A0A077ZE17_TRITR Loading...

EF-hand 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 126 aa.

						>A0A077ZE17_TRITR|A0A077ZE17
MVLVANTLWRIRSLFFQHCTFCEYSSELFRHVKEHLKGRLNLDEGMSADSVKFHYFRMYDVNKDARLDGTEIIKAVTHSHADAAHPTPNTQFSDEDLERIVDRTLASQDVNNDGYIDFAEFINSRP
					

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	37.3	Very low	37.4	Very low	142 Å²	142	99.5 Å²	99.5	70%	0.7	51%	0.507	S	S	*	.				0	14.3	0	-72.3	171.9	102.5	0	0	112.9	A5 T90	M1-A5 WeakPolarHBondContact O-CB 3.4Å; M1-A5 PolarHBondContact O-N 2.85Å; M1-T90 HydrophobicContact CG-CG2 4.23Å; M1-T90 VanDerWaalsContact N-CG2 3.31Å; M1-T90 PolarHBondContact N-OG1 3.36Å
2	V	32.1	Very low	37.3	Very low	111 Å²	111	109.5 Å²	109.5	67%	0.673	53%	0.534	S	S	*	.	H	α-helix	trans	-78.5	-26.6	-169.7	-176.3	0	0	0	0	113.9	A5	V2-A5 WeakPolarHBondContact O-CB 3.18Å
3	L	30.6	Very low	37.3	Very low	49 Å²	49	103.3 Å²	103.3	26%	0.257	51%	0.508	S	S	.	.	H	α-helix	trans	-96.5	-16	174.1	-78	144.7	0	0	0	114.6	A5 T7 V76 I100	L3-A5 VanDerWaalsContact C-N 3.3Å; L3-T7 PolarHBondContact O-OG1 3.45Å; L3-T7 VanDerWaalsContact O-OG1 3.06Å; L3-V76 HydrophobicContact CB-CG1 4.39Å; L3-V76 HydrophobicContact CD1-CB 3.35Å; L3-V76 HydrophobicContact CD1-CG1 3.41Å; L3-V76 VanDerWaalsContact CD1-CG1 3.41Å; L3-V76 HydrophobicContact CD1-CG2 3.17Å; L3-I100 HydrophobicContact CB-CD1 4.25Å; L3-I100 HydrophobicContact CB-CG2 4.15Å; L3-I100 HydrophobicContact CD1-CG2 4.29Å; L3-I100 HydrophobicContact CD2-CG2 4.4Å
4	V	37.6	Very low	37.8	Very low	50 Å²	50	107.1 Å²	107.1	30%	0.303	53%	0.531	S	S	.	.	H	α-helix	trans	-71.4	-30.5	158.7	177.3	0	0	0	0	109.7	N6 T7 L8 F92	V4-N6 PolarHBondContact O-N 3.17Å; V4-T7 PolarHBondContact O-N 3.29Å; V4-L8 HydrophobicContact CG1-CD1 3.41Å; V4-L8 VanDerWaalsContact CG1-CD1 3.41Å; V4-L8 HydrophobicContact CG1-CG 3.62Å; V4-L8 VanDerWaalsContact O-CB 3.24Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.05Å; V4-L8 PolarHBondContact O-N 3.31Å; V4-F92 HydrophobicContact CG2-CE1 4.08Å
5	A	34.4	Very low	38	Very low	53 Å²	53	112.2 Å²	112.2	44%	0.438	55%	0.549	S	S	.	.	H	α-helix	trans	-60.4	-44.3	178.5	0	0	0	0	0	112.6	M1 V2 L3 W9	M1-A5 WeakPolarHBondContact O-CB 3.4Å; M1-A5 PolarHBondContact O-N 2.85Å; V2-A5 WeakPolarHBondContact O-CB 3.18Å; L3-A5 VanDerWaalsContact C-N 3.3Å; A5-W9 WeakPolarHBondContact O-CB 3.17Å; A5-W9 PolarHBondContact O-N 3.44Å
6	N	37.2	Very low	37.7	Very low	92 Å²	92	116 Å²	116	49%	0.492	56%	0.562	S	S	.	*	H	α-helix	trans	-73.1	-35	178	-76.6	-23.8	0	0	0	113.3	V4 W9 R10	V4-N6 PolarHBondContact O-N 3.17Å; N6-W9 PolarHBondContact O-N 2.77Å; N6-R10 PolarHBondContact O-N 3.04Å
7	T	43.9	Very low	37.9	Very low	53 Å²	53	120.3 Å²	120.3	33%	0.325	58%	0.581	S	S	.	*	H	α-helix	trans	-77	-36.2	-180	-42.9	0	0	0	0	112.1	L3 V4 W9 R10	L3-T7 PolarHBondContact O-OG1 3.45Å; L3-T7 VanDerWaalsContact O-OG1 3.06Å; V4-T7 PolarHBondContact O-N 3.29Å; T7-W9 VanDerWaalsContact C-N 3.34Å; T7-R10 WeakPolarHBondContact O-CB 3.49Å; T7-R10 PolarHBondContact O-N 3.48Å
8	L	38.1	Very low	37.8	Very low	103 Å²	103	123.4 Å²	123.4	54%	0.539	59%	0.594	S	S	.	*	H	α-helix	trans	-68.7	-31.5	170.8	-72.6	-179.8	0	0	0	112.3	V4 R10 I11 R12	V4-L8 HydrophobicContact CG1-CD1 3.41Å; V4-L8 VanDerWaalsContact CG1-CD1 3.41Å; V4-L8 HydrophobicContact CG1-CG 3.62Å; V4-L8 VanDerWaalsContact O-CB 3.24Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.05Å; V4-L8 PolarHBondContact O-N 3.31Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-I11 PolarHBondContact O-N 3.39Å; L8-R12 PolarHBondContact O-N 3.15Å
9	W	39.2	Very low	37.7	Very low	116 Å²	116	122.7 Å²	122.7	44%	0.439	60%	0.602	S	S	.	*	H	α-helix	trans	-67	-36.2	173.8	-173	84.1	0	0	0	111.5	A5 N6 T7 I11 R12 S13 T20	A5-W9 WeakPolarHBondContact O-CB 3.17Å; A5-W9 PolarHBondContact O-N 3.44Å; N6-W9 PolarHBondContact O-N 2.77Å; T7-W9 VanDerWaalsContact C-N 3.34Å; W9-I11 VanDerWaalsContact C-N 3.31Å; W9-I11 PolarHBondContact O-N 2.94Å; W9-R12 CarbonylContact O-C 3.56Å; W9-R12 PolarHBondContact O-N 3.08Å; W9-S13 WeakPolarHBondContact CH2-OG 3.47Å; W9-S13 WeakPolarHBondContact CZ2-OG 3.29Å; W9-S13 WeakPolarHBondContact CZ3-OG 3.46Å; W9-S13 WeakPolarHBondContact O-CB 3.35Å; W9-S13 PolarHBondContact O-N 3.29Å; W9-T20 HydrophobicContact CH2-CG2 3.12Å; W9-T20 HydrophobicContact CZ2-CG2 3.28Å; W9-T20 HydrophobicContact CZ3-CG2 4.21Å
10	R	38.6	Very low	37.8	Very low	190 Å²	190	119.7 Å²	119.7	72%	0.717	59%	0.591	S	S	*	*	H	α-helix	trans	-58.6	-35.9	175.3	-133.8	177.8	-176.6	-151.1	3.1	113.8	N6 T7 L8 R12	N6-R10 PolarHBondContact O-N 3.04Å; T7-R10 WeakPolarHBondContact O-CB 3.49Å; T7-R10 PolarHBondContact O-N 3.48Å; L8-R10 VanDerWaalsContact C-N 3.34Å; R10-R12 VanDerWaalsContact C-N 3.34Å
11	I	41.8	Very low	38	Very low	135 Å²	135	121.4 Å²	121.4	69%	0.692	60%	0.595	S	S	*	*	H	α-helix	trans	-72.4	-29.8	176.8	-62.5	175.6	0	0	0	111.5	L8 W9	L8-I11 PolarHBondContact O-N 3.39Å; W9-I11 VanDerWaalsContact C-N 3.31Å; W9-I11 PolarHBondContact O-N 2.94Å
12	R	36.1	Very low	38.1	Very low	220 Å²	220	119.2 Å²	119.2	83%	0.83	59%	0.593	S	S	*	*	H	α-helix	trans	-91.8	-22.5	-178.4	-160.6	166.9	159.4	167	-6.7	113.2	L8 W9 R10	L8-R12 PolarHBondContact O-N 3.15Å; W9-R12 CarbonylContact O-C 3.56Å; W9-R12 PolarHBondContact O-N 3.08Å; R10-R12 VanDerWaalsContact C-N 3.34Å
13	S	38.3	Very low	38.7	Very low	29 Å²	29	120.3 Å²	120.3	20%	0.203	59%	0.591	C	S	.	*	H	α-helix	trans	-87.9	-9.5	-173	-171.5	0	0	0	0	114.4	W9 F15 F16	W9-S13 WeakPolarHBondContact CH2-OG 3.47Å; W9-S13 WeakPolarHBondContact CZ2-OG 3.29Å; W9-S13 WeakPolarHBondContact CZ3-OG 3.46Å; W9-S13 WeakPolarHBondContact O-CB 3.35Å; W9-S13 PolarHBondContact O-N 3.29Å; S13-F15 PolarHBondContact O-N 3.44Å; S13-F16 PolarHBondContact O-N 3.26Å
14	L	43.4	Very low	39.6	Very low	157 Å²	157	122.7 Å²	122.7	82%	0.822	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-8.7	168.2	-79.7	170.1	0	0	0	113.6
15	F	41.4	Very low	40.5	Very low	183 Å²	183	122.1 Å²	122.1	80%	0.803	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-7.8	178.5	-112.3	-92.7	0	0	0	116.9	S13	S13-F15 PolarHBondContact O-N 3.44Å
16	F	32.6	Very low	41.7	Very low	173 Å²	173	122.3 Å²	122.3	76%	0.759	59%	0.593	S	S	*	*			trans	-143.4	90.2	-177.2	-94	-94.3	0	0	0	113.3	S13 H18	S13-F16 PolarHBondContact O-N 3.26Å; F16-H18 VanDerWaalsContact C-N 3.27Å; F16-H18 PolarHBondContact O-N 3.46Å
17	Q	42.2	Very low	43	Very low	189 Å²	189	122.1 Å²	122.1	88%	0.883	59%	0.589	S	S	*	*			trans	-76.6	50.2	178.4	180	137.3	-93.1	0	0	114.2
18	H	34.6	Very low	44	Very low	177 Å²	177	120.1 Å²	120.1	82%	0.819	58%	0.577	S	S	*	*	S	Bend	trans	-143.7	113.1	171.7	-98.2	-87.9	0	0	0	113.1	F16	F16-H18 VanDerWaalsContact C-N 3.27Å; F16-H18 PolarHBondContact O-N 3.46Å
19	C	36	Very low	45.4	Very low	109 Å²	109	118.5 Å²	118.5	74%	0.736	57%	0.566	S	S	*	*			trans	80.2	81.2	157.4	-145.6	0	0	0	0	118
20	T	40.8	Very low	46.9	Very low	62 Å²	62	119 Å²	119	38%	0.38	57%	0.568	S	S	.	*			trans	-122.1	7.5	174.7	49.9	0	0	0	0	115.8	W9	W9-T20 HydrophobicContact CH2-CG2 3.12Å; W9-T20 HydrophobicContact CZ2-CG2 3.28Å; W9-T20 HydrophobicContact CZ3-CG2 4.21Å
21	F	41	Very low	48.3	Very low	156 Å²	156	111.6 Å²	111.6	68%	0.684	54%	0.541	S	S	*	.	H	α-helix	trans	-74.3	-37.6	175.6	-174	-103.3	0	0	0	112.6
22	C	39.5	Very low	49.8	Very low	97 Å²	97	105.1 Å²	105.1	66%	0.655	51%	0.508	S	S	*	.	H	α-helix	trans	-71.3	-39.8	-172.9	-155.1	0	0	0	0	112.5	S26	C22-S26 PolarHBondContact O-N 2.83Å
23	E	45.7	Very low	51.5	Low	134 Å²	134	97.6 Å²	97.6	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-74.7	-42	-171.8	-155.3	164.7	-162.2	0	0	112	S25 S26 E27	E23-S25 PolarHBondContact O-N 3.11Å; E23-S26 PolarHBondContact O-N 3.21Å; E23-S26 PolarHBondContact O-OG 3.03Å; E23-E27 PolarHBondContact O-N 3.09Å; E23-E27 VanDerWaalsContact O-N 3.16Å
24	Y	49.8	Very low	53.2	Low	98 Å²	98	98.8 Å²	98.8	38%	0.384	48%	0.483	S	S	.	.	H	α-helix	trans	-60.1	-46.1	176.7	179.4	-99.3	0	0	0	112.7	S26 E27 L28	Y24-S26 VanDerWaalsContact C-N 3.27Å; Y24-S26 PolarHBondContact O-N 3.39Å; Y24-E27 PolarHBondContact O-N 3.4Å; Y24-L28 WeakPolarHBondContact O-CB 3.22Å; Y24-L28 PolarHBondContact O-N 3.1Å; Y24-L28 VanDerWaalsContact O-N 3.11Å
25	S	56	Low	54.4	Low	39 Å²	39	94.4 Å²	94.4	27%	0.273	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-34.1	178.8	-170.9	0	0	0	0	112	E23 F29	E23-S25 PolarHBondContact O-N 3.11Å; S25-F29 WeakPolarHBondContact O-CB 3.43Å; S25-F29 PolarHBondContact O-N 3.06Å
26	S	59.5	Low	55.8	Low	57 Å²	57	85.9 Å²	85.9	40%	0.399	42%	0.421	S	S	.	.	H	α-helix	trans	-69.9	-38.3	178.4	68.3	0	0	0	0	113.2	C22 E23 Y24 F29 R30	C22-S26 PolarHBondContact O-N 2.83Å; E23-S26 PolarHBondContact O-N 3.21Å; E23-S26 PolarHBondContact O-OG 3.03Å; Y24-S26 VanDerWaalsContact C-N 3.27Å; Y24-S26 PolarHBondContact O-N 3.39Å; S26-F29 PolarHBondContact O-N 2.84Å; S26-R30 WeakPolarHBondContact O-CB 3.41Å; S26-R30 PolarHBondContact O-N 3.38Å
27	E	64.9	Low	57.4	Low	87 Å²	87	84.1 Å²	84.1	41%	0.407	41%	0.413	S	S	.	.	H	α-helix	trans	-68.7	-45.7	177.5	-73.1	-64.4	126.9	0	0	111.2	E23 Y24 F29 R30 H31	E23-E27 PolarHBondContact O-N 3.09Å; E23-E27 VanDerWaalsContact O-N 3.16Å; Y24-E27 PolarHBondContact O-N 3.4Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 3.34Å; E27-R30 PolarHBondContact O-N 3.09Å; E27-R30 IonicContact OE1-CZ 3.21Å; E27-R30 IonicContact OE1-NH1 3.04Å; E27-R30 PolarHBondContact OE1-NH1 2.87Å; E27-R30 IonicContact OE1-NH2 3.96Å; E27-R30 PolarHBondContact OE1-NH2 3.18Å; E27-R30 IonicContact OE2-CZ 3.11Å; E27-R30 IonicContact OE2-NH1 2.79Å; E27-R30 IonicContact OE2-NH2 3.95Å; E27-R30 PolarHBondContact OE2-NH2 2.69Å; E27-H31 WeakPolarHBondContact O-CB 3.47Å; E27-H31 PolarHBondContact O-N 3.24Å
28	L	65.1	Low	58.3	Low	12 Å²	12	79.2 Å²	79.2	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-56.3	-46.6	172.3	-175.1	66.1	0	0	0	111.2	Y24 H31 V32 V51 K52 Y55	Y24-L28 WeakPolarHBondContact O-CB 3.22Å; Y24-L28 PolarHBondContact O-N 3.1Å; Y24-L28 VanDerWaalsContact O-N 3.11Å; L28-H31 PolarHBondContact O-N 3.44Å; L28-V32 WeakPolarHBondContact O-CB 3.49Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.19Å; L28-V32 PolarHBondContact O-N 3.32Å; L28-V51 HydrophobicContact CG-CG1 4.3Å; L28-K52 HydrophobicContact CD2-CG 3.82Å; L28-Y55 HydrophobicContact CD1-CD1 3.57Å; L28-Y55 HydrophobicContact CD1-CD2 3.21Å; L28-Y55 HydrophobicContact CD1-CE1 3.86Å; L28-Y55 HydrophobicContact CD1-CE2 3.52Å; L28-Y55 HydrophobicContact CD1-CG 3.21Å; L28-Y55 HydrophobicContact CG-CD2 4.46Å; L28-Y55 HydrophobicContact CG-CG 4.39Å
29	F	67.2	Low	59.5	Low	69 Å²	69	80.8 Å²	80.8	30%	0.303	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-44.2	178.1	-175	-98.3	0	0	0	112.1	S25 S26 E27 V32 K33 M46 V51	S25-F29 WeakPolarHBondContact O-CB 3.43Å; S25-F29 PolarHBondContact O-N 3.06Å; S26-F29 PolarHBondContact O-N 2.84Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 3.34Å; F29-V32 PolarHBondContact O-N 3.05Å; F29-K33 HydrophobicContact CE1-CD 4.05Å; F29-K33 WeakPolarHBondContact O-CB 3.29Å; F29-K33 PolarHBondContact O-N 3.26Å; F29-M46 HydrophobicContact CE2-CE 4.11Å; F29-V51 HydrophobicContact CB-CG1 4.4Å; F29-V51 HydrophobicContact CD2-CG1 4.1Å; F29-V51 HydrophobicContact CD2-CG2 3.62Å; F29-V51 HydrophobicContact CE2-CG2 3.94Å
30	R	70	Confident	60.3	Low	127 Å²	127	80.5 Å²	80.5	48%	0.479	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-43.4	178.3	-169.4	174.9	72.9	-143.4	0.7	111.1	S26 E27 K33 E34	S26-R30 WeakPolarHBondContact O-CB 3.41Å; S26-R30 PolarHBondContact O-N 3.38Å; E27-R30 PolarHBondContact O-N 3.09Å; E27-R30 IonicContact OE1-CZ 3.21Å; E27-R30 IonicContact OE1-NH1 3.04Å; E27-R30 PolarHBondContact OE1-NH1 2.87Å; E27-R30 IonicContact OE1-NH2 3.96Å; E27-R30 PolarHBondContact OE1-NH2 3.18Å; E27-R30 IonicContact OE2-CZ 3.11Å; E27-R30 IonicContact OE2-NH1 2.79Å; E27-R30 IonicContact OE2-NH2 3.95Å; E27-R30 PolarHBondContact OE2-NH2 2.69Å; R30-K33 PolarHBondContact O-N 2.88Å; R30-E34 WeakPolarHBondContact O-CG 3.24Å; R30-E34 PolarHBondContact O-N 3.17Å
31	H	69.3	Low	60.9	Low	33 Å²	33	84.9 Å²	84.9	15%	0.153	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-49	177.6	-179.4	89.6	0	0	0	112.3	E27 L28 K33 E34 H35 Y55 Y59 H78 H80	E27-H31 WeakPolarHBondContact O-CB 3.47Å; E27-H31 PolarHBondContact O-N 3.24Å; L28-H31 PolarHBondContact O-N 3.44Å; H31-K33 VanDerWaalsContact C-N 3.33Å; H31-E34 PolarHBondContact O-N 3.48Å; H31-H35 AromaticContact NE2-CD2 3.54Å; H31-H35 AromaticContact NE2-NE2 3.72Å; H31-H35 PolarHBondContact O-N 3.44Å; H31-Y55 AromaticContact CD2-CD2 3.82Å; H31-Y55 AromaticContact CD2-CE2 3.58Å; H31-Y55 AromaticContact NE2-CE2 3.98Å; H31-Y59 PolarHBondContact CE1-OH 3.01Å; H31-Y59 AromaticContact NE2-CZ 3.95Å; H31-Y59 PolarHBondContact NE2-OH 3.42Å; H31-H78 AromaticContact CE1-CE1 3.85Å; H31-H78 AromaticContact CE1-ND1 3.51Å; H31-H80 AromaticContact CE1-NE2 3.83Å; H31-H80 AromaticContact ND1-CD2 3.98Å; H31-H80 AromaticContact ND1-NE2 3.54Å
32	V	72.3	Confident	61.6	Low	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-43	175.9	167.4	0	0	0	0	110.5	L28 F29 E34 H35 L36 M46 V51 H54 Y55	L28-V32 WeakPolarHBondContact O-CB 3.49Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.19Å; L28-V32 PolarHBondContact O-N 3.32Å; F29-V32 PolarHBondContact O-N 3.05Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 3.02Å; V32-H35 PolarHBondContact O-N 3.34Å; V32-L36 HydrophobicContact CG1-CD1 3.28Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CB 2.96Å; V32-L36 VanDerWaalsContact O-CD1 3.32Å; V32-L36 WeakPolarHBondContact O-CD1 3.13Å; V32-L36 VanDerWaalsContact O-CG 3.31Å; V32-L36 WeakPolarHBondContact O-CG 3.21Å; V32-L36 PolarHBondContact O-N 2.84Å; V32-M46 HydrophobicContact CG1-CE 4.37Å; V32-V51 HydrophobicContact CB-CG1 4.15Å; V32-V51 HydrophobicContact CG1-CG1 4.22Å; V32-V51 HydrophobicContact CG2-CG1 4.11Å; V32-H54 HydrophobicContact CG1-CB 4.32Å; V32-Y55 HydrophobicContact CG2-CD2 3.86Å; V32-Y55 HydrophobicContact CG2-CG 4.29Å
33	K	72.7	Confident	62.4	Low	62 Å²	62	80.5 Å²	80.5	27%	0.27	40%	0.401	S	S	.	.	H	α-helix	trans	-59.8	-42	178	-171.2	173.2	-173.3	164.7	0	111	F29 R30 H31 L36 K37 L42 D43	F29-K33 HydrophobicContact CE1-CD 4.05Å; F29-K33 WeakPolarHBondContact O-CB 3.29Å; F29-K33 PolarHBondContact O-N 3.26Å; R30-K33 PolarHBondContact O-N 2.88Å; H31-K33 VanDerWaalsContact C-N 3.33Å; K33-L36 CarbonylContact O-C 3.49Å; K33-L36 PolarHBondContact O-N 3.3Å; K33-K37 WeakPolarHBondContact O-CG 3.39Å; K33-K37 PolarHBondContact O-N 2.97Å; K33-L42 HydrophobicContact CB-CD1 4.34Å; K33-L42 HydrophobicContact CG-CB 4.3Å; K33-L42 HydrophobicContact CG-CD1 3.63Å; K33-L42 HydrophobicContact CG-CG 4.5Å; K33-L42 VanDerWaalsContact O-CD1 3.32Å; K33-L42 WeakPolarHBondContact O-CD1 3.17Å; K33-D43 IonicContact NZ-OD1 2.76Å
34	E	73.4	Confident	62.8	Low	53 Å²	53	82.3 Å²	82.3	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-64	-42.8	177.9	-81.3	167.3	-178.5	0	0	113.8	R30 H31 V32 L36 K37 H80	R30-E34 WeakPolarHBondContact O-CG 3.24Å; R30-E34 PolarHBondContact O-N 3.17Å; H31-E34 PolarHBondContact O-N 3.48Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 3.02Å; E34-L36 PolarHBondContact O-N 3.21Å; E34-K37 HydrophobicContact CG-CD 4.26Å; E34-K37 WeakPolarHBondContact O-CB 3.11Å; E34-K37 PolarHBondContact O-N 3.06Å; E34-K37 IonicContact OE1-NZ 3.77Å; E34-H80 IonicContact OE2-CD2 2.69Å; E34-H80 PolarHBondContact OE2-CD2 3.4Å; E34-H80 IonicContact OE2-CE1 2.95Å; E34-H80 IonicContact OE2-CG 3.36Å; E34-H80 IonicContact OE2-NE2 3.07Å; E34-H80 PolarHBondContact OE2-NE2 3.1Å
35	H	69.2	Low	63.2	Low	66 Å²	66	81.2 Å²	81.2	31%	0.306	43%	0.428	S	S	.	.	H	α-helix	trans	-64.2	-32.4	172.2	-90.7	-78.7	0	0	0	113.1	H31 V32 M58 H78 H80	H31-H35 AromaticContact NE2-CD2 3.54Å; H31-H35 AromaticContact NE2-NE2 3.72Å; H31-H35 PolarHBondContact O-N 3.44Å; V32-H35 PolarHBondContact O-N 3.34Å; H35-M58 HydrophobicContact CB-CE 3.45Å; H35-M58 VanDerWaalsContact CB-CE 3.45Å; H35-M58 HydrophobicContact CB-SD 4.21Å; H35-M58 PolarHBondContact CD2-SD 3.2Å; H35-H78 AromaticContact CE1-CE1 3.89Å; H35-H78 AromaticContact CE1-NE2 3.33Å; H35-H78 PolarHBondContact CE1-NE2 3.12Å; H35-H78 VanDerWaalsContact CE1-NE2 3.33Å; H35-H78 AromaticContact NE2-CD2 3.98Å; H35-H78 AromaticContact NE2-CE1 3.22Å; H35-H78 PolarHBondContact NE2-CE1 3.04Å; H35-H78 AromaticContact NE2-NE2 3.08Å; H35-H78 PolarHBondContact NE2-NE2 3.32Å; H35-H80 AromaticContact CD2-CE1 3.94Å; H35-H80 AromaticContact NE2-CE1 3.95Å
36	L	70.2	Confident	63.7	Low	4 Å²	4	81.7 Å²	81.7	2%	0.021	43%	0.426	C	S	.	.	H	α-helix	trans	-85	-15.4	-180	-73.7	159.4	0	0	0	113.4	V32 K33 E34 G38 R39 L40 L42 M46	V32-L36 HydrophobicContact CG1-CD1 3.28Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CB 2.96Å; V32-L36 VanDerWaalsContact O-CD1 3.32Å; V32-L36 WeakPolarHBondContact O-CD1 3.13Å; V32-L36 VanDerWaalsContact O-CG 3.31Å; V32-L36 WeakPolarHBondContact O-CG 3.21Å; V32-L36 PolarHBondContact O-N 2.84Å; K33-L36 CarbonylContact O-C 3.49Å; K33-L36 PolarHBondContact O-N 3.3Å; E34-L36 PolarHBondContact O-N 3.21Å; L36-G38 PolarHBondContact O-N 2.73Å; L36-R39 PolarHBondContact O-N 3.02Å; L36-L40 HydrophobicContact CD2-CB 4.09Å; L36-L40 HydrophobicContact CD2-CD1 3.51Å; L36-L40 HydrophobicContact CD2-CG 3.99Å; L36-L40 PolarHBondContact O-N 2.87Å; L36-L42 HydrophobicContact CB-CD1 3.29Å; L36-L42 HydrophobicContact CB-CD2 3.48Å; L36-L42 VanDerWaalsContact CB-CD2 3.48Å; L36-L42 HydrophobicContact CB-CG 3.82Å; L36-L42 HydrophobicContact CD1-CD2 3.41Å; L36-L42 VanDerWaalsContact CD1-CD2 3.41Å; L36-L42 HydrophobicContact CD2-CD2 4.36Å; L36-L42 HydrophobicContact CG-CD2 3.94Å; L36-M46 HydrophobicContact CD1-CE 4Å; L36-M46 HydrophobicContact CD1-SD 4.37Å
37	K	66.9	Low	64.3	Low	136 Å²	136	82.1 Å²	82.1	59%	0.591	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	104.9	177.1	-83.7	174.1	-169.9	170.4	0	108	K33 E34	K33-K37 WeakPolarHBondContact O-CG 3.39Å; K33-K37 PolarHBondContact O-N 2.97Å; E34-K37 HydrophobicContact CG-CD 4.26Å; E34-K37 WeakPolarHBondContact O-CB 3.11Å; E34-K37 PolarHBondContact O-N 3.06Å; E34-K37 IonicContact OE1-NZ 3.77Å
38	G	60.4	Low	64.8	Low	85 Å²	85	80.5 Å²	80.5	88%	0.876	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.2	-6.2	-178.3	0	0	0	0	0	115.9	L36	L36-G38 PolarHBondContact O-N 2.73Å
39	R	58.9	Low	65.4	Low	210 Å²	210	85 Å²	85	79%	0.792	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-30.5	176.7	-63.9	-177.3	67.5	85.6	0.3	114	L36	L36-R39 PolarHBondContact O-N 3.02Å
40	L	53.2	Low	66.1	Low	104 Å²	104	84.1 Å²	84.1	55%	0.545	46%	0.458	S	S	.	.	S	Bend	trans	-138.3	147.4	176.7	-71.7	174.2	0	0	0	110.5	L36 L42	L36-L40 HydrophobicContact CD2-CB 4.09Å; L36-L40 HydrophobicContact CD2-CD1 3.51Å; L36-L40 HydrophobicContact CD2-CG 3.99Å; L36-L40 PolarHBondContact O-N 2.87Å; L40-L42 HydrophobicContact CB-CD2 4.31Å; L40-L42 WeakPolarHBondContact O-CG 3.36Å; L40-L42 PolarHBondContact O-N 3.14Å; L40-L42 VanDerWaalsContact O-N 3.12Å
41	N	54.3	Low	66.7	Low	154 Å²	154	78.3 Å²	78.3	82%	0.824	44%	0.436	S	S	*	.			trans	-75.4	94.5	169.9	-68.3	-37.8	0	0	0	108.2	D43	N41-D43 PolarHBondContact O-N 2.91Å
42	L	55.9	Low	67.3	Low	17 Å²	17	79 Å²	79	9%	0.089	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	4.8	-169.7	-63.4	153.4	0	0	0	114.4	K33 L36 L40 E44 M46	K33-L42 HydrophobicContact CB-CD1 4.34Å; K33-L42 HydrophobicContact CG-CB 4.3Å; K33-L42 HydrophobicContact CG-CD1 3.63Å; K33-L42 HydrophobicContact CG-CG 4.5Å; K33-L42 VanDerWaalsContact O-CD1 3.32Å; K33-L42 WeakPolarHBondContact O-CD1 3.17Å; L36-L42 HydrophobicContact CB-CD1 3.29Å; L36-L42 HydrophobicContact CB-CD2 3.48Å; L36-L42 VanDerWaalsContact CB-CD2 3.48Å; L36-L42 HydrophobicContact CB-CG 3.82Å; L36-L42 HydrophobicContact CD1-CD2 3.41Å; L36-L42 VanDerWaalsContact CD1-CD2 3.41Å; L36-L42 HydrophobicContact CD2-CD2 4.36Å; L36-L42 HydrophobicContact CG-CD2 3.94Å; L40-L42 HydrophobicContact CB-CD2 4.31Å; L40-L42 WeakPolarHBondContact O-CG 3.36Å; L40-L42 PolarHBondContact O-N 3.14Å; L40-L42 VanDerWaalsContact O-N 3.12Å; L42-E44 VanDerWaalsContact C-N 3.28Å; L42-M46 HydrophobicContact CD2-CE 3.43Å; L42-M46 VanDerWaalsContact CD2-CE 3.43Å; L42-M46 HydrophobicContact CD2-SD 4.07Å
43	D	55.1	Low	67.9	Low	144 Å²	144	84.1 Å²	84.1	77%	0.77	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.2	-178.8	-67.4	-33.3	0	0	0	112.4	K33 N41 G45	K33-D43 IonicContact NZ-OD1 2.76Å; N41-D43 PolarHBondContact O-N 2.91Å; D43-G45 PolarHBondContact O-N 3.19Å
44	E	55.6	Low	68.4	Low	171 Å²	171	84.2 Å²	84.2	80%	0.799	46%	0.463	S	S	*	.	S	Bend	trans	-97.6	83.9	178.5	-64.6	-173.7	-165.1	0	0	111.6	L42 M46	L42-E44 VanDerWaalsContact C-N 3.28Å; E44-M46 PolarHBondContact O-N 2.82Å
45	G	57.7	Low	68.9	Low	76 Å²	76	84 Å²	84	78%	0.784	46%	0.46	S	S	*	.			trans	50	43.3	145.1	0	0	0	0	0	118.1	D43 S47	D43-G45 PolarHBondContact O-N 3.19Å; G45-S47 PolarHBondContact O-N 3.05Å
46	M	65.4	Low	69.8	Low	48 Å²	48	81 Å²	81	24%	0.236	45%	0.446	C	S	.	.			trans	-58.7	125	169.7	-70.5	-162.5	-65.9	0	0	109.6	F29 V32 L36 L42 E44 V51	F29-M46 HydrophobicContact CE2-CE 4.11Å; V32-M46 HydrophobicContact CG1-CE 4.37Å; L36-M46 HydrophobicContact CD1-CE 4Å; L36-M46 HydrophobicContact CD1-SD 4.37Å; L42-M46 HydrophobicContact CD2-CE 3.43Å; L42-M46 VanDerWaalsContact CD2-CE 3.43Å; L42-M46 HydrophobicContact CD2-SD 4.07Å; E44-M46 PolarHBondContact O-N 2.82Å; M46-V51 HydrophobicContact CB-CG2 3.84Å; M46-V51 HydrophobicContact CE-CG2 3.97Å; M46-V51 HydrophobicContact SD-CG2 4.48Å
47	S	73.2	Confident	70.6	Confident	66 Å²	66	85.4 Å²	85.4	46%	0.462	46%	0.462	S	S	.	.			trans	-61.3	150.9	170.2	65.4	0	0	0	0	109.9	G45 D49 S50 V51	G45-S47 PolarHBondContact O-N 3.05Å; S47-D49 PolarHBondContact O-N 2.83Å; S47-D49 VanDerWaalsContact O-N 3.12Å; S47-S50 WeakPolarHBondContact O-CB 3.35Å; S47-S50 PolarHBondContact O-N 2.7Å; S47-S50 WeakPolarHBondContact OG-CB 3.36Å; S47-S50 PolarHBondContact OG-N 2.96Å; S47-V51 WeakPolarHBondContact O-CG2 3.35Å; S47-V51 PolarHBondContact O-N 2.93Å; S47-V51 VanDerWaalsContact O-N 3.15Å
48	A	74.6	Confident	71.6	Confident	53 Å²	53	81.1 Å²	81.1	44%	0.438	45%	0.445	S	S	.	.	H	α-helix	trans	-53.7	-34.3	176.9	0	0	0	0	0	111.9	V51 K52	A48-V51 PolarHBondContact O-N 3.02Å; A48-K52 WeakPolarHBondContact O-CG 3.45Å; A48-K52 PolarHBondContact O-N 3.03Å; A48-K52 VanDerWaalsContact O-N 3.09Å
49	D	78.7	Confident	72.9	Confident	106 Å²	106	77.8 Å²	77.8	57%	0.567	41%	0.406	S	S	*	.	H	α-helix	trans	-70.7	-38.2	178.1	-58	-34.8	0	0	0	112.7	S47 V51 K52 F53	S47-D49 PolarHBondContact O-N 2.83Å; S47-D49 VanDerWaalsContact O-N 3.12Å; D49-V51 VanDerWaalsContact C-N 3.3Å; D49-V51 PolarHBondContact O-N 2.87Å; D49-K52 PolarHBondContact O-N 2.88Å; D49-F53 WeakPolarHBondContact O-CB 3.48Å; D49-F53 PolarHBondContact O-N 2.81Å
50	S	81.3	Confident	74.5	Confident	52 Å²	52	67.8 Å²	67.8	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-38.9	175.5	-173	0	0	0	0	111.4	S47 F53 H54	S47-S50 WeakPolarHBondContact O-CB 3.35Å; S47-S50 PolarHBondContact O-N 2.7Å; S47-S50 WeakPolarHBondContact OG-CB 3.36Å; S47-S50 PolarHBondContact OG-N 2.96Å; S50-F53 PolarHBondContact O-N 2.77Å; S50-H54 WeakPolarHBondContact O-CB 3.31Å; S50-H54 PolarHBondContact O-N 2.99Å
51	V	81.8	Confident	76.3	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-47.4	176.4	177	0	0	0	0	110.8	L28 F29 V32 M46 S47 A48 D49 H54 Y55	L28-V51 HydrophobicContact CG-CG1 4.3Å; F29-V51 HydrophobicContact CB-CG1 4.4Å; F29-V51 HydrophobicContact CD2-CG1 4.1Å; F29-V51 HydrophobicContact CD2-CG2 3.62Å; F29-V51 HydrophobicContact CE2-CG2 3.94Å; V32-V51 HydrophobicContact CB-CG1 4.15Å; V32-V51 HydrophobicContact CG1-CG1 4.22Å; V32-V51 HydrophobicContact CG2-CG1 4.11Å; M46-V51 HydrophobicContact CB-CG2 3.84Å; M46-V51 HydrophobicContact CE-CG2 3.97Å; M46-V51 HydrophobicContact SD-CG2 4.48Å; S47-V51 WeakPolarHBondContact O-CG2 3.35Å; S47-V51 PolarHBondContact O-N 2.93Å; S47-V51 VanDerWaalsContact O-N 3.15Å; A48-V51 PolarHBondContact O-N 3.02Å; D49-V51 VanDerWaalsContact C-N 3.3Å; D49-V51 PolarHBondContact O-N 2.87Å; V51-H54 PolarHBondContact O-N 2.97Å; V51-Y55 WeakPolarHBondContact O-CB 3.42Å; V51-Y55 PolarHBondContact O-N 2.8Å
52	K	81.6	Confident	78.1	Confident	47 Å²	47	63.4 Å²	63.4	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-44.9	176.6	-73.4	175.2	-178.9	-176.3	0	111.7	L28 A48 D49 Y55 F56 F121 I122	L28-K52 HydrophobicContact CD2-CG 3.82Å; A48-K52 WeakPolarHBondContact O-CG 3.45Å; A48-K52 PolarHBondContact O-N 3.03Å; A48-K52 VanDerWaalsContact O-N 3.09Å; D49-K52 PolarHBondContact O-N 2.88Å; K52-Y55 PolarHBondContact O-N 3.33Å; K52-F56 WeakPolarHBondContact O-CB 3.47Å; K52-F56 PolarHBondContact O-N 2.75Å; K52-F121 HydrophobicContact CB-CE1 4.27Å; K52-I122 HydrophobicContact CD-CG2 4.5Å
53	F	85.6	Confident	79.9	Confident	109 Å²	109	67.6 Å²	67.6	48%	0.478	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-44.4	177.3	-179.6	-103.5	0	0	0	111.9	D49 S50 Y55 F56 R57 F118	D49-F53 WeakPolarHBondContact O-CB 3.48Å; D49-F53 PolarHBondContact O-N 2.81Å; S50-F53 PolarHBondContact O-N 2.77Å; F53-Y55 VanDerWaalsContact C-N 3.33Å; F53-Y55 PolarHBondContact O-N 3.42Å; F53-F56 PolarHBondContact O-N 2.86Å; F53-R57 WeakPolarHBondContact O-CB 3.45Å; F53-R57 PolarHBondContact O-N 3.37Å; F53-F118 HydrophobicContact CB-CE2 4.03Å; F53-F118 HydrophobicContact CB-CZ 3.88Å; F53-F118 HydrophobicContact CD2-CD2 4.27Å; F53-F118 HydrophobicContact CD2-CE1 4.25Å; F53-F118 HydrophobicContact CD2-CE2 4Å; F53-F118 AromaticContact CD2-CZ 3.98Å; F53-F118 HydrophobicContact CD2-CZ 3.98Å; F53-F118 HydrophobicContact CG-CZ 4.45Å
54	H	84.3	Confident	81.8	Confident	64 Å²	64	63.2 Å²	63.2	30%	0.296	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177.4	-168.8	79.8	0	0	0	111.9	V32 S50 V51 R57 M58	V32-H54 HydrophobicContact CG1-CB 4.32Å; S50-H54 WeakPolarHBondContact O-CB 3.31Å; S50-H54 PolarHBondContact O-N 2.99Å; V51-H54 PolarHBondContact O-N 2.97Å; H54-R57 PolarHBondContact O-N 2.85Å; H54-M58 WeakPolarHBondContact O-CB 3.42Å; H54-M58 PolarHBondContact O-N 2.99Å
55	Y	82.9	Confident	83.7	Confident	47 Å²	47	57.8 Å²	57.8	18%	0.184	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-48.2	175.4	-176	-99.8	0	0	0	112.2	L28 H31 V32 V51 K52 F53 R57 M58 Y59 F121	L28-Y55 HydrophobicContact CD1-CD1 3.57Å; L28-Y55 HydrophobicContact CD1-CD2 3.21Å; L28-Y55 HydrophobicContact CD1-CE1 3.86Å; L28-Y55 HydrophobicContact CD1-CE2 3.52Å; L28-Y55 HydrophobicContact CD1-CG 3.21Å; L28-Y55 HydrophobicContact CG-CD2 4.46Å; L28-Y55 HydrophobicContact CG-CG 4.39Å; H31-Y55 AromaticContact CD2-CD2 3.82Å; H31-Y55 AromaticContact CD2-CE2 3.58Å; H31-Y55 AromaticContact NE2-CE2 3.98Å; V32-Y55 HydrophobicContact CG2-CD2 3.86Å; V32-Y55 HydrophobicContact CG2-CG 4.29Å; V51-Y55 WeakPolarHBondContact O-CB 3.42Å; V51-Y55 PolarHBondContact O-N 2.8Å; K52-Y55 PolarHBondContact O-N 3.33Å; F53-Y55 VanDerWaalsContact C-N 3.33Å; F53-Y55 PolarHBondContact O-N 3.42Å; Y55-R57 VanDerWaalsContact C-N 3.35Å; Y55-R57 PolarHBondContact O-N 2.89Å; Y55-M58 VanDerWaalsContact O-CB 3.29Å; Y55-M58 WeakPolarHBondContact O-CB 3.31Å; Y55-M58 PolarHBondContact O-N 3.11Å; Y55-Y59 HydrophobicContact CD2-CE2 4.02Å; Y55-Y59 HydrophobicContact CE1-CD2 4.28Å; Y55-Y59 HydrophobicContact CE1-CE2 4.23Å; Y55-Y59 HydrophobicContact CE2-CD2 4.3Å; Y55-Y59 AromaticContact CE2-CE2 3.54Å; Y55-Y59 HydrophobicContact CE2-CE2 3.54Å; Y55-Y59 AromaticContact CZ-CE2 3.65Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.33Å; Y55-F121 HydrophobicContact CD1-CE2 4.31Å; Y55-F121 AromaticContact CD1-CZ 3.72Å; Y55-F121 HydrophobicContact CD1-CZ 3.72Å; Y55-F121 HydrophobicContact CE1-CE2 4.38Å; Y55-F121 HydrophobicContact CE1-CZ 4.15Å
56	F	88.1	Confident	85.5	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-56.3	-49.9	176.6	-179	-90.5	0	0	0	111.4	K52 F53 M58 Y59 D60 A65 L67 F118 F121	K52-F56 WeakPolarHBondContact O-CB 3.47Å; K52-F56 PolarHBondContact O-N 2.75Å; F53-F56 PolarHBondContact O-N 2.86Å; F56-M58 PolarHBondContact O-N 2.9Å; F56-Y59 PolarHBondContact O-N 3Å; F56-D60 PolarHBondContact O-N 2.76Å; F56-A65 WeakPolarHBondContact CE1-O 3.35Å; F56-A65 WeakPolarHBondContact CZ-O 3.42Å; F56-L67 HydrophobicContact CD2-CD1 3.73Å; F56-L67 HydrophobicContact CD2-CG 4.07Å; F56-L67 HydrophobicContact CE2-CD1 3.75Å; F56-L67 HydrophobicContact CE2-CG 3.68Å; F56-L67 HydrophobicContact CZ-CG 4.12Å; F56-F118 HydrophobicContact CB-CD2 3.91Å; F56-F118 HydrophobicContact CB-CE2 4.2Å; F56-F118 HydrophobicContact CD1-CB 4.36Å; F56-F118 HydrophobicContact CD1-CD2 4.01Å; F56-F118 HydrophobicContact CD2-CD2 4.05Å; F56-F118 HydrophobicContact CE1-CB 4.11Å; F56-F118 HydrophobicContact CE2-CB 4.37Å; F56-F118 AromaticContact CG-CD2 3.72Å; F56-F118 HydrophobicContact CG-CD2 3.72Å; F56-F118 HydrophobicContact CG-CE2 4.49Å; F56-F118 HydrophobicContact CZ-CB 4.11Å; F56-F121 HydrophobicContact CB-CD1 4.29Å; F56-F121 HydrophobicContact CB-CE1 4.33Å; F56-F121 HydrophobicContact CD2-CB 3.84Å; F56-F121 AromaticContact CD2-CD1 3.99Å; F56-F121 HydrophobicContact CD2-CD1 3.99Å; F56-F121 HydrophobicContact CD2-CD2 4.27Å; F56-F121 AromaticContact CD2-CG 3.76Å; F56-F121 HydrophobicContact CD2-CG 3.76Å; F56-F121 HydrophobicContact CE2-CB 4.01Å; F56-F121 HydrophobicContact CE2-CG 4.4Å
57	R	88	Confident	86.9	Confident	97 Å²	97	56.7 Å²	56.7	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-23.1	-179.2	-166.5	69.9	173.3	144	-3.6	113.9	F53 H54 Y55 Y59 D60 K63	F53-R57 WeakPolarHBondContact O-CB 3.45Å; F53-R57 PolarHBondContact O-N 3.37Å; H54-R57 PolarHBondContact O-N 2.85Å; Y55-R57 VanDerWaalsContact C-N 3.35Å; Y55-R57 PolarHBondContact O-N 2.89Å; R57-Y59 VanDerWaalsContact C-N 3.34Å; R57-D60 IonicContact CZ-OD2 3.76Å; R57-D60 IonicContact NH1-OD2 3.89Å; R57-D60 PolarHBondContact NH1-OD2 2.88Å; R57-K63 PolarHBondContact O-NZ 3.4Å
58	M	87.2	Confident	87.9	Confident	46 Å²	46	55.1 Å²	55.1	23%	0.227	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-36.7	179	-172.8	-175.8	-64.2	0	0	111.4	H35 H54 Y55 F56	H35-M58 HydrophobicContact CB-CE 3.45Å; H35-M58 VanDerWaalsContact CB-CE 3.45Å; H35-M58 HydrophobicContact CB-SD 4.21Å; H35-M58 PolarHBondContact CD2-SD 3.2Å; H54-M58 WeakPolarHBondContact O-CB 3.42Å; H54-M58 PolarHBondContact O-N 2.99Å; Y55-M58 VanDerWaalsContact O-CB 3.29Å; Y55-M58 WeakPolarHBondContact O-CB 3.31Å; Y55-M58 PolarHBondContact O-N 3.11Å; F56-M58 PolarHBondContact O-N 2.9Å
59	Y	88.2	Confident	88.8	Confident	15 Å²	15	53.5 Å²	53.5	6%	0.059	27%	0.272	C	S	.	.	H	α-helix	trans	-97.9	-19.6	-175.9	-68.7	-70.1	0	0	0	114.4	H31 Y55 F56 R57 V61 E71 A75 H78	H31-Y59 PolarHBondContact CE1-OH 3.01Å; H31-Y59 AromaticContact NE2-CZ 3.95Å; H31-Y59 PolarHBondContact NE2-OH 3.42Å; Y55-Y59 HydrophobicContact CD2-CE2 4.02Å; Y55-Y59 HydrophobicContact CE1-CD2 4.28Å; Y55-Y59 HydrophobicContact CE1-CE2 4.23Å; Y55-Y59 HydrophobicContact CE2-CD2 4.3Å; Y55-Y59 AromaticContact CE2-CE2 3.54Å; Y55-Y59 HydrophobicContact CE2-CE2 3.54Å; Y55-Y59 AromaticContact CZ-CE2 3.65Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.33Å; F56-Y59 PolarHBondContact O-N 3Å; R57-Y59 VanDerWaalsContact C-N 3.34Å; Y59-V61 WeakPolarHBondContact O-CG2 3.42Å; Y59-V61 PolarHBondContact O-N 2.63Å; Y59-E71 WeakPolarHBondContact O-CB 3.3Å; Y59-E71 WeakPolarHBondContact O-CG 3.34Å; Y59-A75 HydrophobicContact CD1-CB 3.62Å; Y59-A75 HydrophobicContact CD2-CB 3.99Å; Y59-A75 HydrophobicContact CE1-CB 3.64Å; Y59-A75 HydrophobicContact CE2-CB 3.98Å; Y59-A75 HydrophobicContact CG-CB 3.78Å; Y59-H78 HydrophobicContact CE1-CB 4.28Å
60	D	91.9	Very high	89.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.			trans	-66.9	89.1	165.7	166.2	19.9	0	0	0	109.2	F56 R57 N62 K63 D64 A65 L67	F56-D60 PolarHBondContact O-N 2.76Å; R57-D60 IonicContact CZ-OD2 3.76Å; R57-D60 IonicContact NH1-OD2 3.89Å; R57-D60 PolarHBondContact NH1-OD2 2.88Å; D60-N62 PolarHBondContact OD1-OD1 2.83Å; D60-K63 WeakPolarHBondContact O-CD 3.34Å; D60-K63 VanDerWaalsContact O-CE 3.22Å; D60-K63 WeakPolarHBondContact O-CE 3.28Å; D60-K63 PolarHBondContact O-NZ 2.96Å; D60-K63 WeakPolarHBondContact OD1-CA 3.26Å; D60-K63 PolarHBondContact OD1-N 3.05Å; D60-K63 WeakPolarHBondContact OD2-CA 3.43Å; D60-D64 PolarHBondContact OD1-N 3.04Å; D60-A65 PolarHBondContact OD2-N 3.03Å; D60-L67 HydrophobicContact CB-CD2 4.04Å
61	V	90	Very high	90.1	Very high	83 Å²	83	49.9 Å²	49.9	50%	0.503	25%	0.251	S	S	.	.	S	Bend	trans	-78.5	-40.8	-174.6	176.4	0	0	0	0	110.6	Y59 K63 E71 K74	Y59-V61 WeakPolarHBondContact O-CG2 3.42Å; Y59-V61 PolarHBondContact O-N 2.63Å; V61-K63 VanDerWaalsContact C-N 3.28Å; V61-K63 PolarHBondContact O-N 3.3Å; V61-E71 PolarHBondContact N-OE1 3.37Å; V61-K74 HydrophobicContact CG2-CD 4.13Å
62	N	93.6	Very high	90.5	Very high	83 Å²	83	50.3 Å²	50.3	44%	0.444	25%	0.253	S	S	.	.	S	Bend	trans	-79.6	-9.9	-176.6	69.2	22.5	0	0	0	113.1	D60 D64 E71	D60-N62 PolarHBondContact OD1-OD1 2.83Å; N62-D64 WeakPolarHBondContact OD1-CB 3.28Å; N62-D64 PolarHBondContact OD1-N 2.67Å; N62-D64 PolarHBondContact OD1-OD1 3.36Å; N62-E71 PolarHBondContact N-OE1 3.16Å
63	K	93.2	Very high	90.8	Very high	105 Å²	105	50.4 Å²	50.4	46%	0.457	26%	0.256	S	S	.	.			trans	67.5	28.7	176.5	-51.7	-62.1	169.5	-160.3	0	114	R57 D60 V61 A65	R57-K63 PolarHBondContact O-NZ 3.4Å; D60-K63 WeakPolarHBondContact O-CD 3.34Å; D60-K63 VanDerWaalsContact O-CE 3.22Å; D60-K63 WeakPolarHBondContact O-CE 3.28Å; D60-K63 PolarHBondContact O-NZ 2.96Å; D60-K63 WeakPolarHBondContact OD1-CA 3.26Å; D60-K63 PolarHBondContact OD1-N 3.05Å; D60-K63 WeakPolarHBondContact OD2-CA 3.43Å; V61-K63 VanDerWaalsContact C-N 3.28Å; V61-K63 PolarHBondContact O-N 3.3Å; K63-A65 VanDerWaalsContact C-N 3.3Å
64	D	95.7	Very high	90.7	Very high	52 Å²	52	49.6 Å²	49.6	28%	0.278	25%	0.252	S	S	.	.	S	Bend	trans	-88.7	4.9	177.6	84	-16.6	0	0	0	113.9	D60 N62 R66	D60-D64 PolarHBondContact OD1-N 3.04Å; N62-D64 WeakPolarHBondContact OD1-CB 3.28Å; N62-D64 PolarHBondContact OD1-N 2.67Å; N62-D64 PolarHBondContact OD1-OD1 3.36Å; D64-R66 PolarHBondContact O-N 3.47Å; D64-R66 WeakPolarHBondContact OD1-CB 3.3Å; D64-R66 PolarHBondContact OD1-N 3.25Å; D64-R66 IonicContact OD2-CZ 3.41Å; D64-R66 IonicContact OD2-NE 3.85Å; D64-R66 PolarHBondContact OD2-NE 2.91Å; D64-R66 VanDerWaalsContact OD2-NE 3.11Å; D64-R66 IonicContact OD2-NH2 2.68Å; D64-R66 PolarHBondContact OD2-NH2 3.09Å
65	A	94.4	Very high	90.7	Very high	57 Å²	57	47.8 Å²	47.8	47%	0.471	25%	0.248	S	C	.	.	S	Bend	trans	65.4	23.4	-179.6	0	0	0	0	0	114.6	F56 D60 K63	F56-A65 WeakPolarHBondContact CE1-O 3.35Å; F56-A65 WeakPolarHBondContact CZ-O 3.42Å; D60-A65 PolarHBondContact OD2-N 3.03Å; K63-A65 VanDerWaalsContact C-N 3.3Å
66	R	96.1	Very high	90.6	Very high	84 Å²	84	46 Å²	46	32%	0.317	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	167.1	173.9	-63.1	176.4	-64	177.6	5.2	109.8	D64 Y115 I116 D117	D64-R66 PolarHBondContact O-N 3.47Å; D64-R66 WeakPolarHBondContact OD1-CB 3.3Å; D64-R66 PolarHBondContact OD1-N 3.25Å; D64-R66 IonicContact OD2-CZ 3.41Å; D64-R66 IonicContact OD2-NE 3.85Å; D64-R66 PolarHBondContact OD2-NE 2.91Å; D64-R66 VanDerWaalsContact OD2-NE 3.11Å; D64-R66 IonicContact OD2-NH2 2.68Å; D64-R66 PolarHBondContact OD2-NH2 3.09Å; R66-Y115 HydrophobicContact CB-CD1 4.09Å; R66-Y115 HydrophobicContact CB-CG 4.36Å; R66-I116 CarbonylContact C-O 3.56Å; R66-I116 WeakPolarHBondContact CA-O 3.47Å; R66-D117 HydrophobicContact CG-CB 4.28Å
67	L	94.1	Very high	90.2	Very high	16 Å²	16	49 Å²	49	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.6	173	-62.8	176.2	0	0	0	109.8	F56 D60 E71 I72 Y115 I116	F56-L67 HydrophobicContact CD2-CD1 3.73Å; F56-L67 HydrophobicContact CD2-CG 4.07Å; F56-L67 HydrophobicContact CE2-CD1 3.75Å; F56-L67 HydrophobicContact CE2-CG 3.68Å; F56-L67 HydrophobicContact CZ-CG 4.12Å; D60-L67 HydrophobicContact CB-CD2 4.04Å; L67-E71 WeakPolarHBondContact CA-OE2 3.45Å; L67-E71 HydrophobicContact CD2-CB 4.3Å; L67-I72 HydrophobicContact CB-CG1 4.48Å; L67-Y115 WeakPolarHBondContact O-CA 3.47Å; L67-I116 HydrophobicContact CB-CB 4.4Å; L67-I116 PolarHBondContact N-O 2.95Å; L67-I116 PolarHBondContact O-N 3.22Å
68	D	94.8	Very high	89.6	Confident	33 Å²	33	47.7 Å²	47.7	18%	0.176	26%	0.259	C	S	.	.			trans	-90.6	170.8	171.5	74	40.9	0	0	0	112.7	T70 E71 I72 Y115	D68-T70 PolarHBondContact O-N 3.33Å; D68-T70 VanDerWaalsContact OD1-CA 3.29Å; D68-T70 WeakPolarHBondContact OD1-CA 3.46Å; D68-T70 WeakPolarHBondContact OD1-CB 3.24Å; D68-T70 PolarHBondContact OD1-N 3.27Å; D68-T70 PolarHBondContact OD1-OG1 2.75Å; D68-E71 PolarHBondContact N-OE2 2.93Å; D68-E71 PolarHBondContact O-N 3.02Å; D68-E71 VanDerWaalsContact O-N 3.11Å; D68-E71 PolarHBondContact OD1-N 2.94Å; D68-I72 VanDerWaalsContact O-CG1 3.3Å; D68-I72 WeakPolarHBondContact O-CG1 3.36Å; D68-I72 PolarHBondContact O-N 3.46Å; D68-Y115 HydrophobicContact CB-CD1 3.98Å; D68-Y115 HydrophobicContact CB-CE1 3.82Å
69	G	93.7	Very high	88.6	Confident	19 Å²	19	48.3 Å²	48.3	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-34.2	178.8	0	0	0	0	0	114.5	I73 V101	G69-I73 VanDerWaalsContact O-CG1 3.24Å; G69-I73 WeakPolarHBondContact O-CG1 3.34Å; G69-I73 PolarHBondContact O-N 3.44Å; G69-V101 WeakPolarHBondContact O-CG2 3.29Å
70	T	93.5	Very high	87.3	Confident	79 Å²	79	50.5 Å²	50.5	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-75.4	-32.6	178.9	74.9	0	0	0	0	112.3	D68 I73 K74	D68-T70 PolarHBondContact O-N 3.33Å; D68-T70 VanDerWaalsContact OD1-CA 3.29Å; D68-T70 WeakPolarHBondContact OD1-CA 3.46Å; D68-T70 WeakPolarHBondContact OD1-CB 3.24Å; D68-T70 PolarHBondContact OD1-N 3.27Å; D68-T70 PolarHBondContact OD1-OG1 2.75Å; T70-I73 PolarHBondContact O-N 3.11Å; T70-K74 WeakPolarHBondContact O-CG 3.2Å; T70-K74 PolarHBondContact O-N 3.36Å
71	E	92.6	Very high	85.5	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-71.9	-38.2	173.7	-68.6	174.5	143.6	0	0	111.2	Y59 V61 N62 L67 D68 K74 A75	Y59-E71 WeakPolarHBondContact O-CB 3.3Å; Y59-E71 WeakPolarHBondContact O-CG 3.34Å; V61-E71 PolarHBondContact N-OE1 3.37Å; N62-E71 PolarHBondContact N-OE1 3.16Å; L67-E71 WeakPolarHBondContact CA-OE2 3.45Å; L67-E71 HydrophobicContact CD2-CB 4.3Å; D68-E71 PolarHBondContact N-OE2 2.93Å; D68-E71 PolarHBondContact O-N 3.02Å; D68-E71 VanDerWaalsContact O-N 3.11Å; D68-E71 PolarHBondContact OD1-N 2.94Å; E71-K74 WeakPolarHBondContact O-CB 3.47Å; E71-K74 PolarHBondContact O-N 3.11Å; E71-A75 PolarHBondContact O-N 3.33Å
72	I	90.2	Very high	83.6	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-48	169	-65.3	165.5	0	0	0	109.7	L67 D68 K74 A75 V76 V101 T104 L105 I116	L67-I72 HydrophobicContact CB-CG1 4.48Å; D68-I72 VanDerWaalsContact O-CG1 3.3Å; D68-I72 WeakPolarHBondContact O-CG1 3.36Å; D68-I72 PolarHBondContact O-N 3.46Å; I72-K74 VanDerWaalsContact C-N 3.31Å; I72-K74 PolarHBondContact O-N 3.03Å; I72-A75 WeakPolarHBondContact O-CA 3.04Å; I72-A75 WeakPolarHBondContact O-CB 3.48Å; I72-A75 PolarHBondContact O-N 3.19Å; I72-V76 HydrophobicContact CG2-CG2 4.21Å; I72-V76 WeakPolarHBondContact O-CG2 3.33Å; I72-V76 PolarHBondContact O-N 2.69Å; I72-V101 HydrophobicContact CB-CG2 4.46Å; I72-V101 HydrophobicContact CG2-CG2 4.2Å; I72-T104 HydrophobicContact CD1-CG2 4.11Å; I72-T104 HydrophobicContact CG2-CG2 4.25Å; I72-L105 HydrophobicContact CD1-CD2 4.05Å; I72-L105 HydrophobicContact CD1-CG 4.38Å; I72-I116 HydrophobicContact CD1-CD1 3.84Å
73	I	88.4	Confident	81.6	Confident	50 Å²	50	56.2 Å²	56.2	26%	0.256	33%	0.333	S	S	.	.	H	α-helix	trans	-56.3	-44.8	176.3	-72.6	165.2	0	0	0	111.4	G69 T70 A75 V76 T77 L97 V101	G69-I73 VanDerWaalsContact O-CG1 3.24Å; G69-I73 WeakPolarHBondContact O-CG1 3.34Å; G69-I73 PolarHBondContact O-N 3.44Å; T70-I73 PolarHBondContact O-N 3.11Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 2.68Å; I73-V76 WeakPolarHBondContact O-CA 3.48Å; I73-V76 WeakPolarHBondContact O-CB 3.44Å; I73-V76 PolarHBondContact O-N 2.95Å; I73-T77 HydrophobicContact CG2-CG2 4.24Å; I73-T77 WeakPolarHBondContact O-CG2 3.34Å; I73-T77 PolarHBondContact O-N 2.69Å; I73-T77 PolarHBondContact O-OG1 2.76Å; I73-T77 VanDerWaalsContact O-OG1 3.09Å; I73-L97 HydrophobicContact CD1-CB 4.34Å; I73-L97 HydrophobicContact CG1-CB 4.26Å; I73-L97 HydrophobicContact CG2-CD1 3.99Å; I73-L97 HydrophobicContact CG2-CD2 4.27Å; I73-V101 HydrophobicContact CD1-CG2 3.92Å; I73-V101 HydrophobicContact CG1-CG2 3.56Å
74	K	85	Confident	79.7	Confident	92 Å²	92	55 Å²	55	40%	0.4	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-39.5	176.3	-71.8	168.1	-172.1	159.4	0	111.7	V61 T70 E71 I72 V76 H78	V61-K74 HydrophobicContact CG2-CD 4.13Å; T70-K74 WeakPolarHBondContact O-CG 3.2Å; T70-K74 PolarHBondContact O-N 3.36Å; E71-K74 WeakPolarHBondContact O-CB 3.47Å; E71-K74 PolarHBondContact O-N 3.11Å; I72-K74 VanDerWaalsContact C-N 3.31Å; I72-K74 PolarHBondContact O-N 3.03Å; K74-V76 VanDerWaalsContact C-N 3.34Å; K74-H78 VanDerWaalsContact O-CB 3.3Å; K74-H78 WeakPolarHBondContact O-CB 3.43Å; K74-H78 PolarHBondContact O-N 2.95Å; K74-H78 VanDerWaalsContact O-N 3.12Å
75	A	83.4	Confident	77.5	Confident	25 Å²	25	59 Å²	59	21%	0.207	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-38.7	173.7	0	0	0	0	0	112.3	Y59 E71 I72 I73	Y59-A75 HydrophobicContact CD1-CB 3.62Å; Y59-A75 HydrophobicContact CD2-CB 3.99Å; Y59-A75 HydrophobicContact CE1-CB 3.64Å; Y59-A75 HydrophobicContact CE2-CB 3.98Å; Y59-A75 HydrophobicContact CG-CB 3.78Å; E71-A75 PolarHBondContact O-N 3.33Å; I72-A75 WeakPolarHBondContact O-CA 3.04Å; I72-A75 WeakPolarHBondContact O-CB 3.48Å; I72-A75 PolarHBondContact O-N 3.19Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 2.68Å
76	V	80.4	Confident	75.3	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-44.6	178.9	176.5	0	0	0	0	112.9	L3 I72 I73 K74 F92 L97 I100	L3-V76 HydrophobicContact CB-CG1 4.39Å; L3-V76 HydrophobicContact CD1-CB 3.35Å; L3-V76 HydrophobicContact CD1-CG1 3.41Å; L3-V76 VanDerWaalsContact CD1-CG1 3.41Å; L3-V76 HydrophobicContact CD1-CG2 3.17Å; I72-V76 HydrophobicContact CG2-CG2 4.21Å; I72-V76 WeakPolarHBondContact O-CG2 3.33Å; I72-V76 PolarHBondContact O-N 2.69Å; I73-V76 WeakPolarHBondContact O-CA 3.48Å; I73-V76 WeakPolarHBondContact O-CB 3.44Å; I73-V76 PolarHBondContact O-N 2.95Å; K74-V76 VanDerWaalsContact C-N 3.34Å; V76-F92 HydrophobicContact CG1-CD2 4.27Å; V76-F92 HydrophobicContact CG1-CE2 3.9Å; V76-F92 HydrophobicContact CG1-CZ 4.06Å; V76-L97 HydrophobicContact CG1-CD2 3.92Å; V76-I100 HydrophobicContact CG1-CD1 3.83Å; V76-I100 HydrophobicContact CG2-CG2 3.78Å
77	T	79.7	Confident	73.2	Confident	67 Å²	67	60.5 Å²	60.5	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-88.4	-7.6	-173.2	60.6	0	0	0	0	112.6	I73 S79 F92 L97	I73-T77 HydrophobicContact CG2-CG2 4.24Å; I73-T77 WeakPolarHBondContact O-CG2 3.34Å; I73-T77 PolarHBondContact O-N 2.69Å; I73-T77 PolarHBondContact O-OG1 2.76Å; I73-T77 VanDerWaalsContact O-OG1 3.09Å; T77-S79 PolarHBondContact O-N 2.76Å; T77-F92 HydrophobicContact CG2-CD2 4.31Å; T77-L97 HydrophobicContact CG2-CD2 3.93Å
78	H	74.6	Confident	71.2	Confident	68 Å²	68	65 Å²	65	32%	0.315	40%	0.404	S	S	.	.			trans	-69.9	103.9	178.7	-176.9	-70.5	0	0	0	110.7	H31 H35 Y59 K74 H80	H31-H78 AromaticContact CE1-CE1 3.85Å; H31-H78 AromaticContact CE1-ND1 3.51Å; H35-H78 AromaticContact CE1-CE1 3.89Å; H35-H78 AromaticContact CE1-NE2 3.33Å; H35-H78 PolarHBondContact CE1-NE2 3.12Å; H35-H78 VanDerWaalsContact CE1-NE2 3.33Å; H35-H78 AromaticContact NE2-CD2 3.98Å; H35-H78 AromaticContact NE2-CE1 3.22Å; H35-H78 PolarHBondContact NE2-CE1 3.04Å; H35-H78 AromaticContact NE2-NE2 3.08Å; H35-H78 PolarHBondContact NE2-NE2 3.32Å; Y59-H78 HydrophobicContact CE1-CB 4.28Å; K74-H78 VanDerWaalsContact O-CB 3.3Å; K74-H78 WeakPolarHBondContact O-CB 3.43Å; K74-H78 PolarHBondContact O-N 2.95Å; K74-H78 VanDerWaalsContact O-N 3.12Å; H78-H80 AromaticContact CE1-CE1 3.59Å; H78-H80 AromaticContact CE1-ND1 3.76Å; H78-H80 AromaticContact CE1-NE2 3.97Å
79	S	66.2	Low	69.3	Low	60 Å²	60	69.4 Å²	69.4	42%	0.42	43%	0.428	S	S	.	.			trans	-108.4	134	173	-159.8	0	0	0	0	110.5	T77 A81 T87	T77-S79 PolarHBondContact O-N 2.76Å; S79-A81 PolarHBondContact O-N 3.06Å; S79-T87 PolarHBondContact OG-OG1 3.05Å; S79-T87 VanDerWaalsContact OG-OG1 3.1Å
80	H	62.6	Low	67.7	Low	60 Å²	60	70.9 Å²	70.9	28%	0.278	43%	0.433	S	S	.	.			trans	-75.4	103.2	162.1	-68.8	-61.1	0	0	0	107.1	H31 E34 H35 H78 D82	H31-H80 AromaticContact CE1-NE2 3.83Å; H31-H80 AromaticContact ND1-CD2 3.98Å; H31-H80 AromaticContact ND1-NE2 3.54Å; E34-H80 IonicContact OE2-CD2 2.69Å; E34-H80 PolarHBondContact OE2-CD2 3.4Å; E34-H80 IonicContact OE2-CE1 2.95Å; E34-H80 IonicContact OE2-CG 3.36Å; E34-H80 IonicContact OE2-NE2 3.07Å; E34-H80 PolarHBondContact OE2-NE2 3.1Å; H35-H80 AromaticContact CD2-CE1 3.94Å; H35-H80 AromaticContact NE2-CE1 3.95Å; H78-H80 AromaticContact CE1-CE1 3.59Å; H78-H80 AromaticContact CE1-ND1 3.76Å; H78-H80 AromaticContact CE1-NE2 3.97Å; H80-D82 VanDerWaalsContact C-N 3.3Å; H80-D82 PolarHBondContact O-N 2.93Å
81	A	53.4	Low	66.6	Low	79 Å²	79	75.5 Å²	75.5	65%	0.653	45%	0.449	S	S	*	.			trans	-73.9	93	165.2	0	0	0	0	0	106.9	S79 A83	S79-A81 PolarHBondContact O-N 3.06Å; A81-A83 PolarHBondContact O-N 3.2Å
82	D	50.8	Low	65.9	Low	94 Å²	94	76.8 Å²	76.8	50%	0.503	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-59.4	124.7	163.7	-76.6	-35.9	0	0	0	107	H80 A84 H85	H80-D82 VanDerWaalsContact C-N 3.3Å; H80-D82 PolarHBondContact O-N 2.93Å; D82-A84 PolarHBondContact O-N 3.4Å; D82-H85 HydrophobicContact CB-CB 4.46Å; D82-H85 CarbonylContact O-C 3.07Å; D82-H85 PolarHBondContact O-N 2.94Å; D82-H85 VanDerWaalsContact O-O 3.13Å
83	A	51.3	Low	65.9	Low	114 Å²	114	78.4 Å²	78.4	94%	0.942	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.8	175	0	0	0	0	0	112.4	A81	A81-A83 PolarHBondContact O-N 3.2Å
84	A	53.5	Low	65.9	Low	80 Å²	80	81.7 Å²	81.7	66%	0.661	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-28.6	174.5	0	0	0	0	0	114	D82	D82-A84 PolarHBondContact O-N 3.4Å
85	H	49.6	Very low	66.3	Low	134 Å²	134	82.4 Å²	82.4	62%	0.62	49%	0.49	S	S	*	.	B	Isolated β-bridge	trans	-140.8	87.8	-177.6	-66.3	-43.7	0	0	0	109	D82 T87	D82-H85 HydrophobicContact CB-CB 4.46Å; D82-H85 CarbonylContact O-C 3.07Å; D82-H85 PolarHBondContact O-N 2.94Å; D82-H85 VanDerWaalsContact O-O 3.13Å; H85-T87 PolarHBondContact O-N 3.42Å
86	P	46.9	Very low	66.5	Low	105 Å²	105	84.4 Å²	84.4	68%	0.682	50%	0.497	S	S	*	.			trans	-62.5	93.9	166.7	25.5	-31	0	0	0	107.1
87	T	52.3	Low	66.9	Low	68 Å²	68	84.9 Å²	84.9	42%	0.417	50%	0.5	S	S	.	.			trans	-54.4	127.4	166.6	50.4	0	0	0	0	105.7	S79 H85 N89	S79-T87 PolarHBondContact OG-OG1 3.05Å; S79-T87 VanDerWaalsContact OG-OG1 3.1Å; H85-T87 PolarHBondContact O-N 3.42Å; T87-N89 PolarHBondContact O-N 2.83Å
88	P	51.6	Low	67.5	Low	111 Å²	111	87.3 Å²	87.3	72%	0.721	51%	0.506	S	S	*	.			trans	-51.6	120.3	178	18.7	-29.4	0	0	0	106.6	T90	P88-T90 VanDerWaalsContact C-N 3.33Å; P88-T90 PolarHBondContact O-N 2.91Å; P88-T90 PolarHBondContact O-OG1 3.25Å
89	N	55.3	Low	68.3	Low	126 Å²	126	90.9 Å²	90.9	67%	0.674	52%	0.517	S	S	*	.			trans	-46.9	106	178.4	-163	19.3	0	0	0	105.1	T87 Q91	T87-N89 PolarHBondContact O-N 2.83Å; N89-Q91 PolarHBondContact O-N 3.07Å
90	T	61.3	Low	69.3	Low	49 Å²	49	88.3 Å²	88.3	30%	0.301	50%	0.498	S	S	.	.			trans	-71.3	97.5	-173.8	-61	0	0	0	0	104.1	M1 P88 F92	M1-T90 HydrophobicContact CG-CG2 4.23Å; M1-T90 VanDerWaalsContact N-CG2 3.31Å; M1-T90 PolarHBondContact N-OG1 3.36Å; P88-T90 VanDerWaalsContact C-N 3.33Å; P88-T90 PolarHBondContact O-N 2.91Å; P88-T90 PolarHBondContact O-OG1 3.25Å; T90-F92 VanDerWaalsContact C-N 3.34Å; T90-F92 HydrophobicContact CG2-CD1 4.26Å; T90-F92 HydrophobicContact CG2-CD2 4Å; T90-F92 HydrophobicContact CG2-CE1 3.9Å; T90-F92 HydrophobicContact CG2-CE2 3.63Å; T90-F92 HydrophobicContact CG2-CG 4.32Å; T90-F92 HydrophobicContact CG2-CZ 3.59Å; T90-F92 VanDerWaalsContact O-CD2 3.31Å; T90-F92 WeakPolarHBondContact O-CD2 3.43Å; T90-F92 PolarHBondContact O-N 2.74Å
91	Q	69.3	Low	70.6	Confident	177 Å²	177	86.1 Å²	86.1	83%	0.827	49%	0.489	S	S	*	.			trans	-72.5	99.1	173.6	-68.1	-177	58.8	0	0	105.6	N89	N89-Q91 PolarHBondContact O-N 3.07Å
92	F	79.2	Confident	72.4	Confident	29 Å²	29	87.4 Å²	87.4	13%	0.127	49%	0.485	C	S	.	.			trans	-76.7	137	163.7	-63.4	-81.8	0	0	0	107.1	V4 V76 T77 T90 D96 L97 I100	V4-F92 HydrophobicContact CG2-CE1 4.08Å; V76-F92 HydrophobicContact CG1-CD2 4.27Å; V76-F92 HydrophobicContact CG1-CE2 3.9Å; V76-F92 HydrophobicContact CG1-CZ 4.06Å; T77-F92 HydrophobicContact CG2-CD2 4.31Å; T90-F92 VanDerWaalsContact C-N 3.34Å; T90-F92 HydrophobicContact CG2-CD1 4.26Å; T90-F92 HydrophobicContact CG2-CD2 4Å; T90-F92 HydrophobicContact CG2-CE1 3.9Å; T90-F92 HydrophobicContact CG2-CE2 3.63Å; T90-F92 HydrophobicContact CG2-CG 4.32Å; T90-F92 HydrophobicContact CG2-CZ 3.59Å; T90-F92 VanDerWaalsContact O-CD2 3.31Å; T90-F92 WeakPolarHBondContact O-CD2 3.43Å; T90-F92 PolarHBondContact O-N 2.74Å; F92-D96 HydrophobicContact CB-CB 4.37Å; F92-D96 HydrophobicContact CD1-CB 4.4Å; F92-L97 HydrophobicContact CB-CD1 4.39Å; F92-L97 HydrophobicContact CB-CD2 3.59Å; F92-L97 HydrophobicContact CB-CG 3.69Å; F92-L97 HydrophobicContact CD2-CD2 4.15Å; F92-L97 HydrophobicContact CG-CD2 3.92Å; F92-I100 HydrophobicContact CD1-CD1 4.07Å; F92-I100 HydrophobicContact CE1-CD1 3.98Å
93	S	88.4	Confident	74.4	Confident	48 Å²	48	88.1 Å²	88.1	34%	0.336	48%	0.48	S	S	.	.			trans	-71.3	162.4	165.2	82.2	0	0	0	0	109.6	E95 D96 L97	S93-E95 WeakPolarHBondContact CB-OE2 3.37Å; S93-E95 PolarHBondContact O-N 2.97Å; S93-E95 PolarHBondContact OG-N 3.18Å; S93-E95 PolarHBondContact OG-OE2 3.21Å; S93-D96 PolarHBondContact O-N 3.31Å; S93-D96 VanDerWaalsContact O-N 3.09Å; S93-D96 PolarHBondContact OG-N 2.79Å; S93-L97 PolarHBondContact O-N 3.47Å
94	D	89.9	Confident	76.1	Confident	118 Å²	118	83.8 Å²	83.8	63%	0.631	44%	0.443	S	S	*	.	H	α-helix	trans	-58.6	-39.2	177.1	-67.7	-4.8	0	0	0	110.4	D96 L97 E98	D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 PolarHBondContact O-N 2.77Å; D94-L97 WeakPolarHBondContact O-CB 3.45Å; D94-L97 PolarHBondContact O-N 2.85Å; D94-E98 WeakPolarHBondContact O-CG 3.47Å; D94-E98 PolarHBondContact O-N 3.43Å
95	E	91.9	Very high	77.9	Confident	108 Å²	108	81.5 Å²	81.5	51%	0.505	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-32.9	177.2	-54	80	-176.4	0	0	112.8	S93 R99	S93-E95 WeakPolarHBondContact CB-OE2 3.37Å; S93-E95 PolarHBondContact O-N 2.97Å; S93-E95 PolarHBondContact OG-N 3.18Å; S93-E95 PolarHBondContact OG-OE2 3.21Å; E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 WeakPolarHBondContact O-CD 3.46Å; E95-R99 WeakPolarHBondContact O-CG 3.48Å; E95-R99 PolarHBondContact O-N 2.7Å; E95-R99 VanDerWaalsContact O-N 3.1Å
96	D	89	Confident	79.8	Confident	67 Å²	67	79.1 Å²	79.1	36%	0.358	42%	0.423	S	S	.	.	H	α-helix	trans	-70.8	-38.3	174.8	-78.3	-23.6	0	0	0	111.3	F92 S93 D94 R99 I100	F92-D96 HydrophobicContact CB-CB 4.37Å; F92-D96 HydrophobicContact CD1-CB 4.4Å; S93-D96 PolarHBondContact O-N 3.31Å; S93-D96 VanDerWaalsContact O-N 3.09Å; S93-D96 PolarHBondContact OG-N 2.79Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 PolarHBondContact O-N 2.77Å; D96-R99 IonicContact OD1-NH1 3.63Å; D96-I100 WeakPolarHBondContact O-CD1 3.47Å; D96-I100 WeakPolarHBondContact O-CG1 3.45Å; D96-I100 PolarHBondContact O-N 3.42Å; D96-I100 VanDerWaalsContact O-N 3.09Å
97	L	88.2	Confident	81.8	Confident	21 Å²	21	77.9 Å²	77.9	11%	0.11	42%	0.416	C	S	.	.	H	α-helix	trans	-65.5	-47.4	175.3	-69	177.1	0	0	0	111.3	I73 V76 T77 F92 S93 D94 R99 I100 V101	I73-L97 HydrophobicContact CD1-CB 4.34Å; I73-L97 HydrophobicContact CG1-CB 4.26Å; I73-L97 HydrophobicContact CG2-CD1 3.99Å; I73-L97 HydrophobicContact CG2-CD2 4.27Å; V76-L97 HydrophobicContact CG1-CD2 3.92Å; T77-L97 HydrophobicContact CG2-CD2 3.93Å; F92-L97 HydrophobicContact CB-CD1 4.39Å; F92-L97 HydrophobicContact CB-CD2 3.59Å; F92-L97 HydrophobicContact CB-CG 3.69Å; F92-L97 HydrophobicContact CD2-CD2 4.15Å; F92-L97 HydrophobicContact CG-CD2 3.92Å; S93-L97 PolarHBondContact O-N 3.47Å; D94-L97 WeakPolarHBondContact O-CB 3.45Å; D94-L97 PolarHBondContact O-N 2.85Å; L97-R99 VanDerWaalsContact C-N 3.33Å; L97-R99 PolarHBondContact O-N 2.96Å; L97-I100 PolarHBondContact O-N 3.36Å; L97-V101 WeakPolarHBondContact O-CG2 3.3Å; L97-V101 PolarHBondContact O-N 3.21Å
98	E	92.5	Very high	83.6	Confident	117 Å²	117	76.3 Å²	76.3	55%	0.547	40%	0.404	S	S	.	.	H	α-helix	trans	-53.1	-50.5	174.2	-75.1	175.2	-177.7	0	0	110.9	D94 I100 V101 D102	D94-E98 WeakPolarHBondContact O-CG 3.47Å; D94-E98 PolarHBondContact O-N 3.43Å; E98-I100 PolarHBondContact O-N 3.46Å; E98-V101 PolarHBondContact O-N 2.96Å; E98-V101 VanDerWaalsContact O-N 3.11Å; E98-D102 WeakPolarHBondContact O-CB 3.28Å; E98-D102 VanDerWaalsContact O-CG 3.31Å; E98-D102 PolarHBondContact O-N 3.23Å
99	R	90.8	Very high	85.5	Confident	144 Å²	144	71.5 Å²	71.5	54%	0.543	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-30.8	177.8	-74.6	170.3	-179.6	164.5	2.1	113.6	E95 D96 L97 R103	E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 WeakPolarHBondContact O-CD 3.46Å; E95-R99 WeakPolarHBondContact O-CG 3.48Å; E95-R99 PolarHBondContact O-N 2.7Å; E95-R99 VanDerWaalsContact O-N 3.1Å; D96-R99 IonicContact OD1-NH1 3.63Å; L97-R99 VanDerWaalsContact C-N 3.33Å; L97-R99 PolarHBondContact O-N 2.96Å; R99-R103 WeakPolarHBondContact O-CB 3.37Å; R99-R103 VanDerWaalsContact O-CG 3.29Å; R99-R103 WeakPolarHBondContact O-CG 3.5Å; R99-R103 PolarHBondContact O-N 3.19Å; R99-R103 PolarHBondContact O-NH1 3.42Å
100	I	87.2	Confident	87.3	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-73.5	-43.9	176.2	-67.5	161.2	0	0	0	110	L3 V76 F92 D96 L97 E98 R103 T104	L3-I100 HydrophobicContact CB-CD1 4.25Å; L3-I100 HydrophobicContact CB-CG2 4.15Å; L3-I100 HydrophobicContact CD1-CG2 4.29Å; L3-I100 HydrophobicContact CD2-CG2 4.4Å; V76-I100 HydrophobicContact CG1-CD1 3.83Å; V76-I100 HydrophobicContact CG2-CG2 3.78Å; F92-I100 HydrophobicContact CD1-CD1 4.07Å; F92-I100 HydrophobicContact CE1-CD1 3.98Å; D96-I100 WeakPolarHBondContact O-CD1 3.47Å; D96-I100 WeakPolarHBondContact O-CG1 3.45Å; D96-I100 PolarHBondContact O-N 3.42Å; D96-I100 VanDerWaalsContact O-N 3.09Å; L97-I100 PolarHBondContact O-N 3.36Å; E98-I100 PolarHBondContact O-N 3.46Å; I100-R103 PolarHBondContact O-N 3.02Å; I100-T104 WeakPolarHBondContact O-CB 3.38Å; I100-T104 PolarHBondContact O-N 3.36Å; I100-T104 PolarHBondContact O-OG1 2.89Å
101	V	89.7	Confident	88.8	Confident	14 Å²	14	72.7 Å²	72.7	9%	0.085	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-51.2	175.9	173.6	0	0	0	0	110.4	G69 I72 I73 L97 E98 R103 T104 L105	G69-V101 WeakPolarHBondContact O-CG2 3.29Å; I72-V101 HydrophobicContact CB-CG2 4.46Å; I72-V101 HydrophobicContact CG2-CG2 4.2Å; I73-V101 HydrophobicContact CD1-CG2 3.92Å; I73-V101 HydrophobicContact CG1-CG2 3.56Å; L97-V101 WeakPolarHBondContact O-CG2 3.3Å; L97-V101 PolarHBondContact O-N 3.21Å; E98-V101 PolarHBondContact O-N 2.96Å; E98-V101 VanDerWaalsContact O-N 3.11Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 3.44Å; V101-T104 WeakPolarHBondContact O-CA 3.38Å; V101-T104 WeakPolarHBondContact O-CB 3.15Å; V101-T104 PolarHBondContact O-N 3.09Å; V101-L105 HydrophobicContact CG1-CD1 3.81Å; V101-L105 HydrophobicContact CG1-CG 4.25Å; V101-L105 PolarHBondContact O-N 3Å
102	D	92.5	Very high	90	Very high	105 Å²	105	70.4 Å²	70.4	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-55.9	-45.1	179.8	-72.2	-15.2	0	0	0	112	E98 T104 A106	E98-D102 WeakPolarHBondContact O-CB 3.28Å; E98-D102 VanDerWaalsContact O-CG 3.31Å; E98-D102 PolarHBondContact O-N 3.23Å; D102-T104 VanDerWaalsContact C-N 3.3Å; D102-T104 PolarHBondContact O-N 3.21Å; D102-A106 WeakPolarHBondContact O-CB 3.35Å; D102-A106 PolarHBondContact O-N 2.94Å
103	R	90.9	Very high	90.8	Very high	109 Å²	109	72.6 Å²	72.6	41%	0.411	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-35.2	176.8	-76.7	-167.6	-58.9	-92.3	-0.7	112.5	R99 I100 V101 S107	R99-R103 WeakPolarHBondContact O-CB 3.37Å; R99-R103 VanDerWaalsContact O-CG 3.29Å; R99-R103 WeakPolarHBondContact O-CG 3.5Å; R99-R103 PolarHBondContact O-N 3.19Å; R99-R103 PolarHBondContact O-NH1 3.42Å; I100-R103 PolarHBondContact O-N 3.02Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 3.44Å; R103-S107 WeakPolarHBondContact O-CB 3.47Å; R103-S107 PolarHBondContact O-N 2.94Å; R103-S107 PolarHBondContact O-OG 2.87Å
104	T	87.7	Confident	91.1	Very high	24 Å²	24	72 Å²	72	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-69.3	-53.9	-179.4	-55.2	0	0	0	0	109.3	I72 I100 V101 D102 A106 S107 Q108 I116	I72-T104 HydrophobicContact CD1-CG2 4.11Å; I72-T104 HydrophobicContact CG2-CG2 4.25Å; I100-T104 WeakPolarHBondContact O-CB 3.38Å; I100-T104 PolarHBondContact O-N 3.36Å; I100-T104 PolarHBondContact O-OG1 2.89Å; V101-T104 WeakPolarHBondContact O-CA 3.38Å; V101-T104 WeakPolarHBondContact O-CB 3.15Å; V101-T104 PolarHBondContact O-N 3.09Å; D102-T104 VanDerWaalsContact C-N 3.3Å; D102-T104 PolarHBondContact O-N 3.21Å; T104-A106 PolarHBondContact O-N 3.33Å; T104-S107 PolarHBondContact O-N 3.34Å; T104-S107 VanDerWaalsContact O-N 3.08Å; T104-S107 PolarHBondContact O-OG 3.36Å; T104-Q108 WeakPolarHBondContact O-CG 3.22Å; T104-Q108 PolarHBondContact O-N 3.33Å; T104-I116 HydrophobicContact CG2-CD1 3.77Å
105	L	91.1	Very high	91.5	Very high	31 Å²	31	70.1 Å²	70.1	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-49.3	177	-67.5	176.5	0	0	0	111.3	I72 V101 S107 Q108 D109 I116	I72-L105 HydrophobicContact CD1-CD2 4.05Å; I72-L105 HydrophobicContact CD1-CG 4.38Å; V101-L105 HydrophobicContact CG1-CD1 3.81Å; V101-L105 HydrophobicContact CG1-CG 4.25Å; V101-L105 PolarHBondContact O-N 3Å; L105-S107 PolarHBondContact O-N 3.23Å; L105-Q108 PolarHBondContact O-N 3.45Å; L105-Q108 VanDerWaalsContact O-N 3.14Å; L105-D109 HydrophobicContact CB-CB 4.29Å; L105-D109 HydrophobicContact CD2-CB 4.04Å; L105-D109 VanDerWaalsContact O-CB 3.31Å; L105-D109 WeakPolarHBondContact O-CB 3.38Å; L105-D109 PolarHBondContact O-N 3.08Å; L105-I116 HydrophobicContact CD2-CD1 4.09Å; L105-I116 HydrophobicContact CD2-CG1 3.93Å
106	A	90.4	Very high	91.5	Very high	85 Å²	85	65 Å²	65	70%	0.702	35%	0.349	S	S	*	.	H	α-helix	trans	-59.6	-17.5	179.5	0	0	0	0	0	114.8	D102 T104	D102-A106 WeakPolarHBondContact O-CB 3.35Å; D102-A106 PolarHBondContact O-N 2.94Å; T104-A106 PolarHBondContact O-N 3.33Å
107	S	87.6	Confident	91.8	Very high	78 Å²	78	64.3 Å²	64.3	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-102.8	-23.9	179.6	69.2	0	0	0	0	114.6	R103 T104 L105	R103-S107 WeakPolarHBondContact O-CB 3.47Å; R103-S107 PolarHBondContact O-N 2.94Å; R103-S107 PolarHBondContact O-OG 2.87Å; T104-S107 PolarHBondContact O-N 3.34Å; T104-S107 VanDerWaalsContact O-N 3.08Å; T104-S107 PolarHBondContact O-OG 3.36Å; L105-S107 PolarHBondContact O-N 3.23Å
108	Q	90.2	Very high	91.9	Very high	36 Å²	36	66.2 Å²	66.2	17%	0.168	35%	0.353	C	S	.	.	H	α-helix	trans	-122.5	-36	-170	-52.7	-164.4	19.9	0	0	113.1	T104 L105 V110 I116 E120	T104-Q108 WeakPolarHBondContact O-CG 3.22Å; T104-Q108 PolarHBondContact O-N 3.33Å; L105-Q108 PolarHBondContact O-N 3.45Å; L105-Q108 VanDerWaalsContact O-N 3.14Å; Q108-V110 PolarHBondContact O-N 3.12Å; Q108-I116 HydrophobicContact CB-CD1 3.73Å; Q108-I116 HydrophobicContact CB-CG1 4.02Å; Q108-I116 HydrophobicContact CB-CG2 4.13Å; Q108-I116 HydrophobicContact CG-CD1 4.36Å; Q108-E120 WeakPolarHBondContact O-CB 3.04Å
109	D	92.5	Very high	91.8	Very high	9 Å²	9	63 Å²	63	5%	0.048	35%	0.346	C	S	.	.			trans	-76	90	174.9	176.9	3.9	0	0	0	108.2	L105 N111 N112 D113 G114 Y115 I116	L105-D109 HydrophobicContact CB-CB 4.29Å; L105-D109 HydrophobicContact CD2-CB 4.04Å; L105-D109 VanDerWaalsContact O-CB 3.31Å; L105-D109 WeakPolarHBondContact O-CB 3.38Å; L105-D109 PolarHBondContact O-N 3.08Å; D109-N111 PolarHBondContact OD1-OD1 3.33Å; D109-N111 VanDerWaalsContact OD1-OD1 3.06Å; D109-N112 WeakPolarHBondContact OD1-CA 3.37Å; D109-N112 PolarHBondContact OD1-N 3.22Å; D109-N112 WeakPolarHBondContact OD2-CA 3.44Å; D109-D113 PolarHBondContact OD1-N 3.21Å; D109-D113 PolarHBondContact OD2-N 3.22Å; D109-G114 WeakPolarHBondContact OD2-CA 3.33Å; D109-G114 PolarHBondContact OD2-N 2.92Å; D109-Y115 WeakPolarHBondContact CB-O 3.48Å; D109-I116 HydrophobicContact CB-CG1 4.3Å
110	V	92	Very high	91.9	Very high	114 Å²	114	56.9 Å²	56.9	69%	0.691	32%	0.324	S	S	*	.	S	Bend	trans	-76.7	-34	-174.1	176.7	0	0	0	0	110	Q108 N112 E120	Q108-V110 PolarHBondContact O-N 3.12Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-ND2 3.32Å; V110-E120 PolarHBondContact N-OE1 3.32Å
111	N	94.5	Very high	91.9	Very high	87 Å²	87	57.5 Å²	57.5	47%	0.465	33%	0.327	S	S	.	.	S	Bend	trans	-84.8	-10.1	-177.6	73.7	34	0	0	0	113	D109 D113 E120	D109-N111 PolarHBondContact OD1-OD1 3.33Å; D109-N111 VanDerWaalsContact OD1-OD1 3.06Å; N111-D113 WeakPolarHBondContact OD1-CB 3.33Å; N111-D113 PolarHBondContact OD1-N 2.79Å; N111-D113 PolarHBondContact OD1-OD1 3.49Å; N111-E120 PolarHBondContact N-OE1 3.46Å; N111-E120 PolarHBondContact ND2-OE1 3.15Å
112	N	94	Very high	91.7	Very high	129 Å²	129	60 Å²	60	69%	0.69	34%	0.339	S	S	*	.			trans	58.3	39.8	-178.6	-62	-92.2	0	0	0	113.6	D109 V110	D109-N112 WeakPolarHBondContact OD1-CA 3.37Å; D109-N112 PolarHBondContact OD1-N 3.22Å; D109-N112 WeakPolarHBondContact OD2-CA 3.44Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-ND2 3.32Å
113	D	96.6	Very high	91.2	Very high	75 Å²	75	60.8 Å²	60.8	40%	0.401	34%	0.343	S	S	.	.	S	Bend	trans	-89.7	-2.8	176.4	78.6	-2.5	0	0	0	113.7	D109 N111 Y115	D109-D113 PolarHBondContact OD1-N 3.21Å; D109-D113 PolarHBondContact OD2-N 3.22Å; N111-D113 WeakPolarHBondContact OD1-CB 3.33Å; N111-D113 PolarHBondContact OD1-N 2.79Å; N111-D113 PolarHBondContact OD1-OD1 3.49Å; D113-Y115 WeakPolarHBondContact O-CD2 3.29Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.12Å; D113-Y115 VanDerWaalsContact OD1-CB 3.28Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.46Å; D113-Y115 PolarHBondContact OD1-N 3.04Å
114	G	95	Very high	90.4	Very high	34 Å²	34	56.8 Å²	56.8	35%	0.351	33%	0.332	S	S	.	.	S	Bend	trans	88	6.6	-179.1	0	0	0	0	0	113.8	D109	D109-G114 WeakPolarHBondContact OD2-CA 3.33Å; D109-G114 PolarHBondContact OD2-N 2.92Å
115	Y	96.4	Very high	88.9	Confident	79 Å²	79	66.4 Å²	66.4	31%	0.31	37%	0.365	S	S	.	.			trans	-126.2	161.6	179.3	-61.4	-87.2	0	0	0	111	R66 L67 D68 D109 D113	R66-Y115 HydrophobicContact CB-CD1 4.09Å; R66-Y115 HydrophobicContact CB-CG 4.36Å; L67-Y115 WeakPolarHBondContact O-CA 3.47Å; D68-Y115 HydrophobicContact CB-CD1 3.98Å; D68-Y115 HydrophobicContact CB-CE1 3.82Å; D109-Y115 WeakPolarHBondContact CB-O 3.48Å; D113-Y115 WeakPolarHBondContact O-CD2 3.29Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.12Å; D113-Y115 VanDerWaalsContact OD1-CB 3.28Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.46Å; D113-Y115 PolarHBondContact OD1-N 3.04Å
116	I	92.9	Very high	86.8	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.1	169.1	-59.9	168	0	0	0	107.6	R66 L67 I72 T104 L105 Q108 D109 E120 F121	R66-I116 CarbonylContact C-O 3.56Å; R66-I116 WeakPolarHBondContact CA-O 3.47Å; L67-I116 HydrophobicContact CB-CB 4.4Å; L67-I116 PolarHBondContact N-O 2.95Å; L67-I116 PolarHBondContact O-N 3.22Å; I72-I116 HydrophobicContact CD1-CD1 3.84Å; T104-I116 HydrophobicContact CG2-CD1 3.77Å; L105-I116 HydrophobicContact CD2-CD1 4.09Å; L105-I116 HydrophobicContact CD2-CG1 3.93Å; Q108-I116 HydrophobicContact CB-CD1 3.73Å; Q108-I116 HydrophobicContact CB-CG1 4.02Å; Q108-I116 HydrophobicContact CB-CG2 4.13Å; Q108-I116 HydrophobicContact CG-CD1 4.36Å; D109-I116 HydrophobicContact CB-CG1 4.3Å; I116-E120 HydrophobicContact CG2-CB 3.99Å; I116-F121 HydrophobicContact CG2-CB 4.01Å
117	D	94.4	Very high	86.7	Confident	51 Å²	51	70.9 Å²	70.9	27%	0.273	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	170.9	172.5	77.2	42.4	0	0	0	112.1	R66 A119 E120 F121	R66-D117 HydrophobicContact CG-CB 4.28Å; D117-A119 VanDerWaalsContact C-N 3.3Å; D117-A119 PolarHBondContact O-N 2.96Å; D117-A119 VanDerWaalsContact OD1-CA 3.28Å; D117-A119 WeakPolarHBondContact OD1-CA 3.32Å; D117-A119 VanDerWaalsContact OD1-CB 3.26Å; D117-A119 WeakPolarHBondContact OD1-CB 3.31Å; D117-A119 PolarHBondContact OD1-N 2.99Å; D117-E120 PolarHBondContact N-OE2 3.39Å; D117-E120 PolarHBondContact O-N 3.22Å; D117-E120 PolarHBondContact OD1-N 3.4Å; D117-F121 WeakPolarHBondContact O-CB 3.45Å; D117-F121 PolarHBondContact O-N 3.18Å
118	F	90.8	Very high	86.6	Confident	61 Å²	61	70.5 Å²	70.5	27%	0.268	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-33.7	-178.5	-175.9	-112.1	0	0	0	113.1	F53 F56 F121 I122	F53-F118 HydrophobicContact CB-CE2 4.03Å; F53-F118 HydrophobicContact CB-CZ 3.88Å; F53-F118 HydrophobicContact CD2-CD2 4.27Å; F53-F118 HydrophobicContact CD2-CE1 4.25Å; F53-F118 HydrophobicContact CD2-CE2 4Å; F53-F118 AromaticContact CD2-CZ 3.98Å; F53-F118 HydrophobicContact CD2-CZ 3.98Å; F53-F118 HydrophobicContact CG-CZ 4.45Å; F56-F118 HydrophobicContact CB-CD2 3.91Å; F56-F118 HydrophobicContact CB-CE2 4.2Å; F56-F118 HydrophobicContact CD1-CB 4.36Å; F56-F118 HydrophobicContact CD1-CD2 4.01Å; F56-F118 HydrophobicContact CD2-CD2 4.05Å; F56-F118 HydrophobicContact CE1-CB 4.11Å; F56-F118 HydrophobicContact CE2-CB 4.37Å; F56-F118 AromaticContact CG-CD2 3.72Å; F56-F118 HydrophobicContact CG-CD2 3.72Å; F56-F118 HydrophobicContact CG-CE2 4.49Å; F56-F118 HydrophobicContact CZ-CB 4.11Å; F118-F121 HydrophobicContact CD2-CD1 4.23Å; F118-F121 HydrophobicContact CE2-CD1 4.21Å; F118-F121 PolarHBondContact O-N 3.34Å; F118-I122 HydrophobicContact CD1-CG2 4.41Å; F118-I122 HydrophobicContact CD2-CG2 4.22Å; F118-I122 HydrophobicContact CE1-CD1 4.3Å; F118-I122 HydrophobicContact CE1-CG2 3.91Å; F118-I122 HydrophobicContact CE2-CG2 3.67Å; F118-I122 HydrophobicContact CZ-CG2 3.51Å; F118-I122 WeakPolarHBondContact O-CG1 3.47Å; F118-I122 WeakPolarHBondContact O-CG2 3.32Å; F118-I122 PolarHBondContact O-N 3.4Å
119	A	91.9	Very high	86.4	Confident	49 Å²	49	72.4 Å²	72.4	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-69.5	-39.9	177.9	0	0	0	0	0	110.9	D117 I122 N123	D117-A119 VanDerWaalsContact C-N 3.3Å; D117-A119 PolarHBondContact O-N 2.96Å; D117-A119 VanDerWaalsContact OD1-CA 3.28Å; D117-A119 WeakPolarHBondContact OD1-CA 3.32Å; D117-A119 VanDerWaalsContact OD1-CB 3.26Å; D117-A119 WeakPolarHBondContact OD1-CB 3.31Å; D117-A119 PolarHBondContact OD1-N 2.99Å; A119-I122 VanDerWaalsContact O-CG1 3.3Å; A119-I122 WeakPolarHBondContact O-CG1 3.34Å; A119-N123 WeakPolarHBondContact O-CB 3.46Å; A119-N123 PolarHBondContact O-N 3.26Å; A119-N123 PolarHBondContact O-ND2 3.26Å
120	E	90.9	Very high	86.1	Confident	17 Å²	17	76.1 Å²	76.1	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-45.9	171.7	-74.9	178	141	0	0	111.5	Q108 V110 N111 I116 D117 I122 N123 S124	Q108-E120 WeakPolarHBondContact O-CB 3.04Å; V110-E120 PolarHBondContact N-OE1 3.32Å; N111-E120 PolarHBondContact N-OE1 3.46Å; N111-E120 PolarHBondContact ND2-OE1 3.15Å; I116-E120 HydrophobicContact CG2-CB 3.99Å; D117-E120 PolarHBondContact N-OE2 3.39Å; D117-E120 PolarHBondContact O-N 3.22Å; D117-E120 PolarHBondContact OD1-N 3.4Å; E120-I122 PolarHBondContact O-N 2.83Å; E120-N123 PolarHBondContact O-N 2.84Å; E120-S124 WeakPolarHBondContact O-CB 3.34Å; E120-S124 PolarHBondContact O-N 3.12Å
121	F	87.8	Confident	85.7	Confident	19 Å²	19	73.8 Å²	73.8	8%	0.083	39%	0.391	C	S	.	.	H	α-helix	trans	-57.4	-46.9	177.2	177.4	-104	0	0	0	112.4	K52 Y55 F56 I116 D117 F118 S124	K52-F121 HydrophobicContact CB-CE1 4.27Å; Y55-F121 HydrophobicContact CD1-CE2 4.31Å; Y55-F121 AromaticContact CD1-CZ 3.72Å; Y55-F121 HydrophobicContact CD1-CZ 3.72Å; Y55-F121 HydrophobicContact CE1-CE2 4.38Å; Y55-F121 HydrophobicContact CE1-CZ 4.15Å; F56-F121 HydrophobicContact CB-CD1 4.29Å; F56-F121 HydrophobicContact CB-CE1 4.33Å; F56-F121 HydrophobicContact CD2-CB 3.84Å; F56-F121 AromaticContact CD2-CD1 3.99Å; F56-F121 HydrophobicContact CD2-CD1 3.99Å; F56-F121 HydrophobicContact CD2-CD2 4.27Å; F56-F121 AromaticContact CD2-CG 3.76Å; F56-F121 HydrophobicContact CD2-CG 3.76Å; F56-F121 HydrophobicContact CE2-CB 4.01Å; F56-F121 HydrophobicContact CE2-CG 4.4Å; I116-F121 HydrophobicContact CG2-CB 4.01Å; D117-F121 WeakPolarHBondContact O-CB 3.45Å; D117-F121 PolarHBondContact O-N 3.18Å; F118-F121 HydrophobicContact CD2-CD1 4.23Å; F118-F121 HydrophobicContact CE2-CD1 4.21Å; F118-F121 PolarHBondContact O-N 3.34Å; F121-S124 PolarHBondContact O-OG 2.99Å
122	I	86	Confident	85.1	Confident	67 Å²	67	72.9 Å²	72.9	34%	0.344	39%	0.386	S	S	.	.	H	α-helix	trans	-75.7	-29.4	-179.4	65.6	-178.2	0	0	0	113.6	K52 F118 A119 E120 S124	K52-I122 HydrophobicContact CD-CG2 4.5Å; F118-I122 HydrophobicContact CD1-CG2 4.41Å; F118-I122 HydrophobicContact CD2-CG2 4.22Å; F118-I122 HydrophobicContact CE1-CD1 4.3Å; F118-I122 HydrophobicContact CE1-CG2 3.91Å; F118-I122 HydrophobicContact CE2-CG2 3.67Å; F118-I122 HydrophobicContact CZ-CG2 3.51Å; F118-I122 WeakPolarHBondContact O-CG1 3.47Å; F118-I122 WeakPolarHBondContact O-CG2 3.32Å; F118-I122 PolarHBondContact O-N 3.4Å; A119-I122 VanDerWaalsContact O-CG1 3.3Å; A119-I122 WeakPolarHBondContact O-CG1 3.34Å; E120-I122 PolarHBondContact O-N 2.83Å; I122-S124 VanDerWaalsContact C-N 3.35Å
123	N	82.3	Confident	84.5	Confident	121 Å²	121	68.9 Å²	68.9	65%	0.647	36%	0.364	S	S	*	.	H	α-helix	trans	-85	-13.5	178.7	-71.8	-42.8	0	0	0	112.4	A119 E120 R125	A119-N123 WeakPolarHBondContact O-CB 3.46Å; A119-N123 PolarHBondContact O-N 3.26Å; A119-N123 PolarHBondContact O-ND2 3.26Å; E120-N123 PolarHBondContact O-N 2.84Å; N123-R125 PolarHBondContact O-N 2.9Å
124	S	73.2	Confident	83.5	Confident	25 Å²	25	68.4 Å²	68.4	18%	0.175	36%	0.361	C	S	.	.	S	Bend	trans	-56	123.2	170.4	73.6	0	0	0	0	109.2	E120 F121 I122	E120-S124 WeakPolarHBondContact O-CB 3.34Å; E120-S124 PolarHBondContact O-N 3.12Å; F121-S124 PolarHBondContact O-OG 2.99Å; I122-S124 VanDerWaalsContact C-N 3.35Å
125	R	56.8	Low	82.6	Confident	226 Å²	226	71.3 Å²	71.3	85%	0.853	36%	0.362	S	S	*	.			trans	-72.7	137	173.1	-77.7	-177.1	164	77.6	0.1	108	N123	N123-R125 PolarHBondContact O-N 2.9Å
126	P	47.8	Very low	81.3	Confident	138 Å²	138	70.5 Å²	70.5	90%	0.896	37%	0.367	S	S	*	.			trans	-60.8	0	168.6	25.9	-31.9	0	0	0	111.9

Retrieved 126 of 126 residues in 393.3 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).