A0A087XA92_POEFO Loading...

Cytosolic iron-sulfur assembly component 2B

Component of the cytosolic iron-sulfur protein assembly (CIA) complex, a multiprotein complex that mediates the incorporation of iron-sulfur cluster into extramitochondrial Fe/S proteins. As a CIA complex component and in collaboration with CIAO1 and MMS19, binds to and facilitates the assembly of most cytosolic-nuclear Fe/S proteins. As part of the mitotic spindle-associated MMXD complex it plays a role in chromosome segregation, probably by facilitating iron-sulfur cluster assembly into ERCC2/XPD. Together with MMS19, facilitates the transfer of Fe-S clusters to the motor protein KIF4A, which ensures proper localization of KIF4A to mitotic machinery components to promote the progression of mitosis.

AlphaFold DB , UniProt , Accession A0A087XA92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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	34.6	Very low	38.2	Very low	242 Å²	242	139.6 Å²	139.6	100%	1.192	83%	0.831	S	S	*	*				0	87	0	-64.4	-64.7	-161.8	0	0	106.8
2	S	37.7	Very low	37.9	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	82%	0.819	S	S	*	*			trans	-112.4	101.8	-175.8	-47.9	0	0	0	0	107	G4	S2-G4 PolarHBondContact O-N 3.09Å; S2-G4 VanDerWaalsContact O-N 3.09Å
3	G	34	Very low	38	Very low	79 Å²	79	134.7 Å²	134.7	81%	0.814	81%	0.807	S	S	*	*			trans	-68.3	101.8	178	0	0	0	0	0	109.5	V5	G3-V5 PolarHBondContact O-N 3.15Å
4	G	35.2	Very low	37.8	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	81%	0.808	S	S	*	*			trans	-65.8	120.7	170	0	0	0	0	0	109.1	S2 Q6	S2-G4 PolarHBondContact O-N 3.09Å; S2-G4 VanDerWaalsContact O-N 3.09Å; G4-Q6 PolarHBondContact O-N 3.04Å; G4-Q6 VanDerWaalsContact O-N 3.09Å
5	V	39.8	Very low	38	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	80%	0.795	S	S	*	*			trans	-62.8	110.4	167.3	179.7	0	0	0	0	106.3	G3 L7	G3-V5 PolarHBondContact O-N 3.15Å; V5-L7 PolarHBondContact O-N 3.09Å
6	Q	37.6	Very low	37.6	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	80%	0.801	S	S	*	*			trans	-71.5	98.8	179.7	-148.1	169.2	-11.4	0	0	106.8	G4 E8	G4-Q6 PolarHBondContact O-N 3.04Å; G4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-E8 PolarHBondContact O-N 3.15Å; Q6-E8 VanDerWaalsContact O-N 3.15Å
7	L	42.1	Very low	37.8	Very low	145 Å²	145	143.3 Å²	143.3	76%	0.759	80%	0.797	S	S	*	*			trans	-67.2	109.5	173.5	-67.6	164.7	0	0	0	107.4	V5 N9	V5-L7 PolarHBondContact O-N 3.09Å; L7-N9 PolarHBondContact O-N 3.35Å; L7-N9 VanDerWaalsContact O-N 3.15Å
8	E	42.7	Very low	38.1	Very low	196 Å²	196	141 Å²	141	92%	0.916	79%	0.792	S	S	*	*	S	Bend	trans	-67.9	-9	-172.7	-75.8	-174.8	137	0	0	114.2	Q6	Q6-E8 PolarHBondContact O-N 3.15Å; Q6-E8 VanDerWaalsContact O-N 3.15Å
9	N	42.2	Very low	38.2	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	79%	0.786	S	S	*	*			trans	-135.2	81.4	-176.7	-139.2	-10.9	0	0	0	111.7	L7 N11	L7-N9 PolarHBondContact O-N 3.35Å; L7-N9 VanDerWaalsContact O-N 3.15Å; N9-N11 PolarHBondContact O-N 3.47Å
10	A	37.7	Very low	38.5	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	79%	0.792	S	S	*	*			trans	-86.8	8.6	-173.1	0	0	0	0	0	114.9
11	N	36.9	Very low	39.1	Very low	143 Å²	143	138 Å²	138	77%	0.765	78%	0.777	S	S	*	*			trans	-160.4	95.6	174.6	-108.5	-20.1	0	0	0	112	N9	N9-N11 PolarHBondContact O-N 3.47Å
12	P	34.3	Very low	39.7	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	76%	0.761	S	S	*	*			trans	-78.2	128.5	173.3	30	-29.4	0	0	0	110	I14	P12-I14 PolarHBondContact O-N 3.32Å
13	V	39.3	Very low	40.5	Very low	108 Å²	108	134 Å²	134	66%	0.655	75%	0.747	S	S	*	*			trans	-77.8	114.9	171.3	-177.2	0	0	0	0	107.5	F15	V13-F15 HydrophobicContact CB-CD2 4.31Å; V13-F15 HydrophobicContact CB-CE2 3.72Å; V13-F15 HydrophobicContact CB-CZ 4.27Å; V13-F15 HydrophobicContact CG1-CD2 3.98Å; V13-F15 HydrophobicContact CG1-CE1 4.18Å; V13-F15 HydrophobicContact CG1-CE2 3.35Å; V13-F15 HydrophobicContact CG1-CZ 3.47Å; V13-F15 VanDerWaalsContact CG1-CZ 3.47Å; V13-F15 WeakPolarHBondContact O-CD2 3.47Å; V13-F15 PolarHBondContact O-N 3.4Å
14	I	35.2	Very low	41.6	Very low	162 Å²	162	133.4 Å²	133.4	83%	0.831	73%	0.727	S	S	*	*			trans	-76.5	109.6	179.2	-58.9	167.3	0	0	0	108.1	P12	P12-I14 PolarHBondContact O-N 3.32Å
15	F	40	Very low	42.7	Very low	138 Å²	138	134 Å²	134	61%	0.605	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-95.5	135.1	171.3	-71.7	-79.2	0	0	0	110.8	V13	V13-F15 HydrophobicContact CB-CD2 4.31Å; V13-F15 HydrophobicContact CB-CE2 3.72Å; V13-F15 HydrophobicContact CB-CZ 4.27Å; V13-F15 HydrophobicContact CG1-CD2 3.98Å; V13-F15 HydrophobicContact CG1-CE1 4.18Å; V13-F15 HydrophobicContact CG1-CE2 3.35Å; V13-F15 HydrophobicContact CG1-CZ 3.47Å; V13-F15 VanDerWaalsContact CG1-CZ 3.47Å; V13-F15 WeakPolarHBondContact O-CD2 3.47Å; V13-F15 PolarHBondContact O-N 3.4Å
16	Q	31.5	Very low	43.5	Very low	190 Å²	190	131.2 Å²	131.2	89%	0.888	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.7	137.6	-177.6	-85.3	178.5	-30.3	0	0	110.9	S18	Q16-S18 PolarHBondContact O-N 3.18Å; Q16-S18 VanDerWaalsContact O-N 3.17Å
17	R	41.8	Very low	44.3	Very low	195 Å²	195	125.4 Å²	125.4	74%	0.736	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-46.9	123.2	163.9	-76.2	-177.1	178.7	177.9	-0.9	108.5	G19	R17-G19 PolarHBondContact O-N 3.19Å
18	S	42.8	Very low	45.1	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-50.5	118.4	165.3	-58.7	0	0	0	0	107.4	Q16	Q16-S18 PolarHBondContact O-N 3.18Å; Q16-S18 VanDerWaalsContact O-N 3.17Å
19	G	39.8	Very low	46	Very low	66 Å²	66	119.8 Å²	119.8	68%	0.68	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62.9	166.6	-176.1	0	0	0	0	0	112.3	R17 R21	R17-G19 PolarHBondContact O-N 3.19Å; G19-R21 PolarHBondContact O-N 3.11Å
20	D	45.8	Very low	46.9	Very low	167 Å²	167	122.5 Å²	122.5	89%	0.893	67%	0.665	S	S	*	*	S	Bend	trans	-45.4	132	176	-78.8	-41.8	0	0	0	111.6	M22	D20-M22 PolarHBondContact O-N 2.78Å; D20-M22 VanDerWaalsContact O-N 3.14Å
21	R	51	Low	48.2	Very low	128 Å²	128	126 Å²	126	48%	0.483	67%	0.671	S	S	.	*			trans	-48.5	117.3	177.3	177.3	178.4	173.6	174	-2.1	109.5	G19 L23 E27 D34	G19-R21 PolarHBondContact O-N 3.11Å; R21-L23 HydrophobicContact CG-CD2 4.36Å; R21-L23 PolarHBondContact O-N 3.47Å; R21-E27 IonicContact CZ-OE2 3.32Å; R21-E27 IonicContact NE-OE2 3.11Å; R21-E27 PolarHBondContact NE-OE2 3.47Å; R21-E27 VanDerWaalsContact NE-OE2 3.11Å; R21-E27 VanDerWaalsContact NH2-CD 3.34Å; R21-E27 IonicContact NH2-OE2 2.71Å; R21-E27 PolarHBondContact NH2-OE2 3.48Å; R21-D34 IonicContact NH2-OD2 3.9Å
22	M	45.9	Very low	49.5	Very low	176 Å²	176	122.9 Å²	122.9	87%	0.867	66%	0.657	S	S	*	*			trans	-75.7	101.2	162.6	-77.7	-167.6	127.5	0	0	107.4	D20 T24	D20-M22 PolarHBondContact O-N 2.78Å; D20-M22 VanDerWaalsContact O-N 3.14Å; M22-T24 PolarHBondContact O-N 2.94Å
23	L	54.4	Low	50.9	Low	104 Å²	104	124.3 Å²	124.3	55%	0.545	65%	0.654	S	S	.	*			trans	-56.5	123.9	169.4	-65.2	167.1	0	0	0	108.3	R21	R21-L23 HydrophobicContact CG-CD2 4.36Å; R21-L23 PolarHBondContact O-N 3.47Å
24	T	58.6	Low	52.2	Low	65 Å²	65	123 Å²	123	40%	0.399	64%	0.643	S	S	.	*			trans	-77.5	147.6	172.1	63.6	0	0	0	0	109.4	M22 S26 E27	M22-T24 PolarHBondContact O-N 2.94Å; T24-S26 PolarHBondContact O-N 3.35Å; T24-S26 PolarHBondContact OG1-OG 2.61Å; T24-E27 WeakPolarHBondContact CB-OE1 3.22Å; T24-E27 WeakPolarHBondContact CG2-OE1 3.31Å; T24-E27 PolarHBondContact N-OE1 3.36Å; T24-E27 PolarHBondContact N-OE2 3.3Å; T24-E27 WeakPolarHBondContact O-CB 3.41Å; T24-E27 PolarHBondContact O-N 3.43Å; T24-E27 VanDerWaalsContact OG1-CG 3.31Å; T24-E27 WeakPolarHBondContact OG1-CG 3.18Å; T24-E27 PolarHBondContact OG1-OE1 3.26Å
25	A	57.9	Low	53.8	Low	84 Å²	84	118.1 Å²	118.1	69%	0.694	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-17.1	-179.9	0	0	0	0	0	113.6
26	S	56.3	Low	55.2	Low	71 Å²	71	112.6 Å²	112.6	50%	0.497	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-23.6	172.6	38.7	0	0	0	0	114.1	T24 E28	T24-S26 PolarHBondContact O-N 3.35Å; T24-S26 PolarHBondContact OG1-OG 2.61Å; S26-E28 VanDerWaalsContact C-N 3.31Å
27	E	53.9	Low	57.1	Low	59 Å²	59	106.9 Å²	106.9	28%	0.276	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-18.4	174.3	-69.9	158.4	-137.7	0	0	111.8	R21 T24 D29	R21-E27 IonicContact CZ-OE2 3.32Å; R21-E27 IonicContact NE-OE2 3.11Å; R21-E27 PolarHBondContact NE-OE2 3.47Å; R21-E27 VanDerWaalsContact NE-OE2 3.11Å; R21-E27 VanDerWaalsContact NH2-CD 3.34Å; R21-E27 IonicContact NH2-OE2 2.71Å; R21-E27 PolarHBondContact NH2-OE2 3.48Å; T24-E27 WeakPolarHBondContact CB-OE1 3.22Å; T24-E27 WeakPolarHBondContact CG2-OE1 3.31Å; T24-E27 PolarHBondContact N-OE1 3.36Å; T24-E27 PolarHBondContact N-OE2 3.3Å; T24-E27 WeakPolarHBondContact O-CB 3.41Å; T24-E27 PolarHBondContact O-N 3.43Å; T24-E27 VanDerWaalsContact OG1-CG 3.31Å; T24-E27 WeakPolarHBondContact OG1-CG 3.18Å; T24-E27 PolarHBondContact OG1-OE1 3.26Å; E27-D29 VanDerWaalsContact C-N 3.35Å
28	E	58.7	Low	58.4	Low	144 Å²	144	101.7 Å²	101.7	67%	0.673	56%	0.562	S	S	*	*	S	Bend	trans	-86.4	-7.4	173.7	-63	-171.5	148.1	0	0	112.9	S26 E30	S26-E28 VanDerWaalsContact C-N 3.31Å; E28-E30 PolarHBondContact O-N 3.28Å
29	D	63	Low	59.5	Low	79 Å²	79	105.3 Å²	105.3	42%	0.422	56%	0.56	S	S	.	*			trans	-89.5	100.6	-178	-161.4	-22.3	0	0	0	110	E27 D31 V32	E27-D29 VanDerWaalsContact C-N 3.35Å; D29-D31 PolarHBondContact O-N 3.21Å; D29-D31 PolarHBondContact OD1-N 2.85Å; D29-V32 HydrophobicContact CB-CB 4.43Å; D29-V32 HydrophobicContact CB-CG2 3.97Å; D29-V32 PolarHBondContact O-N 3.19Å
30	E	60.1	Low	60.9	Low	197 Å²	197	105 Å²	105	92%	0.921	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.2	-179.3	-67.6	-175.1	170.9	0	0	113.5	E28	E28-E30 PolarHBondContact O-N 3.28Å
31	D	65	Low	62.1	Low	160 Å²	160	97 Å²	97	86%	0.856	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.2	177.5	-81.1	-51.2	0	0	0	113.4	D29	D29-D31 PolarHBondContact O-N 3.21Å; D29-D31 PolarHBondContact OD1-N 2.85Å
32	V	65.3	Low	62.9	Low	78 Å²	78	93.8 Å²	93.8	47%	0.473	49%	0.488	S	S	.	.	S	Bend	trans	-103.6	126.7	178.4	-176.4	0	0	0	0	110.1	D29 D34	D29-V32 HydrophobicContact CB-CB 4.43Å; D29-V32 HydrophobicContact CB-CG2 3.97Å; D29-V32 PolarHBondContact O-N 3.19Å; V32-D34 PolarHBondContact O-N 3.04Å; V32-D34 VanDerWaalsContact O-N 3.14Å
33	H	63.5	Low	63.8	Low	137 Å²	137	88.5 Å²	88.5	63%	0.634	46%	0.463	S	S	*	.			trans	-71.4	109.3	172.6	-175	53.1	0	0	0	109.8	P35	H33-P35 VanDerWaalsContact O-CD 3.29Å; H33-P35 WeakPolarHBondContact O-CD 3.41Å
34	D	65.1	Low	64.4	Low	80 Å²	80	85 Å²	85	43%	0.428	44%	0.444	S	S	.	.			trans	-82.2	109.8	171.7	-165.9	17.5	0	0	0	109.8	R21 V32	R21-D34 IonicContact NH2-OD2 3.9Å; V32-D34 PolarHBondContact O-N 3.04Å; V32-D34 VanDerWaalsContact O-N 3.14Å
35	P	68.9	Low	64.6	Low	61 Å²	61	82.1 Å²	82.1	40%	0.396	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-76.9	142	178	32	-32.9	0	0	0	110.5	H33 D37 D78	H33-P35 VanDerWaalsContact O-CD 3.29Å; H33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-D37 PolarHBondContact O-N 3.26Å; P35-D37 VanDerWaalsContact O-N 3.16Å; P35-D78 HydrophobicContact CB-CB 4.15Å
36	I	70	Confident	64.6	Low	22 Å²	22	81.8 Å²	81.8	11%	0.113	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-63.9	119.8	175.5	-56.4	-172	0	0	0	109	E40 I41 V76 L112 F116	I36-E40 WeakPolarHBondContact CA-OE2 3.38Å; I36-E40 HydrophobicContact CG2-CB 4.35Å; I36-I41 HydrophobicContact CG2-CD1 3.71Å; I36-I41 HydrophobicContact CG2-CG1 3.9Å; I36-V76 HydrophobicContact CG2-CG1 4.41Å; I36-V76 VanDerWaalsContact O-CG1 3.26Å; I36-V76 WeakPolarHBondContact O-CG1 3.13Å; I36-L112 HydrophobicContact CD1-CD2 3.64Å; I36-L112 HydrophobicContact CG2-CD2 4.29Å; I36-F116 HydrophobicContact CB-CZ 4.07Å; I36-F116 HydrophobicContact CD1-CD2 4.31Å; I36-F116 HydrophobicContact CD1-CE2 3.47Å; I36-F116 VanDerWaalsContact CD1-CE2 3.47Å; I36-F116 HydrophobicContact CD1-CZ 3.69Å; I36-F116 HydrophobicContact CG1-CE2 4.25Å; I36-F116 HydrophobicContact CG1-CZ 4.03Å
37	D	71	Confident	64.4	Low	70 Å²	70	83.2 Å²	83.2	37%	0.374	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-100.2	171.1	178.8	77.2	-4.3	0	0	0	112.4	P35 R39 E40 I41	P35-D37 PolarHBondContact O-N 3.26Å; P35-D37 VanDerWaalsContact O-N 3.16Å; D37-R39 PolarHBondContact O-N 3.46Å; D37-R39 WeakPolarHBondContact OD1-CB 3.39Å; D37-R39 PolarHBondContact OD1-N 3.1Å; D37-E40 PolarHBondContact O-N 3.19Å; D37-E40 WeakPolarHBondContact OD1-CB 3.29Å; D37-E40 PolarHBondContact OD1-N 3.16Å; D37-I41 PolarHBondContact O-N 2.74Å
38	D	68.6	Low	64	Low	86 Å²	86	80.7 Å²	80.7	46%	0.46	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-25.3	177.9	52.4	-66.5	0	0	0	113	F42 V76	D38-F42 VanDerWaalsContact O-CB 3.26Å; D38-F42 WeakPolarHBondContact O-CB 2.94Å; D38-F42 PolarHBondContact O-N 3.17Å; D38-V76 HydrophobicContact CB-CG2 4.33Å
39	R	66.1	Low	63.6	Low	177 Å²	177	77.4 Å²	77.4	67%	0.668	39%	0.391	S	S	*	.	H	α-helix	trans	-79.6	-38	-178.8	-60.1	177.8	177.9	-169.8	0.3	111.9	D37 F42 D43	D37-R39 PolarHBondContact O-N 3.46Å; D37-R39 WeakPolarHBondContact OD1-CB 3.39Å; D37-R39 PolarHBondContact OD1-N 3.1Å; R39-F42 CarbonylContact O-C 3.56Å; R39-F42 WeakPolarHBondContact O-CB 3.4Å; R39-F42 PolarHBondContact O-N 3.47Å; R39-D43 WeakPolarHBondContact O-CB 3.49Å; R39-D43 PolarHBondContact O-N 2.73Å
40	E	70	Confident	62.7	Low	60 Å²	60	73.7 Å²	73.7	28%	0.28	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-42.4	173.9	-169.3	-179.9	-173.8	0	0	110.5	I36 D37 D43 I44	I36-E40 WeakPolarHBondContact CA-OE2 3.38Å; I36-E40 HydrophobicContact CG2-CB 4.35Å; D37-E40 PolarHBondContact O-N 3.19Å; D37-E40 WeakPolarHBondContact OD1-CB 3.29Å; D37-E40 PolarHBondContact OD1-N 3.16Å; E40-D43 PolarHBondContact O-N 3.28Å; E40-I44 HydrophobicContact CG-CD1 4.26Å; E40-I44 WeakPolarHBondContact O-CB 3.29Å; E40-I44 WeakPolarHBondContact O-CD1 3.43Å; E40-I44 WeakPolarHBondContact O-CG1 3.45Å; E40-I44 PolarHBondContact O-N 3.06Å
41	I	71.2	Confident	61.9	Low	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-42.4	171.7	-61.6	-55.4	0	0	0	111	I36 D37 D43 I44 L45 V74 V76 V83 L108 L112	I36-I41 HydrophobicContact CG2-CD1 3.71Å; I36-I41 HydrophobicContact CG2-CG1 3.9Å; D37-I41 PolarHBondContact O-N 2.74Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.82Å; I41-I44 HydrophobicContact CD1-CD1 4.29Å; I41-I44 PolarHBondContact O-N 3.17Å; I41-L45 HydrophobicContact CG2-CD1 3.72Å; I41-L45 HydrophobicContact CG2-CG 4.22Å; I41-L45 WeakPolarHBondContact O-CB 3.08Å; I41-L45 WeakPolarHBondContact O-CG 3.23Å; I41-L45 PolarHBondContact O-N 2.63Å; I41-V74 HydrophobicContact CB-CG1 3.71Å; I41-V74 HydrophobicContact CG1-CG1 4.45Å; I41-V74 HydrophobicContact CG2-CB 4.43Å; I41-V74 HydrophobicContact CG2-CG1 3.34Å; I41-V74 HydrophobicContact CG2-CG2 4.22Å; I41-V76 HydrophobicContact CB-CG2 4Å; I41-V76 HydrophobicContact CG1-CG2 3.38Å; I41-V83 HydrophobicContact CD1-CG2 4.46Å; I41-V83 HydrophobicContact CG1-CG1 4.35Å; I41-V83 HydrophobicContact CG2-CG1 4.12Å; I41-L108 HydrophobicContact CD1-CD2 4.45Å; I41-L108 HydrophobicContact CG2-CD2 3.89Å; I41-L112 HydrophobicContact CD1-CD1 3.7Å; I41-L112 HydrophobicContact CD1-CD2 3.31Å; I41-L112 HydrophobicContact CD1-CG 3.96Å
42	F	66.3	Low	60.6	Low	60 Å²	60	61.5 Å²	61.5	26%	0.263	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-43.4	175.8	-174	-97.3	0	0	0	111.1	D38 R39 L45 L46	D38-F42 VanDerWaalsContact O-CB 3.26Å; D38-F42 WeakPolarHBondContact O-CB 2.94Å; D38-F42 PolarHBondContact O-N 3.17Å; R39-F42 CarbonylContact O-C 3.56Å; R39-F42 WeakPolarHBondContact O-CB 3.4Å; R39-F42 PolarHBondContact O-N 3.47Å; F42-L45 CarbonylContact O-C 3.48Å; F42-L45 WeakPolarHBondContact O-CA 3.23Å; F42-L45 PolarHBondContact O-N 3.35Å; F42-L46 HydrophobicContact CD1-CB 4.47Å; F42-L46 HydrophobicContact CE1-CB 4.41Å; F42-L46 HydrophobicContact CE1-CD1 3.82Å; F42-L46 HydrophobicContact CE1-CD2 4.37Å; F42-L46 HydrophobicContact CE1-CG 4.43Å; F42-L46 HydrophobicContact CZ-CD1 4.01Å; F42-L46 WeakPolarHBondContact O-CB 3.49Å; F42-L46 PolarHBondContact O-N 2.85Å
43	D	65.9	Low	59.3	Low	64 Å²	64	59.9 Å²	59.9	34%	0.342	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-42.8	176.2	-79.9	-12.9	0	0	0	111.6	R39 E40 I41 L45 L46 V47	R39-D43 WeakPolarHBondContact O-CB 3.49Å; R39-D43 PolarHBondContact O-N 2.73Å; E40-D43 PolarHBondContact O-N 3.28Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.82Å; D43-L45 PolarHBondContact O-N 3.07Å; D43-L46 PolarHBondContact O-N 3.24Å; D43-L46 VanDerWaalsContact O-N 3.15Å; D43-V47 VanDerWaalsContact O-CB 3.24Å; D43-V47 WeakPolarHBondContact O-CB 3.26Å; D43-V47 WeakPolarHBondContact O-CG2 3.29Å; D43-V47 PolarHBondContact O-N 3.03Å
44	I	66.7	Low	58.3	Low	30 Å²	30	54.7 Å²	54.7	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-38.2	173	-70.8	164.2	0	0	0	110.9	E40 I41 L48 K107 L112	E40-I44 HydrophobicContact CG-CD1 4.26Å; E40-I44 WeakPolarHBondContact O-CB 3.29Å; E40-I44 WeakPolarHBondContact O-CD1 3.43Å; E40-I44 WeakPolarHBondContact O-CG1 3.45Å; E40-I44 PolarHBondContact O-N 3.06Å; I41-I44 HydrophobicContact CD1-CD1 4.29Å; I41-I44 PolarHBondContact O-N 3.17Å; I44-L48 PolarHBondContact O-N 2.88Å; I44-K107 HydrophobicContact CG2-CG 4.02Å; I44-L112 HydrophobicContact CD1-CD2 4.41Å
45	L	63.3	Low	57	Low	6 Å²	6	56.2 Å²	56.2	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-80.3	-25.2	177.6	-66.9	173.3	0	0	0	113.4	I41 F42 D43 L48 V72 V74 V85 I104 L108	I41-L45 HydrophobicContact CG2-CD1 3.72Å; I41-L45 HydrophobicContact CG2-CG 4.22Å; I41-L45 WeakPolarHBondContact O-CB 3.08Å; I41-L45 WeakPolarHBondContact O-CG 3.23Å; I41-L45 PolarHBondContact O-N 2.63Å; F42-L45 CarbonylContact O-C 3.48Å; F42-L45 WeakPolarHBondContact O-CA 3.23Å; F42-L45 PolarHBondContact O-N 3.35Å; D43-L45 PolarHBondContact O-N 3.07Å; L45-L48 HydrophobicContact CD2-CD2 4.39Å; L45-L48 WeakPolarHBondContact O-CB 3.24Å; L45-V72 HydrophobicContact CD1-CG1 4.16Å; L45-V74 HydrophobicContact CD1-CG2 3.69Å; L45-V85 HydrophobicContact CD1-CG1 4.04Å; L45-V85 HydrophobicContact CD1-CG2 4.1Å; L45-I104 HydrophobicContact CD2-CG1 4.48Å; L45-I104 HydrophobicContact CD2-CG2 3.82Å; L45-L108 HydrophobicContact CD2-CD2 4.02Å; L45-L108 HydrophobicContact CD2-CG 4.2Å; L45-L108 HydrophobicContact CG-CD2 4.29Å
46	L	57.5	Low	55.7	Low	77 Å²	77	56.5 Å²	56.5	40%	0.403	28%	0.281	S	S	.	.	H	α-helix	trans	-82.3	-45	178.7	-169.8	85	0	0	0	110.7	F42 D43 L48 H49 V69	F42-L46 HydrophobicContact CD1-CB 4.47Å; F42-L46 HydrophobicContact CE1-CB 4.41Å; F42-L46 HydrophobicContact CE1-CD1 3.82Å; F42-L46 HydrophobicContact CE1-CD2 4.37Å; F42-L46 HydrophobicContact CE1-CG 4.43Å; F42-L46 HydrophobicContact CZ-CD1 4.01Å; F42-L46 WeakPolarHBondContact O-CB 3.49Å; F42-L46 PolarHBondContact O-N 2.85Å; D43-L46 PolarHBondContact O-N 3.24Å; D43-L46 VanDerWaalsContact O-N 3.15Å; L46-L48 PolarHBondContact O-N 2.87Å; L46-L48 VanDerWaalsContact O-N 3.11Å; L46-H49 PolarHBondContact O-N 3.47Å; L46-V69 HydrophobicContact CD1-CG1 4.33Å
47	V	51.3	Low	54.2	Low	100 Å²	100	60.9 Å²	60.9	61%	0.606	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25	169.6	170.9	0	0	0	0	110.7	D43 H49	D43-V47 VanDerWaalsContact O-CB 3.24Å; D43-V47 WeakPolarHBondContact O-CB 3.26Å; D43-V47 WeakPolarHBondContact O-CG2 3.29Å; D43-V47 PolarHBondContact O-N 3.03Å; V47-H49 PolarHBondContact O-N 3.14Å; V47-H49 PolarHBondContact O-ND1 2.76Å
48	L	46.6	Very low	52.6	Low	7 Å²	7	65.5 Å²	65.5	4%	0.037	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-26.1	-177.7	-154.3	61	0	0	0	114.1	I44 L45 L46 L50 I104 K107 L160	I44-L48 PolarHBondContact O-N 2.88Å; L45-L48 HydrophobicContact CD2-CD2 4.39Å; L45-L48 WeakPolarHBondContact O-CB 3.24Å; L46-L48 PolarHBondContact O-N 2.87Å; L46-L48 VanDerWaalsContact O-N 3.11Å; L48-L50 HydrophobicContact CB-CB 4.16Å; L48-L50 HydrophobicContact CD2-CB 3.53Å; L48-L50 HydrophobicContact CD2-CD1 4.48Å; L48-L50 HydrophobicContact CD2-CD2 3.59Å; L48-L50 HydrophobicContact CD2-CG 4.05Å; L48-L50 HydrophobicContact CG-CB 3.58Å; L48-L50 HydrophobicContact CG-CD2 4.48Å; L48-L50 HydrophobicContact CG-CG 4.45Å; L48-L50 PolarHBondContact O-N 3.22Å; L48-I104 HydrophobicContact CD2-CG1 4.42Å; L48-K107 HydrophobicContact CD1-CB 3.6Å; L48-K107 HydrophobicContact CD1-CD 3.36Å; L48-K107 HydrophobicContact CD1-CG 3.24Å; L48-K107 HydrophobicContact CD2-CB 4.48Å; L48-K107 HydrophobicContact CG-CG 4.5Å; L48-L160 HydrophobicContact CD1-CD2 3.32Å; L48-L160 HydrophobicContact CD2-CD2 4.27Å; L48-L160 HydrophobicContact CG-CD2 3.93Å
49	H	49.6	Very low	51.2	Low	75 Å²	75	67.4 Å²	67.4	35%	0.347	34%	0.336	S	S	.	.			trans	50.2	-4.4	-173.2	-76.9	84.5	0	0	0	115.4	L46 V47 I51 R52 S53	L46-H49 PolarHBondContact O-N 3.47Å; V47-H49 PolarHBondContact O-N 3.14Å; V47-H49 PolarHBondContact O-ND1 2.76Å; H49-I51 PolarHBondContact O-N 2.96Å; H49-I51 VanDerWaalsContact O-N 3.09Å; H49-R52 CarbonylContact O-C 3.54Å; H49-R52 WeakPolarHBondContact O-CA 3.45Å; H49-R52 PolarHBondContact O-N 3.21Å; H49-S53 PolarHBondContact O-N 3.4Å; H49-S53 PolarHBondContact O-OG 3.03Å; H49-S53 VanDerWaalsContact O-OG 3.09Å
50	L	44.7	Very low	50	Low	1 Å²	1	64.7 Å²	64.7	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-56.2	-31.5	177.6	-162.7	87	0	0	0	110.3	L48 I54 I104 C159 L160	L48-L50 HydrophobicContact CB-CB 4.16Å; L48-L50 HydrophobicContact CD2-CB 3.53Å; L48-L50 HydrophobicContact CD2-CD1 4.48Å; L48-L50 HydrophobicContact CD2-CD2 3.59Å; L48-L50 HydrophobicContact CD2-CG 4.05Å; L48-L50 HydrophobicContact CG-CB 3.58Å; L48-L50 HydrophobicContact CG-CD2 4.48Å; L48-L50 HydrophobicContact CG-CG 4.45Å; L48-L50 PolarHBondContact O-N 3.22Å; L50-I54 HydrophobicContact CG-CD1 4.32Å; L50-I54 WeakPolarHBondContact O-CD1 3.33Å; L50-I54 WeakPolarHBondContact O-CG1 3.27Å; L50-I54 PolarHBondContact O-N 3.13Å; L50-I104 HydrophobicContact CD2-CG1 4.02Å; L50-C159 HydrophobicContact CD1-CB 3.39Å; L50-C159 WeakPolarHBondContact CD1-O 3.37Å; L50-L160 HydrophobicContact CD1-CD2 3.97Å; L50-L160 HydrophobicContact CD1-CG 4.31Å
51	I	43.9	Very low	48.6	Very low	22 Å²	22	66.8 Å²	66.8	11%	0.113	35%	0.354	C	S	.	.	H	α-helix	trans	-90	-14.7	-179.9	-26.8	175.8	0	0	0	111.9	H49 L63 V68 V69 V72	H49-I51 PolarHBondContact O-N 2.96Å; H49-I51 VanDerWaalsContact O-N 3.09Å; I51-L63 WeakPolarHBondContact O-CB 3.28Å; I51-V68 HydrophobicContact CG2-CB 4.44Å; I51-V68 HydrophobicContact CG2-CG1 4Å; I51-V69 HydrophobicContact CB-CB 4.23Å; I51-V69 HydrophobicContact CB-CG1 4.05Å; I51-V69 HydrophobicContact CB-CG2 3.73Å; I51-V69 HydrophobicContact CD1-CB 4.34Å; I51-V69 HydrophobicContact CD1-CG1 3.74Å; I51-V69 HydrophobicContact CG1-CG1 4.41Å; I51-V69 HydrophobicContact CG2-CB 3.88Å; I51-V69 HydrophobicContact CG2-CG1 4.24Å; I51-V69 HydrophobicContact CG2-CG2 3.35Å; I51-V72 HydrophobicContact CD1-CG2 4.17Å
52	R	37.9	Very low	47.2	Very low	78 Å²	78	69.6 Å²	69.6	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-93.3	-25.4	173.7	-66.9	-178.3	83.7	164.6	6.1	113.1	H49 E64	H49-R52 CarbonylContact O-C 3.54Å; H49-R52 WeakPolarHBondContact O-CA 3.45Å; H49-R52 PolarHBondContact O-N 3.21Å; R52-E64 IonicContact CZ-OE1 3.47Å; R52-E64 IonicContact CZ-OE2 3.14Å; R52-E64 IonicContact NE-OE1 3.28Å; R52-E64 PolarHBondContact NE-OE1 3.37Å; R52-E64 IonicContact NE-OE2 3.47Å; R52-E64 PolarHBondContact NE-OE2 2.83Å; R52-E64 IonicContact NH1-OE1 2.73Å; R52-E64 IonicContact NH2-OE1 3.39Å; R52-E64 PolarHBondContact NH2-OE1 2.9Å; R52-E64 IonicContact NH2-OE2 3.7Å; R52-E64 PolarHBondContact NH2-OE2 3.09Å
53	S	37.7	Very low	46.2	Very low	45 Å²	45	67.8 Å²	67.8	32%	0.315	37%	0.367	S	S	.	.	H	α-helix	trans	-124.6	11.5	-170	68.7	0	0	0	0	116.6	H49 N55	H49-S53 PolarHBondContact O-N 3.4Å; H49-S53 PolarHBondContact O-OG 3.03Å; H49-S53 VanDerWaalsContact O-OG 3.09Å; S53-N55 PolarHBondContact O-N 3.45Å; S53-N55 PolarHBondContact O-ND2 2.81Å
54	I	41.8	Very low	45	Very low	28 Å²	28	69.7 Å²	69.7	14%	0.144	37%	0.374	C	S	.	.			trans	-66.6	91.3	159.2	-69.2	159.2	0	0	0	106.1	L50 D56 L63 I100	L50-I54 HydrophobicContact CG-CD1 4.32Å; L50-I54 WeakPolarHBondContact O-CD1 3.33Å; L50-I54 WeakPolarHBondContact O-CG1 3.27Å; L50-I54 PolarHBondContact O-N 3.13Å; I54-D56 PolarHBondContact O-N 3.26Å; I54-L63 HydrophobicContact CB-CD1 3.45Å; I54-L63 VanDerWaalsContact CB-CD1 3.45Å; I54-L63 HydrophobicContact CG2-CD1 3.97Å; I54-L63 WeakPolarHBondContact O-CD1 3.22Å; I54-L63 WeakPolarHBondContact O-CG 3.43Å; I54-I100 HydrophobicContact CD1-CD1 3.94Å; I54-I100 HydrophobicContact CD1-CG1 3.29Å
55	N	38.3	Very low	43.7	Very low	112 Å²	112	74.8 Å²	74.8	60%	0.599	40%	0.397	S	S	*	.			trans	-63.3	122.4	168.5	-76.3	-73.6	0	0	0	106.6	S53 P57	S53-N55 PolarHBondContact O-N 3.45Å; S53-N55 PolarHBondContact O-ND2 2.81Å; N55-P57 WeakPolarHBondContact O-CD 3.36Å
56	D	41.3	Very low	42.7	Very low	66 Å²	66	78.7 Å²	78.7	35%	0.353	42%	0.417	S	S	.	.			trans	-56.6	124.3	162.3	-166.6	-41.3	0	0	0	107.5	I54 E58 H59	I54-D56 PolarHBondContact O-N 3.26Å; D56-E58 PolarHBondContact O-N 3.35Å; D56-E58 PolarHBondContact OD1-N 3.04Å; D56-H59 PolarHBondContact O-N 3.15Å
57	P	38.2	Very low	42.1	Very low	114 Å²	114	80.5 Å²	80.5	74%	0.74	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.1	175.7	23.2	-30.5	0	0	0	113.5	N55	N55-P57 WeakPolarHBondContact O-CD 3.36Å
58	E	37.3	Very low	41.9	Very low	168 Å²	168	76.4 Å²	76.4	79%	0.785	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-12.4	178.8	-59.7	-160.9	133.4	0	0	115.3	D56	D56-E58 PolarHBondContact O-N 3.35Å; D56-E58 PolarHBondContact OD1-N 3.04Å
59	H	39.4	Very low	41.7	Very low	125 Å²	125	77.5 Å²	77.5	58%	0.579	41%	0.41	S	S	*	.			trans	-144.3	142.8	178.5	-79.3	-52.8	0	0	0	115.9	D56 L61	D56-H59 PolarHBondContact O-N 3.15Å; H59-L61 VanDerWaalsContact C-N 3.26Å; H59-L61 PolarHBondContact O-N 3.32Å; H59-L61 VanDerWaalsContact O-N 3.07Å
60	P	41.3	Very low	41.5	Very low	120 Å²	120	79.3 Å²	79.3	78%	0.779	42%	0.418	S	S	*	.			trans	-86.1	57.7	177.6	37.7	-34.4	0	0	0	111.2
61	L	41.2	Very low	41.8	Very low	104 Å²	104	84.1 Å²	84.1	55%	0.545	44%	0.44	S	S	.	.			trans	-129.7	139.9	179.8	-69.3	167.8	0	0	0	110.7	H59	H59-L61 VanDerWaalsContact C-N 3.26Å; H59-L61 PolarHBondContact O-N 3.32Å; H59-L61 VanDerWaalsContact O-N 3.07Å
62	S	41.8	Very low	42.5	Very low	60 Å²	60	83.8 Å²	83.8	42%	0.42	44%	0.44	S	S	.	.			trans	-80.1	127.4	-178.5	50.2	0	0	0	0	110.8	E64 E65	S62-E64 PolarHBondContact O-N 2.92Å; S62-E65 PolarHBondContact O-N 3.09Å; S62-E65 VanDerWaalsContact O-N 3.11Å
63	L	45.7	Very low	44	Very low	21 Å²	21	87 Å²	87	11%	0.11	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-58.8	2	176.6	-79.7	172.1	0	0	0	115.9	I51 I54 E65 L66 T90	I51-L63 WeakPolarHBondContact O-CB 3.28Å; I54-L63 HydrophobicContact CB-CD1 3.45Å; I54-L63 VanDerWaalsContact CB-CD1 3.45Å; I54-L63 HydrophobicContact CG2-CD1 3.97Å; I54-L63 WeakPolarHBondContact O-CD1 3.22Å; I54-L63 WeakPolarHBondContact O-CG 3.43Å; L63-E65 PolarHBondContact O-N 3.48Å; L63-L66 HydrophobicContact CD2-CB 3.72Å; L63-L66 HydrophobicContact CD2-CD1 3.49Å; L63-L66 VanDerWaalsContact CD2-CD1 3.49Å; L63-L66 HydrophobicContact CD2-CG 4.21Å; L63-L66 PolarHBondContact O-N 2.91Å; L63-T90 HydrophobicContact CD2-CG2 3.91Å
64	E	39.3	Very low	45.8	Very low	105 Å²	105	86 Å²	86	49%	0.491	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-58.4	-19	162.8	-136.3	172.6	173.8	0	0	111.9	R52 S62	R52-E64 IonicContact CZ-OE1 3.47Å; R52-E64 IonicContact CZ-OE2 3.14Å; R52-E64 IonicContact NE-OE1 3.28Å; R52-E64 PolarHBondContact NE-OE1 3.37Å; R52-E64 IonicContact NE-OE2 3.47Å; R52-E64 PolarHBondContact NE-OE2 2.83Å; R52-E64 IonicContact NH1-OE1 2.73Å; R52-E64 IonicContact NH2-OE1 3.39Å; R52-E64 PolarHBondContact NH2-OE1 2.9Å; R52-E64 IonicContact NH2-OE2 3.7Å; R52-E64 PolarHBondContact NH2-OE2 3.09Å; S62-E64 PolarHBondContact O-N 2.92Å
65	E	39	Very low	47.7	Very low	137 Å²	137	90.3 Å²	90.3	64%	0.64	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-90.8	-2.4	178.1	-62.8	178.6	138.5	0	0	114.6	S62 L63	S62-E65 PolarHBondContact O-N 3.09Å; S62-E65 VanDerWaalsContact O-N 3.11Å; L63-E65 PolarHBondContact O-N 3.48Å
66	L	43.5	Very low	49.6	Very low	88 Å²	88	86.6 Å²	86.6	46%	0.461	44%	0.443	S	S	.	.	S	Bend	trans	-115.7	13.4	-166.6	-98.8	158.5	0	0	0	116.1	L63 V68 T90	L63-L66 HydrophobicContact CD2-CB 3.72Å; L63-L66 HydrophobicContact CD2-CD1 3.49Å; L63-L66 VanDerWaalsContact CD2-CD1 3.49Å; L63-L66 HydrophobicContact CD2-CG 4.21Å; L63-L66 PolarHBondContact O-N 2.91Å; L66-V68 PolarHBondContact O-N 2.79Å; L66-T90 HydrophobicContact CB-CG2 3.86Å; L66-T90 HydrophobicContact CD1-CG2 4.15Å; L66-T90 HydrophobicContact CD2-CG2 3.83Å; L66-T90 HydrophobicContact CG-CG2 4.14Å
67	N	44.8	Very low	51.5	Low	114 Å²	114	85.8 Å²	85.8	61%	0.61	44%	0.438	S	S	*	.	S	Bend	trans	53.4	7.2	170	-105.4	23	0	0	0	117.7	V69	N67-V69 VanDerWaalsContact C-N 3.29Å; N67-V69 PolarHBondContact O-N 3.45Å
68	V	46.8	Very low	53.4	Low	15 Å²	15	81.9 Å²	81.9	9%	0.091	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.5	179	163.1	0	0	0	0	112.6	I51 L66 T88 T90	I51-V68 HydrophobicContact CG2-CB 4.44Å; I51-V68 HydrophobicContact CG2-CG1 4Å; L66-V68 PolarHBondContact O-N 2.79Å; V68-T88 VanDerWaalsContact CG1-O 3.23Å; V68-T88 WeakPolarHBondContact CG1-O 3.16Å; V68-T88 VanDerWaalsContact CG2-O 3.22Å; V68-T88 WeakPolarHBondContact CG2-O 3.44Å; V68-T90 HydrophobicContact CB-CG2 4.17Å; V68-T90 HydrophobicContact CG2-CG2 3.26Å
69	V	43.4	Very low	55.4	Low	30 Å²	30	79.8 Å²	79.8	18%	0.182	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-40.7	177.7	-160.6	0	0	0	0	111.6	L46 I51 N67	L46-V69 HydrophobicContact CD1-CG1 4.33Å; I51-V69 HydrophobicContact CB-CB 4.23Å; I51-V69 HydrophobicContact CB-CG1 4.05Å; I51-V69 HydrophobicContact CB-CG2 3.73Å; I51-V69 HydrophobicContact CD1-CB 4.34Å; I51-V69 HydrophobicContact CD1-CG1 3.74Å; I51-V69 HydrophobicContact CG1-CG1 4.41Å; I51-V69 HydrophobicContact CG2-CB 3.88Å; I51-V69 HydrophobicContact CG2-CG1 4.24Å; I51-V69 HydrophobicContact CG2-CG2 3.35Å; N67-V69 VanDerWaalsContact C-N 3.29Å; N67-V69 PolarHBondContact O-N 3.45Å
70	E	45.3	Very low	57.5	Low	112 Å²	112	80.1 Å²	80.1	52%	0.523	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-17.8	-173.3	-97.5	-175.1	171	0	0	113.6
71	Q	50.1	Low	59.6	Low	102 Å²	102	75.4 Å²	75.4	48%	0.477	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	14.9	-178.2	-143.4	168.1	5	0	0	113.1	R73	Q71-R73 PolarHBondContact O-N 2.8Å
72	V	59.5	Low	61.7	Low	16 Å²	16	72.6 Å²	72.6	10%	0.097	37%	0.369	C	S	.	.			trans	-73.3	109.8	170.4	-177.4	0	0	0	0	108.4	L45 I51 V74 V85 E86 F87	L45-V72 HydrophobicContact CD1-CG1 4.16Å; I51-V72 HydrophobicContact CD1-CG2 4.17Å; V72-V74 HydrophobicContact CG1-CG2 3.94Å; V72-V85 HydrophobicContact CG1-CG1 3.55Å; V72-E86 CarbonylContact C-O 3.5Å; V72-E86 VanDerWaalsContact CA-O 3.23Å; V72-E86 WeakPolarHBondContact CA-O 3.3Å; V72-F87 HydrophobicContact CG2-CB 4.47Å
73	R	69	Low	63.8	Low	145 Å²	145	69.8 Å²	69.8	55%	0.547	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.6	179.7	-41.1	173.9	82.6	-173.9	11.8	107.8	Q71 E86	Q71-R73 PolarHBondContact O-N 2.8Å; R73-E86 HydrophobicContact CB-CB 4.01Å; R73-E86 WeakPolarHBondContact CD-OE2 3.26Å; R73-E86 HydrophobicContact CG-CB 4.37Å; R73-E86 PolarHBondContact N-O 3.14Å; R73-E86 IonicContact NH1-OE2 3.54Å; R73-E86 PolarHBondContact O-N 3.18Å
74	V	76	Confident	65.7	Low	24 Å²	24	70 Å²	70	15%	0.145	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.2	177.8	-174.8	0	0	0	0	109.1	I41 L45 V72 V76 S84 V85	I41-V74 HydrophobicContact CB-CG1 3.71Å; I41-V74 HydrophobicContact CG1-CG1 4.45Å; I41-V74 HydrophobicContact CG2-CB 4.43Å; I41-V74 HydrophobicContact CG2-CG1 3.34Å; I41-V74 HydrophobicContact CG2-CG2 4.22Å; L45-V74 HydrophobicContact CD1-CG2 3.69Å; V72-V74 HydrophobicContact CG1-CG2 3.94Å; V74-V76 HydrophobicContact CG1-CG2 3.77Å; V74-S84 CarbonylContact C-O 3.41Å; V74-S84 WeakPolarHBondContact CA-O 3.45Å; V74-V85 HydrophobicContact CG1-CG2 4.45Å; V74-V85 HydrophobicContact CG2-CG2 4.48Å
75	K	80.1	Confident	67.8	Low	118 Å²	118	65 Å²	65	51%	0.513	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.8	169.5	-68.4	173	-175.2	153.3	0	108.1	V83 S84 E86	K75-V83 WeakPolarHBondContact O-CA 3.12Å; K75-S84 PolarHBondContact N-O 3.37Å; K75-S84 PolarHBondContact O-N 2.96Å; K75-E86 IonicContact NZ-OE1 3.16Å; K75-E86 PolarHBondContact NZ-OE1 2.87Å; K75-E86 VanDerWaalsContact NZ-OE1 3.14Å
76	V	78.9	Confident	69.9	Low	34 Å²	34	59.4 Å²	59.4	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.2	178.2	-175	0	0	0	0	108.7	I36 D38 I41 V74 V83	I36-V76 HydrophobicContact CG2-CG1 4.41Å; I36-V76 VanDerWaalsContact O-CG1 3.26Å; I36-V76 WeakPolarHBondContact O-CG1 3.13Å; D38-V76 HydrophobicContact CB-CG2 4.33Å; I41-V76 HydrophobicContact CB-CG2 4Å; I41-V76 HydrophobicContact CG1-CG2 3.38Å; V74-V76 HydrophobicContact CG1-CG2 3.77Å; V76-V83 HydrophobicContact CG1-CG2 4.21Å; V76-V83 HydrophobicContact CG2-CG1 4.42Å; V76-V83 HydrophobicContact CG2-CG2 4.41Å
77	N	80.6	Confident	71.6	Confident	50 Å²	50	55.3 Å²	55.3	27%	0.267	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	98.5	168.9	-175.8	-11.2	0	0	0	108.1	T79 E80 S81 T82	N77-T79 VanDerWaalsContact C-N 3.31Å; N77-T79 PolarHBondContact O-N 2.82Å; N77-T79 PolarHBondContact OD1-N 3.19Å; N77-T79 PolarHBondContact OD1-OG1 3.47Å; N77-E80 HydrophobicContact CB-CB 4.45Å; N77-E80 WeakPolarHBondContact ND2-CG 3.29Å; N77-E80 PolarHBondContact ND2-OE2 2.92Å; N77-E80 VanDerWaalsContact ND2-OE2 3.14Å; N77-E80 PolarHBondContact OD1-N 2.98Å; N77-S81 CarbonylContact O-C 3.59Å; N77-S81 VanDerWaalsContact O-CA 3.29Å; N77-S81 WeakPolarHBondContact O-CA 3.36Å; N77-S81 PolarHBondContact O-N 2.82Å; N77-T82 WeakPolarHBondContact CB-OG1 3.48Å; N77-T82 PolarHBondContact N-O 3.34Å; N77-T82 PolarHBondContact O-N 3.32Å
78	D	77.7	Confident	73	Confident	31 Å²	31	50.5 Å²	50.5	17%	0.166	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-36.3	179.3	-179	58	0	0	0	112.2	P35 E80 S81 R115 F116	P35-D78 HydrophobicContact CB-CB 4.15Å; D78-E80 PolarHBondContact O-N 3.42Å; D78-S81 PolarHBondContact O-N 3.04Å; D78-S81 PolarHBondContact O-OG 3.09Å; D78-R115 IonicContact OD1-CZ 3.23Å; D78-R115 VanDerWaalsContact OD1-CZ 3.23Å; D78-R115 IonicContact OD1-NH1 2.84Å; D78-R115 PolarHBondContact OD1-NH1 2.89Å; D78-R115 IonicContact OD1-NH2 2.8Å; D78-R115 PolarHBondContact OD1-NH2 3.32Å; D78-F116 WeakPolarHBondContact OD1-CZ 3.47Å
79	T	81.1	Confident	74	Confident	125 Å²	125	50.1 Å²	50.1	77%	0.767	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-38.5	-179.2	65.1	0	0	0	0	113.5	N77 S81	N77-T79 VanDerWaalsContact C-N 3.31Å; N77-T79 PolarHBondContact O-N 2.82Å; N77-T79 PolarHBondContact OD1-N 3.19Å; N77-T79 PolarHBondContact OD1-OG1 3.47Å; T79-S81 VanDerWaalsContact C-N 3.33Å
80	E	82.2	Confident	74.9	Confident	132 Å²	132	51.1 Å²	51.1	62%	0.617	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.8	173.8	-66.3	-177.3	167.5	0	0	112.1	N77 D78 T82	N77-E80 HydrophobicContact CB-CB 4.45Å; N77-E80 WeakPolarHBondContact ND2-CG 3.29Å; N77-E80 PolarHBondContact ND2-OE2 2.92Å; N77-E80 VanDerWaalsContact ND2-OE2 3.14Å; N77-E80 PolarHBondContact OD1-N 2.98Å; D78-E80 PolarHBondContact O-N 3.42Å; E80-T82 VanDerWaalsContact C-N 3.29Å; E80-T82 HydrophobicContact CB-CG2 4.1Å; E80-T82 PolarHBondContact O-N 3.02Å
81	S	84.8	Confident	75.8	Confident	20 Å²	20	50 Å²	50	14%	0.14	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	52.4	-170.8	-59	0	0	0	0	111	N77 D78 T79 R115 F116 K117	N77-S81 CarbonylContact O-C 3.59Å; N77-S81 VanDerWaalsContact O-CA 3.29Å; N77-S81 WeakPolarHBondContact O-CA 3.36Å; N77-S81 PolarHBondContact O-N 2.82Å; D78-S81 PolarHBondContact O-N 3.04Å; D78-S81 PolarHBondContact O-OG 3.09Å; T79-S81 VanDerWaalsContact C-N 3.33Å; S81-R115 WeakPolarHBondContact CB-O 3.36Å; S81-F116 CarbonylContact O-C 3.52Å; S81-F116 VanDerWaalsContact O-CA 3.29Å; S81-F116 WeakPolarHBondContact O-CA 3.36Å; S81-K117 PolarHBondContact O-N 2.88Å
82	T	85.7	Confident	76.1	Confident	45 Å²	45	48.2 Å²	48.2	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.7	177.5	56.7	0	0	0	0	110.5	N77 E80 K117	N77-T82 WeakPolarHBondContact CB-OG1 3.48Å; N77-T82 PolarHBondContact N-O 3.34Å; N77-T82 PolarHBondContact O-N 3.32Å; E80-T82 VanDerWaalsContact C-N 3.29Å; E80-T82 HydrophobicContact CB-CG2 4.1Å; E80-T82 PolarHBondContact O-N 3.02Å; T82-K117 HydrophobicContact CG2-CB 4.31Å
83	V	85.8	Confident	76.1	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.1	174.2	177.9	0	0	0	0	107.3	I41 K75 V76 V85 L112 F116 K117 T118 D119	I41-V83 HydrophobicContact CD1-CG2 4.46Å; I41-V83 HydrophobicContact CG1-CG1 4.35Å; I41-V83 HydrophobicContact CG2-CG1 4.12Å; K75-V83 WeakPolarHBondContact O-CA 3.12Å; V76-V83 HydrophobicContact CG1-CG2 4.21Å; V76-V83 HydrophobicContact CG2-CG1 4.42Å; V76-V83 HydrophobicContact CG2-CG2 4.41Å; V83-V85 HydrophobicContact CG1-CG2 4.04Å; V83-L112 HydrophobicContact CB-CD1 4.43Å; V83-L112 HydrophobicContact CG2-CD1 3.86Å; V83-F116 HydrophobicContact CG2-CB 4.46Å; V83-F116 HydrophobicContact CG2-CD1 3.74Å; V83-F116 HydrophobicContact CG2-CE1 4.37Å; V83-F116 HydrophobicContact CG2-CG 4.38Å; V83-K117 PolarHBondContact N-O 3.45Å; V83-T118 HydrophobicContact CB-CG2 4.39Å; V83-T118 CarbonylContact O-C 3.57Å; V83-T118 WeakPolarHBondContact O-CA 3.39Å; V83-D119 PolarHBondContact O-N 3.1Å
84	S	85.2	Confident	75.9	Confident	26 Å²	26	48.7 Å²	48.7	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.9	175.6	167.7	0	0	0	0	109	V74 K75 D119 H121	V74-S84 CarbonylContact C-O 3.41Å; V74-S84 WeakPolarHBondContact CA-O 3.45Å; K75-S84 PolarHBondContact N-O 3.37Å; K75-S84 PolarHBondContact O-N 2.96Å; S84-D119 CarbonylContact C-O 3.58Å; S84-D119 WeakPolarHBondContact CA-O 3.29Å; S84-H121 PolarHBondContact OG-CE1 3.31Å; S84-H121 PolarHBondContact OG-NE2 2.87Å
85	V	84.4	Confident	75.4	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.7	-179.4	-177.6	0	0	0	0	109.3	L45 V72 V74 V83 I104 L108 D119 V120 H121	L45-V85 HydrophobicContact CD1-CG1 4.04Å; L45-V85 HydrophobicContact CD1-CG2 4.1Å; V72-V85 HydrophobicContact CG1-CG1 3.55Å; V74-V85 HydrophobicContact CG1-CG2 4.45Å; V74-V85 HydrophobicContact CG2-CG2 4.48Å; V83-V85 HydrophobicContact CG1-CG2 4.04Å; V85-I104 HydrophobicContact CG1-CG2 4.12Å; V85-L108 HydrophobicContact CG2-CD1 3.75Å; V85-D119 PolarHBondContact N-O 3.17Å; V85-V120 HydrophobicContact CB-CG2 4.43Å; V85-V120 WeakPolarHBondContact O-CA 3.48Å; V85-H121 PolarHBondContact O-N 3.46Å
86	E	83.5	Confident	74.9	Confident	19 Å²	19	49.1 Å²	49.1	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.2	170.4	-65.3	169.8	-149.4	0	0	109.2	V72 R73 K75 H121	V72-E86 CarbonylContact C-O 3.5Å; V72-E86 VanDerWaalsContact CA-O 3.23Å; V72-E86 WeakPolarHBondContact CA-O 3.3Å; R73-E86 HydrophobicContact CB-CB 4.01Å; R73-E86 WeakPolarHBondContact CD-OE2 3.26Å; R73-E86 HydrophobicContact CG-CB 4.37Å; R73-E86 PolarHBondContact N-O 3.14Å; R73-E86 IonicContact NH1-OE2 3.54Å; R73-E86 PolarHBondContact O-N 3.18Å; K75-E86 IonicContact NZ-OE1 3.16Å; K75-E86 PolarHBondContact NZ-OE1 2.87Å; K75-E86 VanDerWaalsContact NZ-OE1 3.14Å; E86-H121 CarbonylContact C-O 3.59Å; E86-H121 VanDerWaalsContact CA-O 3.24Å; E86-H121 WeakPolarHBondContact CA-O 3.29Å; E86-H121 WeakPolarHBondContact CG-CE1 3.37Å; E86-H121 VanDerWaalsContact CG-ND1 3.29Å; E86-H121 WeakPolarHBondContact CG-ND1 3.35Å
87	F	78.6	Confident	74.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.2	172.2	74	-80.5	0	0	0	111.3	V72 A97 I100 I104 V120 H121 I122 T123 L137	V72-F87 HydrophobicContact CG2-CB 4.47Å; F87-A97 VanDerWaalsContact CZ-O 3.29Å; F87-A97 WeakPolarHBondContact CZ-O 3.37Å; F87-I100 HydrophobicContact CD2-CG2 3.71Å; F87-I100 HydrophobicContact CE2-CB 4.06Å; F87-I100 HydrophobicContact CE2-CG2 3.75Å; F87-I100 HydrophobicContact CG-CG2 4.39Å; F87-I100 HydrophobicContact CZ-CG2 4.45Å; F87-I104 HydrophobicContact CB-CD1 4.28Å; F87-I104 HydrophobicContact CD1-CD1 4.31Å; F87-I104 HydrophobicContact CG-CD1 4.23Å; F87-V120 HydrophobicContact CD1-CG1 3.96Å; F87-V120 HydrophobicContact CE1-CG1 3.93Å; F87-H121 WeakPolarHBondContact CD1-O 3.41Å; F87-H121 PolarHBondContact N-O 2.77Å; F87-I122 HydrophobicContact CD1-CG1 4.46Å; F87-I122 HydrophobicContact CE1-CG1 3.73Å; F87-I122 HydrophobicContact CE2-CD1 4.42Å; F87-I122 HydrophobicContact CE2-CG1 3.84Å; F87-I122 HydrophobicContact CZ-CD1 4.06Å; F87-I122 HydrophobicContact CZ-CG1 3.38Å; F87-I122 CarbonylContact O-C 3.54Å; F87-I122 VanDerWaalsContact O-CA 3.27Å; F87-I122 WeakPolarHBondContact O-CA 3.36Å; F87-T123 PolarHBondContact O-N 3.2Å; F87-T123 PolarHBondContact O-OG1 2.89Å; F87-L137 HydrophobicContact CE1-CD1 4.02Å; F87-L137 HydrophobicContact CZ-CD1 4.34Å
88	T	73.9	Confident	74.8	Confident	14 Å²	14	46.5 Å²	46.5	9%	0.086	26%	0.263	C	S	.	.			trans	-109	114.9	178.8	-64.9	0	0	0	0	109.1	V68 T123 T126	V68-T88 VanDerWaalsContact CG1-O 3.23Å; V68-T88 WeakPolarHBondContact CG1-O 3.16Å; V68-T88 VanDerWaalsContact CG2-O 3.22Å; V68-T88 WeakPolarHBondContact CG2-O 3.44Å; T88-T123 VanDerWaalsContact OG1-CB 3.31Å; T88-T123 WeakPolarHBondContact OG1-CB 3.48Å; T88-T123 PolarHBondContact OG1-OG1 2.97Å; T88-T126 HydrophobicContact CG2-CG2 3.76Å
89	P	68.9	Low	74.8	Confident	7 Å²	7	47 Å²	47	5%	0.045	27%	0.265	C	S	.	.			trans	-68.6	152.3	175.7	26.9	-31.3	0	0	0	111.6	I91 A97 I122 H127	P89-I91 VanDerWaalsContact C-N 3.29Å; P89-I91 PolarHBondContact O-N 3.28Å; P89-A97 HydrophobicContact CB-CB 4.08Å; P89-A97 HydrophobicContact CG-CB 4.42Å; P89-I122 HydrophobicContact CG-CG2 4.2Å; P89-H127 HydrophobicContact CG-CB 3.8Å
90	T	62	Low	74.6	Confident	51 Å²	51	41.9 Å²	41.9	31%	0.313	23%	0.233	S	C	.	.	S	Bend	trans	-63.4	-32.6	-179	46.7	0	0	0	0	113.3	L63 L66 V68	L63-T90 HydrophobicContact CD2-CG2 3.91Å; L66-T90 HydrophobicContact CB-CG2 3.86Å; L66-T90 HydrophobicContact CD1-CG2 4.15Å; L66-T90 HydrophobicContact CD2-CG2 3.83Å; L66-T90 HydrophobicContact CG-CG2 4.14Å; V68-T90 HydrophobicContact CB-CG2 4.17Å; V68-T90 HydrophobicContact CG2-CG2 3.26Å
91	I	64.9	Low	74.6	Confident	88 Å²	88	35.6 Å²	35.6	45%	0.451	20%	0.204	S	C	.	.	S	Bend	trans	-136	137.2	-172.9	-56.9	174.6	0	0	0	109.3	P89 H93 C94	P89-I91 VanDerWaalsContact C-N 3.29Å; P89-I91 PolarHBondContact O-N 3.28Å; I91-H93 PolarHBondContact O-N 2.78Å; I91-C94 HydrophobicContact CB-CB 4.34Å; I91-C94 VanDerWaalsContact O-CB 3.29Å; I91-C94 WeakPolarHBondContact O-CB 3.25Å; I91-C94 PolarHBondContact O-N 3.15Å
92	P	55.3	Low	74.5	Confident	65 Å²	65	35.9 Å²	35.9	42%	0.422	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.5	-175.5	25.8	-35.9	0	0	0	115.6	H127 A128	P92-H127 VanDerWaalsContact C-CD2 3.43Å; P92-H127 PolarHBondContact O-CD2 2.94Å; P92-H127 PolarHBondContact O-NE2 3.29Å; P92-A128 VanDerWaalsContact O-CB 3.29Å; P92-A128 WeakPolarHBondContact O-CB 3.47Å; P92-A128 PolarHBondContact O-N 3.3Å
93	H	60.6	Low	74.1	Confident	148 Å²	148	33.8 Å²	33.8	69%	0.685	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123	21.3	178	-62	-59.6	0	0	0	113.1	I91 S95	I91-H93 PolarHBondContact O-N 2.78Å; H93-S95 PolarHBondContact O-N 3.03Å
94	C	63.6	Low	73.8	Confident	23 Å²	23	33.9 Å²	33.9	16%	0.155	19%	0.191	C	C	.	.			trans	-72.8	114.2	-172.7	-166.2	0	0	0	0	112	I91 M96 A97 H127	I91-C94 HydrophobicContact CB-CB 4.34Å; I91-C94 VanDerWaalsContact O-CB 3.29Å; I91-C94 WeakPolarHBondContact O-CB 3.25Å; I91-C94 PolarHBondContact O-N 3.15Å; C94-M96 PolarHBondContact O-N 3.44Å; C94-M96 WeakPolarHBondContact SG-CB 3.29Å; C94-M96 PolarHBondContact SG-N 2.98Å; C94-A97 WeakPolarHBondContact O-CB 3.47Å; C94-A97 PolarHBondContact O-N 3.11Å; C94-A97 VanDerWaalsContact O-N 3.13Å; C94-H127 PolarHBondContact N-NE2 3.43Å; C94-H127 PolarHBondContact O-NE2 3.21Å
95	S	64.8	Low	73.8	Confident	94 Å²	94	33.1 Å²	33.1	66%	0.657	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.1	170.2	56.7	0	0	0	0	113	H93 A97	H93-S95 PolarHBondContact O-N 3.03Å; S95-A97 VanDerWaalsContact C-N 3.3Å
96	M	71.6	Confident	73.7	Confident	56 Å²	56	33.2 Å²	33.2	28%	0.276	19%	0.186	S	C	.	.	H	α-helix	trans	-78.1	-11.6	175.9	-55.2	-74.2	117.4	0	0	113	C94 T98 L99 I100	C94-M96 PolarHBondContact O-N 3.44Å; C94-M96 WeakPolarHBondContact SG-CB 3.29Å; C94-M96 PolarHBondContact SG-N 2.98Å; M96-T98 VanDerWaalsContact C-N 3.28Å; M96-T98 PolarHBondContact O-N 3.48Å; M96-L99 HydrophobicContact CE-CD1 3.83Å; M96-L99 PolarHBondContact O-N 3.39Å; M96-L99 VanDerWaalsContact O-N 3.09Å; M96-L99 HydrophobicContact SD-CD1 3.72Å; M96-I100 HydrophobicContact CB-CD1 4.47Å; M96-I100 VanDerWaalsContact O-CG1 3.29Å; M96-I100 WeakPolarHBondContact O-CG1 3.15Å; M96-I100 PolarHBondContact O-N 3.24Å
97	A	76	Confident	73.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-40.1	179	0	0	0	0	0	112	F87 P89 C94 S95 G101 I122	F87-A97 VanDerWaalsContact CZ-O 3.29Å; F87-A97 WeakPolarHBondContact CZ-O 3.37Å; P89-A97 HydrophobicContact CB-CB 4.08Å; P89-A97 HydrophobicContact CG-CB 4.42Å; C94-A97 WeakPolarHBondContact O-CB 3.47Å; C94-A97 PolarHBondContact O-N 3.11Å; C94-A97 VanDerWaalsContact O-N 3.13Å; S95-A97 VanDerWaalsContact C-N 3.3Å; A97-G101 PolarHBondContact O-N 3.35Å; A97-I122 HydrophobicContact CB-CD1 3.98Å
98	T	80.1	Confident	73.5	Confident	30 Å²	30	35.1 Å²	35.1	18%	0.184	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-40.6	175.1	-51.9	0	0	0	0	112	M96 G101 L102	M96-T98 VanDerWaalsContact C-N 3.28Å; M96-T98 PolarHBondContact O-N 3.48Å; T98-G101 PolarHBondContact O-N 2.75Å; T98-L102 HydrophobicContact CG2-CD1 4.05Å; T98-L102 HydrophobicContact CG2-CG 4.42Å; T98-L102 WeakPolarHBondContact O-CB 3.48Å; T98-L102 VanDerWaalsContact O-CG 3.3Å; T98-L102 WeakPolarHBondContact O-CG 3.42Å; T98-L102 PolarHBondContact O-N 2.74Å
99	L	77.1	Confident	73.9	Confident	41 Å²	41	38.1 Å²	38.1	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-39.2	179.1	-72.3	173.5	0	0	0	112	M96 S103	M96-L99 HydrophobicContact CE-CD1 3.83Å; M96-L99 PolarHBondContact O-N 3.39Å; M96-L99 VanDerWaalsContact O-N 3.09Å; M96-L99 HydrophobicContact SD-CD1 3.72Å; L99-S103 WeakPolarHBondContact O-CB 3.4Å; L99-S103 PolarHBondContact O-N 3.17Å; L99-S103 PolarHBondContact O-OG 2.86Å
100	I	77.3	Confident	74.4	Confident	18 Å²	18	44.5 Å²	44.5	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-55.1	172.5	-69.2	161.2	0	0	0	109.7	I54 F87 M96 L102 S103 I104	I54-I100 HydrophobicContact CD1-CD1 3.94Å; I54-I100 HydrophobicContact CD1-CG1 3.29Å; F87-I100 HydrophobicContact CD2-CG2 3.71Å; F87-I100 HydrophobicContact CE2-CB 4.06Å; F87-I100 HydrophobicContact CE2-CG2 3.75Å; F87-I100 HydrophobicContact CG-CG2 4.39Å; F87-I100 HydrophobicContact CZ-CG2 4.45Å; M96-I100 HydrophobicContact CB-CD1 4.47Å; M96-I100 VanDerWaalsContact O-CG1 3.29Å; M96-I100 WeakPolarHBondContact O-CG1 3.15Å; M96-I100 PolarHBondContact O-N 3.24Å; I100-L102 VanDerWaalsContact C-N 3.33Å; I100-L102 PolarHBondContact O-N 3.3Å; I100-S103 PolarHBondContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 3.81Å; I100-I104 WeakPolarHBondContact O-CG1 3.17Å; I100-I104 PolarHBondContact O-N 3.46Å
101	G	81.7	Confident	75.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-40.6	-179.1	0	0	0	0	0	113.2	A97 T98 K105 L137	A97-G101 PolarHBondContact O-N 3.35Å; T98-G101 PolarHBondContact O-N 2.75Å; G101-K105 WeakPolarHBondContact O-CB 3.35Å; G101-K105 PolarHBondContact O-N 3.21Å; G101-L137 VanDerWaalsContact C-CD2 3.46Å
102	L	82.8	Confident	75.9	Confident	25 Å²	25	40.8 Å²	40.8	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-45.6	175.5	-79.7	170.7	0	0	0	111.4	T98 I100 I104 K105 V106 L137 V143	T98-L102 HydrophobicContact CG2-CD1 4.05Å; T98-L102 HydrophobicContact CG2-CG 4.42Å; T98-L102 WeakPolarHBondContact O-CB 3.48Å; T98-L102 VanDerWaalsContact O-CG 3.3Å; T98-L102 WeakPolarHBondContact O-CG 3.42Å; T98-L102 PolarHBondContact O-N 2.74Å; I100-L102 VanDerWaalsContact C-N 3.33Å; I100-L102 PolarHBondContact O-N 3.3Å; L102-I104 PolarHBondContact O-N 2.68Å; L102-K105 PolarHBondContact O-N 3.38Å; L102-V106 WeakPolarHBondContact O-CG2 3.24Å; L102-V106 PolarHBondContact O-N 3.21Å; L102-L137 HydrophobicContact CD2-CD2 4.09Å; L102-L137 HydrophobicContact CG-CD2 3.92Å; L102-V143 HydrophobicContact CD2-CB 4.47Å; L102-V143 HydrophobicContact CD2-CG1 4.22Å; L102-V143 HydrophobicContact CD2-CG2 3.93Å
103	S	78.7	Confident	77.1	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-41.1	-178.8	-57.8	0	0	0	0	112	L99 I100 V106 K107	L99-S103 WeakPolarHBondContact O-CB 3.4Å; L99-S103 PolarHBondContact O-N 3.17Å; L99-S103 PolarHBondContact O-OG 2.86Å; I100-S103 PolarHBondContact O-N 3.16Å; S103-V106 PolarHBondContact O-N 2.9Å; S103-K107 PolarHBondContact O-N 3.3Å
104	I	79.5	Confident	78	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-56.8	-51.3	171.1	-69.8	169.9	0	0	0	109.8	L45 L48 L50 V85 F87 I100 L102 V106 K107 L108 V120	L45-I104 HydrophobicContact CD2-CG1 4.48Å; L45-I104 HydrophobicContact CD2-CG2 3.82Å; L48-I104 HydrophobicContact CD2-CG1 4.42Å; L50-I104 HydrophobicContact CD2-CG1 4.02Å; V85-I104 HydrophobicContact CG1-CG2 4.12Å; F87-I104 HydrophobicContact CB-CD1 4.28Å; F87-I104 HydrophobicContact CD1-CD1 4.31Å; F87-I104 HydrophobicContact CG-CD1 4.23Å; I100-I104 HydrophobicContact CG2-CD1 3.81Å; I100-I104 WeakPolarHBondContact O-CG1 3.17Å; I100-I104 PolarHBondContact O-N 3.46Å; L102-I104 PolarHBondContact O-N 2.68Å; I104-V106 PolarHBondContact O-N 3.17Å; I104-K107 PolarHBondContact O-N 2.62Å; I104-L108 HydrophobicContact CG2-CD1 3.85Å; I104-L108 HydrophobicContact CG2-CG 4.44Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 2.91Å; I104-V120 HydrophobicContact CB-CG1 4.32Å; I104-V120 HydrophobicContact CG2-CG1 3.94Å; I104-V120 HydrophobicContact CG2-CG2 3.93Å
105	K	84.4	Confident	79.1	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-44.3	-177.4	-168	147.9	-171.1	157.2	0	112.3	G101 L102 L108 L109 T118 V120 L137 V143	G101-K105 WeakPolarHBondContact O-CB 3.35Å; G101-K105 PolarHBondContact O-N 3.21Å; L102-K105 PolarHBondContact O-N 3.38Å; K105-L108 PolarHBondContact O-N 2.74Å; K105-L109 HydrophobicContact CG-CD1 4.14Å; K105-L109 WeakPolarHBondContact O-CB 2.97Å; K105-L109 VanDerWaalsContact O-CG 3.22Å; K105-L109 WeakPolarHBondContact O-CG 3.43Å; K105-L109 PolarHBondContact O-N 3.18Å; K105-T118 PolarHBondContact NZ-O 3.42Å; K105-V120 HydrophobicContact CB-CG2 4.04Å; K105-V120 HydrophobicContact CD-CG2 4.3Å; K105-V120 HydrophobicContact CG-CG2 4.35Å; K105-L137 WeakPolarHBondContact CD-O 3.37Å; K105-L137 WeakPolarHBondContact CE-O 3.47Å; K105-L137 PolarHBondContact NZ-O 3.23Å; K105-V143 HydrophobicContact CD-CG2 4.43Å
106	V	82.7	Confident	79.9	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-42.3	177.7	173.5	0	0	0	0	111.7	L102 S103 I104 L109 R110 L147 V156 L160	L102-V106 WeakPolarHBondContact O-CG2 3.24Å; L102-V106 PolarHBondContact O-N 3.21Å; S103-V106 PolarHBondContact O-N 2.9Å; I104-V106 PolarHBondContact O-N 3.17Å; V106-L109 PolarHBondContact O-N 3.4Å; V106-R110 HydrophobicContact CG1-CG 4.44Å; V106-R110 WeakPolarHBondContact O-CB 3.2Å; V106-R110 VanDerWaalsContact O-CG 3.31Å; V106-R110 WeakPolarHBondContact O-CG 3.45Å; V106-R110 PolarHBondContact O-N 2.98Å; V106-L147 HydrophobicContact CB-CD2 4.41Å; V106-L147 HydrophobicContact CG1-CD2 4.29Å; V106-L147 HydrophobicContact CG2-CD1 3.82Å; V106-L147 HydrophobicContact CG2-CD2 3.22Å; V106-L147 HydrophobicContact CG2-CG 4.06Å; V106-V156 HydrophobicContact CB-CG1 4.35Å; V106-V156 HydrophobicContact CG1-CG1 4.4Å; V106-V156 HydrophobicContact CG2-CG1 4.29Å; V106-L160 HydrophobicContact CG1-CD1 4.1Å
107	K	77.8	Confident	80.7	Confident	60 Å²	60	45.3 Å²	45.3	26%	0.261	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-48.1	177.4	179.2	72.6	172.2	175.2	0	111.4	I44 L48 S103 I104 L109 R110 S111 L160	I44-K107 HydrophobicContact CG2-CG 4.02Å; L48-K107 HydrophobicContact CD1-CB 3.6Å; L48-K107 HydrophobicContact CD1-CD 3.36Å; L48-K107 HydrophobicContact CD1-CG 3.24Å; L48-K107 HydrophobicContact CD2-CB 4.48Å; L48-K107 HydrophobicContact CG-CG 4.5Å; S103-K107 PolarHBondContact O-N 3.3Å; I104-K107 PolarHBondContact O-N 2.62Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.49Å; K107-R110 CarbonylContact O-C 3.59Å; K107-R110 PolarHBondContact O-N 3.01Å; K107-S111 WeakPolarHBondContact CD-OG 3.26Å; K107-S111 VanDerWaalsContact CE-OG 3.24Å; K107-S111 WeakPolarHBondContact CE-OG 3.34Å; K107-S111 VanDerWaalsContact O-CB 3.3Å; K107-S111 WeakPolarHBondContact O-CB 3.49Å; K107-S111 PolarHBondContact O-N 3.47Å; K107-S111 PolarHBondContact O-OG 3.23Å; K107-L160 HydrophobicContact CB-CD2 4.05Å
108	L	80	Confident	81.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-42.8	179	-66.7	171.5	0	0	0	110.2	I41 L45 V85 I104 K105 R110 S111 L112 T118 V120	I41-L108 HydrophobicContact CD1-CD2 4.45Å; I41-L108 HydrophobicContact CG2-CD2 3.89Å; L45-L108 HydrophobicContact CD2-CD2 4.02Å; L45-L108 HydrophobicContact CD2-CG 4.2Å; L45-L108 HydrophobicContact CG-CD2 4.29Å; V85-L108 HydrophobicContact CG2-CD1 3.75Å; I104-L108 HydrophobicContact CG2-CD1 3.85Å; I104-L108 HydrophobicContact CG2-CG 4.44Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 2.91Å; K105-L108 PolarHBondContact O-N 2.74Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 PolarHBondContact O-N 2.96Å; L108-S111 PolarHBondContact O-N 3.17Å; L108-L112 HydrophobicContact CB-CD1 4.17Å; L108-L112 HydrophobicContact CD2-CD1 4.07Å; L108-L112 WeakPolarHBondContact O-CB 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 2.65Å; L108-T118 HydrophobicContact CB-CG2 3.69Å; L108-T118 HydrophobicContact CD1-CG2 4.38Å; L108-V120 HydrophobicContact CD1-CG2 4.19Å
109	L	82.6	Confident	81.6	Confident	77 Å²	77	48 Å²	48	40%	0.403	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-32.5	173.9	-73	169.5	0	0	0	113.7	K105 V106 K107	K105-L109 HydrophobicContact CG-CD1 4.14Å; K105-L109 WeakPolarHBondContact O-CB 2.97Å; K105-L109 VanDerWaalsContact O-CG 3.22Å; K105-L109 WeakPolarHBondContact O-CG 3.43Å; K105-L109 PolarHBondContact O-N 3.18Å; V106-L109 PolarHBondContact O-N 3.4Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.49Å
110	R	79.9	Confident	82.1	Confident	142 Å²	142	46.1 Å²	46.1	54%	0.536	23%	0.225	S	C	.	.	H	α-helix	trans	-84.2	-24.8	178.2	-74.2	178.6	179.5	172.5	4.1	113.9	V106 K107 L108 N157	V106-R110 HydrophobicContact CG1-CG 4.44Å; V106-R110 WeakPolarHBondContact O-CB 3.2Å; V106-R110 VanDerWaalsContact O-CG 3.31Å; V106-R110 WeakPolarHBondContact O-CG 3.45Å; V106-R110 PolarHBondContact O-N 2.98Å; K107-R110 CarbonylContact O-C 3.59Å; K107-R110 PolarHBondContact O-N 3.01Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 PolarHBondContact O-N 2.96Å; R110-N157 PolarHBondContact NH1-OD1 3.07Å; R110-N157 PolarHBondContact NH2-OD1 2.99Å; R110-N157 VanDerWaalsContact NH2-OD1 3.08Å
111	S	77.6	Confident	82.6	Confident	47 Å²	47	47 Å²	47	33%	0.329	23%	0.228	S	C	.	.	H	α-helix	trans	-102.5	-26.6	-172.3	-44.6	0	0	0	0	111.9	K107 L108	K107-S111 WeakPolarHBondContact CD-OG 3.26Å; K107-S111 VanDerWaalsContact CE-OG 3.24Å; K107-S111 WeakPolarHBondContact CE-OG 3.34Å; K107-S111 VanDerWaalsContact O-CB 3.3Å; K107-S111 WeakPolarHBondContact O-CB 3.49Å; K107-S111 PolarHBondContact O-N 3.47Å; K107-S111 PolarHBondContact O-OG 3.23Å; L108-S111 PolarHBondContact O-N 3.17Å
112	L	79.2	Confident	82.8	Confident	13 Å²	13	47 Å²	47	7%	0.068	23%	0.229	C	C	.	.	S	Bend	trans	-98.1	149.1	178.3	-61.4	171.8	0	0	0	111.7	I36 I41 I44 V83 L108 F116 T118	I36-L112 HydrophobicContact CD1-CD2 3.64Å; I36-L112 HydrophobicContact CG2-CD2 4.29Å; I41-L112 HydrophobicContact CD1-CD1 3.7Å; I41-L112 HydrophobicContact CD1-CD2 3.31Å; I41-L112 HydrophobicContact CD1-CG 3.96Å; I44-L112 HydrophobicContact CD1-CD2 4.41Å; V83-L112 HydrophobicContact CB-CD1 4.43Å; V83-L112 HydrophobicContact CG2-CD1 3.86Å; L108-L112 HydrophobicContact CB-CD1 4.17Å; L108-L112 HydrophobicContact CD2-CD1 4.07Å; L108-L112 WeakPolarHBondContact O-CB 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 2.65Å; L112-F116 HydrophobicContact CB-CB 4.28Å; L112-F116 HydrophobicContact CB-CD2 4.33Å; L112-F116 HydrophobicContact CD1-CB 4.31Å; L112-T118 HydrophobicContact CD1-CG2 3.93Å
113	P	80.3	Confident	82.8	Confident	65 Å²	65	46.6 Å²	46.6	42%	0.422	23%	0.227	S	C	.	.			trans	-62	147.2	170.9	-16.9	26.9	0	0	0	111.9	R115 F116	P113-R115 HydrophobicContact CB-CG 4.22Å; P113-R115 PolarHBondContact O-N 3.14Å; P113-F116 HydrophobicContact CB-CD2 4.47Å; P113-F116 HydrophobicContact CG-CD2 4.34Å; P113-F116 HydrophobicContact CG-CE2 4.33Å; P113-F116 PolarHBondContact O-N 2.85Å
114	D	80.9	Confident	83	Confident	161 Å²	161	51.3 Å²	51.3	86%	0.861	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.4	-179	-70.1	-21.1	0	0	0	114.9	F116	D114-F116 PolarHBondContact O-N 2.92Å
115	R	85.4	Confident	83.1	Confident	106 Å²	106	54.5 Å²	54.5	40%	0.4	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.4	172.1	76.7	-174.1	174.3	109.8	-4.3	112.3	D78 S81 P113	D78-R115 IonicContact OD1-CZ 3.23Å; D78-R115 VanDerWaalsContact OD1-CZ 3.23Å; D78-R115 IonicContact OD1-NH1 2.84Å; D78-R115 PolarHBondContact OD1-NH1 2.89Å; D78-R115 IonicContact OD1-NH2 2.8Å; D78-R115 PolarHBondContact OD1-NH2 3.32Å; S81-R115 WeakPolarHBondContact CB-O 3.36Å; P113-R115 HydrophobicContact CB-CG 4.22Å; P113-R115 PolarHBondContact O-N 3.14Å
116	F	83.2	Confident	82.6	Confident	11 Å²	11	55.8 Å²	55.8	5%	0.048	30%	0.301	C	S	.	.			trans	-83.1	126.6	-175.7	-74.4	-84.8	0	0	0	112.8	I36 D78 S81 V83 L112 P113 D114	I36-F116 HydrophobicContact CB-CZ 4.07Å; I36-F116 HydrophobicContact CD1-CD2 4.31Å; I36-F116 HydrophobicContact CD1-CE2 3.47Å; I36-F116 VanDerWaalsContact CD1-CE2 3.47Å; I36-F116 HydrophobicContact CD1-CZ 3.69Å; I36-F116 HydrophobicContact CG1-CE2 4.25Å; I36-F116 HydrophobicContact CG1-CZ 4.03Å; D78-F116 WeakPolarHBondContact OD1-CZ 3.47Å; S81-F116 CarbonylContact O-C 3.52Å; S81-F116 VanDerWaalsContact O-CA 3.29Å; S81-F116 WeakPolarHBondContact O-CA 3.36Å; V83-F116 HydrophobicContact CG2-CB 4.46Å; V83-F116 HydrophobicContact CG2-CD1 3.74Å; V83-F116 HydrophobicContact CG2-CE1 4.37Å; V83-F116 HydrophobicContact CG2-CG 4.38Å; L112-F116 HydrophobicContact CB-CB 4.28Å; L112-F116 HydrophobicContact CB-CD2 4.33Å; L112-F116 HydrophobicContact CD1-CB 4.31Å; P113-F116 HydrophobicContact CB-CD2 4.47Å; P113-F116 HydrophobicContact CG-CD2 4.34Å; P113-F116 HydrophobicContact CG-CE2 4.33Å; P113-F116 PolarHBondContact O-N 2.85Å; D114-F116 PolarHBondContact O-N 2.92Å
117	K	87.6	Confident	82.4	Confident	139 Å²	139	56.4 Å²	56.4	60%	0.604	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.1	170.2	-64.4	175.1	-174.3	168.1	0	108.8	S81 T82 V83	S81-K117 PolarHBondContact O-N 2.88Å; T82-K117 HydrophobicContact CG2-CB 4.31Å; V83-K117 PolarHBondContact N-O 3.45Å
118	T	86.9	Confident	82.5	Confident	16 Å²	16	56.8 Å²	56.8	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120	179.4	54.6	0	0	0	0	111	V83 K105 L108 L112	V83-T118 HydrophobicContact CB-CG2 4.39Å; V83-T118 CarbonylContact O-C 3.57Å; V83-T118 WeakPolarHBondContact O-CA 3.39Å; K105-T118 PolarHBondContact NZ-O 3.42Å; L108-T118 HydrophobicContact CB-CG2 3.69Å; L108-T118 HydrophobicContact CD1-CG2 4.38Å; L112-T118 HydrophobicContact CD1-CG2 3.93Å
119	D	88.1	Confident	82.6	Confident	71 Å²	71	59.8 Å²	59.8	38%	0.38	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.6	173.1	-161.8	10.7	0	0	0	109.8	V83 S84 V85 H121	V83-D119 PolarHBondContact O-N 3.1Å; S84-D119 CarbonylContact C-O 3.58Å; S84-D119 WeakPolarHBondContact CA-O 3.29Å; V85-D119 PolarHBondContact N-O 3.17Å; D119-H121 IonicContact OD1-CD2 3.99Å; D119-H121 IonicContact OD2-CD2 3.67Å; D119-H121 PolarHBondContact OD2-CD2 2.92Å; D119-H121 IonicContact OD2-NE2 2.63Å
120	V	87.3	Confident	82.8	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.1	-174.5	-175.8	0	0	0	0	107.6	V85 F87 I104 K105 L108 L137	V85-V120 HydrophobicContact CB-CG2 4.43Å; V85-V120 WeakPolarHBondContact O-CA 3.48Å; F87-V120 HydrophobicContact CD1-CG1 3.96Å; F87-V120 HydrophobicContact CE1-CG1 3.93Å; I104-V120 HydrophobicContact CB-CG1 4.32Å; I104-V120 HydrophobicContact CG2-CG1 3.94Å; I104-V120 HydrophobicContact CG2-CG2 3.93Å; K105-V120 HydrophobicContact CB-CG2 4.04Å; K105-V120 HydrophobicContact CD-CG2 4.3Å; K105-V120 HydrophobicContact CG-CG2 4.35Å; L108-V120 HydrophobicContact CD1-CG2 4.19Å; V120-L137 HydrophobicContact CG1-CD1 4.35Å
121	H	87.7	Confident	83.1	Confident	35 Å²	35	59 Å²	59	16%	0.162	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.9	-175.3	37	77.5	0	0	0	111.6	S84 V85 E86 F87 D119 N134	S84-H121 PolarHBondContact OG-CE1 3.31Å; S84-H121 PolarHBondContact OG-NE2 2.87Å; V85-H121 PolarHBondContact O-N 3.46Å; E86-H121 CarbonylContact C-O 3.59Å; E86-H121 VanDerWaalsContact CA-O 3.24Å; E86-H121 WeakPolarHBondContact CA-O 3.29Å; E86-H121 WeakPolarHBondContact CG-CE1 3.37Å; E86-H121 VanDerWaalsContact CG-ND1 3.29Å; E86-H121 WeakPolarHBondContact CG-ND1 3.35Å; F87-H121 WeakPolarHBondContact CD1-O 3.41Å; F87-H121 PolarHBondContact N-O 2.77Å; D119-H121 IonicContact OD1-CD2 3.99Å; D119-H121 IonicContact OD2-CD2 3.67Å; D119-H121 PolarHBondContact OD2-CD2 2.92Å; D119-H121 IonicContact OD2-NE2 2.63Å; H121-N134 WeakPolarHBondContact CA-OD1 3.29Å; H121-N134 HydrophobicContact CB-CB 4.45Å
122	I	85.6	Confident	83.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.6	173.8	-66.1	175.2	0	0	0	109.3	F87 P89 A97 T126 H127 E130 V133 N134	F87-I122 HydrophobicContact CD1-CG1 4.46Å; F87-I122 HydrophobicContact CE1-CG1 3.73Å; F87-I122 HydrophobicContact CE2-CD1 4.42Å; F87-I122 HydrophobicContact CE2-CG1 3.84Å; F87-I122 HydrophobicContact CZ-CD1 4.06Å; F87-I122 HydrophobicContact CZ-CG1 3.38Å; F87-I122 CarbonylContact O-C 3.54Å; F87-I122 VanDerWaalsContact O-CA 3.27Å; F87-I122 WeakPolarHBondContact O-CA 3.36Å; P89-I122 HydrophobicContact CG-CG2 4.2Å; A97-I122 HydrophobicContact CB-CD1 3.98Å; I122-T126 WeakPolarHBondContact CG2-OG1 3.49Å; I122-H127 HydrophobicContact CD1-CB 4.19Å; I122-H127 HydrophobicContact CG2-CB 3.91Å; I122-E130 HydrophobicContact CB-CB 4.22Å; I122-E130 HydrophobicContact CG2-CB 4.07Å; I122-V133 HydrophobicContact CD1-CB 3.75Å; I122-V133 HydrophobicContact CD1-CG1 3.66Å; I122-V133 HydrophobicContact CD1-CG2 4.17Å; I122-V133 HydrophobicContact CG1-CG1 4.38Å; I122-N134 PolarHBondContact N-OD1 2.87Å
123	T	83.4	Confident	84	Confident	17 Å²	17	58.9 Å²	58.9	10%	0.104	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-58.8	128.2	173.5	-56.9	0	0	0	0	110.6	F87 T88 G125 T126	F87-T123 PolarHBondContact O-N 3.2Å; F87-T123 PolarHBondContact O-OG1 2.89Å; T88-T123 VanDerWaalsContact OG1-CB 3.31Å; T88-T123 WeakPolarHBondContact OG1-CB 3.48Å; T88-T123 PolarHBondContact OG1-OG1 2.97Å; T123-G125 PolarHBondContact O-N 2.97Å; T123-T126 HydrophobicContact CG2-CG2 3.88Å; T123-T126 WeakPolarHBondContact O-CB 3.42Å; T123-T126 WeakPolarHBondContact O-CG2 3.33Å; T123-T126 PolarHBondContact O-N 3.23Å; T123-T126 PolarHBondContact O-OG1 3.38Å
124	P	82.8	Confident	84.4	Confident	99 Å²	99	57.7 Å²	57.7	64%	0.643	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	136.4	-176.4	-25.5	33.7	0	0	0	113.5	T126 E130	P124-T126 VanDerWaalsContact C-N 3.34Å; P124-E130 WeakPolarHBondContact CA-OE2 3.17Å
125	G	81.1	Confident	84.8	Confident	72 Å²	72	57.7 Å²	57.7	74%	0.742	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	7.2	-179.4	0	0	0	0	0	115	T123 E130	T123-G125 PolarHBondContact O-N 2.97Å; G125-E130 VanDerWaalsContact N-CD 3.34Å; G125-E130 PolarHBondContact N-OE1 3.02Å; G125-E130 PolarHBondContact N-OE2 3.48Å
126	T	73.8	Confident	84.9	Confident	36 Å²	36	55.8 Å²	55.8	22%	0.221	32%	0.32	C	S	.	.	S	Bend	trans	-102.5	-14.9	-176.8	66.9	0	0	0	0	114.1	T88 I122 T123 P124 E130	T88-T126 HydrophobicContact CG2-CG2 3.76Å; I122-T126 WeakPolarHBondContact CG2-OG1 3.49Å; T123-T126 HydrophobicContact CG2-CG2 3.88Å; T123-T126 WeakPolarHBondContact O-CB 3.42Å; T123-T126 WeakPolarHBondContact O-CG2 3.33Å; T123-T126 PolarHBondContact O-N 3.23Å; T123-T126 PolarHBondContact O-OG1 3.38Å; P124-T126 VanDerWaalsContact C-N 3.34Å; T126-E130 PolarHBondContact N-OE2 2.72Å
127	H	78.8	Confident	85.2	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.069	32%	0.318	C	S	.	.			trans	-141.3	135.1	-179.4	-170.2	-99.5	0	0	0	112.3	P89 P92 C94 I122 S129 E130	P89-H127 HydrophobicContact CG-CB 3.8Å; P92-H127 VanDerWaalsContact C-CD2 3.43Å; P92-H127 PolarHBondContact O-CD2 2.94Å; P92-H127 PolarHBondContact O-NE2 3.29Å; C94-H127 PolarHBondContact N-NE2 3.43Å; C94-H127 PolarHBondContact O-NE2 3.21Å; I122-H127 HydrophobicContact CD1-CB 4.19Å; I122-H127 HydrophobicContact CG2-CB 3.91Å; H127-S129 PolarHBondContact ND1-N 3.5Å; H127-S129 VanDerWaalsContact ND1-N 3.19Å; H127-S129 PolarHBondContact O-N 3Å; H127-S129 VanDerWaalsContact O-N 3.16Å; H127-E130 HydrophobicContact CB-CB 4.13Å; H127-E130 PolarHBondContact ND1-N 2.88Å; H127-E130 WeakPolarHBondContact O-CB 3.12Å; H127-E130 WeakPolarHBondContact O-CG 3.25Å; H127-E130 PolarHBondContact O-N 3Å; H127-E130 VanDerWaalsContact O-N 3.1Å
128	A	79.5	Confident	85.2	Confident	68 Å²	68	51.4 Å²	51.4	56%	0.562	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.8	-175.9	0	0	0	0	0	113.3	P92	P92-A128 VanDerWaalsContact O-CB 3.29Å; P92-A128 WeakPolarHBondContact O-CB 3.47Å; P92-A128 PolarHBondContact O-N 3.3Å
129	S	83.8	Confident	85.4	Confident	64 Å²	64	53.4 Å²	53.4	45%	0.448	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	26.8	178	-54	0	0	0	0	112.4	H127 E131 A132 V133	H127-S129 PolarHBondContact ND1-N 3.5Å; H127-S129 VanDerWaalsContact ND1-N 3.19Å; H127-S129 PolarHBondContact O-N 3Å; H127-S129 VanDerWaalsContact O-N 3.16Å; S129-E131 VanDerWaalsContact C-N 3.32Å; S129-E131 PolarHBondContact O-N 2.71Å; S129-A132 PolarHBondContact O-N 3.11Å; S129-A132 VanDerWaalsContact O-N 3.15Å; S129-V133 WeakPolarHBondContact O-CG2 3.5Å; S129-V133 PolarHBondContact O-N 2.66Å
130	E	85.4	Confident	85.2	Confident	41 Å²	41	57.3 Å²	57.3	19%	0.192	34%	0.335	C	S	.	.	H	α-helix	trans	-53.2	-44.8	-176.6	64.1	-173.6	-157.6	0	0	113.2	I122 P124 G125 T126 H127 A132 V133 N134	I122-E130 HydrophobicContact CB-CB 4.22Å; I122-E130 HydrophobicContact CG2-CB 4.07Å; P124-E130 WeakPolarHBondContact CA-OE2 3.17Å; G125-E130 VanDerWaalsContact N-CD 3.34Å; G125-E130 PolarHBondContact N-OE1 3.02Å; G125-E130 PolarHBondContact N-OE2 3.48Å; T126-E130 PolarHBondContact N-OE2 2.72Å; H127-E130 HydrophobicContact CB-CB 4.13Å; H127-E130 PolarHBondContact ND1-N 2.88Å; H127-E130 WeakPolarHBondContact O-CB 3.12Å; H127-E130 WeakPolarHBondContact O-CG 3.25Å; H127-E130 PolarHBondContact O-N 3Å; H127-E130 VanDerWaalsContact O-N 3.1Å; E130-A132 VanDerWaalsContact C-N 3.31Å; E130-A132 PolarHBondContact O-N 3.42Å; E130-V133 PolarHBondContact O-N 2.93Å; E130-N134 VanDerWaalsContact O-CB 3.28Å; E130-N134 WeakPolarHBondContact O-CB 3.23Å; E130-N134 PolarHBondContact O-N 3.39Å; E130-N134 PolarHBondContact O-ND2 3.26Å; E130-N134 PolarHBondContact O-OD1 2.77Å
131	E	87.5	Confident	85.3	Confident	161 Å²	161	65 Å²	65	75%	0.752	37%	0.371	S	S	*	.	H	α-helix	trans	-61.6	-40.8	179.7	-66.7	-173	166.6	0	0	112.1	S129 K135	S129-E131 VanDerWaalsContact C-N 3.32Å; S129-E131 PolarHBondContact O-N 2.71Å; E131-K135 VanDerWaalsContact O-CB 3.22Å; E131-K135 WeakPolarHBondContact O-CB 3.31Å; E131-K135 PolarHBondContact O-N 2.9Å
132	A	87.4	Confident	85.2	Confident	51 Å²	51	69.9 Å²	69.9	42%	0.421	39%	0.388	S	S	.	.	H	α-helix	trans	-68.2	-40.3	179.7	0	0	0	0	0	111.5	S129 E130 Q136	S129-A132 PolarHBondContact O-N 3.11Å; S129-A132 VanDerWaalsContact O-N 3.15Å; E130-A132 VanDerWaalsContact C-N 3.31Å; E130-A132 PolarHBondContact O-N 3.42Å; A132-Q136 VanDerWaalsContact O-CG 3.29Å; A132-Q136 WeakPolarHBondContact O-CG 3.24Å; A132-Q136 PolarHBondContact O-N 3.41Å; A132-Q136 VanDerWaalsContact O-N 3.1Å
133	V	86.8	Confident	85.2	Confident	7 Å²	7	70.1 Å²	70.1	4%	0.042	39%	0.39	C	S	.	.	H	α-helix	trans	-69.2	-46.5	176.7	179.3	0	0	0	0	110.4	I122 S129 E130 K135 Q136 L137	I122-V133 HydrophobicContact CD1-CB 3.75Å; I122-V133 HydrophobicContact CD1-CG1 3.66Å; I122-V133 HydrophobicContact CD1-CG2 4.17Å; I122-V133 HydrophobicContact CG1-CG1 4.38Å; S129-V133 WeakPolarHBondContact O-CG2 3.5Å; S129-V133 PolarHBondContact O-N 2.66Å; E130-V133 PolarHBondContact O-N 2.93Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 2.72Å; V133-Q136 WeakPolarHBondContact O-CA 3.41Å; V133-Q136 WeakPolarHBondContact O-CB 3.47Å; V133-Q136 PolarHBondContact O-N 2.75Å; V133-L137 HydrophobicContact CG1-CD1 3.86Å; V133-L137 HydrophobicContact CG1-CG 4.2Å; V133-L137 WeakPolarHBondContact O-CG 3.3Å; V133-L137 PolarHBondContact O-N 2.8Å
134	N	89.6	Confident	85.3	Confident	39 Å²	39	71.5 Å²	71.5	21%	0.209	40%	0.402	C	S	.	.	H	α-helix	trans	-59.5	-41.5	177.9	-68.9	-8.1	0	0	0	111.3	H121 I122 E130 Q136 L137 A138	H121-N134 WeakPolarHBondContact CA-OD1 3.29Å; H121-N134 HydrophobicContact CB-CB 4.45Å; I122-N134 PolarHBondContact N-OD1 2.87Å; E130-N134 VanDerWaalsContact O-CB 3.28Å; E130-N134 WeakPolarHBondContact O-CB 3.23Å; E130-N134 PolarHBondContact O-N 3.39Å; E130-N134 PolarHBondContact O-ND2 3.26Å; E130-N134 PolarHBondContact O-OD1 2.77Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-Q136 PolarHBondContact O-N 2.84Å; N134-L137 PolarHBondContact O-N 2.85Å; N134-A138 VanDerWaalsContact O-CB 3.25Å; N134-A138 WeakPolarHBondContact O-CB 3.44Å; N134-A138 PolarHBondContact O-N 2.86Å
135	K	89.6	Confident	85.5	Confident	162 Å²	162	69.4 Å²	69.4	70%	0.704	39%	0.394	S	S	*	.	H	α-helix	trans	-63.6	-37.4	174.5	-171	174.5	-177.6	177.2	0	112.6	E131 V133 D139	E131-K135 VanDerWaalsContact O-CB 3.22Å; E131-K135 WeakPolarHBondContact O-CB 3.31Å; E131-K135 PolarHBondContact O-N 2.9Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 2.72Å; K135-D139 WeakPolarHBondContact O-CB 3.44Å; K135-D139 PolarHBondContact O-N 3.23Å
136	Q	87.9	Confident	85.6	Confident	66 Å²	66	66.9 Å²	66.9	31%	0.308	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-43.3	174.8	-75.6	174.8	25.2	0	0	112.1	A132 V133 N134 D139	A132-Q136 VanDerWaalsContact O-CG 3.29Å; A132-Q136 WeakPolarHBondContact O-CG 3.24Å; A132-Q136 PolarHBondContact O-N 3.41Å; A132-Q136 VanDerWaalsContact O-N 3.1Å; V133-Q136 WeakPolarHBondContact O-CA 3.41Å; V133-Q136 WeakPolarHBondContact O-CB 3.47Å; V133-Q136 PolarHBondContact O-N 2.75Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-Q136 PolarHBondContact O-N 2.84Å; Q136-D139 PolarHBondContact O-N 3.36Å
137	L	87.9	Confident	85.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-70.8	-32.6	179.9	-64.6	174.9	0	0	0	112.2	F87 G101 L102 K105 V120 V133 N134 D139	F87-L137 HydrophobicContact CE1-CD1 4.02Å; F87-L137 HydrophobicContact CZ-CD1 4.34Å; G101-L137 VanDerWaalsContact C-CD2 3.46Å; L102-L137 HydrophobicContact CD2-CD2 4.09Å; L102-L137 HydrophobicContact CG-CD2 3.92Å; K105-L137 WeakPolarHBondContact CD-O 3.37Å; K105-L137 WeakPolarHBondContact CE-O 3.47Å; K105-L137 PolarHBondContact NZ-O 3.23Å; V120-L137 HydrophobicContact CG1-CD1 4.35Å; V133-L137 HydrophobicContact CG1-CD1 3.86Å; V133-L137 HydrophobicContact CG1-CG 4.2Å; V133-L137 WeakPolarHBondContact O-CG 3.3Å; V133-L137 PolarHBondContact O-N 2.8Å; N134-L137 PolarHBondContact O-N 2.85Å; L137-D139 VanDerWaalsContact C-N 3.32Å
138	A	88.5	Confident	86.2	Confident	57 Å²	57	74.4 Å²	74.4	47%	0.471	40%	0.4	S	S	.	.	H	α-helix	trans	-72.5	-24.7	176.9	0	0	0	0	0	113.2	N134 K140	N134-A138 VanDerWaalsContact O-CB 3.25Å; N134-A138 WeakPolarHBondContact O-CB 3.44Å; N134-A138 PolarHBondContact O-N 2.86Å; A138-K140 PolarHBondContact O-N 3.33Å
139	D	89.9	Confident	86.5	Confident	58 Å²	58	74.6 Å²	74.6	31%	0.31	39%	0.392	S	S	.	.			trans	-79.1	101.1	-178.7	-172	-29.7	0	0	0	111.3	K135 Q136 L137 E141 R142 V143	K135-D139 WeakPolarHBondContact O-CB 3.44Å; K135-D139 PolarHBondContact O-N 3.23Å; Q136-D139 PolarHBondContact O-N 3.36Å; L137-D139 VanDerWaalsContact C-N 3.32Å; D139-E141 VanDerWaalsContact C-N 3.3Å; D139-E141 PolarHBondContact O-N 3.41Å; D139-E141 PolarHBondContact OD1-N 2.92Å; D139-E141 VanDerWaalsContact OD1-N 3.07Å; D139-R142 HydrophobicContact CB-CB 3.99Å; D139-R142 HydrophobicContact CB-CG 4.13Å; D139-R142 VanDerWaalsContact CG-CG 3.41Å; D139-R142 PolarHBondContact O-N 2.82Å; D139-R142 PolarHBondContact OD1-N 3.43Å; D139-R142 WeakPolarHBondContact OD2-CD 3.32Å; D139-R142 VanDerWaalsContact OD2-CG 3.25Å; D139-R142 WeakPolarHBondContact OD2-CG 3.44Å; D139-V143 WeakPolarHBondContact O-CG2 3.21Å; D139-V143 PolarHBondContact O-N 3.06Å
140	K	85.3	Confident	86.5	Confident	153 Å²	153	76 Å²	76	67%	0.665	40%	0.401	S	S	*	.	H	α-helix	trans	-63.1	-34.2	-178	-63.8	-175.7	-179.9	-174.3	0	113	A138 A144	A138-K140 PolarHBondContact O-N 3.33Å; K140-A144 VanDerWaalsContact O-CB 3.26Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 2.78Å
141	E	88.8	Confident	86.3	Confident	163 Å²	163	77.9 Å²	77.9	76%	0.762	42%	0.419	S	S	*	.	H	α-helix	trans	-70.4	-40.6	179.5	-62.1	-170.2	149.6	0	0	110.1	D139 A144 A145	D139-E141 VanDerWaalsContact C-N 3.3Å; D139-E141 PolarHBondContact O-N 3.41Å; D139-E141 PolarHBondContact OD1-N 2.92Å; D139-E141 VanDerWaalsContact OD1-N 3.07Å; E141-A144 PolarHBondContact O-N 3.49Å; E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.27Å; E141-A145 PolarHBondContact O-N 3.3Å
142	R	86.1	Confident	85.8	Confident	138 Å²	138	73.6 Å²	73.6	52%	0.521	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-40	175.3	-68.5	-176	81.9	-173	3.6	112.8	D139 A145 A146	D139-R142 HydrophobicContact CB-CB 3.99Å; D139-R142 HydrophobicContact CB-CG 4.13Å; D139-R142 VanDerWaalsContact CG-CG 3.41Å; D139-R142 PolarHBondContact O-N 2.82Å; D139-R142 PolarHBondContact OD1-N 3.43Å; D139-R142 WeakPolarHBondContact OD2-CD 3.32Å; D139-R142 VanDerWaalsContact OD2-CG 3.25Å; D139-R142 WeakPolarHBondContact OD2-CG 3.44Å; R142-A145 PolarHBondContact O-N 3.18Å; R142-A146 WeakPolarHBondContact O-CB 3.43Å; R142-A146 PolarHBondContact O-N 3.19Å
143	V	85.8	Confident	85.5	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.036	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-45.6	174.6	173.6	0	0	0	0	110.3	L102 K105 D139 A145 A146 L147	L102-V143 HydrophobicContact CD2-CB 4.47Å; L102-V143 HydrophobicContact CD2-CG1 4.22Å; L102-V143 HydrophobicContact CD2-CG2 3.93Å; K105-V143 HydrophobicContact CD-CG2 4.43Å; D139-V143 WeakPolarHBondContact O-CG2 3.21Å; D139-V143 PolarHBondContact O-N 3.06Å; V143-A145 PolarHBondContact O-N 3.4Å; V143-A146 WeakPolarHBondContact O-CB 3.44Å; V143-A146 PolarHBondContact O-N 3.32Å; V143-L147 HydrophobicContact CG1-CD1 4.09Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.44Å; V143-L147 PolarHBondContact O-N 3.17Å; V143-L147 VanDerWaalsContact O-N 3.07Å
144	A	85.3	Confident	85.1	Confident	45 Å²	45	79.5 Å²	79.5	37%	0.372	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-47.4	176.7	0	0	0	0	0	111.8	K140 E141 A146 L147 E148	K140-A144 VanDerWaalsContact O-CB 3.26Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 2.78Å; E141-A144 PolarHBondContact O-N 3.49Å; A144-A146 VanDerWaalsContact C-N 3.28Å; A144-A146 PolarHBondContact O-N 3.43Å; A144-L147 WeakPolarHBondContact O-CA 3.2Å; A144-L147 PolarHBondContact O-N 3.02Å; A144-E148 PolarHBondContact O-N 2.87Å
145	A	86.6	Confident	84.4	Confident	56 Å²	56	80.5 Å²	80.5	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-35.5	176.5	0	0	0	0	0	112.7	E141 R142 V143 L147 E148 N149	E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.27Å; E141-A145 PolarHBondContact O-N 3.3Å; R142-A145 PolarHBondContact O-N 3.18Å; V143-A145 PolarHBondContact O-N 3.4Å; A145-L147 VanDerWaalsContact C-N 3.27Å; A145-L147 PolarHBondContact O-N 2.93Å; A145-E148 PolarHBondContact O-N 3.44Å; A145-N149 PolarHBondContact O-N 2.89Å
146	A	83.3	Confident	83.7	Confident	19 Å²	19	73 Å²	73	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-66.4	-30.6	174	0	0	0	0	0	112.3	R142 V143 A144 L152	R142-A146 WeakPolarHBondContact O-CB 3.43Å; R142-A146 PolarHBondContact O-N 3.19Å; V143-A146 WeakPolarHBondContact O-CB 3.44Å; V143-A146 PolarHBondContact O-N 3.32Å; A144-A146 VanDerWaalsContact C-N 3.28Å; A144-A146 PolarHBondContact O-N 3.43Å; A146-L152 HydrophobicContact CB-CD1 4.13Å; A146-L152 WeakPolarHBondContact O-CB 3.28Å
147	L	80.4	Confident	83	Confident	46 Å²	46	72.6 Å²	72.6	24%	0.241	40%	0.396	C	S	.	.	H	α-helix	trans	-82.6	-24.2	177.6	-63.1	170.3	0	0	0	113.8	V106 V143 A144 A145 L153	V106-L147 HydrophobicContact CB-CD2 4.41Å; V106-L147 HydrophobicContact CG1-CD2 4.29Å; V106-L147 HydrophobicContact CG2-CD1 3.82Å; V106-L147 HydrophobicContact CG2-CD2 3.22Å; V106-L147 HydrophobicContact CG2-CG 4.06Å; V143-L147 HydrophobicContact CG1-CD1 4.09Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.44Å; V143-L147 PolarHBondContact O-N 3.17Å; V143-L147 VanDerWaalsContact O-N 3.07Å; A144-L147 WeakPolarHBondContact O-CA 3.2Å; A144-L147 PolarHBondContact O-N 3.02Å; A145-L147 VanDerWaalsContact C-N 3.27Å; A145-L147 PolarHBondContact O-N 2.93Å; L147-L153 HydrophobicContact CB-CD1 4.35Å; L147-L153 HydrophobicContact CD2-CD1 3.69Å
148	E	84.8	Confident	82.1	Confident	162 Å²	162	78.3 Å²	78.3	76%	0.757	42%	0.422	S	S	*	.	H	α-helix	trans	-73.2	-19.8	169.4	-69.3	-177.6	173.4	0	0	112.3	A144 A145 S150	A144-E148 PolarHBondContact O-N 2.87Å; A145-E148 PolarHBondContact O-N 3.44Å; E148-S150 PolarHBondContact O-N 3.11Å
149	N	85.3	Confident	81	Confident	73 Å²	73	77.1 Å²	77.1	39%	0.39	41%	0.41	S	S	.	.			trans	-78.1	106.2	174.5	-173.1	-32.9	0	0	0	110.5	A145 S151 L152 L153	A145-N149 PolarHBondContact O-N 2.89Å; N149-S151 PolarHBondContact O-N 2.89Å; N149-S151 VanDerWaalsContact O-N 3.12Å; N149-S151 WeakPolarHBondContact OD1-CB 3.18Å; N149-S151 PolarHBondContact OD1-N 2.79Å; N149-L152 HydrophobicContact CB-CB 4.25Å; N149-L152 HydrophobicContact CB-CD1 4.14Å; N149-L152 HydrophobicContact CB-CG 4.3Å; N149-L152 PolarHBondContact O-N 3.07Å; N149-L152 VanDerWaalsContact O-N 3.11Å; N149-L153 WeakPolarHBondContact O-CB 3.18Å; N149-L153 PolarHBondContact O-N 2.98Å
150	S	83.4	Confident	79.8	Confident	93 Å²	93	75.8 Å²	75.8	65%	0.65	40%	0.403	S	S	*	.	H	α-helix	trans	-51	-38.1	-179.2	-46.7	0	0	0	0	113.9	E148 E154	E148-S150 PolarHBondContact O-N 3.11Å; S150-E154 VanDerWaalsContact O-CB 3.28Å; S150-E154 WeakPolarHBondContact O-CB 3.29Å; S150-E154 PolarHBondContact O-N 3.45Å
151	S	81.9	Confident	78.6	Confident	81 Å²	81	71.4 Å²	71.4	57%	0.566	39%	0.391	S	S	*	.	H	α-helix	trans	-69.9	-42.9	-178.8	-51.7	0	0	0	0	112.2	N149 V155	N149-S151 PolarHBondContact O-N 2.89Å; N149-S151 VanDerWaalsContact O-N 3.12Å; N149-S151 WeakPolarHBondContact OD1-CB 3.18Å; N149-S151 PolarHBondContact OD1-N 2.79Å; S151-V155 WeakPolarHBondContact O-CG2 3.22Å; S151-V155 PolarHBondContact O-N 3.49Å
152	L	78.2	Confident	76.7	Confident	70 Å²	70	67.2 Å²	67.2	37%	0.366	38%	0.38	S	S	.	.	H	α-helix	trans	-70.7	-40.5	177.1	-68.9	177.4	0	0	0	110.8	A146 N149 E154 V155 V156	A146-L152 HydrophobicContact CB-CD1 4.13Å; A146-L152 WeakPolarHBondContact O-CB 3.28Å; N149-L152 HydrophobicContact CB-CB 4.25Å; N149-L152 HydrophobicContact CB-CD1 4.14Å; N149-L152 HydrophobicContact CB-CG 4.3Å; N149-L152 PolarHBondContact O-N 3.07Å; N149-L152 VanDerWaalsContact O-N 3.11Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.9Å; L152-V155 PolarHBondContact O-N 3.21Å; L152-V156 WeakPolarHBondContact O-CB 3.4Å; L152-V156 VanDerWaalsContact O-CG2 3.28Å; L152-V156 WeakPolarHBondContact O-CG2 3.31Å; L152-V156 PolarHBondContact O-N 3.32Å
153	L	80.1	Confident	74.6	Confident	45 Å²	45	70.4 Å²	70.4	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-38.8	176.3	-170.9	70.3	0	0	0	111.5	L147 N149 V156 N157	L147-L153 HydrophobicContact CB-CD1 4.35Å; L147-L153 HydrophobicContact CD2-CD1 3.69Å; N149-L153 WeakPolarHBondContact O-CB 3.18Å; N149-L153 PolarHBondContact O-N 2.98Å; L153-V156 PolarHBondContact O-N 2.93Å; L153-N157 WeakPolarHBondContact O-CB 3.28Å; L153-N157 PolarHBondContact O-N 3.32Å; L153-N157 PolarHBondContact O-ND2 3.46Å
154	E	79.3	Confident	72	Confident	138 Å²	138	76.3 Å²	76.3	65%	0.645	43%	0.428	S	S	*	.	H	α-helix	trans	-64.1	-45.9	175.5	-172.8	173.9	-165.9	0	0	111.4	S150 L152 N157 Q158	S150-E154 VanDerWaalsContact O-CB 3.28Å; S150-E154 WeakPolarHBondContact O-CB 3.29Å; S150-E154 PolarHBondContact O-N 3.45Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.9Å; E154-N157 PolarHBondContact O-N 3.45Å; E154-Q158 VanDerWaalsContact O-CB 3.27Å; E154-Q158 WeakPolarHBondContact O-CB 3.46Å; E154-Q158 PolarHBondContact O-N 3.5Å
155	V	73.3	Confident	69.4	Low	59 Å²	59	84.5 Å²	84.5	36%	0.358	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-45.8	175.8	174	0	0	0	0	111	S151 L152 Q158 C159	S151-V155 WeakPolarHBondContact O-CG2 3.22Å; S151-V155 PolarHBondContact O-N 3.49Å; L152-V155 PolarHBondContact O-N 3.21Å; V155-Q158 WeakPolarHBondContact O-CB 3.47Å; V155-Q158 PolarHBondContact O-N 2.9Å; V155-C159 PolarHBondContact O-N 3.14Å; V155-C159 PolarHBondContact O-SG 2.83Å
156	V	74.6	Confident	68.6	Low	5 Å²	5	85.9 Å²	85.9	3%	0.03	46%	0.463	C	S	.	.	H	α-helix	trans	-62.3	-45.9	176.7	169.5	0	0	0	0	110.7	V106 L152 L153 Q158 C159 L160	V106-V156 HydrophobicContact CB-CG1 4.35Å; V106-V156 HydrophobicContact CG1-CG1 4.4Å; V106-V156 HydrophobicContact CG2-CG1 4.29Å; L152-V156 WeakPolarHBondContact O-CB 3.4Å; L152-V156 VanDerWaalsContact O-CG2 3.28Å; L152-V156 WeakPolarHBondContact O-CG2 3.31Å; L152-V156 PolarHBondContact O-N 3.32Å; L153-V156 PolarHBondContact O-N 2.93Å; V156-Q158 VanDerWaalsContact C-N 3.29Å; V156-Q158 PolarHBondContact O-N 2.99Å; V156-C159 WeakPolarHBondContact O-CB 3.48Å; V156-C159 PolarHBondContact O-N 3.08Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.31Å; V156-L160 WeakPolarHBondContact O-CB 3.31Å; V156-L160 WeakPolarHBondContact O-CG 3.39Å; V156-L160 PolarHBondContact O-N 2.93Å
157	N	73.6	Confident	67.8	Low	58 Å²	58	89.4 Å²	89.4	31%	0.31	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-35.3	176.6	-75	-27.1	0	0	0	111.8	R110 L153 E154 L160 S161	R110-N157 PolarHBondContact NH1-OD1 3.07Å; R110-N157 PolarHBondContact NH2-OD1 2.99Å; R110-N157 VanDerWaalsContact NH2-OD1 3.08Å; L153-N157 WeakPolarHBondContact O-CB 3.28Å; L153-N157 PolarHBondContact O-N 3.32Å; L153-N157 PolarHBondContact O-ND2 3.46Å; E154-N157 PolarHBondContact O-N 3.45Å; N157-L160 CarbonylContact O-C 3.57Å; N157-L160 PolarHBondContact O-N 3.38Å; N157-S161 VanDerWaalsContact O-CB 3.23Å; N157-S161 WeakPolarHBondContact O-CB 3.49Å; N157-S161 PolarHBondContact O-N 2.85Å; N157-S161 PolarHBondContact O-OG 3.06Å
158	Q	70.2	Confident	67.1	Low	120 Å²	120	91.8 Å²	91.8	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-40.9	174.6	-173.5	177.4	6.3	0	0	111.2	E154 V155 V156 L160 S161	E154-Q158 VanDerWaalsContact O-CB 3.27Å; E154-Q158 WeakPolarHBondContact O-CB 3.46Å; E154-Q158 PolarHBondContact O-N 3.5Å; V155-Q158 WeakPolarHBondContact O-CB 3.47Å; V155-Q158 PolarHBondContact O-N 2.9Å; V156-Q158 VanDerWaalsContact C-N 3.29Å; V156-Q158 PolarHBondContact O-N 2.99Å; Q158-L160 VanDerWaalsContact C-N 3.31Å; Q158-S161 WeakPolarHBondContact CA-OG 3.26Å; Q158-S161 PolarHBondContact O-N 3.04Å; Q158-S161 PolarHBondContact O-OG 3.25Å
159	C	64.5	Low	66.1	Low	31 Å²	31	87.7 Å²	87.7	21%	0.209	48%	0.477	C	S	.	.	H	α-helix	trans	-64.6	-37.4	172.5	-61.9	0	0	0	0	111.5	L50 V155 V156	L50-C159 HydrophobicContact CD1-CB 3.39Å; L50-C159 WeakPolarHBondContact CD1-O 3.37Å; V155-C159 PolarHBondContact O-N 3.14Å; V155-C159 PolarHBondContact O-SG 2.83Å; V156-C159 WeakPolarHBondContact O-CB 3.48Å; V156-C159 PolarHBondContact O-N 3.08Å
160	L	65.1	Low	64.9	Low	31 Å²	31	88.6 Å²	88.6	16%	0.162	48%	0.482	C	S	.	.	H	α-helix	trans	-78.9	-19	178	-66.6	170.7	0	0	0	113.6	L48 L50 V106 K107 V156 N157 Q158 S162	L48-L160 HydrophobicContact CD1-CD2 3.32Å; L48-L160 HydrophobicContact CD2-CD2 4.27Å; L48-L160 HydrophobicContact CG-CD2 3.93Å; L50-L160 HydrophobicContact CD1-CD2 3.97Å; L50-L160 HydrophobicContact CD1-CG 4.31Å; V106-L160 HydrophobicContact CG1-CD1 4.1Å; K107-L160 HydrophobicContact CB-CD2 4.05Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.31Å; V156-L160 WeakPolarHBondContact O-CB 3.31Å; V156-L160 WeakPolarHBondContact O-CG 3.39Å; V156-L160 PolarHBondContact O-N 2.93Å; N157-L160 CarbonylContact O-C 3.57Å; N157-L160 PolarHBondContact O-N 3.38Å; Q158-L160 VanDerWaalsContact C-N 3.31Å; L160-S162 PolarHBondContact O-N 2.98Å
161	S	60	Low	63.6	Low	60 Å²	60	88.3 Å²	88.3	42%	0.42	47%	0.471	S	S	.	.	S	Bend	trans	-78.9	115.1	-178.5	70.2	0	0	0	0	109.8	N157 Q158 R163	N157-S161 VanDerWaalsContact O-CB 3.23Å; N157-S161 WeakPolarHBondContact O-CB 3.49Å; N157-S161 PolarHBondContact O-N 2.85Å; N157-S161 PolarHBondContact O-OG 3.06Å; Q158-S161 WeakPolarHBondContact CA-OG 3.26Å; Q158-S161 PolarHBondContact O-N 3.04Å; Q158-S161 PolarHBondContact O-OG 3.25Å; S161-R163 PolarHBondContact O-N 3.12Å
162	S	49.2	Very low	62.3	Low	75 Å²	75	88.9 Å²	88.9	52%	0.524	47%	0.465	S	S	.	.			trans	-59	107.9	169	54.2	0	0	0	0	108.8	L160 T164	L160-S162 PolarHBondContact O-N 2.98Å; S162-T164 PolarHBondContact O-N 3.42Å
163	R	41.2	Very low	61.1	Low	206 Å²	206	90.3 Å²	90.3	78%	0.777	47%	0.472	S	S	*	.			trans	-67	96.4	154.5	-90.4	-172.2	-173.8	-160.9	2.1	106.3	S161 I165	S161-R163 PolarHBondContact O-N 3.12Å; R163-I165 VanDerWaalsContact C-N 3.29Å; R163-I165 PolarHBondContact O-N 3.3Å
164	T	31.9	Very low	59.5	Low	129 Å²	129	94.1 Å²	94.1	79%	0.791	49%	0.492	S	S	*	.			trans	-56.8	101.5	155.5	-50.3	0	0	0	0	106.1	S162	S162-T164 PolarHBondContact O-N 3.42Å
165	I	31.3	Very low	57.7	Low	217 Å²	217	90.1 Å²	90.1	100%	1.113	48%	0.478	S	S	*	.			trans	-89.7	0	157.8	-60.5	179.4	0	0	0	106	R163	R163-I165 VanDerWaalsContact C-N 3.29Å; R163-I165 PolarHBondContact O-N 3.3Å

Retrieved 165 of 165 residues in 43.5 ms (Link to these results)

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