A0A077Z8M6_TRITR Loading...

NifU N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8M6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.2	Very low	56.7	Low	241 Å²	241	172.4 Å²	172.4	100%	1.187	87%	0.872	S	S	*	*				0	119.9	0	-95.3	158.8	151.5	0	0	108.7
2	M	51.1	Low	57.3	Low	189 Å²	189	167.2 Å²	167.2	93%	0.931	86%	0.864	S	S	*	*			trans	55.8	89.3	158.9	-57.3	-169.7	123.2	0	0	117.9
3	S	53.5	Low	57.8	Low	114 Å²	114	170.1 Å²	170.1	80%	0.797	87%	0.866	S	S	*	*				89.5	93.5	73.2	-163.5	0	0	0	0	113.1
4	S	54.3	Low	58.3	Low	110 Å²	110	168 Å²	168	77%	0.769	87%	0.865	S	S	*	*			trans	-58.9	123.2	165.3	38.9	0	0	0	0	112.5
5	K	58.1	Low	58.4	Low	206 Å²	206	172.3 Å²	172.3	90%	0.896	87%	0.866	S	S	*	*			trans	-97.9	101.5	165	-77.8	-173.7	175.8	-174.5	0	109.5	F7	K5-F7 PolarHBondContact O-N 2.77Å
6	L	56.9	Low	58.6	Low	173 Å²	173	169.1 Å²	169.1	91%	0.906	86%	0.864	S	S	*	*			trans	-68.7	120.7	166.2	-126.4	74.2	0	0	0	108.7
7	F	57.9	Low	58.9	Low	193 Å²	193	164.5 Å²	164.5	85%	0.846	86%	0.858	S	S	*	*			trans	-88.1	105.9	174.7	-146.5	-94.6	0	0	0	108.3	K5 L9	K5-F7 PolarHBondContact O-N 2.77Å; F7-L9 PolarHBondContact O-N 2.88Å
8	A	63.6	Low	59.2	Low	90 Å²	90	161.6 Å²	161.6	74%	0.744	85%	0.854	S	S	*	*			trans	-74.4	108.9	176.3	0	0	0	0	0	110	R10	A8-R10 PolarHBondContact O-N 3.2Å
9	L	57.7	Low	59.1	Low	142 Å²	142	161.4 Å²	161.4	74%	0.743	85%	0.852	S	S	*	*			trans	-67.8	110.7	167.2	-93.8	102.7	0	0	0	109.6	F7 F11	F7-L9 PolarHBondContact O-N 2.88Å; L9-F11 PolarHBondContact O-N 2.84Å
10	R	62.8	Low	58.9	Low	239 Å²	239	158.8 Å²	158.8	90%	0.902	85%	0.845	S	S	*	*			trans	-72.8	110.3	165.1	-83	-175.7	169.6	-168.6	-2	109.1	A8 S12	A8-R10 PolarHBondContact O-N 3.2Å; R10-S12 PolarHBondContact O-N 3.08Å; R10-S12 VanDerWaalsContact O-N 3.15Å
11	F	62.6	Low	58.8	Low	199 Å²	199	156.8 Å²	156.8	87%	0.873	84%	0.844	S	S	*	*			trans	-70.3	102.4	165	-81.7	-90.4	0	0	0	109.4	L9 K13	L9-F11 PolarHBondContact O-N 2.84Å; F11-K13 PolarHBondContact O-N 2.95Å
12	S	64.1	Low	59.5	Low	110 Å²	110	150.9 Å²	150.9	77%	0.769	82%	0.821	S	S	*	*			trans	-71.8	123.7	169.1	-75.8	0	0	0	0	109.9	R10 V14	R10-S12 PolarHBondContact O-N 3.08Å; R10-S12 VanDerWaalsContact O-N 3.15Å; S12-V14 PolarHBondContact O-N 3.09Å
13	K	63.9	Low	60	Low	205 Å²	205	146.4 Å²	146.4	89%	0.891	81%	0.814	S	S	*	*			trans	-58.7	112.7	175	-142.7	171.4	-172.6	175.6	0	109.1	F11 R15	F11-K13 PolarHBondContact O-N 2.95Å; K13-R15 PolarHBondContact O-N 2.73Å; K13-R15 VanDerWaalsContact O-N 3.15Å
14	V	64.2	Low	61.3	Low	141 Å²	141	146.4 Å²	146.4	86%	0.855	81%	0.81	S	S	*	*			trans	-66.4	112.6	173	-179.8	0	0	0	0	107.8	S12 S16	S12-V14 PolarHBondContact O-N 3.09Å; V14-S16 PolarHBondContact O-N 3.21Å
15	R	59.5	Low	63	Low	233 Å²	233	146.5 Å²	146.5	88%	0.879	79%	0.794	S	S	*	*			trans	-73.1	120.1	169.1	-76.6	-177	173.9	-168.4	-1.9	107.8	K13 A17	K13-R15 PolarHBondContact O-N 2.73Å; K13-R15 VanDerWaalsContact O-N 3.15Å; R15-A17 PolarHBondContact O-N 2.79Å; R15-A17 VanDerWaalsContact O-N 3.09Å
16	S	62.6	Low	64.7	Low	120 Å²	120	138.5 Å²	138.5	84%	0.839	76%	0.76	S	S	*	*			trans	-57.2	110.7	169.5	178.3	0	0	0	0	109.3	V14 S18	V14-S16 PolarHBondContact O-N 3.21Å; S16-S18 PolarHBondContact O-N 3.46Å
17	A	62.8	Low	66.5	Low	91 Å²	91	137.3 Å²	137.3	75%	0.752	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-72.2	118.8	170.3	0	0	0	0	0	108.6	R15 L19	R15-A17 PolarHBondContact O-N 2.79Å; R15-A17 VanDerWaalsContact O-N 3.09Å; A17-L19 PolarHBondContact O-N 2.86Å
18	S	64.9	Low	68.3	Low	112 Å²	112	129.9 Å²	129.9	78%	0.783	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.4	122	168.2	50.8	0	0	0	0	109	S16	S16-S18 PolarHBondContact O-N 3.46Å
19	L	56.6	Low	69.9	Low	158 Å²	158	125.8 Å²	125.8	83%	0.827	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.2	172.5	-74.7	163.7	0	0	0	109.2	A17 S21	A17-L19 PolarHBondContact O-N 2.86Å; L19-S21 PolarHBondContact O-N 2.88Å
20	P	55.2	Low	71.7	Confident	110 Å²	110	122.2 Å²	122.2	71%	0.714	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.4	130.2	170.3	25.3	-31.9	0	0	0	108.1	V22	P20-V22 PolarHBondContact O-N 3.37Å
21	S	57.6	Low	73.4	Confident	117 Å²	117	113.9 Å²	113.9	82%	0.818	64%	0.636	S	S	*	*			trans	-56.1	101.1	172.3	161.7	0	0	0	0	108.2	L19 A23	L19-S21 PolarHBondContact O-N 2.88Å; S21-A23 PolarHBondContact O-N 3.28Å
22	V	58.9	Low	75.1	Confident	117 Å²	117	105.2 Å²	105.2	71%	0.709	60%	0.598	S	S	*	*			trans	-58	116	168.6	-177.4	0	0	0	0	105.6	P20 T24	P20-V22 PolarHBondContact O-N 3.37Å; V22-T24 PolarHBondContact O-N 2.87Å; V22-T24 PolarHBondContact O-OG1 2.95Å
23	A	62.9	Low	76.7	Confident	95 Å²	95	105.9 Å²	105.9	79%	0.785	59%	0.585	S	S	*	*			trans	-61.3	92.5	178.9	0	0	0	0	0	108.2	S21	S21-A23 PolarHBondContact O-N 3.28Å
24	T	80.8	Confident	78.2	Confident	114 Å²	114	101 Å²	101	70%	0.699	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-84	133.1	-173.4	-53.7	0	0	0	0	107	V22 H26	V22-T24 PolarHBondContact O-N 2.87Å; V22-T24 PolarHBondContact O-OG1 2.95Å; T24-H26 PolarHBondContact O-N 3.47Å
25	Y	88.7	Confident	79.8	Confident	112 Å²	112	98.8 Å²	98.8	44%	0.439	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-55.8	141.5	171.4	-72.8	-70.7	0	0	0	110.1	V29 S87	Y25-V29 HydrophobicContact CD1-CB 4.42Å; Y25-V29 HydrophobicContact CD1-CG1 3.7Å; Y25-V29 HydrophobicContact CE1-CG1 4.39Å; Y25-V29 HydrophobicContact CG-CG1 4.16Å; Y25-S87 WeakPolarHBondContact CE1-OG 3.44Å
26	H	93.9	Very high	81.6	Confident	38 Å²	38	90 Å²	90	18%	0.176	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.8	173.3	-174	-110.2	0	0	0	110	T24 N28 V29 I30 L119 R120	T24-H26 PolarHBondContact O-N 3.47Å; H26-N28 PolarHBondContact CE1-OD1 3.09Å; H26-N28 PolarHBondContact ND1-N 3.11Å; H26-N28 PolarHBondContact O-N 2.83Å; H26-V29 WeakPolarHBondContact O-CA 3.38Å; H26-V29 WeakPolarHBondContact O-CB 3.3Å; H26-V29 PolarHBondContact O-N 3.12Å; H26-I30 PolarHBondContact O-N 3.22Å; H26-I30 VanDerWaalsContact O-N 3.11Å; H26-L119 WeakPolarHBondContact CB-O 3.47Å; H26-R120 HydrophobicContact CB-CB 4.11Å; H26-R120 WeakPolarHBondContact NE2-CD 3.42Å; H26-R120 PolarHBondContact NE2-NH1 2.94Å
27	K	95.6	Very high	83.3	Confident	147 Å²	147	87.7 Å²	87.7	64%	0.639	50%	0.498	S	S	*	.	H	α-helix	trans	-52.2	-33.5	-178.4	65.9	178.5	-175.4	171.8	0	113.8	I30 D31	K27-I30 PolarHBondContact O-N 2.9Å; K27-D31 WeakPolarHBondContact O-CB 3.41Å; K27-D31 PolarHBondContact O-N 3.44Å
28	N	96	Very high	85	Confident	38 Å²	38	85 Å²	85	20%	0.203	47%	0.471	C	S	.	.	H	α-helix	trans	-67.7	-39.9	177.7	-64.4	7.8	0	0	0	110.9	H26 I30 D31 H32 E118 L119	H26-N28 PolarHBondContact CE1-OD1 3.09Å; H26-N28 PolarHBondContact ND1-N 3.11Å; H26-N28 PolarHBondContact O-N 2.83Å; N28-I30 VanDerWaalsContact C-N 3.33Å; N28-D31 PolarHBondContact O-N 2.85Å; N28-H32 PolarHBondContact O-CD2 2.89Å; N28-H32 VanDerWaalsContact O-CD2 3.24Å; N28-H32 PolarHBondContact O-N 3.37Å; N28-H32 VanDerWaalsContact O-N 3.09Å; N28-E118 PolarHBondContact ND2-O 3.47Å; N28-E118 PolarHBondContact ND2-OE1 3.02Å; N28-L119 HydrophobicContact CB-CD2 4.15Å
29	V	96.9	Very high	86.6	Confident	4 Å²	4	83.6 Å²	83.6	2%	0.024	46%	0.457	C	S	.	.	H	α-helix	trans	-63.1	-43.9	174.6	175.8	0	0	0	0	110.3	Y25 H26 Y33 A90 L119 L121	Y25-V29 HydrophobicContact CD1-CB 4.42Å; Y25-V29 HydrophobicContact CD1-CG1 3.7Å; Y25-V29 HydrophobicContact CE1-CG1 4.39Å; Y25-V29 HydrophobicContact CG-CG1 4.16Å; H26-V29 WeakPolarHBondContact O-CA 3.38Å; H26-V29 WeakPolarHBondContact O-CB 3.3Å; H26-V29 PolarHBondContact O-N 3.12Å; V29-Y33 VanDerWaalsContact O-CB 3.22Å; V29-Y33 WeakPolarHBondContact O-CB 3.3Å; V29-Y33 PolarHBondContact O-N 3.2Å; V29-A90 HydrophobicContact CB-CB 4.32Å; V29-A90 HydrophobicContact CG1-CB 3.93Å; V29-L119 HydrophobicContact CG2-CB 3.92Å; V29-L119 HydrophobicContact CG2-CD2 4.29Å; V29-L119 WeakPolarHBondContact CG2-O 3.3Å; V29-L121 HydrophobicContact CG2-CD2 3.91Å
30	I	96.3	Very high	88.6	Confident	67 Å²	67	77 Å²	77	34%	0.344	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-47.6	178.8	-61.5	173.4	0	0	0	110.3	H26 K27 N28 H32 Y33 D34	H26-I30 PolarHBondContact O-N 3.22Å; H26-I30 VanDerWaalsContact O-N 3.11Å; K27-I30 PolarHBondContact O-N 2.9Å; N28-I30 VanDerWaalsContact C-N 3.33Å; I30-H32 PolarHBondContact O-N 3.37Å; I30-Y33 WeakPolarHBondContact O-CB 3.45Å; I30-Y33 PolarHBondContact O-N 3.42Å; I30-D34 WeakPolarHBondContact CG2-OD2 3.43Å; I30-D34 PolarHBondContact O-N 2.99Å
31	D	97.8	Very high	90.7	Very high	63 Å²	63	74.2 Å²	74.2	34%	0.337	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-46.3	179.9	172.8	65.1	0	0	0	112.6	K27 N28 Y33 N35 R37	K27-D31 WeakPolarHBondContact O-CB 3.41Å; K27-D31 PolarHBondContact O-N 3.44Å; N28-D31 PolarHBondContact O-N 2.85Å; D31-Y33 VanDerWaalsContact C-N 3.28Å; D31-Y33 PolarHBondContact O-N 3.17Å; D31-N35 CarbonylContact O-C 3.47Å; D31-N35 WeakPolarHBondContact O-CA 3.13Å; D31-N35 WeakPolarHBondContact O-CB 3.21Å; D31-N35 PolarHBondContact O-N 3.47Å; D31-R37 VanDerWaalsContact CG-NH1 3.32Å; D31-R37 VanDerWaalsContact CG-NH2 3.3Å; D31-R37 PolarHBondContact O-NH1 3Å; D31-R37 VanDerWaalsContact O-NH1 3.1Å; D31-R37 IonicContact OD1-CZ 3.2Å; D31-R37 IonicContact OD1-NH1 3.21Å; D31-R37 IonicContact OD1-NH2 2.9Å; D31-R37 PolarHBondContact OD1-NH2 2.92Å; D31-R37 IonicContact OD2-CZ 2.95Å; D31-R37 IonicContact OD2-NH1 2.85Å; D31-R37 PolarHBondContact OD2-NH1 3.48Å; D31-R37 IonicContact OD2-NH2 3.76Å; D31-R37 PolarHBondContact OD2-NH2 2.84Å
32	H	98.1	Very high	92.6	Very high	18 Å²	18	70.1 Å²	70.1	8%	0.083	38%	0.379	C	S	.	.	H	α-helix	trans	-71.4	-20.6	175.3	-75.3	-84.5	0	0	0	114	N28 I30 P36 A90 S93 E97	N28-H32 PolarHBondContact O-CD2 2.89Å; N28-H32 VanDerWaalsContact O-CD2 3.24Å; N28-H32 PolarHBondContact O-N 3.37Å; N28-H32 VanDerWaalsContact O-N 3.09Å; I30-H32 PolarHBondContact O-N 3.37Å; H32-P36 WeakPolarHBondContact O-CA 3.39Å; H32-P36 WeakPolarHBondContact O-CB 3.45Å; H32-A90 HydrophobicContact CB-CB 3.75Å; H32-S93 WeakPolarHBondContact ND1-CB 3.4Å; H32-S93 PolarHBondContact ND1-OG 3.22Å; H32-E97 IonicContact CE1-OE2 3.69Å; H32-E97 PolarHBondContact CE1-OE2 3.5Å; H32-E97 IonicContact ND1-OE2 2.73Å; H32-E97 PolarHBondContact ND1-OE2 3.41Å
33	Y	96.9	Very high	94.5	Very high	123 Å²	123	69.2 Å²	69.2	48%	0.482	37%	0.371	S	S	.	.	H	α-helix	trans	-79.3	-46.8	175.4	176.8	-101.1	0	0	0	111.7	V29 I30 D31 P36 I89	V29-Y33 VanDerWaalsContact O-CB 3.22Å; V29-Y33 WeakPolarHBondContact O-CB 3.3Å; V29-Y33 PolarHBondContact O-N 3.2Å; I30-Y33 WeakPolarHBondContact O-CB 3.45Å; I30-Y33 PolarHBondContact O-N 3.42Å; D31-Y33 VanDerWaalsContact C-N 3.28Å; D31-Y33 PolarHBondContact O-N 3.17Å; Y33-P36 WeakPolarHBondContact O-CD 3.47Å; Y33-I89 HydrophobicContact CD2-CB 4.31Å; Y33-I89 HydrophobicContact CD2-CD1 3.9Å; Y33-I89 HydrophobicContact CD2-CG2 4.32Å; Y33-I89 HydrophobicContact CE2-CD1 3.71Å
34	D	97.1	Very high	96	Very high	102 Å²	102	71.8 Å²	71.8	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-75.9	-35.7	-179.2	-69.9	-18.3	0	0	0	111.7	I30 P36	I30-D34 WeakPolarHBondContact CG2-OD2 3.43Å; I30-D34 PolarHBondContact O-N 2.99Å; D34-P36 VanDerWaalsContact C-CD 3.46Å; D34-P36 WeakPolarHBondContact O-CD 3.44Å
35	N	97.6	Very high	96.7	Very high	95 Å²	95	74.5 Å²	74.5	51%	0.508	37%	0.366	S	S	.	.	S	Bend	trans	-123.8	63.7	180	-56.8	-67.7	0	0	0	111.1	D31 R37	D31-N35 CarbonylContact O-C 3.47Å; D31-N35 WeakPolarHBondContact O-CA 3.13Å; D31-N35 WeakPolarHBondContact O-CB 3.21Å; D31-N35 PolarHBondContact O-N 3.47Å; N35-R37 WeakPolarHBondContact O-CD 3.46Å; N35-R37 PolarHBondContact O-N 2.95Å; N35-R37 PolarHBondContact O-NE 3.32Å; N35-R37 VanDerWaalsContact O-NE 3.13Å; N35-R37 PolarHBondContact O-NH1 2.9Å
36	P	97.3	Very high	97.2	Very high	49 Å²	49	71.5 Å²	71.5	32%	0.318	36%	0.358	S	S	.	.			trans	-65.4	129.6	-176.5	29.2	-35.9	0	0	0	110.9	H32 Y33 D34 V39 F80 I89	H32-P36 WeakPolarHBondContact O-CA 3.39Å; H32-P36 WeakPolarHBondContact O-CB 3.45Å; Y33-P36 WeakPolarHBondContact O-CD 3.47Å; D34-P36 VanDerWaalsContact C-CD 3.46Å; D34-P36 WeakPolarHBondContact O-CD 3.44Å; P36-V39 HydrophobicContact CB-CG2 3.53Å; P36-V39 HydrophobicContact CG-CG2 3.55Å; P36-F80 HydrophobicContact CB-CE1 4.38Å; P36-F80 HydrophobicContact CB-CZ 4.02Å; P36-I89 HydrophobicContact CB-CG2 4.46Å
37	R	98.4	Very high	97.3	Very high	72 Å²	72	75.2 Å²	75.2	27%	0.272	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	140.6	-179.9	-71.2	83.6	-168.7	176.4	-10.6	109.6	D31 N35 V39 F80 S93 T96 E97	D31-R37 VanDerWaalsContact CG-NH1 3.32Å; D31-R37 VanDerWaalsContact CG-NH2 3.3Å; D31-R37 PolarHBondContact O-NH1 3Å; D31-R37 VanDerWaalsContact O-NH1 3.1Å; D31-R37 IonicContact OD1-CZ 3.2Å; D31-R37 IonicContact OD1-NH1 3.21Å; D31-R37 IonicContact OD1-NH2 2.9Å; D31-R37 PolarHBondContact OD1-NH2 2.92Å; D31-R37 IonicContact OD2-CZ 2.95Å; D31-R37 IonicContact OD2-NH1 2.85Å; D31-R37 PolarHBondContact OD2-NH1 3.48Å; D31-R37 IonicContact OD2-NH2 3.76Å; D31-R37 PolarHBondContact OD2-NH2 2.84Å; N35-R37 WeakPolarHBondContact O-CD 3.46Å; N35-R37 PolarHBondContact O-N 2.95Å; N35-R37 PolarHBondContact O-NE 3.32Å; N35-R37 VanDerWaalsContact O-NE 3.13Å; N35-R37 PolarHBondContact O-NH1 2.9Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-V39 PolarHBondContact O-N 3.32Å; R37-F80 WeakPolarHBondContact O-CE1 3.33Å; R37-S93 PolarHBondContact N-OG 3.13Å; R37-T96 PolarHBondContact O-OG1 3.25Å; R37-E97 VanDerWaalsContact CB-CD 3.41Å; R37-E97 HydrophobicContact CB-CG 3.74Å; R37-E97 VanDerWaalsContact CB-OE2 3.31Å; R37-E97 WeakPolarHBondContact CB-OE2 3.45Å; R37-E97 VanDerWaalsContact CD-OE2 3.26Å; R37-E97 WeakPolarHBondContact CD-OE2 3.39Å; R37-E97 HydrophobicContact CG-CG 4.32Å; R37-E97 WeakPolarHBondContact CG-OE1 3.49Å; R37-E97 WeakPolarHBondContact CG-OE2 3.47Å
38	N	98.3	Very high	97.4	Very high	33 Å²	33	71 Å²	71	18%	0.176	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	26.4	175.7	-45.6	-58.7	0	0	0	115.8	G40 A78 K79 F80 T96 E97 K100	N38-G40 PolarHBondContact O-N 3.03Å; N38-A78 VanDerWaalsContact CB-O 3.29Å; N38-A78 WeakPolarHBondContact CB-O 3.35Å; N38-K79 HydrophobicContact CB-CD 4.43Å; N38-K79 VanDerWaalsContact O-CA 3.26Å; N38-K79 WeakPolarHBondContact O-CA 3.42Å; N38-K79 WeakPolarHBondContact O-CD 3.43Å; N38-F80 PolarHBondContact O-N 2.79Å; N38-F80 VanDerWaalsContact O-N 3.09Å; N38-T96 WeakPolarHBondContact CB-OG1 3.48Å; N38-T96 PolarHBondContact ND2-OG1 3.4Å; N38-E97 WeakPolarHBondContact ND2-CG 3.48Å; N38-K100 PolarHBondContact OD1-NZ 3.11Å
39	V	98.3	Very high	97.5	Very high	83 Å²	83	69.3 Å²	69.3	50%	0.503	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-60.7	130.3	169.6	-176.6	0	0	0	0	109.4	P36 R37 F80	P36-V39 HydrophobicContact CB-CG2 3.53Å; P36-V39 HydrophobicContact CG-CG2 3.55Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-V39 PolarHBondContact O-N 3.32Å; V39-F80 HydrophobicContact CG2-CE1 3.83Å; V39-F80 HydrophobicContact CG2-CZ 3.91Å
40	G	98.2	Very high	97.6	Very high	19 Å²	19	69.1 Å²	69.1	20%	0.196	34%	0.344	C	S	.	.	S	Bend	trans	157	-159.7	177.9	0	0	0	0	0	113.6	N38 F80 K81	N38-G40 PolarHBondContact O-N 3.03Å; G40-F80 PolarHBondContact N-O 3.09Å; G40-K81 WeakPolarHBondContact O-CG 3.17Å
41	S	98.3	Very high	97.7	Very high	53 Å²	53	67.2 Å²	67.2	37%	0.371	34%	0.336	S	S	.	.			trans	-150.4	150.7	174.5	-62.9	0	0	0	0	109.4	K64 Q66 K81	S41-K64 PolarHBondContact OG-NZ 2.81Å; S41-Q66 VanDerWaalsContact CA-OE1 3.25Å; S41-K81 VanDerWaalsContact OG-CE 3.27Å; S41-K81 WeakPolarHBondContact OG-CE 3.26Å
42	L	98.4	Very high	97.8	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.157	32%	0.32	C	S	.	.			trans	-104.2	161.7	173	-61.3	171.1	0	0	0	109.1	K44 V49 Q66 K68 K79	L42-K44 PolarHBondContact O-N 2.82Å; L42-K44 VanDerWaalsContact O-N 3.12Å; L42-V49 HydrophobicContact CB-CG1 3.82Å; L42-V49 HydrophobicContact CB-CG2 4.03Å; L42-V49 HydrophobicContact CD1-CG1 4.29Å; L42-V49 HydrophobicContact CD1-CG2 4.33Å; L42-Q66 HydrophobicContact CB-CB 4.24Å; L42-Q66 HydrophobicContact CD1-CB 3.95Å; L42-Q66 HydrophobicContact CG-CB 4.28Å; L42-Q66 PolarHBondContact O-NE2 2.95Å; L42-Q66 VanDerWaalsContact O-NE2 3.09Å; L42-Q66 PolarHBondContact O-OE1 2.9Å; L42-K68 HydrophobicContact CD1-CB 3.93Å; L42-K79 HydrophobicContact CD1-CG 4.39Å; L42-K79 HydrophobicContact CD2-CG 3.87Å; L42-K79 HydrophobicContact CG-CB 4.23Å; L42-K79 HydrophobicContact CG-CG 3.77Å
43	D	98	Very high	97.7	Very high	99 Å²	99	68.8 Å²	68.8	53%	0.529	34%	0.344	S	S	.	.			trans	-66.5	113.4	175.2	-174.6	1	0	0	0	110.2	K45 D46 V49	D43-K45 PolarHBondContact O-N 3.29Å; D43-K45 WeakPolarHBondContact OD1-CB 3.45Å; D43-K45 PolarHBondContact OD1-N 3.02Å; D43-D46 HydrophobicContact CB-CB 4.34Å; D43-D46 WeakPolarHBondContact O-CB 3.37Å; D43-D46 PolarHBondContact O-N 3.04Å; D43-V49 WeakPolarHBondContact O-CB 3.2Å
44	K	95.6	Very high	97.8	Very high	148 Å²	148	64.2 Å²	64.2	64%	0.643	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.6	179	66.8	178.1	-178.4	177.5	0	113.3	L42 K146	L42-K44 PolarHBondContact O-N 2.82Å; L42-K44 VanDerWaalsContact O-N 3.12Å; K44-K146 PolarHBondContact O-NZ 2.69Å
45	K	95.7	Very high	97.7	Very high	172 Å²	172	61.8 Å²	61.8	75%	0.748	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.1	179.3	-63.3	-176.7	179.9	-179.3	0	112.6	D43 R47	D43-K45 PolarHBondContact O-N 3.29Å; D43-K45 WeakPolarHBondContact OD1-CB 3.45Å; D43-K45 PolarHBondContact OD1-N 3.02Å; K45-R47 PolarHBondContact O-N 3.28Å
46	D	97.6	Very high	97.4	Very high	48 Å²	48	59 Å²	59	26%	0.257	32%	0.319	S	S	.	.			trans	-61.7	131.6	174.6	-173.2	-11.3	0	0	0	109.4	D43 N48 V49 K146	D43-D46 HydrophobicContact CB-CB 4.34Å; D43-D46 WeakPolarHBondContact O-CB 3.37Å; D43-D46 PolarHBondContact O-N 3.04Å; D46-N48 PolarHBondContact O-N 3.25Å; D46-N48 WeakPolarHBondContact OD1-CB 3.31Å; D46-N48 PolarHBondContact OD1-N 2.96Å; D46-V49 HydrophobicContact CB-CB 4.06Å; D46-V49 HydrophobicContact CB-CG2 3.7Å; D46-V49 PolarHBondContact O-N 3.47Å; D46-K146 PolarHBondContact O-NZ 3.37Å
47	R	97	Very high	97	Very high	117 Å²	117	61.8 Å²	61.8	44%	0.442	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.4	177.9	-65.8	-171.7	65.2	120.4	20.6	111.3	K45 V49 K146 Q147	K45-R47 PolarHBondContact O-N 3.28Å; R47-V49 PolarHBondContact O-N 3.05Å; R47-K146 PolarHBondContact NH2-O 3.49Å; R47-Q147 PolarHBondContact O-NE2 3.15Å
48	N	98	Very high	96.5	Very high	59 Å²	59	63.2 Å²	63.2	32%	0.316	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.3	179.6	-68.4	-15.8	0	0	0	112.9	D46 K68 V69	D46-N48 PolarHBondContact O-N 3.25Å; D46-N48 WeakPolarHBondContact OD1-CB 3.31Å; D46-N48 PolarHBondContact OD1-N 2.96Å; N48-K68 WeakPolarHBondContact O-CA 3.41Å; N48-V69 WeakPolarHBondContact CB-O 3.43Å; N48-V69 PolarHBondContact O-N 3.32Å
49	V	98.6	Very high	95.7	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.006	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.9	179.9	172.6	0	0	0	0	111.2	L42 D43 D46 R47 Q66 I67 K68 K146	L42-V49 HydrophobicContact CB-CG1 3.82Å; L42-V49 HydrophobicContact CB-CG2 4.03Å; L42-V49 HydrophobicContact CD1-CG1 4.29Å; L42-V49 HydrophobicContact CD1-CG2 4.33Å; D43-V49 WeakPolarHBondContact O-CB 3.2Å; D46-V49 HydrophobicContact CB-CB 4.06Å; D46-V49 HydrophobicContact CB-CG2 3.7Å; D46-V49 PolarHBondContact O-N 3.47Å; R47-V49 PolarHBondContact O-N 3.05Å; V49-Q66 HydrophobicContact CG1-CB 4.43Å; V49-I67 CarbonylContact C-O 3.58Å; V49-I67 WeakPolarHBondContact CA-O 3.47Å; V49-K68 HydrophobicContact CG2-CB 4.26Å; V49-K68 HydrophobicContact CG2-CG 4.2Å; V49-K146 WeakPolarHBondContact O-CD 3.37Å; V49-K146 WeakPolarHBondContact O-CE 3.49Å; V49-K146 PolarHBondContact O-NZ 3.3Å
50	G	98.6	Very high	95.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136	167.1	0	0	0	0	0	111.2	Q66 I67 A139	G50-Q66 CarbonylContact O-C 3.58Å; G50-Q66 WeakPolarHBondContact O-CA 3.31Å; G50-I67 PolarHBondContact N-O 3.01Å; G50-I67 PolarHBondContact O-N 2.94Å; G50-A139 VanDerWaalsContact CA-O 3.31Å; G50-A139 WeakPolarHBondContact CA-O 3.43Å
51	T	98.6	Very high	95	Very high	27 Å²	27	64.4 Å²	64.4	17%	0.166	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.2	179.7	-59.2	0	0	0	0	111.5	I53 K64 Q66 D142	T51-I53 HydrophobicContact CG2-CG1 4.24Å; T51-K64 HydrophobicContact CG2-CG 4.44Å; T51-Q66 HydrophobicContact CG2-CG 3.9Å; T51-Q66 PolarHBondContact OG1-NE2 3.37Å; T51-D142 PolarHBondContact N-OD2 3.05Å; T51-D142 WeakPolarHBondContact O-CB 3.41Å
52	G	98.3	Very high	94.9	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.01	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.6	170.5	0	0	0	0	0	110.6	K64 L65	G52-K64 CarbonylContact O-C 3.57Å; G52-K64 VanDerWaalsContact O-CA 3.32Å; G52-K64 WeakPolarHBondContact O-CA 3.2Å; G52-L65 PolarHBondContact N-O 3.18Å; G52-L65 PolarHBondContact O-N 3.37Å
53	I	97.7	Very high	94.9	Very high	114 Å²	114	62 Å²	62	59%	0.585	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.1	169.1	-58.2	174.6	0	0	0	107	T51 V62 M63 K64	T51-I53 HydrophobicContact CG2-CG1 4.24Å; I53-V62 HydrophobicContact CG2-CG1 4.37Å; I53-M63 WeakPolarHBondContact CA-O 3.19Å; I53-K64 HydrophobicContact CD1-CD 4.34Å; I53-K64 HydrophobicContact CD1-CG 4.46Å; I53-K64 HydrophobicContact CG1-CB 4.15Å; I53-K64 HydrophobicContact CG1-CD 4.28Å; I53-K64 HydrophobicContact CG1-CG 3.86Å
54	V	97.7	Very high	94.9	Very high	26 Å²	26	59.7 Å²	59.7	16%	0.158	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.1	-176.3	-64.1	0	0	0	0	110.7	V62 M63 L131 D134 A135 A138	V54-V62 WeakPolarHBondContact O-CA 3.29Å; V54-M63 HydrophobicContact CG2-CB 4.08Å; V54-M63 PolarHBondContact N-O 3.42Å; V54-M63 PolarHBondContact O-N 3.31Å; V54-L131 HydrophobicContact CB-CD1 3.99Å; V54-L131 HydrophobicContact CG2-CD1 3.56Å; V54-L131 HydrophobicContact CG2-CG 3.94Å; V54-L131 WeakPolarHBondContact CG2-O 3.38Å; V54-D134 HydrophobicContact CB-CB 4.42Å; V54-D134 HydrophobicContact CG1-CB 4.13Å; V54-D134 HydrophobicContact CG2-CB 4.38Å; V54-A135 HydrophobicContact CG2-CB 3.62Å; V54-A138 HydrophobicContact CG1-CB 3.97Å
55	G	95.3	Very high	95.1	Very high	52 Å²	52	52.7 Å²	52.7	54%	0.536	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92	-175.6	-176.3	0	0	0	0	0	112.8	D61	G55-D61 CarbonylContact C-O 3.51Å; G55-D61 WeakPolarHBondContact CA-O 3.26Å
56	A	90.6	Very high	95.2	Very high	37 Å²	37	44.7 Å²	44.7	31%	0.306	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.3	-177.2	0	0	0	0	0	109.6	A58 C59 D61	A56-A58 PolarHBondContact O-N 2.8Å; A56-A58 VanDerWaalsContact O-N 3.11Å; A56-C59 PolarHBondContact O-N 3.01Å; A56-D61 PolarHBondContact N-O 3.42Å
57	P	89.2	Confident	95.3	Very high	106 Å²	106	42.5 Å²	42.5	69%	0.688	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54.3	-33.7	177	-25.7	32.4	0	0	0	113.4	C59 G60 V62	P57-C59 PolarHBondContact O-N 2.77Å; P57-G60 PolarHBondContact O-N 2.84Å; P57-G60 VanDerWaalsContact O-N 3.14Å; P57-V62 HydrophobicContact CB-CG2 4.39Å; P57-V62 HydrophobicContact CG-CG2 3.86Å
58	A	87.9	Confident	95.3	Very high	103 Å²	103	40.7 Å²	40.7	85%	0.851	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-63.2	-25.3	178.4	0	0	0	0	0	113.8	A56	A56-A58 PolarHBondContact O-N 2.8Å; A56-A58 VanDerWaalsContact O-N 3.11Å
59	C	82.3	Confident	95.4	Very high	109 Å²	109	37.9 Å²	37.9	74%	0.736	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-93.9	-5.5	178.8	-59.7	0	0	0	0	112.9	A56 P57	A56-C59 PolarHBondContact O-N 3.01Å; P57-C59 PolarHBondContact O-N 2.77Å
60	G	88.6	Confident	95.3	Very high	32 Å²	32	39.9 Å²	39.9	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-7	179	0	0	0	0	0	115.4	P57 G84	P57-G60 PolarHBondContact O-N 2.84Å; P57-G60 VanDerWaalsContact O-N 3.14Å; G60-G84 WeakPolarHBondContact O-CA 3.35Å
61	D	92.8	Very high	95.1	Very high	18 Å²	18	49.1 Å²	49.1	10%	0.096	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	178	-65.1	-40.3	0	0	0	112.1	G55 A56 F83 G84 C85 H127 L131	G55-D61 CarbonylContact C-O 3.51Å; G55-D61 WeakPolarHBondContact CA-O 3.26Å; A56-D61 PolarHBondContact N-O 3.42Å; D61-F83 CarbonylContact C-O 3.55Å; D61-F83 VanDerWaalsContact CA-O 3.26Å; D61-F83 WeakPolarHBondContact CA-O 3.33Å; D61-G84 WeakPolarHBondContact OD1-CA 3.45Å; D61-C85 PolarHBondContact OD1-N 3.41Å; D61-H127 IonicContact OD2-CD2 2.64Å; D61-H127 PolarHBondContact OD2-CD2 2.81Å; D61-H127 IonicContact OD2-NE2 3.55Å; D61-H127 PolarHBondContact OD2-NE2 2.69Å; D61-L131 HydrophobicContact CB-CD2 3.71Å
62	V	96.7	Very high	95	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	124.6	171.9	-179.1	0	0	0	0	108.5	I53 V54 P57 T82 F83	I53-V62 HydrophobicContact CG2-CG1 4.37Å; V54-V62 WeakPolarHBondContact O-CA 3.29Å; P57-V62 HydrophobicContact CB-CG2 4.39Å; P57-V62 HydrophobicContact CG-CG2 3.86Å; V62-T82 CarbonylContact O-C 3.59Å; V62-T82 VanDerWaalsContact O-CA 3.3Å; V62-T82 WeakPolarHBondContact O-CA 3.48Å; V62-F83 HydrophobicContact CB-CB 4.49Å; V62-F83 PolarHBondContact N-O 3.21Å; V62-F83 PolarHBondContact O-N 2.74Å
63	M	98	Very high	94.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	179.9	-173.8	176.6	-42.3	0	0	110.3	I53 V54 T82 S92 L131 A132 A135	I53-M63 WeakPolarHBondContact CA-O 3.19Å; V54-M63 HydrophobicContact CG2-CB 4.08Å; V54-M63 PolarHBondContact N-O 3.42Å; V54-M63 PolarHBondContact O-N 3.31Å; M63-T82 HydrophobicContact CB-CG2 4.45Å; M63-T82 WeakPolarHBondContact CG-OG1 3.2Å; M63-S92 WeakPolarHBondContact CE-OG 3.37Å; M63-S92 WeakPolarHBondContact CG-OG 3.41Å; M63-S92 PolarHBondContact SD-OG 2.97Å; M63-L131 HydrophobicContact CB-CD2 3.97Å; M63-L131 HydrophobicContact CB-CG 4.09Å; M63-L131 HydrophobicContact CE-CB 4.13Å; M63-L131 HydrophobicContact CE-CD2 3.99Å; M63-L131 HydrophobicContact CE-CG 3.94Å; M63-A132 HydrophobicContact CE-CB 3.9Å; M63-A132 HydrophobicContact SD-CB 4.18Å; M63-A135 HydrophobicContact CB-CB 4.45Å; M63-A135 HydrophobicContact CG-CB 3.93Å; M63-A135 HydrophobicContact SD-CB 3.55Å; M63-A135 VanDerWaalsContact SD-CB 3.55Å
64	K	98.3	Very high	94.9	Very high	50 Å²	50	55.4 Å²	55.4	22%	0.217	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.6	164.6	-179	178.5	74.3	165.3	0	108.9	S41 T51 G52 I53 Q66 F80 K81	S41-K64 PolarHBondContact OG-NZ 2.81Å; T51-K64 HydrophobicContact CG2-CG 4.44Å; G52-K64 CarbonylContact O-C 3.57Å; G52-K64 VanDerWaalsContact O-CA 3.32Å; G52-K64 WeakPolarHBondContact O-CA 3.2Å; I53-K64 HydrophobicContact CD1-CD 4.34Å; I53-K64 HydrophobicContact CD1-CG 4.46Å; I53-K64 HydrophobicContact CG1-CB 4.15Å; I53-K64 HydrophobicContact CG1-CD 4.28Å; I53-K64 HydrophobicContact CG1-CG 3.86Å; K64-Q66 HydrophobicContact CG-CG 4.28Å; K64-F80 CarbonylContact O-C 3.49Å; K64-F80 WeakPolarHBondContact O-CA 3.47Å; K64-F80 WeakPolarHBondContact O-CB 3.47Å; K64-K81 PolarHBondContact N-O 3.17Å; K64-K81 PolarHBondContact O-N 2.96Å
65	L	98.7	Very high	94.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	173	-171	150	0	0	0	109	G52 I67 A95 T96 A135 I136 A139	G52-L65 PolarHBondContact N-O 3.18Å; G52-L65 PolarHBondContact O-N 3.37Å; L65-I67 HydrophobicContact CD2-CG2 3.75Å; L65-A95 HydrophobicContact CD1-CB 4.17Å; L65-T96 HydrophobicContact CD1-CG2 3.93Å; L65-T96 HydrophobicContact CG-CG2 4.08Å; L65-A135 HydrophobicContact CB-CB 3.85Å; L65-A135 HydrophobicContact CD1-CB 4.46Å; L65-I136 HydrophobicContact CD1-CG1 3.95Å; L65-A139 HydrophobicContact CD2-CB 3.84Å
66	Q	98.8	Very high	95.1	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.5	177.7	-60.1	-176.8	-82	0	0	109.6	S41 L42 V49 G50 T51 K64 A78 K79	S41-Q66 VanDerWaalsContact CA-OE1 3.25Å; L42-Q66 HydrophobicContact CB-CB 4.24Å; L42-Q66 HydrophobicContact CD1-CB 3.95Å; L42-Q66 HydrophobicContact CG-CB 4.28Å; L42-Q66 PolarHBondContact O-NE2 2.95Å; L42-Q66 VanDerWaalsContact O-NE2 3.09Å; L42-Q66 PolarHBondContact O-OE1 2.9Å; V49-Q66 HydrophobicContact CG1-CB 4.43Å; G50-Q66 CarbonylContact O-C 3.58Å; G50-Q66 WeakPolarHBondContact O-CA 3.31Å; T51-Q66 HydrophobicContact CG2-CG 3.9Å; T51-Q66 PolarHBondContact OG1-NE2 3.37Å; K64-Q66 HydrophobicContact CG-CG 4.28Å; Q66-A78 CarbonylContact O-C 3.51Å; Q66-A78 WeakPolarHBondContact O-CA 3.4Å; Q66-K79 PolarHBondContact N-O 3.44Å; Q66-K79 PolarHBondContact O-N 3.09Å
67	I	98.8	Very high	95.4	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.7	175.2	60.1	177.8	0	0	0	109.2	V49 G50 L65 V69 I75 D77 A78 V99 L104 A139 L140	V49-I67 CarbonylContact C-O 3.58Å; V49-I67 WeakPolarHBondContact CA-O 3.47Å; G50-I67 PolarHBondContact N-O 3.01Å; G50-I67 PolarHBondContact O-N 2.94Å; L65-I67 HydrophobicContact CD2-CG2 3.75Å; I67-V69 HydrophobicContact CD1-CG2 4.31Å; I67-V69 HydrophobicContact CG1-CG2 4.43Å; I67-I75 HydrophobicContact CB-CG2 4.03Å; I67-I75 HydrophobicContact CD1-CD1 4.2Å; I67-I75 HydrophobicContact CD1-CG1 4.45Å; I67-I75 HydrophobicContact CG2-CD1 4.31Å; I67-I75 HydrophobicContact CG2-CG2 4.16Å; I67-D77 CarbonylContact C-O 3.55Å; I67-D77 WeakPolarHBondContact CA-O 3.42Å; I67-A78 HydrophobicContact CG2-CB 4.34Å; I67-V99 HydrophobicContact CG2-CG2 4.18Å; I67-L104 HydrophobicContact CD1-CD2 4.48Å; I67-A139 HydrophobicContact CD1-CB 4.4Å; I67-A139 HydrophobicContact CG1-CB 4.26Å; I67-L140 HydrophobicContact CD1-CD2 3.54Å; I67-L140 HydrophobicContact CD1-CG 4.18Å
68	K	98.7	Very high	95.9	Very high	79 Å²	79	50.3 Å²	50.3	34%	0.343	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.2	168.5	-172.3	172.8	-175.3	174.3	0	108.8	L42 N48 V49 I75 V76 D77	L42-K68 HydrophobicContact CD1-CB 3.93Å; N48-K68 WeakPolarHBondContact O-CA 3.41Å; V49-K68 HydrophobicContact CG2-CB 4.26Å; V49-K68 HydrophobicContact CG2-CG 4.2Å; K68-I75 CarbonylContact O-C 3.6Å; K68-I75 WeakPolarHBondContact O-CA 3.41Å; K68-V76 HydrophobicContact CB-CG2 4.23Å; K68-V76 HydrophobicContact CD-CG2 4.38Å; K68-V76 HydrophobicContact CG-CG2 4.04Å; K68-V76 WeakPolarHBondContact O-CG2 3.09Å; K68-V76 PolarHBondContact O-N 3.35Å; K68-D77 HydrophobicContact CB-CB 4.22Å; K68-D77 PolarHBondContact N-O 3.24Å; K68-D77 PolarHBondContact O-N 2.96Å
69	V	98.6	Very high	96.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.8	-176.1	-167.2	0	0	0	0	109.1	N48 I67 K74 I75 L104 Y143	N48-V69 WeakPolarHBondContact CB-O 3.43Å; N48-V69 PolarHBondContact O-N 3.32Å; I67-V69 HydrophobicContact CD1-CG2 4.31Å; I67-V69 HydrophobicContact CG1-CG2 4.43Å; V69-K74 CarbonylContact C-O 3.48Å; V69-K74 VanDerWaalsContact CA-O 3.3Å; V69-K74 WeakPolarHBondContact CA-O 3.39Å; V69-I75 HydrophobicContact CG2-CG1 4.46Å; V69-L104 HydrophobicContact CG1-CD2 4.14Å; V69-L104 HydrophobicContact CG2-CD2 3.82Å; V69-Y143 HydrophobicContact CB-CD2 4.12Å; V69-Y143 HydrophobicContact CB-CE1 4.43Å; V69-Y143 HydrophobicContact CB-CE2 3.52Å; V69-Y143 HydrophobicContact CG1-CE1 4.31Å; V69-Y143 HydrophobicContact CG1-CE2 4.17Å; V69-Y143 HydrophobicContact CG2-CD1 4.25Å; V69-Y143 HydrophobicContact CG2-CD2 3.65Å; V69-Y143 HydrophobicContact CG2-CE1 4.22Å; V69-Y143 HydrophobicContact CG2-CE2 3.58Å; V69-Y143 HydrophobicContact CG2-CG 3.97Å
70	D	97.6	Very high	97.2	Very high	42 Å²	42	42.9 Å²	42.9	23%	0.225	23%	0.225	C	C	.	.			trans	-84.9	178.2	172.9	69.8	12	0	0	0	112.5	N72 G73 K74 V76	D70-N72 PolarHBondContact O-N 3.05Å; D70-N72 WeakPolarHBondContact OD1-CA 3.34Å; D70-N72 WeakPolarHBondContact OD1-CB 3.27Å; D70-N72 PolarHBondContact OD1-N 2.87Å; D70-G73 PolarHBondContact O-N 2.73Å; D70-G73 VanDerWaalsContact O-N 3.09Å; D70-G73 PolarHBondContact OD1-N 3.37Å; D70-G73 VanDerWaalsContact OD1-N 3.08Å; D70-K74 PolarHBondContact N-O 3.42Å; D70-K74 PolarHBondContact OD1-N 2.88Å; D70-V76 HydrophobicContact CB-CG1 3.71Å
71	E	94.9	Very high	97.6	Very high	194 Å²	194	46.7 Å²	46.7	91%	0.907	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.9	179	-61.2	176.5	179.7	0	0	113.2	G73	E71-G73 VanDerWaalsContact C-N 3.33Å
72	N	95.2	Very high	97.9	Very high	139 Å²	139	47.1 Å²	47.1	74%	0.743	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	2.3	177.8	-58.5	-58.1	0	0	0	112.7	D70	D70-N72 PolarHBondContact O-N 3.05Å; D70-N72 WeakPolarHBondContact OD1-CA 3.34Å; D70-N72 WeakPolarHBondContact OD1-CB 3.27Å; D70-N72 PolarHBondContact OD1-N 2.87Å
73	G	95.4	Very high	97.8	Very high	21 Å²	21	52.1 Å²	52.1	22%	0.216	26%	0.255	C	S	.	.	S	Bend	trans	77.1	20.1	-178.5	0	0	0	0	0	114.4	D70 E71 L104	D70-G73 PolarHBondContact O-N 2.73Å; D70-G73 VanDerWaalsContact O-N 3.09Å; D70-G73 PolarHBondContact OD1-N 3.37Å; D70-G73 VanDerWaalsContact OD1-N 3.08Å; E71-G73 VanDerWaalsContact C-N 3.33Å; G73-L104 PolarHBondContact O-N 3.12Å
74	K	98.2	Very high	97.7	Very high	115 Å²	115	53.2 Å²	53.2	50%	0.5	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-99.7	141.8	175.6	-64.5	-166.9	177.4	-166.9	0	111.7	V69 D70 V76	V69-K74 CarbonylContact C-O 3.48Å; V69-K74 VanDerWaalsContact CA-O 3.3Å; V69-K74 WeakPolarHBondContact CA-O 3.39Å; D70-K74 PolarHBondContact N-O 3.42Å; D70-K74 PolarHBondContact OD1-N 2.88Å; K74-V76 PolarHBondContact O-N 3.1Å
75	I	98.6	Very high	97.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	103.6	175.8	-61	170.1	0	0	0	108.8	I67 K68 V69 D77 V99 G101 K102 L104 A107 L140	I67-I75 HydrophobicContact CB-CG2 4.03Å; I67-I75 HydrophobicContact CD1-CD1 4.2Å; I67-I75 HydrophobicContact CD1-CG1 4.45Å; I67-I75 HydrophobicContact CG2-CD1 4.31Å; I67-I75 HydrophobicContact CG2-CG2 4.16Å; K68-I75 CarbonylContact O-C 3.6Å; K68-I75 WeakPolarHBondContact O-CA 3.41Å; V69-I75 HydrophobicContact CG2-CG1 4.46Å; I75-D77 WeakPolarHBondContact CG2-O 3.36Å; I75-V99 WeakPolarHBondContact CB-O 3.49Å; I75-V99 HydrophobicContact CD1-CB 4.08Å; I75-G101 WeakPolarHBondContact O-CA 2.95Å; I75-G101 PolarHBondContact O-N 2.98Å; I75-K102 PolarHBondContact N-O 3.47Å; I75-L104 HydrophobicContact CG1-CD2 4.29Å; I75-A107 HydrophobicContact CD1-CB 3.57Å; I75-L140 HydrophobicContact CD1-CD2 4.41Å
76	V	98.5	Very high	97.2	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.455	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-26	-178.2	-69.2	0	0	0	0	113.3	K68 D70 K74	K68-V76 HydrophobicContact CB-CG2 4.23Å; K68-V76 HydrophobicContact CD-CG2 4.38Å; K68-V76 HydrophobicContact CG-CG2 4.04Å; K68-V76 WeakPolarHBondContact O-CG2 3.09Å; K68-V76 PolarHBondContact O-N 3.35Å; D70-V76 HydrophobicContact CB-CG1 3.71Å; K74-V76 PolarHBondContact O-N 3.1Å
77	D	98.5	Very high	97.1	Very high	37 Å²	37	52.7 Å²	52.7	20%	0.198	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.8	172.3	-161.2	13.6	0	0	0	110.6	I67 K68 I75 K79 K100	I67-D77 CarbonylContact C-O 3.55Å; I67-D77 WeakPolarHBondContact CA-O 3.42Å; K68-D77 HydrophobicContact CB-CB 4.22Å; K68-D77 PolarHBondContact N-O 3.24Å; K68-D77 PolarHBondContact O-N 2.96Å; I75-D77 WeakPolarHBondContact CG2-O 3.36Å; D77-K79 IonicContact OD1-NZ 3.74Å; D77-K79 WeakPolarHBondContact OD2-CE 3.4Å; D77-K79 IonicContact OD2-NZ 3.87Å; D77-K100 VanDerWaalsContact OD1-CE 3.3Å; D77-K100 WeakPolarHBondContact OD1-CE 3.38Å; D77-K100 IonicContact OD1-NZ 2.73Å; D77-K100 PolarHBondContact OD1-NZ 2.96Å
78	A	98.7	Very high	97	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.3	174.4	0	0	0	0	0	107.5	N38 Q66 I67 T96 V99	N38-A78 VanDerWaalsContact CB-O 3.29Å; N38-A78 WeakPolarHBondContact CB-O 3.35Å; Q66-A78 CarbonylContact O-C 3.51Å; Q66-A78 WeakPolarHBondContact O-CA 3.4Å; I67-A78 HydrophobicContact CG2-CB 4.34Å; A78-T96 HydrophobicContact CB-CG2 4.26Å; A78-V99 HydrophobicContact CB-CG2 3.81Å
79	K	98.7	Very high	96.9	Very high	50 Å²	50	50.5 Å²	50.5	22%	0.217	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.4	178	-62.4	-64.8	176.1	-171.3	0	110.5	N38 L42 Q66 D77	N38-K79 HydrophobicContact CB-CD 4.43Å; N38-K79 VanDerWaalsContact O-CA 3.26Å; N38-K79 WeakPolarHBondContact O-CA 3.42Å; N38-K79 WeakPolarHBondContact O-CD 3.43Å; L42-K79 HydrophobicContact CD1-CG 4.39Å; L42-K79 HydrophobicContact CD2-CG 3.87Å; L42-K79 HydrophobicContact CG-CB 4.23Å; L42-K79 HydrophobicContact CG-CG 3.77Å; Q66-K79 PolarHBondContact N-O 3.44Å; Q66-K79 PolarHBondContact O-N 3.09Å; D77-K79 IonicContact OD1-NZ 3.74Å; D77-K79 WeakPolarHBondContact OD2-CE 3.4Å; D77-K79 IonicContact OD2-NZ 3.87Å
80	F	98.7	Very high	96.9	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.2	172.8	84.5	-81.6	0	0	0	113.8	P36 R37 N38 V39 G40 K64 T82 I89 T96	P36-F80 HydrophobicContact CB-CE1 4.38Å; P36-F80 HydrophobicContact CB-CZ 4.02Å; R37-F80 WeakPolarHBondContact O-CE1 3.33Å; N38-F80 PolarHBondContact O-N 2.79Å; N38-F80 VanDerWaalsContact O-N 3.09Å; V39-F80 HydrophobicContact CG2-CE1 3.83Å; V39-F80 HydrophobicContact CG2-CZ 3.91Å; G40-F80 PolarHBondContact N-O 3.09Å; K64-F80 CarbonylContact O-C 3.49Å; K64-F80 WeakPolarHBondContact O-CA 3.47Å; K64-F80 WeakPolarHBondContact O-CB 3.47Å; F80-T82 WeakPolarHBondContact CD2-OG1 3.37Å; F80-I89 HydrophobicContact CE2-CG2 4.44Å; F80-I89 HydrophobicContact CZ-CG2 4.34Å; F80-T96 HydrophobicContact CB-CG2 3.74Å; F80-T96 HydrophobicContact CD1-CG2 4.04Å; F80-T96 HydrophobicContact CG-CG2 4.28Å
81	K	98.1	Very high	96.9	Very high	113 Å²	113	48.4 Å²	48.4	49%	0.491	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.1	158.7	-67.2	-169.4	173.3	-177	0	108.4	G40 S41 K64	G40-K81 WeakPolarHBondContact O-CG 3.17Å; S41-K81 VanDerWaalsContact OG-CE 3.27Å; S41-K81 WeakPolarHBondContact OG-CE 3.26Å; K64-K81 PolarHBondContact N-O 3.17Å; K64-K81 PolarHBondContact O-N 2.96Å
82	T	97.5	Very high	97	Very high	27 Å²	27	39.2 Å²	39.2	17%	0.166	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.9	-178.8	-59.9	0	0	0	0	109.9	V62 M63 F80 A88 S92	V62-T82 CarbonylContact O-C 3.59Å; V62-T82 VanDerWaalsContact O-CA 3.3Å; V62-T82 WeakPolarHBondContact O-CA 3.48Å; M63-T82 HydrophobicContact CB-CG2 4.45Å; M63-T82 WeakPolarHBondContact CG-OG1 3.2Å; F80-T82 WeakPolarHBondContact CD2-OG1 3.37Å; T82-A88 HydrophobicContact CG2-CB 4.02Å; T82-S92 VanDerWaalsContact OG1-CB 3.31Å; T82-S92 WeakPolarHBondContact OG1-CB 3.17Å; T82-S92 PolarHBondContact OG1-OG 3.47Å
83	F	95.8	Very high	97.2	Very high	139 Å²	139	32.6 Å²	32.6	61%	0.61	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.2	162.5	175.4	-101.5	0	0	0	106.4	D61 V62	D61-F83 CarbonylContact C-O 3.55Å; D61-F83 VanDerWaalsContact CA-O 3.26Å; D61-F83 WeakPolarHBondContact CA-O 3.33Å; V62-F83 HydrophobicContact CB-CB 4.49Å; V62-F83 PolarHBondContact N-O 3.21Å; V62-F83 PolarHBondContact O-N 2.74Å
84	G	94.5	Very high	97.3	Very high	23 Å²	23	32 Å²	32	24%	0.237	16%	0.164	C	C	.	.	S	Bend	trans	168.9	-178.8	-174.7	0	0	0	0	0	113.1	G60 D61	G60-G84 WeakPolarHBondContact O-CA 3.35Å; D61-G84 WeakPolarHBondContact OD1-CA 3.45Å
85	C	93.7	Very high	97.3	Very high	32 Å²	32	26.5 Å²	26.5	22%	0.216	14%	0.141	C	C	.	.			trans	-67.2	167.6	176.2	69.8	0	0	0	0	112.3	D61 S87 A88 I89 K125 C128	D61-C85 PolarHBondContact OD1-N 3.41Å; C85-S87 PolarHBondContact O-N 3.04Å; C85-S87 VanDerWaalsContact O-N 3.14Å; C85-A88 WeakPolarHBondContact O-CA 3.49Å; C85-A88 WeakPolarHBondContact O-CB 3.34Å; C85-A88 PolarHBondContact O-N 3.4Å; C85-I89 PolarHBondContact O-N 2.96Å; C85-I89 VanDerWaalsContact O-N 3.12Å; C85-K125 PolarHBondContact SG-NZ 3.45Å; C85-K125 VanDerWaalsContact SG-NZ 3.37Å; C85-C128 VanDerWaalsContact SG-SG 3.62Å
86	G	94.3	Very high	97.3	Very high	11 Å²	11	26.4 Å²	26.4	11%	0.113	14%	0.14	C	C	.	.	H	α-helix	trans	-54.5	-35.8	179.8	0	0	0	0	0	113.6	A88 I89 A90	G86-A88 PolarHBondContact O-N 3.47Å; G86-I89 PolarHBondContact O-N 3.5Å; G86-A90 WeakPolarHBondContact O-CB 3.18Å; G86-A90 PolarHBondContact O-N 3.43Å
87	S	95.7	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-34	173.4	-59.4	0	0	0	0	113.6	Y25 C85 S91	Y25-S87 WeakPolarHBondContact CE1-OG 3.44Å; C85-S87 PolarHBondContact O-N 3.04Å; C85-S87 VanDerWaalsContact O-N 3.14Å; S87-S91 VanDerWaalsContact O-CB 3.31Å; S87-S91 WeakPolarHBondContact O-CB 3.33Å; S87-S91 PolarHBondContact O-N 2.92Å; S87-S91 PolarHBondContact O-OG 3.06Å
88	A	96.7	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.9	-45.6	175.8	0	0	0	0	0	110.6	T82 C85 G86 A90 S91 S92 C128	T82-A88 HydrophobicContact CG2-CB 4.02Å; C85-A88 WeakPolarHBondContact O-CA 3.49Å; C85-A88 WeakPolarHBondContact O-CB 3.34Å; C85-A88 PolarHBondContact O-N 3.4Å; G86-A88 PolarHBondContact O-N 3.47Å; A88-A90 PolarHBondContact O-N 2.95Å; A88-S91 PolarHBondContact O-N 2.85Å; A88-S92 PolarHBondContact O-N 3.41Å; A88-S92 PolarHBondContact O-OG 2.76Å; A88-C128 HydrophobicContact CB-CB 4.4Å
89	I	97.2	Very high	97.3	Very high	34 Å²	34	28 Å²	28	17%	0.174	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-47.1	175.4	-66.4	164.9	0	0	0	110.5	Y33 P36 F80 C85 G86 S91 S92 S93	Y33-I89 HydrophobicContact CD2-CB 4.31Å; Y33-I89 HydrophobicContact CD2-CD1 3.9Å; Y33-I89 HydrophobicContact CD2-CG2 4.32Å; Y33-I89 HydrophobicContact CE2-CD1 3.71Å; P36-I89 HydrophobicContact CB-CG2 4.46Å; F80-I89 HydrophobicContact CE2-CG2 4.44Å; F80-I89 HydrophobicContact CZ-CG2 4.34Å; C85-I89 PolarHBondContact O-N 2.96Å; C85-I89 VanDerWaalsContact O-N 3.12Å; G86-I89 PolarHBondContact O-N 3.5Å; I89-S91 PolarHBondContact O-N 2.9Å; I89-S92 PolarHBondContact O-N 3.01Å; I89-S93 PolarHBondContact O-N 3.45Å
90	A	97.9	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-43.3	178	0	0	0	0	0	112.5	V29 H32 G86 A88 S92 S93 L94 L119	V29-A90 HydrophobicContact CB-CB 4.32Å; V29-A90 HydrophobicContact CG1-CB 3.93Å; H32-A90 HydrophobicContact CB-CB 3.75Å; G86-A90 WeakPolarHBondContact O-CB 3.18Å; G86-A90 PolarHBondContact O-N 3.43Å; A88-A90 PolarHBondContact O-N 2.95Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-S92 PolarHBondContact O-N 2.94Å; A90-S93 PolarHBondContact O-N 3.33Å; A90-L94 WeakPolarHBondContact O-CB 3.37Å; A90-L94 PolarHBondContact O-N 2.64Å; A90-L119 HydrophobicContact CB-CD1 4Å; A90-L119 HydrophobicContact CB-CD2 4.22Å
91	S	97.9	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-41.6	177.4	-58.3	0	0	0	0	111.7	S87 A88 I89 A95 L119	S87-S91 VanDerWaalsContact O-CB 3.31Å; S87-S91 WeakPolarHBondContact O-CB 3.33Å; S87-S91 PolarHBondContact O-N 2.92Å; S87-S91 PolarHBondContact O-OG 3.06Å; A88-S91 PolarHBondContact O-N 2.85Å; I89-S91 PolarHBondContact O-N 2.9Å; S91-A95 WeakPolarHBondContact O-CB 3.47Å; S91-A95 PolarHBondContact O-N 3.39Å; S91-L119 WeakPolarHBondContact OG-CD1 3.48Å
92	S	98	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-44.5	175.9	-52.2	0	0	0	0	112.9	M63 T82 A88 I89 A90 A95 T96	M63-S92 WeakPolarHBondContact CE-OG 3.37Å; M63-S92 WeakPolarHBondContact CG-OG 3.41Å; M63-S92 PolarHBondContact SD-OG 2.97Å; T82-S92 VanDerWaalsContact OG1-CB 3.31Å; T82-S92 WeakPolarHBondContact OG1-CB 3.17Å; T82-S92 PolarHBondContact OG1-OG 3.47Å; A88-S92 PolarHBondContact O-N 3.41Å; A88-S92 PolarHBondContact O-OG 2.76Å; I89-S92 PolarHBondContact O-N 3.01Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-S92 PolarHBondContact O-N 2.94Å; S92-A95 PolarHBondContact O-N 3.05Å; S92-T96 WeakPolarHBondContact O-CG2 3.41Å; S92-T96 PolarHBondContact O-N 2.86Å; S92-T96 PolarHBondContact O-OG1 3.27Å
93	S	98.5	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-53.4	177	-179.7	0	0	0	0	110.1	H32 R37 I89 A90 A95 T96 E97	H32-S93 WeakPolarHBondContact ND1-CB 3.4Å; H32-S93 PolarHBondContact ND1-OG 3.22Å; R37-S93 PolarHBondContact N-OG 3.13Å; I89-S93 PolarHBondContact O-N 3.45Å; A90-S93 PolarHBondContact O-N 3.33Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 3.34Å; S93-T96 PolarHBondContact O-N 2.95Å; S93-T96 PolarHBondContact O-OG1 2.81Å; S93-E97 PolarHBondContact O-N 2.88Å
94	L	98.5	Very high	97.4	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-44.7	-179.8	-177.1	65.1	0	0	0	111.7	A90 T96 E97 W98 I115 E118 L119	A90-L94 WeakPolarHBondContact O-CB 3.37Å; A90-L94 PolarHBondContact O-N 2.64Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.49Å; L94-E97 PolarHBondContact O-N 3.29Å; L94-W98 HydrophobicContact CD1-CD2 4.34Å; L94-W98 HydrophobicContact CD1-CG 4.46Å; L94-W98 HydrophobicContact CD1-CZ2 4.1Å; L94-W98 VanDerWaalsContact CD1-NE1 3.3Å; L94-W98 HydrophobicContact CD2-CH2 4.19Å; L94-W98 HydrophobicContact CD2-CZ2 3.89Å; L94-W98 HydrophobicContact CG-CD2 4.14Å; L94-W98 HydrophobicContact CG-CG 4.49Å; L94-W98 HydrophobicContact CG-CZ2 4.13Å; L94-W98 PolarHBondContact O-N 3.5Å; L94-I115 HydrophobicContact CD2-CG2 4.32Å; L94-E118 HydrophobicContact CD1-CG 4.26Å; L94-E118 HydrophobicContact CD2-CB 3.77Å; L94-E118 HydrophobicContact CD2-CG 3.66Å; L94-L119 HydrophobicContact CD2-CD1 4.26Å; L94-L119 HydrophobicContact CD2-CD2 4.06Å; L94-L119 HydrophobicContact CD2-CG 3.8Å
95	A	98.4	Very high	97.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-46	177.2	0	0	0	0	0	111.9	L65 S91 S92 S93 E97 W98 V99 I115 A132 I136	L65-A95 HydrophobicContact CD1-CB 4.17Å; S91-A95 WeakPolarHBondContact O-CB 3.47Å; S91-A95 PolarHBondContact O-N 3.39Å; S92-A95 PolarHBondContact O-N 3.05Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 3.34Å; A95-E97 VanDerWaalsContact C-N 3.34Å; A95-E97 PolarHBondContact O-N 2.99Å; A95-W98 PolarHBondContact O-N 2.86Å; A95-V99 WeakPolarHBondContact O-CG2 3.32Å; A95-V99 PolarHBondContact O-N 3.45Å; A95-I115 HydrophobicContact CB-CD1 4.33Å; A95-A132 HydrophobicContact CB-CB 4.23Å; A95-I136 HydrophobicContact CB-CD1 3.89Å; A95-I136 HydrophobicContact CB-CG1 4.39Å
96	T	98.6	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-33.9	178.4	58.9	0	0	0	0	114	R37 N38 L65 A78 F80 S92 S93 L94 K100	R37-T96 PolarHBondContact O-OG1 3.25Å; N38-T96 WeakPolarHBondContact CB-OG1 3.48Å; N38-T96 PolarHBondContact ND2-OG1 3.4Å; L65-T96 HydrophobicContact CD1-CG2 3.93Å; L65-T96 HydrophobicContact CG-CG2 4.08Å; A78-T96 HydrophobicContact CB-CG2 4.26Å; F80-T96 HydrophobicContact CB-CG2 3.74Å; F80-T96 HydrophobicContact CD1-CG2 4.04Å; F80-T96 HydrophobicContact CG-CG2 4.28Å; S92-T96 WeakPolarHBondContact O-CG2 3.41Å; S92-T96 PolarHBondContact O-N 2.86Å; S92-T96 PolarHBondContact O-OG1 3.27Å; S93-T96 PolarHBondContact O-N 2.95Å; S93-T96 PolarHBondContact O-OG1 2.81Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.49Å; T96-K100 PolarHBondContact O-N 2.84Å
97	E	98.4	Very high	97.9	Very high	73 Å²	73	29.8 Å²	29.8	34%	0.341	16%	0.162	S	C	.	.	H	α-helix	trans	-68.8	-43.7	174.6	-73.7	178.7	91.9	0	0	111.2	H32 R37 N38 S93 L94 A95 K100	H32-E97 IonicContact CE1-OE2 3.69Å; H32-E97 PolarHBondContact CE1-OE2 3.5Å; H32-E97 IonicContact ND1-OE2 2.73Å; H32-E97 PolarHBondContact ND1-OE2 3.41Å; R37-E97 VanDerWaalsContact CB-CD 3.41Å; R37-E97 HydrophobicContact CB-CG 3.74Å; R37-E97 VanDerWaalsContact CB-OE2 3.31Å; R37-E97 WeakPolarHBondContact CB-OE2 3.45Å; R37-E97 VanDerWaalsContact CD-OE2 3.26Å; R37-E97 WeakPolarHBondContact CD-OE2 3.39Å; R37-E97 HydrophobicContact CG-CG 4.32Å; R37-E97 WeakPolarHBondContact CG-OE1 3.49Å; R37-E97 WeakPolarHBondContact CG-OE2 3.47Å; N38-E97 WeakPolarHBondContact ND2-CG 3.48Å; S93-E97 PolarHBondContact O-N 2.88Å; L94-E97 PolarHBondContact O-N 3.29Å; A95-E97 VanDerWaalsContact C-N 3.34Å; A95-E97 PolarHBondContact O-N 2.99Å; E97-K100 PolarHBondContact O-N 3.06Å
98	W	98.2	Very high	98.1	Very high	72 Å²	72	31.3 Å²	31.3	27%	0.273	18%	0.175	S	C	.	.	H	α-helix	trans	-66.2	-38	-179.5	-76.9	7.2	0	0	0	113.6	L94 A95 K100 K102 V110 Q114 I115 E118	L94-W98 HydrophobicContact CD1-CD2 4.34Å; L94-W98 HydrophobicContact CD1-CG 4.46Å; L94-W98 HydrophobicContact CD1-CZ2 4.1Å; L94-W98 VanDerWaalsContact CD1-NE1 3.3Å; L94-W98 HydrophobicContact CD2-CH2 4.19Å; L94-W98 HydrophobicContact CD2-CZ2 3.89Å; L94-W98 HydrophobicContact CG-CD2 4.14Å; L94-W98 HydrophobicContact CG-CG 4.49Å; L94-W98 HydrophobicContact CG-CZ2 4.13Å; L94-W98 PolarHBondContact O-N 3.5Å; A95-W98 PolarHBondContact O-N 2.86Å; W98-K100 VanDerWaalsContact C-N 3.33Å; W98-K102 WeakPolarHBondContact O-CD 3.22Å; W98-K102 WeakPolarHBondContact O-CE 3.36Å; W98-K102 WeakPolarHBondContact O-CG 3.5Å; W98-V110 HydrophobicContact CE3-CG1 3.94Å; W98-V110 HydrophobicContact CZ3-CG1 4.39Å; W98-Q114 HydrophobicContact CH2-CB 3.91Å; W98-Q114 HydrophobicContact CZ3-CB 3.65Å; W98-I115 HydrophobicContact CE3-CG1 4.09Å; W98-I115 HydrophobicContact CZ3-CG1 3.69Å; W98-E118 HydrophobicContact CH2-CB 3.91Å; W98-E118 HydrophobicContact CH2-CG 4.4Å; W98-E118 HydrophobicContact CZ2-CB 3.81Å; W98-E118 HydrophobicContact CZ2-CG 3.78Å
99	V	98.5	Very high	98.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-76.5	-22.2	179.6	-63.1	0	0	0	0	113	I67 I75 A78 A95 G101 K102 A107 I136	I67-V99 HydrophobicContact CG2-CG2 4.18Å; I75-V99 WeakPolarHBondContact CB-O 3.49Å; I75-V99 HydrophobicContact CD1-CB 4.08Å; A78-V99 HydrophobicContact CB-CG2 3.81Å; A95-V99 WeakPolarHBondContact O-CG2 3.32Å; A95-V99 PolarHBondContact O-N 3.45Å; V99-G101 PolarHBondContact O-N 2.87Å; V99-K102 WeakPolarHBondContact O-CB 3.36Å; V99-K102 PolarHBondContact O-N 2.93Å; V99-A107 HydrophobicContact CB-CB 4.31Å; V99-A107 HydrophobicContact CG1-CB 4.05Å; V99-I136 HydrophobicContact CG1-CD1 3.88Å; V99-I136 HydrophobicContact CG1-CG1 3.96Å; V99-I136 HydrophobicContact CG1-CG2 4.06Å
100	K	98.1	Very high	98.1	Very high	71 Å²	71	34.3 Å²	34.3	31%	0.309	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	130.1	179.7	-169	174.3	-65.2	-166.6	0	110.1	N38 D77 T96 E97 W98 K102	N38-K100 PolarHBondContact OD1-NZ 3.11Å; D77-K100 VanDerWaalsContact OD1-CE 3.3Å; D77-K100 WeakPolarHBondContact OD1-CE 3.38Å; D77-K100 IonicContact OD1-NZ 2.73Å; D77-K100 PolarHBondContact OD1-NZ 2.96Å; T96-K100 PolarHBondContact O-N 2.84Å; E97-K100 PolarHBondContact O-N 3.06Å; W98-K100 VanDerWaalsContact C-N 3.33Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.33Å
101	G	98	Very high	98.1	Very high	52 Å²	52	38.5 Å²	38.5	54%	0.536	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-11.3	-176.2	0	0	0	0	0	115.2	I75 V99	I75-G101 WeakPolarHBondContact O-CA 2.95Å; I75-G101 PolarHBondContact O-N 2.98Å; V99-G101 PolarHBondContact O-N 2.87Å
102	K	98.4	Very high	98.1	Very high	68 Å²	68	40 Å²	40	30%	0.296	22%	0.221	S	C	.	.			trans	-80.3	154.8	176.2	-71.3	-174.5	-179.4	-73.1	0	111.8	I75 W98 V99 K100 E106 A107	I75-K102 PolarHBondContact N-O 3.47Å; W98-K102 WeakPolarHBondContact O-CD 3.22Å; W98-K102 WeakPolarHBondContact O-CE 3.36Å; W98-K102 WeakPolarHBondContact O-CG 3.5Å; V99-K102 WeakPolarHBondContact O-CB 3.36Å; V99-K102 PolarHBondContact O-N 2.93Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.33Å; K102-E106 WeakPolarHBondContact CA-OE2 3.2Å; K102-E106 HydrophobicContact CB-CB 3.87Å; K102-E106 HydrophobicContact CD-CB 4.12Å; K102-E106 HydrophobicContact CG-CB 4.13Å; K102-A107 HydrophobicContact CB-CB 4.41Å
103	S	98.2	Very high	98.1	Very high	29 Å²	29	45.6 Å²	45.6	20%	0.203	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-71	167.5	162.4	78.3	0	0	0	0	111.1	S105 E106 A107	S103-S105 VanDerWaalsContact C-N 3.29Å; S103-S105 PolarHBondContact O-N 3.31Å; S103-S105 PolarHBondContact OG-N 3.3Å; S103-S105 PolarHBondContact OG-OG 3.46Å; S103-E106 PolarHBondContact N-OE2 3.18Å; S103-E106 PolarHBondContact O-N 2.93Å; S103-E106 WeakPolarHBondContact OG-CG 3.46Å; S103-E106 PolarHBondContact OG-N 3.36Å; S103-E106 VanDerWaalsContact OG-N 3.17Å; S103-E106 PolarHBondContact OG-OE2 2.91Å; S103-A107 WeakPolarHBondContact O-CB 3.31Å; S103-A107 PolarHBondContact O-N 3.48Å
104	L	97.7	Very high	98	Very high	38 Å²	38	50.3 Å²	50.3	20%	0.199	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-37.9	176.1	-56.5	176.4	0	0	0	112.8	I67 V69 G73 I75 A108 L140 Y143	I67-L104 HydrophobicContact CD1-CD2 4.48Å; V69-L104 HydrophobicContact CG1-CD2 4.14Å; V69-L104 HydrophobicContact CG2-CD2 3.82Å; G73-L104 PolarHBondContact O-N 3.12Å; I75-L104 HydrophobicContact CG1-CD2 4.29Å; L104-A108 WeakPolarHBondContact O-CB 3.49Å; L104-A108 PolarHBondContact O-N 3.12Å; L104-L140 HydrophobicContact CB-CD2 4.29Å; L104-L140 HydrophobicContact CD2-CD2 3.66Å; L104-Y143 HydrophobicContact CD1-CD1 3.78Å; L104-Y143 HydrophobicContact CD1-CE1 3.42Å; L104-Y143 VanDerWaalsContact CD1-CE1 3.42Å; L104-Y143 HydrophobicContact CD2-CD1 4.19Å; L104-Y143 HydrophobicContact CD2-CE1 4.33Å
105	S	97.6	Very high	98	Very high	84 Å²	84	49.9 Å²	49.9	59%	0.587	27%	0.268	S	S	*	.	H	α-helix	trans	-71	-39	178.6	55.8	0	0	0	0	111.7	S103 A108 T109	S103-S105 VanDerWaalsContact C-N 3.29Å; S103-S105 PolarHBondContact O-N 3.31Å; S103-S105 PolarHBondContact OG-N 3.3Å; S103-S105 PolarHBondContact OG-OG 3.46Å; S105-A108 PolarHBondContact O-N 2.98Å; S105-T109 WeakPolarHBondContact O-CG2 3.39Å; S105-T109 PolarHBondContact O-N 3.38Å
106	E	98.2	Very high	97.9	Very high	95 Å²	95	50.3 Å²	50.3	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-69.2	-35.9	175	-70.4	174.7	142.4	0	0	112.5	K102 S103 A108 T109	K102-E106 WeakPolarHBondContact CA-OE2 3.2Å; K102-E106 HydrophobicContact CB-CB 3.87Å; K102-E106 HydrophobicContact CD-CB 4.12Å; K102-E106 HydrophobicContact CG-CB 4.13Å; S103-E106 PolarHBondContact N-OE2 3.18Å; S103-E106 PolarHBondContact O-N 2.93Å; S103-E106 WeakPolarHBondContact OG-CG 3.46Å; S103-E106 PolarHBondContact OG-N 3.36Å; S103-E106 VanDerWaalsContact OG-N 3.17Å; S103-E106 PolarHBondContact OG-OE2 2.91Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-T109 PolarHBondContact O-N 3.39Å; E106-T109 PolarHBondContact O-OG1 3.37Å
107	A	98.2	Very high	97.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-36.4	174.5	0	0	0	0	0	111.3	I75 V99 K102 S103 T109 V110 L140	I75-A107 HydrophobicContact CD1-CB 3.57Å; V99-A107 HydrophobicContact CB-CB 4.31Å; V99-A107 HydrophobicContact CG1-CB 4.05Å; K102-A107 HydrophobicContact CB-CB 4.41Å; S103-A107 WeakPolarHBondContact O-CB 3.31Å; S103-A107 PolarHBondContact O-N 3.48Å; A107-T109 PolarHBondContact O-N 3.48Å; A107-V110 WeakPolarHBondContact O-CB 3.47Å; A107-V110 WeakPolarHBondContact O-CG2 3.39Å; A107-V110 PolarHBondContact O-N 2.68Å; A107-L140 HydrophobicContact CB-CD1 4.18Å; A107-L140 HydrophobicContact CB-CD2 4.16Å
108	A	97.9	Very high	97.8	Very high	33 Å²	33	55.5 Å²	55.5	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-19.7	178.2	0	0	0	0	0	113.8	L104 S105 E106 Q137 L140	L104-A108 WeakPolarHBondContact O-CB 3.49Å; L104-A108 PolarHBondContact O-N 3.12Å; S105-A108 PolarHBondContact O-N 2.98Å; E106-A108 VanDerWaalsContact C-N 3.32Å; A108-Q137 PolarHBondContact O-NE2 3.41Å; A108-L140 HydrophobicContact CB-CD1 3.91Å
109	T	98.1	Very high	97.8	Very high	92 Å²	92	52 Å²	52	56%	0.564	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.8	178.9	64.5	0	0	0	0	113.2	S105 E106 A107 K111	S105-T109 WeakPolarHBondContact O-CG2 3.39Å; S105-T109 PolarHBondContact O-N 3.38Å; E106-T109 PolarHBondContact O-N 3.39Å; E106-T109 PolarHBondContact O-OG1 3.37Å; A107-T109 PolarHBondContact O-N 3.48Å; T109-K111 WeakPolarHBondContact O-CG 3.39Å; T109-K111 PolarHBondContact O-N 2.94Å
110	V	97.8	Very high	97.6	Very high	5 Å²	5	60 Å²	60	3%	0.03	32%	0.322	C	S	.	.			trans	-65.2	122	174.9	177	0	0	0	0	109.6	W98 A107 I115 I136	W98-V110 HydrophobicContact CE3-CG1 3.94Å; W98-V110 HydrophobicContact CZ3-CG1 4.39Å; A107-V110 WeakPolarHBondContact O-CB 3.47Å; A107-V110 WeakPolarHBondContact O-CG2 3.39Å; A107-V110 PolarHBondContact O-N 2.68Å; V110-I115 HydrophobicContact CG1-CD1 4.13Å; V110-I115 HydrophobicContact CG1-CG1 4.33Å; V110-I136 HydrophobicContact CB-CD1 4.17Å; V110-I136 HydrophobicContact CG1-CD1 3.84Å
111	K	97.9	Very high	97.4	Very high	87 Å²	87	57.4 Å²	57.4	38%	0.378	31%	0.312	S	S	.	.			trans	-111.2	148.4	-177.4	-64.8	-48.4	-171.6	-172.9	0	112.7	T109 Q113 Q114 I115 E133	T109-K111 WeakPolarHBondContact O-CG 3.39Å; T109-K111 PolarHBondContact O-N 2.94Å; K111-Q113 PolarHBondContact O-N 2.98Å; K111-Q113 VanDerWaalsContact O-N 3.17Å; K111-Q114 HydrophobicContact CB-CG 4.43Å; K111-Q114 WeakPolarHBondContact O-CB 3.31Å; K111-Q114 PolarHBondContact O-N 3.12Å; K111-I115 PolarHBondContact O-N 2.87Å; K111-E133 WeakPolarHBondContact CD-OE1 3.33Å; K111-E133 IonicContact NZ-OE1 3.17Å; K111-E133 PolarHBondContact NZ-OE1 3.29Å
112	N	96.9	Very high	97.2	Very high	31 Å²	31	58 Å²	58	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-35.5	176.6	68.4	80.3	0	0	0	112.4	Q114 I115 A116 S129 M130 E133	N112-Q114 VanDerWaalsContact C-N 3.28Å; N112-Q114 PolarHBondContact O-N 2.96Å; N112-I115 PolarHBondContact O-N 2.79Å; N112-A116 WeakPolarHBondContact O-CB 2.94Å; N112-A116 PolarHBondContact O-N 2.87Å; N112-S129 VanDerWaalsContact CB-C 3.5Å; N112-S129 WeakPolarHBondContact CB-O 3.41Å; N112-S129 WeakPolarHBondContact O-CB 3.45Å; N112-M130 HydrophobicContact CB-CG 4.16Å; N112-E133 HydrophobicContact CB-CB 4.23Å; N112-E133 WeakPolarHBondContact CB-OE2 3.32Å; N112-E133 PolarHBondContact N-OE2 3.06Å; N112-E133 PolarHBondContact ND2-OE2 3.31Å
113	Q	97.1	Very high	96.9	Very high	119 Å²	119	60 Å²	60	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-64	-35	179.8	-63.3	86.1	-5.6	0	0	112.1	K111 S117	K111-Q113 PolarHBondContact O-N 2.98Å; K111-Q113 VanDerWaalsContact O-N 3.17Å; Q113-S117 WeakPolarHBondContact O-CB 3.34Å; Q113-S117 PolarHBondContact O-N 2.96Å
114	Q	97.7	Very high	96.6	Very high	98 Å²	98	64.1 Å²	64.1	46%	0.458	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-47	176.3	-61.8	171.4	-58	0	0	110	W98 K111 N112 S117 E118	W98-Q114 HydrophobicContact CH2-CB 3.91Å; W98-Q114 HydrophobicContact CZ3-CB 3.65Å; K111-Q114 HydrophobicContact CB-CG 4.43Å; K111-Q114 WeakPolarHBondContact O-CB 3.31Å; K111-Q114 PolarHBondContact O-N 3.12Å; N112-Q114 VanDerWaalsContact C-N 3.28Å; N112-Q114 PolarHBondContact O-N 2.96Å; Q114-S117 PolarHBondContact O-N 2.84Å; Q114-E118 WeakPolarHBondContact O-CB 3.26Å; Q114-E118 PolarHBondContact O-N 2.95Å
115	I	97.7	Very high	96.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-47	177.5	-62.3	175	0	0	0	110.7	L94 A95 W98 V110 K111 N112 S117 E118 L119 A132	L94-I115 HydrophobicContact CD2-CG2 4.32Å; A95-I115 HydrophobicContact CB-CD1 4.33Å; W98-I115 HydrophobicContact CE3-CG1 4.09Å; W98-I115 HydrophobicContact CZ3-CG1 3.69Å; V110-I115 HydrophobicContact CG1-CD1 4.13Å; V110-I115 HydrophobicContact CG1-CG1 4.33Å; K111-I115 PolarHBondContact O-N 2.87Å; N112-I115 PolarHBondContact O-N 2.79Å; I115-S117 VanDerWaalsContact C-N 3.32Å; I115-S117 PolarHBondContact O-N 3.06Å; I115-E118 PolarHBondContact O-N 3.39Å; I115-L119 HydrophobicContact CG2-CD1 4.09Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 PolarHBondContact O-N 3.4Å; I115-A132 HydrophobicContact CD1-CB 3.74Å
116	A	97.4	Very high	96.1	Very high	9 Å²	9	64 Å²	64	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-39.8	179	0	0	0	0	0	112.3	N112 R120 L121 L126	N112-A116 WeakPolarHBondContact O-CB 2.94Å; N112-A116 PolarHBondContact O-N 2.87Å; A116-R120 WeakPolarHBondContact O-CA 3.38Å; A116-R120 PolarHBondContact O-N 3.44Å; A116-L121 HydrophobicContact CB-CB 4.44Å; A116-L121 HydrophobicContact CB-CD1 4.32Å; A116-L121 PolarHBondContact O-N 2.93Å; A116-L126 HydrophobicContact CB-CD2 3.6Å
117	S	97.4	Very high	95.8	Very high	91 Å²	91	63.3 Å²	63.3	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-47.6	177.6	-172.7	0	0	0	0	111.4	Q113 Q114 I115 L119 R120	Q113-S117 WeakPolarHBondContact O-CB 3.34Å; Q113-S117 PolarHBondContact O-N 2.96Å; Q114-S117 PolarHBondContact O-N 2.84Å; I115-S117 VanDerWaalsContact C-N 3.32Å; I115-S117 PolarHBondContact O-N 3.06Å; S117-L119 PolarHBondContact O-N 3.43Å; S117-R120 WeakPolarHBondContact O-CG 3.26Å; S117-R120 PolarHBondContact O-N 3.46Å
118	E	97.3	Very high	95.6	Very high	90 Å²	90	63.3 Å²	63.3	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-42.8	-179.8	-174.3	59.4	-141.5	0	0	112	N28 L94 W98 Q114 I115 R120	N28-E118 PolarHBondContact ND2-O 3.47Å; N28-E118 PolarHBondContact ND2-OE1 3.02Å; L94-E118 HydrophobicContact CD1-CG 4.26Å; L94-E118 HydrophobicContact CD2-CB 3.77Å; L94-E118 HydrophobicContact CD2-CG 3.66Å; W98-E118 HydrophobicContact CH2-CB 3.91Å; W98-E118 HydrophobicContact CH2-CG 4.4Å; W98-E118 HydrophobicContact CZ2-CB 3.81Å; W98-E118 HydrophobicContact CZ2-CG 3.78Å; Q114-E118 WeakPolarHBondContact O-CB 3.26Å; Q114-E118 PolarHBondContact O-N 2.95Å; I115-E118 PolarHBondContact O-N 3.39Å; E118-R120 VanDerWaalsContact C-N 3.27Å; E118-R120 PolarHBondContact O-N 3.33Å
119	L	97.1	Very high	95.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.2	177.4	-66.3	179.6	0	0	0	113.3	H26 N28 V29 A90 S91 L94 I115 S117 L121	H26-L119 WeakPolarHBondContact CB-O 3.47Å; N28-L119 HydrophobicContact CB-CD2 4.15Å; V29-L119 HydrophobicContact CG2-CB 3.92Å; V29-L119 HydrophobicContact CG2-CD2 4.29Å; V29-L119 WeakPolarHBondContact CG2-O 3.3Å; A90-L119 HydrophobicContact CB-CD1 4Å; A90-L119 HydrophobicContact CB-CD2 4.22Å; S91-L119 WeakPolarHBondContact OG-CD1 3.48Å; L94-L119 HydrophobicContact CD2-CD1 4.26Å; L94-L119 HydrophobicContact CD2-CD2 4.06Å; L94-L119 HydrophobicContact CD2-CG 3.8Å; I115-L119 HydrophobicContact CG2-CD1 4.09Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 PolarHBondContact O-N 3.4Å; S117-L119 PolarHBondContact O-N 3.43Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 HydrophobicContact CB-CD2 3.76Å; L119-L121 HydrophobicContact CB-CG 3.83Å; L119-L121 HydrophobicContact CD1-CD2 4.45Å; L119-L121 PolarHBondContact O-N 2.96Å
120	R	95.9	Very high	95.4	Very high	168 Å²	168	62.1 Å²	62.1	63%	0.634	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	49.9	-173.3	-56.1	-167.6	-176.7	158.8	-12.2	112.2	H26 A116 S117 E118	H26-R120 HydrophobicContact CB-CB 4.11Å; H26-R120 WeakPolarHBondContact NE2-CD 3.42Å; H26-R120 PolarHBondContact NE2-NH1 2.94Å; A116-R120 WeakPolarHBondContact O-CA 3.38Å; A116-R120 PolarHBondContact O-N 3.44Å; S117-R120 WeakPolarHBondContact O-CG 3.26Å; S117-R120 PolarHBondContact O-N 3.46Å; E118-R120 VanDerWaalsContact C-N 3.27Å; E118-R120 PolarHBondContact O-N 3.33Å
121	L	94.3	Very high	95.3	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.089	32%	0.323	C	S	.	.			trans	-67.8	133.3	-177.8	-61.3	-178.1	0	0	0	110.6	V29 A116 L119 K125 C128	V29-L121 HydrophobicContact CG2-CD2 3.91Å; A116-L121 HydrophobicContact CB-CB 4.44Å; A116-L121 HydrophobicContact CB-CD1 4.32Å; A116-L121 PolarHBondContact O-N 2.93Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 HydrophobicContact CB-CD2 3.76Å; L119-L121 HydrophobicContact CB-CG 3.83Å; L119-L121 HydrophobicContact CD1-CD2 4.45Å; L119-L121 PolarHBondContact O-N 2.96Å; L121-K125 HydrophobicContact CB-CB 4.35Å; L121-C128 HydrophobicContact CD1-CB 4.45Å
122	P	93.3	Very high	95.3	Very high	65 Å²	65	58.6 Å²	58.6	42%	0.422	31%	0.305	S	S	.	.			trans	-66.9	158.2	170	30.1	-35.4	0	0	0	110.1	V124 K125	P122-V124 HydrophobicContact CB-CG2 4.32Å; P122-V124 HydrophobicContact CG-CG2 4.07Å; P122-V124 PolarHBondContact O-N 2.92Å; P122-K125 HydrophobicContact CG-CB 4.24Å; P122-K125 HydrophobicContact CG-CG 4.05Å; P122-K125 PolarHBondContact O-N 2.82Å
123	P	92.4	Very high	95.4	Very high	110 Å²	110	58.2 Å²	58.2	71%	0.714	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-50.5	-35.2	-177.6	-30.8	36.3	0	0	0	114.7	K125 L126	P123-K125 PolarHBondContact O-N 3.22Å; P123-L126 WeakPolarHBondContact O-CG 3.21Å; P123-L126 PolarHBondContact O-N 3.03Å
124	V	91.7	Very high	95.4	Very high	114 Å²	114	56.6 Å²	56.6	69%	0.691	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-68.1	-15	179.6	-57.9	0	0	0	0	114.3	P122 H127	P122-V124 HydrophobicContact CB-CG2 4.32Å; P122-V124 HydrophobicContact CG-CG2 4.07Å; P122-V124 PolarHBondContact O-N 2.92Å; V124-H127 PolarHBondContact O-CE1 3.48Å; V124-H127 VanDerWaalsContact O-CE1 3.31Å; V124-H127 PolarHBondContact O-ND1 2.85Å
125	K	91.5	Very high	95.5	Very high	49 Å²	49	51.9 Å²	51.9	21%	0.213	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110.3	7.7	-179.9	-66	-58.1	-175	177	0	113.9	C85 L121 P122 P123 H127 C128	C85-K125 PolarHBondContact SG-NZ 3.45Å; C85-K125 VanDerWaalsContact SG-NZ 3.37Å; L121-K125 HydrophobicContact CB-CB 4.35Å; P122-K125 HydrophobicContact CG-CB 4.24Å; P122-K125 HydrophobicContact CG-CG 4.05Å; P122-K125 PolarHBondContact O-N 2.82Å; P123-K125 PolarHBondContact O-N 3.22Å; K125-H127 PolarHBondContact O-N 3.36Å; K125-C128 WeakPolarHBondContact O-CB 3.43Å; K125-C128 PolarHBondContact O-N 3.34Å
126	L	93.3	Very high	95.5	Very high	71 Å²	71	52 Å²	52	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-23.5	178.7	-68.2	175.5	0	0	0	113.7	A116 P123 C128 S129 M130	A116-L126 HydrophobicContact CB-CD2 3.6Å; P123-L126 WeakPolarHBondContact O-CG 3.21Å; P123-L126 PolarHBondContact O-N 3.03Å; L126-C128 PolarHBondContact O-N 3.17Å; L126-S129 PolarHBondContact O-N 3.17Å; L126-S129 PolarHBondContact O-OG 3.24Å; L126-M130 WeakPolarHBondContact O-CG 3.47Å; L126-M130 PolarHBondContact O-N 3.47Å
127	H	91.7	Very high	95.6	Very high	81 Å²	81	54.9 Å²	54.9	38%	0.375	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-30.7	173.6	64.6	-88.6	0	0	0	112.7	D61 V124 K125 S129 M130 L131	D61-H127 IonicContact OD2-CD2 2.64Å; D61-H127 PolarHBondContact OD2-CD2 2.81Å; D61-H127 IonicContact OD2-NE2 3.55Å; D61-H127 PolarHBondContact OD2-NE2 2.69Å; V124-H127 PolarHBondContact O-CE1 3.48Å; V124-H127 VanDerWaalsContact O-CE1 3.31Å; V124-H127 PolarHBondContact O-ND1 2.85Å; K125-H127 PolarHBondContact O-N 3.36Å; H127-S129 VanDerWaalsContact C-N 3.35Å; H127-S129 PolarHBondContact O-N 3.31Å; H127-M130 PolarHBondContact O-N 2.92Å; H127-L131 WeakPolarHBondContact O-CB 3.32Å; H127-L131 PolarHBondContact O-N 3.27Å
128	C	93.4	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-39.4	178.6	-58.3	0	0	0	0	111.9	C85 A88 L121 K125 L126 A132	C85-C128 VanDerWaalsContact SG-SG 3.62Å; A88-C128 HydrophobicContact CB-CB 4.4Å; L121-C128 HydrophobicContact CD1-CB 4.45Å; K125-C128 WeakPolarHBondContact O-CB 3.43Å; K125-C128 PolarHBondContact O-N 3.34Å; L126-C128 PolarHBondContact O-N 3.17Å; C128-A132 PolarHBondContact O-N 3.14Å
129	S	95.5	Very high	95.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-72.7	-34.7	175.8	44.4	0	0	0	0	112.7	N112 L126 H127 A132 E133	N112-S129 VanDerWaalsContact CB-C 3.5Å; N112-S129 WeakPolarHBondContact CB-O 3.41Å; N112-S129 WeakPolarHBondContact O-CB 3.45Å; L126-S129 PolarHBondContact O-N 3.17Å; L126-S129 PolarHBondContact O-OG 3.24Å; H127-S129 VanDerWaalsContact C-N 3.35Å; H127-S129 PolarHBondContact O-N 3.31Å; S129-A132 PolarHBondContact O-N 3.34Å; S129-E133 PolarHBondContact O-N 3.1Å; S129-E133 VanDerWaalsContact O-N 3.1Å
130	M	96.4	Very high	95.8	Very high	99 Å²	99	48.1 Å²	48.1	49%	0.488	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-46.1	174.3	-66	174	71.3	0	0	110.6	N112 L126 H127 A132 E133 D134	N112-M130 HydrophobicContact CB-CG 4.16Å; L126-M130 WeakPolarHBondContact O-CG 3.47Å; L126-M130 PolarHBondContact O-N 3.47Å; H127-M130 PolarHBondContact O-N 2.92Å; M130-A132 PolarHBondContact O-N 3.16Å; M130-E133 PolarHBondContact O-N 3.18Å; M130-E133 VanDerWaalsContact O-N 3.16Å; M130-D134 PolarHBondContact O-N 3.02Å
131	L	96.5	Very high	95.9	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-35.8	176.4	-168.1	70.2	0	0	0	112.2	V54 D61 M63 H127 A135	V54-L131 HydrophobicContact CB-CD1 3.99Å; V54-L131 HydrophobicContact CG2-CD1 3.56Å; V54-L131 HydrophobicContact CG2-CG 3.94Å; V54-L131 WeakPolarHBondContact CG2-O 3.38Å; D61-L131 HydrophobicContact CB-CD2 3.71Å; M63-L131 HydrophobicContact CB-CD2 3.97Å; M63-L131 HydrophobicContact CB-CG 4.09Å; M63-L131 HydrophobicContact CE-CB 4.13Å; M63-L131 HydrophobicContact CE-CD2 3.99Å; M63-L131 HydrophobicContact CE-CG 3.94Å; H127-L131 WeakPolarHBondContact O-CB 3.32Å; H127-L131 PolarHBondContact O-N 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.35Å; L131-A135 PolarHBondContact O-N 3.27Å
132	A	97.8	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-43.1	175.9	0	0	0	0	0	112.9	M63 A95 I115 C128 S129 M130 A135 I136	M63-A132 HydrophobicContact CE-CB 3.9Å; M63-A132 HydrophobicContact SD-CB 4.18Å; A95-A132 HydrophobicContact CB-CB 4.23Å; I115-A132 HydrophobicContact CD1-CB 3.74Å; C128-A132 PolarHBondContact O-N 3.14Å; S129-A132 PolarHBondContact O-N 3.34Å; M130-A132 PolarHBondContact O-N 3.16Å; A132-A135 PolarHBondContact O-N 2.86Å; A132-I136 WeakPolarHBondContact O-CG1 3.38Å; A132-I136 PolarHBondContact O-N 3.14Å; A132-I136 VanDerWaalsContact O-N 3.12Å
133	E	98.2	Very high	96.3	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-48.7	172.4	178.7	174.6	-178.8	0	0	110.6	K111 N112 S129 M130 A135 I136 Q137	K111-E133 WeakPolarHBondContact CD-OE1 3.33Å; K111-E133 IonicContact NZ-OE1 3.17Å; K111-E133 PolarHBondContact NZ-OE1 3.29Å; N112-E133 HydrophobicContact CB-CB 4.23Å; N112-E133 WeakPolarHBondContact CB-OE2 3.32Å; N112-E133 PolarHBondContact N-OE2 3.06Å; N112-E133 PolarHBondContact ND2-OE2 3.31Å; S129-E133 PolarHBondContact O-N 3.1Å; S129-E133 VanDerWaalsContact O-N 3.1Å; M130-E133 PolarHBondContact O-N 3.18Å; M130-E133 VanDerWaalsContact O-N 3.16Å; E133-A135 VanDerWaalsContact C-N 3.28Å; E133-A135 PolarHBondContact O-N 2.93Å; E133-I136 WeakPolarHBondContact O-CB 3.12Å; E133-I136 PolarHBondContact O-N 2.96Å; E133-I136 VanDerWaalsContact O-N 3.12Å; E133-Q137 HydrophobicContact CG-CG 4.44Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.37Å
134	D	98	Very high	96.5	Very high	85 Å²	85	45.4 Å²	45.4	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-39.9	178.8	-69.5	-20.8	0	0	0	111.9	V54 M130 Q137 A138	V54-D134 HydrophobicContact CB-CB 4.42Å; V54-D134 HydrophobicContact CG1-CB 4.13Å; V54-D134 HydrophobicContact CG2-CB 4.38Å; M130-D134 PolarHBondContact O-N 3.02Å; D134-Q137 PolarHBondContact O-N 2.88Å; D134-A138 VanDerWaalsContact O-CB 3.26Å; D134-A138 WeakPolarHBondContact O-CB 3.35Å; D134-A138 PolarHBondContact O-N 3Å
135	A	98.4	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-40.9	177.2	0	0	0	0	0	112.2	V54 M63 L65 L131 A132 E133 A139	V54-A135 HydrophobicContact CG2-CB 3.62Å; M63-A135 HydrophobicContact CB-CB 4.45Å; M63-A135 HydrophobicContact CG-CB 3.93Å; M63-A135 HydrophobicContact SD-CB 3.55Å; M63-A135 VanDerWaalsContact SD-CB 3.55Å; L65-A135 HydrophobicContact CB-CB 3.85Å; L65-A135 HydrophobicContact CD1-CB 4.46Å; L131-A135 WeakPolarHBondContact O-CB 3.35Å; L131-A135 PolarHBondContact O-N 3.27Å; A132-A135 PolarHBondContact O-N 2.86Å; E133-A135 VanDerWaalsContact C-N 3.28Å; E133-A135 PolarHBondContact O-N 2.93Å; A135-A139 WeakPolarHBondContact O-CB 3.41Å; A135-A139 PolarHBondContact O-N 3.05Å
136	I	98.5	Very high	97	Very high	3 Å²	3	46 Å²	46	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-51.4	174.7	-68.1	163	0	0	0	109.8	L65 A95 V99 V110 A132 E133 A138 A139 L140	L65-I136 HydrophobicContact CD1-CG1 3.95Å; A95-I136 HydrophobicContact CB-CD1 3.89Å; A95-I136 HydrophobicContact CB-CG1 4.39Å; V99-I136 HydrophobicContact CG1-CD1 3.88Å; V99-I136 HydrophobicContact CG1-CG1 3.96Å; V99-I136 HydrophobicContact CG1-CG2 4.06Å; V110-I136 HydrophobicContact CB-CD1 4.17Å; V110-I136 HydrophobicContact CG1-CD1 3.84Å; A132-I136 WeakPolarHBondContact O-CG1 3.38Å; A132-I136 PolarHBondContact O-N 3.14Å; A132-I136 VanDerWaalsContact O-N 3.12Å; E133-I136 WeakPolarHBondContact O-CB 3.12Å; E133-I136 PolarHBondContact O-N 2.96Å; E133-I136 VanDerWaalsContact O-N 3.12Å; I136-A138 VanDerWaalsContact C-N 3.31Å; I136-A138 PolarHBondContact O-N 3.11Å; I136-A139 PolarHBondContact O-N 2.76Å; I136-L140 HydrophobicContact CG2-CD1 3.78Å; I136-L140 HydrophobicContact CG2-CG 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.34Å; I136-L140 PolarHBondContact O-N 3.27Å
137	Q	98.5	Very high	97.1	Very high	69 Å²	69	45.6 Å²	45.6	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-41.6	-179.1	-62.4	-58.9	-35.5	0	0	111.7	A108 E133 D134 L140 K141	A108-Q137 PolarHBondContact O-NE2 3.41Å; E133-Q137 HydrophobicContact CG-CG 4.44Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.37Å; D134-Q137 PolarHBondContact O-N 2.88Å; Q137-L140 PolarHBondContact O-N 3.21Å; Q137-K141 WeakPolarHBondContact O-CB 3.33Å; Q137-K141 PolarHBondContact O-N 2.72Å
138	A	98.5	Very high	97.3	Very high	31 Å²	31	45.9 Å²	45.9	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-41.3	176.6	0	0	0	0	0	112.3	V54 D134 I136 K141 D142	V54-A138 HydrophobicContact CG1-CB 3.97Å; D134-A138 VanDerWaalsContact O-CB 3.26Å; D134-A138 WeakPolarHBondContact O-CB 3.35Å; D134-A138 PolarHBondContact O-N 3Å; I136-A138 VanDerWaalsContact C-N 3.31Å; I136-A138 PolarHBondContact O-N 3.11Å; A138-K141 PolarHBondContact O-N 2.87Å; A138-D142 PolarHBondContact O-N 3.35Å
139	A	98.7	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-42.8	177.1	0	0	0	0	0	112.2	G50 L65 I67 A135 I136 D142 Y143	G50-A139 VanDerWaalsContact CA-O 3.31Å; G50-A139 WeakPolarHBondContact CA-O 3.43Å; L65-A139 HydrophobicContact CD2-CB 3.84Å; I67-A139 HydrophobicContact CD1-CB 4.4Å; I67-A139 HydrophobicContact CG1-CB 4.26Å; A135-A139 WeakPolarHBondContact O-CB 3.41Å; A135-A139 PolarHBondContact O-N 3.05Å; I136-A139 PolarHBondContact O-N 2.76Å; A139-D142 PolarHBondContact O-N 3.17Å; A139-Y143 PolarHBondContact O-N 2.7Å
140	L	98.5	Very high	96.4	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-44.4	175.3	-67.9	170.6	0	0	0	111.5	I67 I75 L104 A107 A108 I136 Q137 Y143 Q144	I67-L140 HydrophobicContact CD1-CD2 3.54Å; I67-L140 HydrophobicContact CD1-CG 4.18Å; I75-L140 HydrophobicContact CD1-CD2 4.41Å; L104-L140 HydrophobicContact CB-CD2 4.29Å; L104-L140 HydrophobicContact CD2-CD2 3.66Å; A107-L140 HydrophobicContact CB-CD1 4.18Å; A107-L140 HydrophobicContact CB-CD2 4.16Å; A108-L140 HydrophobicContact CB-CD1 3.91Å; I136-L140 HydrophobicContact CG2-CD1 3.78Å; I136-L140 HydrophobicContact CG2-CG 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.34Å; I136-L140 PolarHBondContact O-N 3.27Å; Q137-L140 PolarHBondContact O-N 3.21Å; L140-Y143 PolarHBondContact O-N 3.31Å; L140-Q144 WeakPolarHBondContact O-CG 3.02Å; L140-Q144 PolarHBondContact O-N 3.23Å
141	K	98.1	Very high	96.4	Very high	152 Å²	152	55.9 Å²	55.9	66%	0.661	30%	0.297	S	S	*	.	H	α-helix	trans	-64.2	-40.6	177.9	-174.6	176.5	-178.6	177.1	0	112.4	Q137 A138 Q144 R145	Q137-K141 WeakPolarHBondContact O-CB 3.33Å; Q137-K141 PolarHBondContact O-N 2.72Å; A138-K141 PolarHBondContact O-N 2.87Å; K141-Q144 PolarHBondContact O-N 3.09Å; K141-R145 WeakPolarHBondContact O-CB 3.44Å; K141-R145 PolarHBondContact O-N 3.17Å
142	D	98.4	Very high	96.4	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-45.4	175.1	179.4	58.5	0	0	0	111.5	T51 A138 A139 R145 K146	T51-D142 PolarHBondContact N-OD2 3.05Å; T51-D142 WeakPolarHBondContact O-CB 3.41Å; A138-D142 PolarHBondContact O-N 3.35Å; A139-D142 PolarHBondContact O-N 3.17Å; D142-R145 PolarHBondContact O-N 2.85Å; D142-R145 IonicContact OD1-CZ 3.55Å; D142-R145 IonicContact OD1-NE 3.35Å; D142-R145 IonicContact OD1-NH2 2.98Å; D142-R145 PolarHBondContact OD1-NH2 3.4Å; D142-K146 WeakPolarHBondContact O-CG 3.47Å; D142-K146 PolarHBondContact O-N 3.15Å; D142-K146 WeakPolarHBondContact OD2-CE 3.44Å; D142-K146 IonicContact OD2-NZ 3.73Å
143	Y	98.3	Very high	96.3	Very high	23 Å²	23	61 Å²	61	9%	0.09	32%	0.324	C	S	.	.	H	α-helix	trans	-57.8	-52.5	174.6	172.5	-96.3	0	0	0	111.4	V69 L104 A139 L140 R145 K146 Q147	V69-Y143 HydrophobicContact CB-CD2 4.12Å; V69-Y143 HydrophobicContact CB-CE1 4.43Å; V69-Y143 HydrophobicContact CB-CE2 3.52Å; V69-Y143 HydrophobicContact CG1-CE1 4.31Å; V69-Y143 HydrophobicContact CG1-CE2 4.17Å; V69-Y143 HydrophobicContact CG2-CD1 4.25Å; V69-Y143 HydrophobicContact CG2-CD2 3.65Å; V69-Y143 HydrophobicContact CG2-CE1 4.22Å; V69-Y143 HydrophobicContact CG2-CE2 3.58Å; V69-Y143 HydrophobicContact CG2-CG 3.97Å; L104-Y143 HydrophobicContact CD1-CD1 3.78Å; L104-Y143 HydrophobicContact CD1-CE1 3.42Å; L104-Y143 VanDerWaalsContact CD1-CE1 3.42Å; L104-Y143 HydrophobicContact CD2-CD1 4.19Å; L104-Y143 HydrophobicContact CD2-CE1 4.33Å; A139-Y143 PolarHBondContact O-N 2.7Å; L140-Y143 PolarHBondContact O-N 3.31Å; Y143-R145 VanDerWaalsContact C-N 3.28Å; Y143-R145 PolarHBondContact O-N 3.25Å; Y143-K146 WeakPolarHBondContact O-CB 3.43Å; Y143-K146 PolarHBondContact O-N 3.04Å; Y143-Q147 HydrophobicContact CD1-CG 4.15Å; Y143-Q147 HydrophobicContact CD2-CG 4.39Å; Y143-Q147 HydrophobicContact CE1-CG 3.61Å; Y143-Q147 HydrophobicContact CE2-CG 3.91Å; Y143-Q147 WeakPolarHBondContact O-CG 3.36Å; Y143-Q147 PolarHBondContact O-N 3.22Å
144	Q	96.9	Very high	96.2	Very high	111 Å²	111	63.3 Å²	63.3	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-41.4	179.5	-73.6	172.8	-22.4	0	0	112.1	L140 K141 K146 Q147 A148	L140-Q144 WeakPolarHBondContact O-CG 3.02Å; L140-Q144 PolarHBondContact O-N 3.23Å; K141-Q144 PolarHBondContact O-N 3.09Å; Q144-K146 PolarHBondContact O-N 3.45Å; Q144-Q147 PolarHBondContact O-N 3.21Å; Q144-A148 PolarHBondContact O-N 3.27Å
145	R	97.3	Very high	96.1	Very high	145 Å²	145	61.9 Å²	61.9	55%	0.547	33%	0.33	S	S	.	.	H	α-helix	trans	-60.3	-43.2	175.1	177.9	179.1	62.8	-169.1	0.4	112	K141 D142 Y143 Q147 A148 Q149	K141-R145 WeakPolarHBondContact O-CB 3.44Å; K141-R145 PolarHBondContact O-N 3.17Å; D142-R145 PolarHBondContact O-N 2.85Å; D142-R145 IonicContact OD1-CZ 3.55Å; D142-R145 IonicContact OD1-NE 3.35Å; D142-R145 IonicContact OD1-NH2 2.98Å; D142-R145 PolarHBondContact OD1-NH2 3.4Å; Y143-R145 VanDerWaalsContact C-N 3.28Å; Y143-R145 PolarHBondContact O-N 3.25Å; R145-Q147 VanDerWaalsContact C-N 3.31Å; R145-Q147 PolarHBondContact O-N 3.33Å; R145-A148 PolarHBondContact O-N 3.22Å; R145-Q149 WeakPolarHBondContact O-CG 3.37Å; R145-Q149 PolarHBondContact O-N 3.34Å
146	K	96.8	Very high	95.9	Very high	32 Å²	32	66.1 Å²	66.1	14%	0.139	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-33.1	177.3	-71.3	173.7	172	-169.1	0	112.7	K44 D46 R47 V49 D142 Y143 Q144	K44-K146 PolarHBondContact O-NZ 2.69Å; D46-K146 PolarHBondContact O-NZ 3.37Å; R47-K146 PolarHBondContact NH2-O 3.49Å; V49-K146 WeakPolarHBondContact O-CD 3.37Å; V49-K146 WeakPolarHBondContact O-CE 3.49Å; V49-K146 PolarHBondContact O-NZ 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.47Å; D142-K146 PolarHBondContact O-N 3.15Å; D142-K146 WeakPolarHBondContact OD2-CE 3.44Å; D142-K146 IonicContact OD2-NZ 3.73Å; Y143-K146 WeakPolarHBondContact O-CB 3.43Å; Y143-K146 PolarHBondContact O-N 3.04Å; Q144-K146 PolarHBondContact O-N 3.45Å
147	Q	95.8	Very high	95.7	Very high	61 Å²	61	70.6 Å²	70.6	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-73.6	-36.4	175.4	-59.7	-49.9	-41.3	0	0	112.2	R47 Y143 Q144 R145 Q149 A150	R47-Q147 PolarHBondContact O-NE2 3.15Å; Y143-Q147 HydrophobicContact CD1-CG 4.15Å; Y143-Q147 HydrophobicContact CD2-CG 4.39Å; Y143-Q147 HydrophobicContact CE1-CG 3.61Å; Y143-Q147 HydrophobicContact CE2-CG 3.91Å; Y143-Q147 WeakPolarHBondContact O-CG 3.36Å; Y143-Q147 PolarHBondContact O-N 3.22Å; Q144-Q147 PolarHBondContact O-N 3.21Å; R145-Q147 VanDerWaalsContact C-N 3.31Å; R145-Q147 PolarHBondContact O-N 3.33Å; Q147-Q149 PolarHBondContact O-N 3.46Å; Q147-A150 WeakPolarHBondContact O-CB 3.45Å; Q147-A150 PolarHBondContact O-N 3.5Å; Q147-A150 VanDerWaalsContact O-N 3.11Å
148	A	94.5	Very high	95.5	Very high	87 Å²	87	70.7 Å²	70.7	72%	0.719	38%	0.38	S	S	*	.	H	α-helix	trans	-69.8	-15.2	176.1	0	0	0	0	0	114.1	Q144 R145	Q144-A148 PolarHBondContact O-N 3.27Å; R145-A148 PolarHBondContact O-N 3.22Å
149	Q	89.3	Confident	95.3	Very high	138 Å²	138	74 Å²	74	65%	0.645	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	6.4	174.2	-67	173	-15	0	0	112.3	R145 Q147	R145-Q149 WeakPolarHBondContact O-CG 3.37Å; R145-Q149 PolarHBondContact O-N 3.34Å; Q147-Q149 PolarHBondContact O-N 3.46Å
150	A	80.7	Confident	95	Very high	115 Å²	115	80.7 Å²	80.7	95%	0.95	43%	0.426	S	S	*	.			trans	-84.7	0	172.8	0	0	0	0	0	110.3	Q147	Q147-A150 WeakPolarHBondContact O-CB 3.45Å; Q147-A150 PolarHBondContact O-N 3.5Å; Q147-A150 VanDerWaalsContact O-N 3.11Å

Retrieved 150 of 150 residues in 71.6 ms (Link to these results)

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