P149-F172 HydrophobicContact CG-CZ 3.87Å
150	S	97.1	Very high	95.8	Very high	43 Å²	43	82.3 Å²	82.3	30%	0.301	40%	0.396	S	S	.	.			trans	-64.8	168.3	174.3	70.2	0	0	0	0	112.6	R152 E153 K154	S150-R152 PolarHBondContact O-N 2.87Å; S150-E153 WeakPolarHBondContact CA-OE2 3Å; S150-E153 WeakPolarHBondContact CB-OE2 3.44Å; S150-E153 PolarHBondContact N-OE2 2.82Å; S150-E153 PolarHBondContact O-N 3.16Å; S150-E153 PolarHBondContact OG-N 3.31Å; S150-E153 PolarHBondContact OG-OE2 3.11Å; S150-K154 WeakPolarHBondContact O-CB 3.41Å; S150-K154 WeakPolarHBondContact O-CD 3.34Å; S150-K154 VanDerWaalsContact O-CG 3.25Å; S150-K154 WeakPolarHBondContact O-CG 3.45Å; S150-K154 PolarHBondContact O-N 2.96Å
151	P	96.4	Very high	95.7	Very high	106 Å²	106	76.8 Å²	76.8	69%	0.688	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.4	175.2	-25.8	36.1	0	0	0	114.2
152	R	96.6	Very high	95.6	Very high	170 Å²	170	74.2 Å²	74.2	64%	0.642	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-54.5	176.5	177.8	-179.4	165	176.2	-3.9	111.3	S150 K154 R155 E156	S150-R152 PolarHBondContact O-N 2.87Å; R152-K154 PolarHBondContact O-N 3.49Å; R152-R155 WeakPolarHBondContact O-CA 3.43Å; R152-R155 VanDerWaalsContact O-CB 3.32Å; R152-R155 WeakPolarHBondContact O-CB 3.28Å; R152-R155 PolarHBondContact O-N 2.61Å; R152-E156 IonicContact CZ-OE1 3.35Å; R152-E156 IonicContact NE-OE1 2.74Å; R152-E156 PolarHBondContact NE-OE1 3.08Å; R152-E156 IonicContact NH2-OE1 3.04Å; R152-E156 PolarHBondContact NH2-OE1 3.41Å; R152-E156 PolarHBondContact O-N 2.9Å; R152-E156 VanDerWaalsContact O-N 3.1Å
153	E	96.3	Very high	95.6	Very high	44 Å²	44	71.4 Å²	71.4	21%	0.206	38%	0.375	C	S	.	.	H	α-helix	trans	-57.8	-35.1	178.3	-68.1	159.2	97	0	0	111.4	W142 N146 P149 S150 R155 E156 L157	W142-E153 HydrophobicContact CZ2-CB 4.02Å; W142-E153 HydrophobicContact CZ2-CG 3.86Å; W142-E153 WeakPolarHBondContact CZ2-OE1 3.5Å; N146-E153 PolarHBondContact ND2-OE1 3.1Å; P149-E153 HydrophobicContact CB-CB 3.83Å; S150-E153 WeakPolarHBondContact CA-OE2 3Å; S150-E153 WeakPolarHBondContact CB-OE2 3.44Å; S150-E153 PolarHBondContact N-OE2 2.82Å; S150-E153 PolarHBondContact O-N 3.16Å; S150-E153 PolarHBondContact OG-N 3.31Å; S150-E153 PolarHBondContact OG-OE2 3.11Å; E153-R155 VanDerWaalsContact C-N 3.27Å; E153-R155 PolarHBondContact O-N 2.86Å; E153-E156 PolarHBondContact O-N 3.47Å; E153-L157 VanDerWaalsContact O-CB 3.3Å; E153-L157 WeakPolarHBondContact O-CB 3.26Å; E153-L157 VanDerWaalsContact O-CG 3.28Å; E153-L157 WeakPolarHBondContact O-CG 3.41Å; E153-L157 PolarHBondContact O-N 3.35Å
154	K	96.9	Very high	95.6	Very high	59 Å²	59	73.4 Å²	73.4	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-28.1	173	-75.8	168.8	171.7	-172.8	0	114.2	P149 S150 R152 A158 V168 S169	P149-K154 HydrophobicContact CB-CG 4.14Å; P149-K154 HydrophobicContact CG-CG 4.04Å; P149-K154 VanDerWaalsContact O-CE 3.24Å; P149-K154 WeakPolarHBondContact O-CE 3.17Å; S150-K154 WeakPolarHBondContact O-CB 3.41Å; S150-K154 WeakPolarHBondContact O-CD 3.34Å; S150-K154 VanDerWaalsContact O-CG 3.25Å; S150-K154 WeakPolarHBondContact O-CG 3.45Å; S150-K154 PolarHBondContact O-N 2.96Å; R152-K154 PolarHBondContact O-N 3.49Å; K154-A158 VanDerWaalsContact O-CB 3.26Å; K154-A158 WeakPolarHBondContact O-CB 3.49Å; K154-A158 PolarHBondContact O-N 2.73Å; K154-A158 VanDerWaalsContact O-N 3.12Å; K154-V168 HydrophobicContact CG-CG1 4.45Å; K154-S169 WeakPolarHBondContact CD-OG 3.26Å; K154-S169 WeakPolarHBondContact CE-OG 3.41Å; K154-S169 PolarHBondContact NZ-OG 3.46Å
155	R	96.9	Very high	95.7	Very high	135 Å²	135	71.1 Å²	71.1	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-78	-45.7	175.1	-167	-173.1	-65.1	110.9	-1.8	110.3	R152 E153 L157 A158 E159 T165	R152-R155 WeakPolarHBondContact O-CA 3.43Å; R152-R155 VanDerWaalsContact O-CB 3.32Å; R152-R155 WeakPolarHBondContact O-CB 3.28Å; R152-R155 PolarHBondContact O-N 2.61Å; E153-R155 VanDerWaalsContact C-N 3.27Å; E153-R155 PolarHBondContact O-N 2.86Å; R155-L157 VanDerWaalsContact C-N 3.31Å; R155-L157 PolarHBondContact O-N 3.29Å; R155-A158 WeakPolarHBondContact O-CB 3.39Å; R155-A158 PolarHBondContact O-N 3.31Å; R155-E159 WeakPolarHBondContact CG-OE1 3.22Å; R155-E159 WeakPolarHBondContact O-CG 3.34Å; R155-E159 PolarHBondContact O-N 3.28Å; R155-T165 HydrophobicContact CB-CG2 4.43Å; R155-T165 HydrophobicContact CG-CG2 4.49Å
156	E	96.7	Very high	95.8	Very high	72 Å²	72	68 Å²	68	34%	0.336	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-42.1	174.6	-65.3	164.9	173.2	0	0	111	R152 E153 E159 A160	R152-E156 IonicContact CZ-OE1 3.35Å; R152-E156 IonicContact NE-OE1 2.74Å; R152-E156 PolarHBondContact NE-OE1 3.08Å; R152-E156 IonicContact NH2-OE1 3.04Å; R152-E156 PolarHBondContact NH2-OE1 3.41Å; R152-E156 PolarHBondContact O-N 2.9Å; R152-E156 VanDerWaalsContact O-N 3.1Å; E153-E156 PolarHBondContact O-N 3.47Å; E156-E159 PolarHBondContact O-N 3.44Å; E156-A160 VanDerWaalsContact O-CB 3.3Å; E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 3.22Å
157	L	96.1	Very high	95.9	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-37.3	172.2	-76.3	166.9	0	0	0	113.4	V138 W142 P149 E153 R155 T161 V168 F172	V138-L157 HydrophobicContact CG1-CD2 4.04Å; W142-L157 HydrophobicContact CB-CD2 4.01Å; W142-L157 HydrophobicContact CD2-CD1 4.03Å; W142-L157 HydrophobicContact CD2-CD2 3.82Å; W142-L157 HydrophobicContact CD2-CG 4.18Å; W142-L157 HydrophobicContact CE3-CD2 3.83Å; W142-L157 HydrophobicContact CE3-CG 4.4Å; W142-L157 HydrophobicContact CG-CD1 3.91Å; W142-L157 HydrophobicContact CG-CD2 3.91Å; W142-L157 HydrophobicContact CG-CG 4.4Å; P149-L157 HydrophobicContact CB-CD1 4.23Å; P149-L157 HydrophobicContact CG-CD1 4.39Å; E153-L157 VanDerWaalsContact O-CB 3.3Å; E153-L157 WeakPolarHBondContact O-CB 3.26Å; E153-L157 VanDerWaalsContact O-CG 3.28Å; E153-L157 WeakPolarHBondContact O-CG 3.41Å; E153-L157 PolarHBondContact O-N 3.35Å; R155-L157 VanDerWaalsContact C-N 3.31Å; R155-L157 PolarHBondContact O-N 3.29Å; L157-T161 VanDerWaalsContact O-CB 3.31Å; L157-T161 WeakPolarHBondContact O-CB 3.49Å; L157-T161 VanDerWaalsContact O-CG2 3.32Å; L157-T161 WeakPolarHBondContact O-CG2 2.92Å; L157-T161 PolarHBondContact O-N 3.04Å; L157-T161 PolarHBondContact O-OG1 3.49Å; L157-V168 HydrophobicContact CB-CG1 4.02Å; L157-V168 HydrophobicContact CD1-CG1 4.26Å; L157-F172 HydrophobicContact CD1-CE2 3.81Å; L157-F172 HydrophobicContact CD1-CZ 3.91Å
158	A	96.8	Very high	96	Very high	9 Å²	9	67.4 Å²	67.4	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-47.8	176.3	0	0	0	0	0	110.7	K154 R155 T161 G162 L163 T165 V168	K154-A158 VanDerWaalsContact O-CB 3.26Å; K154-A158 WeakPolarHBondContact O-CB 3.49Å; K154-A158 PolarHBondContact O-N 2.73Å; K154-A158 VanDerWaalsContact O-N 3.12Å; R155-A158 WeakPolarHBondContact O-CB 3.39Å; R155-A158 PolarHBondContact O-N 3.31Å; A158-T161 PolarHBondContact O-N 2.69Å; A158-G162 PolarHBondContact O-N 2.88Å; A158-L163 CarbonylContact C-O 3.59Å; A158-L163 VanDerWaalsContact CA-O 3.3Å; A158-L163 WeakPolarHBondContact CA-O 3.47Å; A158-L163 WeakPolarHBondContact CB-O 3.44Å; A158-L163 PolarHBondContact O-N 2.72Å; A158-L163 VanDerWaalsContact O-N 3.09Å; A158-T165 HydrophobicContact CB-CG2 3.73Å; A158-V168 HydrophobicContact CB-CG2 4.21Å
159	E	96.2	Very high	96	Very high	139 Å²	139	62.1 Å²	62.1	65%	0.65	35%	0.345	S	S	*	.	H	α-helix	trans	-60.1	-51.4	174.9	-70.2	163.2	-164	0	0	111.5	R155 E156 T161 G162	R155-E159 WeakPolarHBondContact CG-OE1 3.22Å; R155-E159 WeakPolarHBondContact O-CG 3.34Å; R155-E159 PolarHBondContact O-N 3.28Å; E156-E159 PolarHBondContact O-N 3.44Å; E159-T161 VanDerWaalsContact C-N 3.3Å; E159-T161 PolarHBondContact O-N 2.81Å; E159-G162 PolarHBondContact O-N 3.32Å
160	A	94.5	Very high	96	Very high	69 Å²	69	65.3 Å²	65.3	57%	0.57	36%	0.362	S	S	*	.	H	α-helix	trans	-64.6	-28.8	-179.2	0	0	0	0	0	114.3	E156	E156-A160 VanDerWaalsContact O-CB 3.3Å; E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 3.22Å
161	T	94.3	Very high	95.9	Very high	12 Å²	12	65.4 Å²	65.4	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-99.8	-9.3	-177.7	61.8	0	0	0	0	115	S135 V138 L139 L157 A158 E159 L163	S135-T161 PolarHBondContact OG-O 3.47Å; V138-T161 HydrophobicContact CB-CG2 3.82Å; V138-T161 HydrophobicContact CG1-CG2 3.76Å; L139-T161 HydrophobicContact CD2-CG2 4.44Å; L139-T161 HydrophobicContact CG-CG2 4.19Å; L157-T161 VanDerWaalsContact O-CB 3.31Å; L157-T161 WeakPolarHBondContact O-CB 3.49Å; L157-T161 VanDerWaalsContact O-CG2 3.32Å; L157-T161 WeakPolarHBondContact O-CG2 2.92Å; L157-T161 PolarHBondContact O-N 3.04Å; L157-T161 PolarHBondContact O-OG1 3.49Å; A158-T161 PolarHBondContact O-N 2.69Å; E159-T161 VanDerWaalsContact C-N 3.3Å; E159-T161 PolarHBondContact O-N 2.81Å; T161-L163 VanDerWaalsContact C-N 3.26Å; T161-L163 WeakPolarHBondContact OG1-CB 3.35Å; T161-L163 WeakPolarHBondContact OG1-CG 3.41Å
162	G	94.3	Very high	96	Very high	72 Å²	72	60.4 Å²	60.4	74%	0.742	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	26.3	-172	0	0	0	0	0	113.4	A158 E159	A158-G162 PolarHBondContact O-N 2.88Å; E159-G162 PolarHBondContact O-N 3.32Å
163	L	94.8	Very high	95.9	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	32%	0.315	C	S	.	.			trans	-110.5	159.7	-179.1	-61.1	177.7	0	0	0	110.5	F131 L139 A158 T161 Q167 V168	F131-L163 HydrophobicContact CB-CD1 4.32Å; F131-L163 HydrophobicContact CB-CD2 4.29Å; F131-L163 HydrophobicContact CD1-CD1 4.17Å; F131-L163 HydrophobicContact CD1-CD2 3.59Å; F131-L163 HydrophobicContact CD2-CD1 3.48Å; F131-L163 VanDerWaalsContact CD2-CD1 3.48Å; F131-L163 HydrophobicContact CD2-CD2 4.41Å; F131-L163 HydrophobicContact CE1-CD1 4.37Å; F131-L163 HydrophobicContact CE1-CD2 3.97Å; F131-L163 HydrophobicContact CE2-CD1 3.7Å; F131-L163 HydrophobicContact CG-CD1 3.74Å; F131-L163 HydrophobicContact CG-CD2 3.85Å; F131-L163 HydrophobicContact CG-CG 4.48Å; F131-L163 HydrophobicContact CZ-CD1 4.16Å; L139-L163 HydrophobicContact CD1-CD1 3.84Å; A158-L163 CarbonylContact C-O 3.59Å; A158-L163 VanDerWaalsContact CA-O 3.3Å; A158-L163 WeakPolarHBondContact CA-O 3.47Å; A158-L163 WeakPolarHBondContact CB-O 3.44Å; A158-L163 PolarHBondContact O-N 2.72Å; A158-L163 VanDerWaalsContact O-N 3.09Å; T161-L163 VanDerWaalsContact C-N 3.26Å; T161-L163 WeakPolarHBondContact OG1-CB 3.35Å; T161-L163 WeakPolarHBondContact OG1-CG 3.41Å; L163-Q167 HydrophobicContact CB-CB 4.29Å; L163-V168 HydrophobicContact CB-CG2 4.09Å
164	T	95.8	Very high	95.9	Very high	73 Å²	73	59.5 Å²	59.5	45%	0.448	33%	0.327	S	S	.	.			trans	-72.6	149.7	170	61.7	0	0	0	0	111.5	T166 Q167 V168	T164-T166 PolarHBondContact O-N 3.1Å; T164-T166 VanDerWaalsContact O-N 3.13Å; T164-Q167 WeakPolarHBondContact O-CA 3.42Å; T164-Q167 WeakPolarHBondContact O-CB 3.49Å; T164-Q167 PolarHBondContact O-N 2.91Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.47Å; T164-Q167 VanDerWaalsContact OG1-CD 3.27Å; T164-Q167 VanDerWaalsContact OG1-CG 3.25Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.35Å; T164-Q167 PolarHBondContact OG1-N 2.91Å; T164-Q167 VanDerWaalsContact OG1-N 3.17Å; T164-Q167 PolarHBondContact OG1-OE1 3.07Å; T164-V168 PolarHBondContact O-N 3.38Å
165	T	96.1	Very high	95.8	Very high	64 Å²	64	60.2 Å²	60.2	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-55.2	-30.4	173.9	52.3	0	0	0	0	113	R155 A158 S169	R155-T165 HydrophobicContact CB-CG2 4.43Å; R155-T165 HydrophobicContact CG-CG2 4.49Å; A158-T165 HydrophobicContact CB-CG2 3.73Å; T165-S169 VanDerWaalsContact O-CB 3.28Å; T165-S169 WeakPolarHBondContact O-CB 3.5Å; T165-S169 PolarHBondContact O-N 3.3Å; T165-S169 PolarHBondContact O-OG 2.9Å
166	T	96.4	Very high	95.8	Very high	87 Å²	87	56.3 Å²	56.3	53%	0.534	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-44.9	172.2	-57.7	0	0	0	0	112.2	T164 S169 N170	T164-T166 PolarHBondContact O-N 3.1Å; T164-T166 VanDerWaalsContact O-N 3.13Å; T166-S169 PolarHBondContact O-N 3.41Å; T166-N170 WeakPolarHBondContact O-CB 3.42Å; T166-N170 VanDerWaalsContact O-CG 3.3Å; T166-N170 PolarHBondContact O-N 2.95Å; T166-N170 PolarHBondContact O-ND2 3.09Å
167	Q	94.8	Very high	95.7	Very high	77 Å²	77	57.3 Å²	57.3	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-44.8	174.4	-80.2	162.2	-38.7	0	0	111.6	F131 L163 T164 N170 W171	F131-Q167 HydrophobicContact CE1-CB 4.16Å; F131-Q167 HydrophobicContact CE1-CG 4.08Å; F131-Q167 HydrophobicContact CZ-CB 3.75Å; F131-Q167 HydrophobicContact CZ-CG 4.08Å; L163-Q167 HydrophobicContact CB-CB 4.29Å; T164-Q167 WeakPolarHBondContact O-CA 3.42Å; T164-Q167 WeakPolarHBondContact O-CB 3.49Å; T164-Q167 PolarHBondContact O-N 2.91Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.47Å; T164-Q167 VanDerWaalsContact OG1-CD 3.27Å; T164-Q167 VanDerWaalsContact OG1-CG 3.25Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.35Å; T164-Q167 PolarHBondContact OG1-N 2.91Å; T164-Q167 VanDerWaalsContact OG1-N 3.17Å; T164-Q167 PolarHBondContact OG1-OE1 3.07Å; Q167-N170 PolarHBondContact O-N 3.17Å; Q167-W171 WeakPolarHBondContact O-CB 3.28Å; Q167-W171 PolarHBondContact O-N 3.34Å
168	V	96.2	Very high	95.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-51.4	174.2	177.1	0	0	0	0	110.4	L139 K154 L157 A158 L163 T164 N170 W171 F172	L139-V168 HydrophobicContact CD2-CG1 4.09Å; L139-V168 HydrophobicContact CD2-CG2 4.42Å; K154-V168 HydrophobicContact CG-CG1 4.45Å; L157-V168 HydrophobicContact CB-CG1 4.02Å; L157-V168 HydrophobicContact CD1-CG1 4.26Å; A158-V168 HydrophobicContact CB-CG2 4.21Å; L163-V168 HydrophobicContact CB-CG2 4.09Å; T164-V168 PolarHBondContact O-N 3.38Å; V168-N170 VanDerWaalsContact C-N 3.31Å; V168-N170 PolarHBondContact O-N 3.3Å; V168-W171 WeakPolarHBondContact O-CB 3.41Å; V168-W171 PolarHBondContact O-N 3.13Å; V168-W171 VanDerWaalsContact O-N 3.1Å; V168-F172 HydrophobicContact CG1-CD2 3.92Å; V168-F172 HydrophobicContact CG1-CE2 3.9Å; V168-F172 WeakPolarHBondContact O-CD2 3.43Å; V168-F172 PolarHBondContact O-N 3.29Å; V168-F172 VanDerWaalsContact O-N 3.07Å
169	S	96.6	Very high	95.4	Very high	37 Å²	37	65.5 Å²	65.5	26%	0.259	35%	0.349	S	S	.	.	H	α-helix	trans	-57	-42.5	178.7	-67.8	0	0	0	0	113	K154 T165 T166 K173	K154-S169 WeakPolarHBondContact CD-OG 3.26Å; K154-S169 WeakPolarHBondContact CE-OG 3.41Å; K154-S169 PolarHBondContact NZ-OG 3.46Å; T165-S169 VanDerWaalsContact O-CB 3.28Å; T165-S169 WeakPolarHBondContact O-CB 3.5Å; T165-S169 PolarHBondContact O-N 3.3Å; T165-S169 PolarHBondContact O-OG 2.9Å; T166-S169 PolarHBondContact O-N 3.41Å; S169-K173 WeakPolarHBondContact O-CB 3.28Å; S169-K173 PolarHBondContact O-N 2.98Å; S169-K173 VanDerWaalsContact O-N 3.08Å
170	N	96	Very high	95.4	Very high	76 Å²	76	64.8 Å²	64.8	41%	0.406	34%	0.34	S	S	.	.	H	α-helix	trans	-68	-37.8	176.7	-75.9	-27.3	0	0	0	112.2	T166 Q167 V168 K173 N174	T166-N170 WeakPolarHBondContact O-CB 3.42Å; T166-N170 VanDerWaalsContact O-CG 3.3Å; T166-N170 PolarHBondContact O-N 2.95Å; T166-N170 PolarHBondContact O-ND2 3.09Å; Q167-N170 PolarHBondContact O-N 3.17Å; V168-N170 VanDerWaalsContact C-N 3.31Å; V168-N170 PolarHBondContact O-N 3.3Å; N170-K173 PolarHBondContact O-N 2.79Å; N170-N174 VanDerWaalsContact O-CB 3.28Å; N170-N174 WeakPolarHBondContact O-CB 3.5Å; N170-N174 PolarHBondContact O-N 3.47Å; N170-N174 PolarHBondContact O-ND2 2.83Å; N170-N174 PolarHBondContact O-OD1 3.46Å
171	W	95.9	Very high	95.2	Very high	44 Å²	44	64 Å²	64	17%	0.167	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-49.9	176.6	-172.9	98.5	0	0	0	111.5	F131 L139 R140 Y143 Q167 V168 K173 N174 R175	F131-W171 AromaticContact CD2-CD1 3.96Å; F131-W171 HydrophobicContact CE2-CB 4.11Å; F131-W171 AromaticContact CE2-CD1 3.68Å; F131-W171 HydrophobicContact CE2-CG 4.2Å; L139-W171 VanDerWaalsContact C-CH2 3.49Å; L139-W171 HydrophobicContact CB-CD2 3.96Å; L139-W171 HydrophobicContact CB-CE3 3.96Å; L139-W171 HydrophobicContact CB-CH2 3.84Å; L139-W171 HydrophobicContact CB-CZ2 3.79Å; L139-W171 HydrophobicContact CB-CZ3 3.91Å; L139-W171 HydrophobicContact CD1-CB 4.42Å; L139-W171 HydrophobicContact CD1-CD2 3.94Å; L139-W171 HydrophobicContact CD1-CG 3.86Å; L139-W171 HydrophobicContact CD2-CE3 4.44Å; L139-W171 HydrophobicContact CG-CD2 4.41Å; L139-W171 WeakPolarHBondContact O-CH2 3.47Å; L139-W171 WeakPolarHBondContact O-CZ3 3.45Å; R140-W171 HydrophobicContact CG-CH2 4.32Å; R140-W171 HydrophobicContact CG-CZ2 4.05Å; Y143-W171 AromaticContact CD2-CZ3 3.99Å; Y143-W171 HydrophobicContact CD2-CZ3 3.99Å; Y143-W171 HydrophobicContact CG-CH2 4.37Å; Y143-W171 HydrophobicContact CG-CZ3 4.21Å; Q167-W171 WeakPolarHBondContact O-CB 3.28Å; Q167-W171 PolarHBondContact O-N 3.34Å; V168-W171 WeakPolarHBondContact O-CB 3.41Å; V168-W171 PolarHBondContact O-N 3.13Å; V168-W171 VanDerWaalsContact O-N 3.1Å; W171-K173 PolarHBondContact O-N 2.88Å; W171-N174 PolarHBondContact O-N 2.93Å; W171-R175 HydrophobicContact CE3-CB 4.41Å; W171-R175 HydrophobicContact CH2-CB 4.43Å; W171-R175 HydrophobicContact CH2-CG 4.22Å; W171-R175 HydrophobicContact CZ3-CB 4.22Å; W171-R175 HydrophobicContact CZ3-CG 4.34Å; W171-R175 WeakPolarHBondContact O-CB 3.24Å; W171-R175 PolarHBondContact O-N 3.48Å
172	F	97	Very high	95	Very high	1 Å²	1	65.5 Å²	65.5	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-41.9	177.8	-84.2	-92.9	0	0	0	112	L139 W142 Y143 P149 L157 V168 R175 R176	L139-F172 HydrophobicContact CD2-CD2 4.44Å; L139-F172 HydrophobicContact CD2-CE2 3.68Å; L139-F172 HydrophobicContact CD2-CZ 4.49Å; W142-F172 HydrophobicContact CB-CZ 4.22Å; W142-F172 AromaticContact CD1-CZ 3.75Å; W142-F172 HydrophobicContact CG-CZ 4.23Å; Y143-F172 AromaticContact CD2-CD1 3.67Å; Y143-F172 HydrophobicContact CD2-CD1 3.67Å; Y143-F172 AromaticContact CD2-CE1 3.79Å; Y143-F172 HydrophobicContact CD2-CE1 3.79Å; Y143-F172 HydrophobicContact CE2-CD1 4.31Å; Y143-F172 HydrophobicContact CG-CE1 4.49Å; P149-F172 VanDerWaalsContact CD-CD1 3.46Å; P149-F172 HydrophobicContact CG-CD1 3.77Å; P149-F172 HydrophobicContact CG-CD2 4.01Å; P149-F172 HydrophobicContact CG-CE1 3.75Å; P149-F172 HydrophobicContact CG-CE2 3.99Å; P149-F172 HydrophobicContact CG-CG 3.92Å; P149-F172 HydrophobicContact CG-CZ 3.87Å; L157-F172 HydrophobicContact CD1-CE2 3.81Å; L157-F172 HydrophobicContact CD1-CZ 3.91Å; V168-F172 HydrophobicContact CG1-CD2 3.92Å; V168-F172 HydrophobicContact CG1-CE2 3.9Å; V168-F172 WeakPolarHBondContact O-CD2 3.43Å; V168-F172 PolarHBondContact O-N 3.29Å; V168-F172 VanDerWaalsContact O-N 3.07Å; F172-R175 PolarHBondContact O-N 3.41Å; F172-R176 WeakPolarHBondContact O-CG 3.25Å; F172-R176 PolarHBondContact O-N 3.47Å; F172-R176 VanDerWaalsContact O-N 3.11Å
173	K	96	Very high	94.8	Very high	109 Å²	109	66.3 Å²	66.3	47%	0.474	33%	0.332	S	S	.	.	H	α-helix	trans	-57.5	-50.3	174	179	-178.9	176.5	179.3	0	111.5	S169 N170 W171 Q177	S169-K173 WeakPolarHBondContact O-CB 3.28Å; S169-K173 PolarHBondContact O-N 2.98Å; S169-K173 VanDerWaalsContact O-N 3.08Å; N170-K173 PolarHBondContact O-N 2.79Å; W171-K173 PolarHBondContact O-N 2.88Å; K173-Q177 WeakPolarHBondContact O-CG 3.28Å; K173-Q177 PolarHBondContact O-N 3.24Å; K173-Q177 VanDerWaalsContact O-N 3.1Å
174	N	95	Very high	94.5	Very high	86 Å²	86	67.3 Å²	67.3	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-69.3	-34.8	-176.8	-67.3	-9.5	0	0	0	112.1	N170 W171 Q177 R178	N170-N174 VanDerWaalsContact O-CB 3.28Å; N170-N174 WeakPolarHBondContact O-CB 3.5Å; N170-N174 PolarHBondContact O-N 3.47Å; N170-N174 PolarHBondContact O-ND2 2.83Å; N170-N174 PolarHBondContact O-OD1 3.46Å; W171-N174 PolarHBondContact O-N 2.93Å; N174-Q177 PolarHBondContact O-N 3.29Å; N174-R178 WeakPolarHBondContact O-CB 3.3Å; N174-R178 PolarHBondContact O-N 2.98Å
175	R	95.4	Very high	94.2	Very high	74 Å²	74	70.9 Å²	70.9	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-52.4	174.7	-178.3	58	167	148	-3	110.9	Y143 W171 F172 Q177 R178 D179	Y143-R175 HydrophobicContact CD1-CG 3.99Å; Y143-R175 HydrophobicContact CD2-CB 4.37Å; Y143-R175 HydrophobicContact CD2-CG 3.84Å; Y143-R175 HydrophobicContact CE1-CG 3.63Å; Y143-R175 HydrophobicContact CE2-CB 3.95Å; Y143-R175 HydrophobicContact CE2-CG 3.49Å; Y143-R175 VanDerWaalsContact CE2-CG 3.49Å; Y143-R175 HydrophobicContact CG-CG 4.08Å; W171-R175 HydrophobicContact CE3-CB 4.41Å; W171-R175 HydrophobicContact CH2-CB 4.43Å; W171-R175 HydrophobicContact CH2-CG 4.22Å; W171-R175 HydrophobicContact CZ3-CB 4.22Å; W171-R175 HydrophobicContact CZ3-CG 4.34Å; W171-R175 WeakPolarHBondContact O-CB 3.24Å; W171-R175 PolarHBondContact O-N 3.48Å; F172-R175 PolarHBondContact O-N 3.41Å; R175-Q177 VanDerWaalsContact C-N 3.28Å; R175-Q177 PolarHBondContact O-N 3.41Å; R175-R178 VanDerWaalsContact CD-NH2 3.28Å; R175-R178 WeakPolarHBondContact O-CB 3.3Å; R175-R178 PolarHBondContact O-N 3.27Å; R175-D179 IonicContact CZ-OD1 3.68Å; R175-D179 VanDerWaalsContact CZ-OD1 3.27Å; R175-D179 IonicContact CZ-OD2 3.61Å; R175-D179 IonicContact NE-OD1 2.69Å; R175-D179 IonicContact NE-OD2 3.92Å; R175-D179 IonicContact NH1-OD1 3.94Å; R175-D179 PolarHBondContact NH1-OD1 3.3Å; R175-D179 IonicContact NH1-OD2 2.73Å; R175-D179 VanDerWaalsContact O-CG 3.22Å; R175-D179 PolarHBondContact O-N 3.23Å
176	R	97.1	Very high	93.7	Very high	53 Å²	53	73.9 Å²	73.9	20%	0.2	36%	0.363	C	S	.	.	H	α-helix	trans	-59.6	-34.5	176.6	-66	-166	-56.4	-90.9	2.6	113.7	Y143 P147 Y148 F172 R180	Y143-R176 HydrophobicContact CE2-CG 3.75Å; Y143-R176 WeakPolarHBondContact OH-CA 3.25Å; Y143-R176 WeakPolarHBondContact OH-CG 3.42Å; Y143-R176 PolarHBondContact OH-N 2.91Å; P147-R176 WeakPolarHBondContact O-CD 3.4Å; P147-R176 PolarHBondContact O-NH1 3.01Å; Y148-R176 VanDerWaalsContact CE1-CD 3.44Å; F172-R176 WeakPolarHBondContact O-CG 3.25Å; F172-R176 PolarHBondContact O-N 3.47Å; F172-R176 VanDerWaalsContact O-N 3.11Å; R176-R180 PolarHBondContact O-N 3.37Å; R176-R180 PolarHBondContact O-NH1 2.96Å
177	Q	95.1	Very high	93.1	Very high	94 Å²	94	77.3 Å²	77.3	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-40.3	173.7	-78.1	179.8	-25.7	0	0	112.2	K173 N174 R175 A181	K173-Q177 WeakPolarHBondContact O-CG 3.28Å; K173-Q177 PolarHBondContact O-N 3.24Å; K173-Q177 VanDerWaalsContact O-N 3.1Å; N174-Q177 PolarHBondContact O-N 3.29Å; R175-Q177 VanDerWaalsContact C-N 3.28Å; R175-Q177 PolarHBondContact O-N 3.41Å; Q177-A181 WeakPolarHBondContact O-CB 3.48Å; Q177-A181 PolarHBondContact O-N 3.17Å
178	R	93.9	Very high	92.5	Very high	153 Å²	153	79.8 Å²	79.8	58%	0.577	38%	0.378	S	S	*	.	H	α-helix	trans	-71.7	-34	-179	-162.6	177.7	67.9	-142.8	2.2	112.4	N174 R175 A181 A182	N174-R178 WeakPolarHBondContact O-CB 3.3Å; N174-R178 PolarHBondContact O-N 2.98Å; R175-R178 VanDerWaalsContact CD-NH2 3.28Å; R175-R178 WeakPolarHBondContact O-CB 3.3Å; R175-R178 PolarHBondContact O-N 3.27Å; R178-A181 PolarHBondContact O-N 2.76Å; R178-A182 PolarHBondContact O-N 2.85Å; R178-A182 VanDerWaalsContact O-N 3.1Å
179	D	93.2	Very high	91.4	Very high	31 Å²	31	85 Å²	85	17%	0.166	41%	0.406	C	S	.	.	H	α-helix	trans	-70.8	-48.5	179.7	-59.4	-7.6	0	0	0	110.4	Y143 R175 A181 A182 E183	Y143-D179 WeakPolarHBondContact CE1-OD2 3.15Å; Y143-D179 VanDerWaalsContact CZ-OD2 3.24Å; Y143-D179 PolarHBondContact OH-OD2 3.18Å; R175-D179 IonicContact CZ-OD1 3.68Å; R175-D179 VanDerWaalsContact CZ-OD1 3.27Å; R175-D179 IonicContact CZ-OD2 3.61Å; R175-D179 IonicContact NE-OD1 2.69Å; R175-D179 IonicContact NE-OD2 3.92Å; R175-D179 IonicContact NH1-OD1 3.94Å; R175-D179 PolarHBondContact NH1-OD1 3.3Å; R175-D179 IonicContact NH1-OD2 2.73Å; R175-D179 VanDerWaalsContact O-CG 3.22Å; R175-D179 PolarHBondContact O-N 3.23Å; D179-A181 PolarHBondContact O-N 3Å; D179-A182 WeakPolarHBondContact O-CA 3.45Å; D179-A182 WeakPolarHBondContact O-CB 3.32Å; D179-A182 PolarHBondContact O-N 3.21Å; D179-E183 WeakPolarHBondContact O-CG 3.31Å; D179-E183 PolarHBondContact O-N 3.13Å
180	R	94.6	Very high	90.3	Very high	123 Å²	123	86.7 Å²	86.7	46%	0.464	42%	0.417	S	S	.	.	H	α-helix	trans	-57.2	-34.3	171.2	-72	-166.9	-59.1	-85	2.5	113.8	R176 A182 A184	R176-R180 PolarHBondContact O-N 3.37Å; R176-R180 PolarHBondContact O-NH1 2.96Å; R180-A182 VanDerWaalsContact C-N 3.32Å; R180-A184 WeakPolarHBondContact O-CB 3.05Å; R180-A184 PolarHBondContact O-N 2.81Å
181	A	90.3	Very high	88.7	Confident	54 Å²	54	89.7 Å²	89.7	45%	0.446	43%	0.429	S	S	.	.	H	α-helix	trans	-74.8	-20.2	176.9	0	0	0	0	0	113.4	Q177 R178 D179 K185	Q177-A181 WeakPolarHBondContact O-CB 3.48Å; Q177-A181 PolarHBondContact O-N 3.17Å; R178-A181 PolarHBondContact O-N 2.76Å; D179-A181 PolarHBondContact O-N 3Å; A181-K185 WeakPolarHBondContact O-CG 3.47Å
182	A	90.3	Very high	87	Confident	43 Å²	43	93.9 Å²	93.9	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-79.6	-49.3	169.2	0	0	0	0	0	110.3	R178 D179 R180 A184 K185 E186	R178-A182 PolarHBondContact O-N 2.85Å; R178-A182 VanDerWaalsContact O-N 3.1Å; D179-A182 WeakPolarHBondContact O-CA 3.45Å; D179-A182 WeakPolarHBondContact O-CB 3.32Å; D179-A182 PolarHBondContact O-N 3.21Å; R180-A182 VanDerWaalsContact C-N 3.32Å; A182-A184 VanDerWaalsContact C-N 3.27Å; A182-A184 PolarHBondContact O-N 3.05Å; A182-K185 PolarHBondContact O-N 2.64Å; A182-E186 PolarHBondContact O-N 3.01Å
183	E	91.1	Very high	85.1	Confident	89 Å²	89	97.3 Å²	97.3	42%	0.416	48%	0.479	S	S	.	.	H	α-helix	trans	-53.9	-40.6	176.4	-67.9	165.3	-148.5	0	0	112.7	D179 E186 R187	D179-E183 WeakPolarHBondContact O-CG 3.31Å; D179-E183 PolarHBondContact O-N 3.13Å; E183-E186 PolarHBondContact O-N 3.09Å; E183-R187 WeakPolarHBondContact O-CG 3.42Å; E183-R187 PolarHBondContact O-N 3.45Å
184	A	88.7	Confident	82.9	Confident	46 Å²	46	98.1 Å²	98.1	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-45	176.7	0	0	0	0	0	112.3	R180 A182 R187 E188	R180-A184 WeakPolarHBondContact O-CB 3.05Å; R180-A184 PolarHBondContact O-N 2.81Å; A182-A184 VanDerWaalsContact C-N 3.27Å; A182-A184 PolarHBondContact O-N 3.05Å; A184-R187 PolarHBondContact O-N 3.12Å; A184-E188 WeakPolarHBondContact O-CG 3.35Å; A184-E188 PolarHBondContact O-N 3.3Å; A184-E188 VanDerWaalsContact O-N 3.08Å
185	K	88.3	Confident	80.9	Confident	148 Å²	148	98.1 Å²	98.1	64%	0.643	50%	0.5	S	S	*	.	H	α-helix	trans	-68.1	-35.6	178.7	-72.6	-177.7	170.1	-158.6	0	113.1	A181 A182 R187 N189	A181-K185 WeakPolarHBondContact O-CG 3.47Å; A182-K185 PolarHBondContact O-N 2.64Å; K185-R187 VanDerWaalsContact C-N 3.29Å; K185-N189 WeakPolarHBondContact O-CB 3.32Å; K185-N189 PolarHBondContact O-N 2.59Å
186	E	86.6	Confident	78.5	Confident	127 Å²	127	97.8 Å²	97.8	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-35.7	176.3	-73.2	171.6	-178.2	0	0	111.2	A182 E183 S190	A182-E186 PolarHBondContact O-N 3.01Å; E183-E186 PolarHBondContact O-N 3.09Å; E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 3.3Å; E186-S190 VanDerWaalsContact O-N 3.08Å; E186-S190 PolarHBondContact O-OG 3.36Å
187	R	83.7	Confident	76	Confident	158 Å²	158	99.9 Å²	99.9	60%	0.596	54%	0.543	S	S	*	.	H	α-helix	trans	-67.9	-51.6	173.5	-68.5	172.4	-165.1	-175.7	6.3	112	E183 A184 K185 N189 S190 E191	E183-R187 WeakPolarHBondContact O-CG 3.42Å; E183-R187 PolarHBondContact O-N 3.45Å; A184-R187 PolarHBondContact O-N 3.12Å; K185-R187 VanDerWaalsContact C-N 3.29Å; R187-N189 VanDerWaalsContact C-N 3.27Å; R187-N189 PolarHBondContact O-N 2.98Å; R187-S190 PolarHBondContact O-N 2.81Å; R187-E191 WeakPolarHBondContact O-CG 3.26Å; R187-E191 PolarHBondContact O-N 3.18Å
188	E	80.7	Confident	73.5	Confident	129 Å²	129	102.6 Å²	102.6	60%	0.603	56%	0.56	S	S	*	*	H	α-helix	trans	-52.5	-45.6	176.3	-71.8	170.6	170.1	0	0	111.7	A184 S190 N192	A184-E188 WeakPolarHBondContact O-CG 3.35Å; A184-E188 PolarHBondContact O-N 3.3Å; A184-E188 VanDerWaalsContact O-N 3.08Å; E188-S190 PolarHBondContact O-N 3.44Å; E188-N192 WeakPolarHBondContact O-CB 3.3Å; E188-N192 PolarHBondContact O-N 3.39Å; E188-N192 VanDerWaalsContact O-N 3.11Å
189	N	75	Confident	71.2	Confident	110 Å²	110	105.3 Å²	105.3	59%	0.588	58%	0.576	S	S	*	*	H	α-helix	trans	-69.8	-31.8	179.4	-168.9	70.4	0	0	0	113.1	K185 R187 S193	K185-N189 WeakPolarHBondContact O-CB 3.32Å; K185-N189 PolarHBondContact O-N 2.59Å; R187-N189 VanDerWaalsContact C-N 3.27Å; R187-N189 PolarHBondContact O-N 2.98Å; N189-S193 WeakPolarHBondContact O-CB 3.4Å; N189-S193 PolarHBondContact O-N 2.83Å; N189-S193 PolarHBondContact O-OG 3.1Å
190	S	73.3	Confident	68.6	Low	72 Å²	72	112.6 Å²	112.6	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-74.2	-40.6	177.6	-59.7	0	0	0	0	112	E186 R187 E188 S193 N194	E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 3.3Å; E186-S190 VanDerWaalsContact O-N 3.08Å; E186-S190 PolarHBondContact O-OG 3.36Å; R187-S190 PolarHBondContact O-N 2.81Å; E188-S190 PolarHBondContact O-N 3.44Å; S190-S193 PolarHBondContact O-N 3.37Å; S190-N194 PolarHBondContact O-N 2.93Å
191	E	62.1	Low	65.8	Low	140 Å²	140	114 Å²	114	65%	0.654	63%	0.626	S	S	*	*	H	α-helix	trans	-64.6	-43.9	176	-71.4	173.4	175.1	0	0	111.1	R187 S193 N194 A195	R187-E191 WeakPolarHBondContact O-CG 3.26Å; R187-E191 PolarHBondContact O-N 3.18Å; E191-S193 PolarHBondContact O-N 2.98Å; E191-N194 PolarHBondContact O-N 3.21Å; E191-A195 PolarHBondContact O-N 3.35Å; E191-A195 VanDerWaalsContact O-N 3.17Å
192	N	59.1	Low	63.2	Low	132 Å²	132	120.7 Å²	120.7	71%	0.706	65%	0.648	S	S	*	*	H	α-helix	trans	-66.7	-26.1	176.2	-153.5	61	0	0	0	113	E188	E188-N192 WeakPolarHBondContact O-CB 3.3Å; E188-N192 PolarHBondContact O-N 3.39Å; E188-N192 VanDerWaalsContact O-N 3.11Å
193	S	57.4	Low	60.7	Low	73 Å²	73	126.3 Å²	126.3	51%	0.51	67%	0.671	S	S	.	*	H	α-helix	trans	-78.2	-30.3	174.3	-58.5	0	0	0	0	112.8	N189 S190 E191	N189-S193 WeakPolarHBondContact O-CB 3.4Å; N189-S193 PolarHBondContact O-N 2.83Å; N189-S193 PolarHBondContact O-OG 3.1Å; S190-S193 PolarHBondContact O-N 3.37Å; E191-S193 PolarHBondContact O-N 2.98Å
194	N	51.2	Low	57.9	Low	126 Å²	126	127.3 Å²	127.3	67%	0.674	69%	0.688	S	S	*	*	H	α-helix	trans	-84.2	-19.8	-178.7	-151.1	15.7	0	0	0	112.9	S190 E191 G196	S190-N194 PolarHBondContact O-N 2.93Å; E191-N194 PolarHBondContact O-N 3.21Å; N194-G196 PolarHBondContact O-N 2.86Å
195	A	51.5	Low	56.2	Low	85 Å²	85	130.4 Å²	130.4	70%	0.702	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-18.1	172.4	0	0	0	0	0	114	E191	E191-A195 PolarHBondContact O-N 3.35Å; E191-A195 VanDerWaalsContact O-N 3.17Å
196	G	45.9	Very low	53.7	Low	67 Å²	67	131.3 Å²	131.3	69%	0.691	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-16.2	-179.2	0	0	0	0	0	115.5	N194	N194-G196 PolarHBondContact O-N 2.86Å
197	S	44.9	Very low	51.2	Low	98 Å²	98	133.2 Å²	133.2	69%	0.685	73%	0.729	S	S	*	*	S	Bend	trans	-99.6	8.8	-162.6	-60.4	0	0	0	0	115.7
198	N	42.5	Very low	48.9	Very low	151 Å²	151	128.9 Å²	128.9	81%	0.807	73%	0.734	S	S	*	*	S	Bend	trans	-133.3	46.4	-175.3	-152.5	11.3	0	0	0	115.3
199	K	44.5	Very low	46.6	Very low	210 Å²	210	126.5 Å²	126.5	91%	0.913	74%	0.744	S	S	*	*			trans	-139.2	79.7	159.1	-76	-165.9	178	180	0	111.1
200	Q	39.6	Very low	44.9	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	76%	0.759	S	S	*	*			trans	-131.9	82.8	170.7	-154.8	174.9	35.2	0	0	111.1
201	N	34.9	Very low	42.8	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	77%	0.769	S	S	*	*			trans	168.4	110.9	137.7	-90.4	-18.7	0	0	0	110.8
202	Q	36.6	Very low	41.4	Very low	194 Å²	194	133.7 Å²	133.7	91%	0.907	78%	0.778	S	S	*	*				-178.1	129.6	121.3	-79.3	-115.1	54.5	0	0	108.1
203	L	36.4	Very low	40.5	Very low	161 Å²	161	135.7 Å²	135.7	84%	0.843	79%	0.786	S	S	*	*			trans	-89.1	157.2	170.7	-55.9	144.7	0	0	0	106.7
204	S	34.2	Very low	39.2	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	80%	0.801	S	S	*	*			cis	-157.6	-148.6	34.9	-54.7	0	0	0	0	110.3
205	P	52.4	Low	38.5	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	80%	0.798	S	S	*	*				-127.8	-173.9	-119	39.5	-17.8	0	0	0	117
206	L	36.1	Very low	37.7	Very low	168 Å²	168	137.1 Å²	137.1	88%	0.88	80%	0.8	S	S	*	*			trans	75.8	113.9	165.6	-59.5	158.9	0	0	0	118.1
207	D	32.8	Very low	37.3	Very low	167 Å²	167	142.9 Å²	142.9	89%	0.893	81%	0.809	S	S	*	*				-173.8	163.8	98.5	-165.6	19	0	0	0	110.8
208	G	36.3	Very low	36.9	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	82%	0.817	S	S	*	*			trans	-95	146.3	-175.9	0	0	0	0	0	115.1
209	G	32.2	Very low	36.4	Very low	78 Å²	78	146.2 Å²	146.2	80%	0.804	81%	0.814	S	S	*	*			trans	-165.9	95.3	-177.9	0	0	0	0	0	116.1
210	K	38.4	Very low	35.8	Very low	208 Å²	208	145.6 Å²	145.6	90%	0.904	81%	0.812	S	S	*	*			trans	-43.8	131.9	164.2	51.9	-176.2	173.7	175.7	0	115.9
211	S	29.3	Very low	35.7	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	80%	0.798	S	S	*	*			trans	178.3	121.8	137.3	-110.8	0	0	0	0	110.2
212	L	32.8	Very low	36.2	Very low	162 Å²	162	138.3 Å²	138.3	85%	0.848	79%	0.791	S	S	*	*				67.9	98.3	93.1	-67	179	0	0	0	115.7
213	M	40.3	Very low	36.6	Very low	174 Å²	174	135 Å²	135	86%	0.857	79%	0.786	S	S	*	*			trans	31.5	117.7	134.5	-168.6	173.7	-178.9	0	0	119.4
214	S	29.6	Very low	36.6	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	79%	0.789	S	S	*	*			trans	-147.5	130.9	142	-166.5	0	0	0	0	110.6
215	S	36.9	Very low	36.9	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	79%	0.787	S	S	*	*			trans	-78.2	149.8	169	-58.6	0	0	0	0	109.8
216	S	34.3	Very low	36.6	Very low	106 Å²	106	137 Å²	137	74%	0.741	79%	0.791	S	S	*	*			trans	-148	133.1	152	-73	0	0	0	0	109.4
217	E	38.7	Very low	36.6	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	79%	0.79	S	S	*	*			trans	-108.8	97.3	-173.2	-56.5	176.9	114.7	0	0	107.4	E219	E217-E219 PolarHBondContact O-N 2.91Å
218	D	35.3	Very low	36.8	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	79%	0.791	S	S	*	*			trans	-88.4	104.9	-177.9	-86.6	-63.2	0	0	0	112.4	F220	D218-F220 PolarHBondContact O-N 3.04Å
219	E	32.8	Very low	36.9	Very low	160 Å²	160	142.3 Å²	142.3	75%	0.748	80%	0.799	S	S	*	*			trans	-77.1	94.1	-179.5	-167.5	-148.4	123	0	0	111.4	E217 S221	E217-E219 PolarHBondContact O-N 2.91Å; E219-S221 PolarHBondContact O-N 3.5Å; E219-S221 PolarHBondContact OE1-OG 2.74Å
220	F	32.3	Very low	37.1	Very low	196 Å²	196	144.3 Å²	144.3	86%	0.86	80%	0.8	S	S	*	*			trans	-76.5	84.8	177.6	-159.8	-91.3	0	0	0	112.8	D218	D218-F220 PolarHBondContact O-N 3.04Å
221	S	36.1	Very low	36.8	Very low	80 Å²	80	139.1 Å²	139.1	56%	0.559	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74	133.3	170.2	-98	0	0	0	0	111.7	E219	E219-S221 PolarHBondContact O-N 3.5Å; E219-S221 PolarHBondContact OE1-OG 2.74Å
222	P	47.4	Very low	37.1	Very low	105 Å²	105	142.6 Å²	142.6	68%	0.682	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.2	149.6	-178.9	32.2	-34.9	0	0	0	112.7
223	P	44.8	Very low	37.3	Very low	123 Å²	123	142.1 Å²	142.1	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.3	147.9	-170	27.4	-35.5	0	0	0	114.4
224	Q	36.2	Very low	37.2	Very low	195 Å²	195	142 Å²	142	91%	0.911	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.7	147	173.8	-68.7	175	-30.6	0	0	111.8
225	S	39.4	Very low	37.5	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.8	139.5	168.7	47.5	0	0	0	0	110.9
226	P	45.7	Very low	37.2	Very low	123 Å²	123	144.6 Å²	144.6	80%	0.799	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.6	136.3	-179.5	30	-34.3	0	0	0	112.3
227	D	36.8	Very low	37.1	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.7	171.4	-72.3	-58.3	0	0	0	112.1
228	Q	38.1	Very low	37.3	Very low	195 Å²	195	146.5 Å²	146.5	91%	0.911	82%	0.818	S	S	*	*			trans	-103	98.5	167.2	-70.1	-174.5	-2.9	0	0	109.2
229	N	36.5	Very low	37.2	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	82%	0.818	S	S	*	*			trans	-132.6	85.4	172.5	-133.9	10.7	0	0	0	109.1
230	S	36.7	Very low	37.4	Very low	119 Å²	119	146 Å²	146	83%	0.832	82%	0.824	S	S	*	*			trans	-108.8	88.5	176.4	54	0	0	0	0	109.9
231	A	32	Very low	38.4	Very low	100 Å²	100	142.7 Å²	142.7	83%	0.826	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.6	127.8	168.6	0	0	0	0	0	109.7
232	L	36.9	Very low	38.1	Very low	177 Å²	177	142.7 Å²	142.7	93%	0.927	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-91.9	121.7	175.3	-119.4	167.7	0	0	0	109.6
233	L	37	Very low	37.4	Very low	152 Å²	152	142.7 Å²	142.7	80%	0.796	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-80	133.3	175	-76.2	163	0	0	0	110.7
234	L	38.7	Very low	36.8	Very low	171 Å²	171	143 Å²	143	90%	0.895	85%	0.848	S	S	*	*			trans	-150.1	112.3	148.9	-141.1	77.6	0	0	0	110.5
235	Q	34.6	Very low	36.7	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	83%	0.833	S	S	*	*			trans	-75.2	149.4	156.1	-67.2	157.3	-52.2	0	0	107.2
236	G	31.5	Very low	36.7	Very low	71 Å²	71	142.7 Å²	142.7	73%	0.732	84%	0.84	S	S	*	*			cis	156.5	164.8	1.2	0	0	0	0	0	107.9
237	N	31.1	Very low	37.3	Very low	164 Å²	164	141.8 Å²	141.8	88%	0.877	83%	0.834	S	S	*	*			trans	179.2	160.1	134.7	-154.4	39.7	0	0	0	112.3
238	M	43.2	Very low	37.3	Very low	170 Å²	170	142.7 Å²	142.7	84%	0.837	84%	0.835	S	S	*	*			trans	-91.9	147.9	-173.4	-63.4	-74.4	-172	0	0	114.7
239	S	33.1	Very low	37	Very low	122 Å²	122	138.8 Å²	138.8	85%	0.853	83%	0.829	S	S	*	*			trans	-173	125	132.7	47.9	0	0	0	0	114.6
240	H	38.4	Very low	36.8	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.866	82%	0.818	S	S	*	*			trans	-97.1	-178.6	155.4	-96.8	-58.3	0	0	0	108.1
241	P	52.7	Low	36.7	Very low	127 Å²	127	137.4 Å²	137.4	83%	0.825	83%	0.826	S	S	*	*			cis	-132.4	-176.3	5.4	34.2	-12.8	0	0	0	114.8
242	G	30.1	Very low	36.7	Very low	81 Å²	81	136.2 Å²	136.2	84%	0.835	82%	0.824	S	S	*	*			trans	-179	101	166.9	0	0	0	0	0	112.3
243	A	31.9	Very low	36.7	Very low	104 Å²	104	132.4 Å²	132.4	86%	0.86	82%	0.817	S	S	*	*			trans	-97.5	151.4	-178.7	0	0	0	0	0	112.1
244	S	33.4	Very low	37.3	Very low	129 Å²	129	131.4 Å²	131.4	90%	0.902	82%	0.82	S	S	*	*			trans	-160.6	149.7	146	-141.9	0	0	0	0	111.3
245	A	33.3	Very low	37.3	Very low	72 Å²	72	131.7 Å²	131.7	60%	0.595	82%	0.817	S	S	*	*			trans	-143.6	176.8	-174.7	0	0	0	0	0	111.2
246	Y	39.3	Very low	38.6	Very low	223 Å²	223	127.5 Å²	127.5	88%	0.875	81%	0.806	S	S	*	*			trans	94	157.4	167.6	-51.7	-65.1	0	0	0	116.8
247	P	57.8	Low	38.7	Very low	104 Å²	104	131.1 Å²	131.1	68%	0.675	81%	0.814	S	S	*	*				-149	-168.5	-90.8	39	-15.1	0	0	0	116.3
248	M	37.5	Very low	39.1	Very low	177 Å²	177	132 Å²	132	87%	0.872	81%	0.812	S	S	*	*			trans	62.6	150.6	158.7	-67.2	-63.2	-167.5	0	0	117.3
249	S	32.4	Very low	38.6	Very low	112 Å²	112	127 Å²	127	78%	0.783	81%	0.805	S	S	*	*			cis	-159.3	175.6	-2.6	-100.8	0	0	0	0	107.3
250	G	31.8	Very low	38.7	Very low	60 Å²	60	128.7 Å²	128.7	62%	0.619	80%	0.801	S	S	*	*			cis	153.3	159.3	-0.6	0	0	0	0	0	111.2
251	L	34.1	Very low	38.5	Very low	192 Å²	192	129 Å²	129	100%	1.005	80%	0.803	S	S	*	*			trans	71.8	143.5	177.5	-49	168.7	0	0	0	116.3
252	G	31.6	Very low	37.5	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	80%	0.803	S	S	*	*			cis	-172.9	167.9	-4.1	0	0	0	0	0	112.3
253	A	36.4	Very low	37.7	Very low	96 Å²	96	132 Å²	132	79%	0.793	81%	0.805	S	S	*	*			trans	-98.3	162.6	171.9	0	0	0	0	0	111
254	P	49.8	Very low	38.8	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	79%	0.793	S	S	*	*				-146.8	178.6	94.5	35	-15.6	0	0	0	116.8
255	Q	38.4	Very low	38.7	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	79%	0.787	S	S	*	*			trans	-91.9	-159.1	-178.2	-71	-95.3	-19.9	0	0	111.8
256	P	61.9	Low	38.7	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	80%	0.798	S	S	*	*				-130.4	-176.2	-67.1	38.1	-22.9	0	0	0	113.4
257	V	35	Very low	38.6	Very low	147 Å²	147	135.1 Å²	135.1	89%	0.891	80%	0.795	S	S	*	*			trans	-162.9	157.8	145.6	-101	0	0	0	0	114.7
258	H	38.3	Very low	37.5	Very low	182 Å²	182	138.5 Å²	138.5	84%	0.843	80%	0.802	S	S	*	*			trans	-54	168.7	178.3	-71.1	-115.2	0	0	0	117.2
259	G	32.7	Very low	37.2	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	79%	0.793	S	S	*	*			cis	152.8	173.9	-7.2	0	0	0	0	0	115.8
260	M	35.4	Very low	37.2	Very low	157 Å²	157	135.8 Å²	135.8	77%	0.773	79%	0.791	S	S	*	*			trans	86.1	149.3	154.7	-59.9	-72.3	86.4	0	0	124.4
261	H	35.1	Very low	37.3	Very low	194 Å²	194	140.3 Å²	140.3	90%	0.898	80%	0.8	S	S	*	*			trans	85.3	135.6	176	-52.9	89.6	0	0	0	117.2
262	G	30.5	Very low	37.6	Very low	80 Å²	80	139.2 Å²	139.2	83%	0.825	79%	0.794	S	S	*	*			cis	-172.2	161.9	-3.5	0	0	0	0	0	113.4
263	H	34.4	Very low	37.7	Very low	190 Å²	190	139.1 Å²	139.1	88%	0.88	79%	0.793	S	S	*	*			trans	-93.6	-172.3	-173.3	-98.6	-58.9	0	0	0	113.6
264	P	55.2	Low	37.9	Very low	95 Å²	95	139.9 Å²	139.9	62%	0.617	79%	0.79	S	S	*	*			cis	-141.8	-159.4	-31.8	36.6	-14.4	0	0	0	115
265	H	32.4	Very low	37.4	Very low	168 Å²	168	142.4 Å²	142.4	78%	0.778	80%	0.795	S	S	*	*			trans	79.1	152.8	164.6	-73.2	-55.8	0	0	0	118.9
266	Q	32.3	Very low	37.3	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.813	79%	0.789	S	S	*	*			cis	-151.3	177.7	2.5	-141	173.1	33	0	0	112.7
267	L	38.5	Very low	36.1	Very low	156 Å²	156	139.9 Å²	139.9	82%	0.817	80%	0.795	S	S	*	*			trans	-94	148.1	173.6	-65.5	160	0	0	0	112.2
268	Q	32.8	Very low	36.1	Very low	175 Å²	175	137.4 Å²	137.4	82%	0.818	78%	0.784	S	S	*	*			trans	-170.3	157.2	140.8	-152.8	69.6	72.5	0	0	112.8
269	D	31.9	Very low	36	Very low	128 Å²	128	136.3 Å²	136.3	68%	0.684	78%	0.783	S	S	*	*			trans	-70.2	167.3	178.8	-49.3	-99.3	0	0	0	117.2
270	S	32.1	Very low	36.5	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	79%	0.787	S	S	*	*			trans	142.7	111	139.3	-66.9	0	0	0	0	112
271	L	33.5	Very low	36.8	Very low	155 Å²	155	138.5 Å²	138.5	81%	0.812	79%	0.787	S	S	*	*				72.3	111	88.1	-77.1	171.8	0	0	0	116.1
272	L	41.6	Very low	37	Very low	169 Å²	169	137.4 Å²	137.4	89%	0.885	79%	0.787	S	S	*	*			trans	35.3	111.7	146.8	-61.7	172.1	0	0	0	119.6
273	G	32.6	Very low	37.5	Very low	74 Å²	74	136.3 Å²	136.3	76%	0.763	78%	0.775	S	S	*	*			trans	-117.8	138.6	160.2	0	0	0	0	0	111.6
274	P	42	Very low	37.8	Very low	111 Å²	111	137 Å²	137	72%	0.721	80%	0.801	S	S	*	*			trans	-89	159.5	-177.1	36.1	-35.5	0	0	0	112.9
275	L	38.8	Very low	37	Very low	184 Å²	184	139.1 Å²	139.1	96%	0.963	81%	0.811	S	S	*	*			trans	-104.8	116.8	161.7	-68.1	178.9	0	0	0	109.4
276	T	37.1	Very low	37.2	Very low	114 Å²	114	137.5 Å²	137.5	70%	0.699	81%	0.812	S	S	*	*			trans	-115	153.4	177.6	54.1	0	0	0	0	110.3
277	S	36.3	Very low	37.5	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	81%	0.812	S	S	*	*			trans	64.8	149.5	159.5	-77.5	0	0	0	0	118.4
278	S	34.8	Very low	37.4	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	81%	0.812	S	S	*	*			cis	-172.2	175.8	-12	-109.1	0	0	0	0	110
279	L	35.3	Very low	37.7	Very low	159 Å²	159	131.8 Å²	131.8	83%	0.832	81%	0.812	S	S	*	*			trans	71.7	144.4	160.3	-98.2	71	0	0	0	116.3
280	V	43.9	Very low	38.1	Very low	128 Å²	128	132 Å²	132	78%	0.776	82%	0.82	S	S	*	*			cis	-132.7	149.2	7.6	-90.9	0	0	0	0	112.4
281	D	41.4	Very low	38.5	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	83%	0.826	S	S	*	*			trans	-78.8	155.4	160.3	170.7	40.9	0	0	0	111
282	L	40	Very low	38.9	Very low	170 Å²	170	132.3 Å²	132.3	89%	0.89	83%	0.827	S	S	*	*			trans	-170.2	100.7	150.8	-106.4	179.1	0	0	0	109.6
283	G	40.8	Very low	38.7	Very low	57 Å²	57	129.3 Å²	129.3	59%	0.588	82%	0.823	S	S	*	*			trans	-98.2	141.3	170.6	0	0	0	0	0	113.2
284	S	41.5	Very low	39.3	Very low	204 Å²	204	134.3 Å²	134.3	100%	1.427	83%	0.828	S	S	*	*			trans	-162.7	0	153.4	-74.2	0	0	0	0	109

Retrieved 284 of 284 residues in 47 ms (Link to these results)

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