Z4YN57_MOUSE Loading...

Phosphoinositide-3-kinase interacting protein 1

AlphaFold DB , UniProt , Accession Z4YN57, Species MOUSE (Mus musculus, Mouse), Gene Pik3ip1, Length 257 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	58.4	Low	64.6	Low	196 Å²	196	125.9 Å²	125.9	97%	0.966	64%	0.641	S	S	*	*				0	-57.5	0	-62.3	-171	84	0	0	112.5	L3 A4 W5	M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.38Å; M1-W5 PolarHBondContact O-N 3.24Å
2	L	56.7	Low	64.8	Low	152 Å²	152	120.3 Å²	120.3	80%	0.796	62%	0.621	S	S	*	*	H	α-helix	trans	-46.4	-48.2	-178.8	-72	165	0	0	0	114.9	A4 W5 V6	L2-A4 VanDerWaalsContact C-N 3.28Å; L2-A4 PolarHBondContact O-N 3.05Å; L2-W5 WeakPolarHBondContact O-CB 3.46Å; L2-W5 PolarHBondContact O-N 3.17Å; L2-W5 VanDerWaalsContact O-N 3.08Å; L2-V6 PolarHBondContact O-N 3.21Å
3	L	56.6	Low	64.4	Low	153 Å²	153	116.8 Å²	116.8	80%	0.801	61%	0.605	S	S	*	*	H	α-helix	trans	-56.1	-36.9	176.9	-81.3	158.5	0	0	0	113.8	M1 V6 H7	M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.33Å; L3-V6 PolarHBondContact O-N 3.13Å; L3-H7 WeakPolarHBondContact O-CB 3.49Å; L3-H7 PolarHBondContact O-N 3.34Å
4	A	62	Low	64.2	Low	59 Å²	59	118.2 Å²	118.2	49%	0.488	61%	0.609	S	S	.	*	H	α-helix	trans	-70.5	-36.4	177.6	0	0	0	0	0	111.8	M1 L2 H7 T8	M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.38Å; L2-A4 VanDerWaalsContact C-N 3.28Å; L2-A4 PolarHBondContact O-N 3.05Å; A4-H7 PolarHBondContact O-N 2.98Å; A4-T8 WeakPolarHBondContact O-CG2 3.49Å; A4-T8 PolarHBondContact O-N 3.41Å; A4-T8 PolarHBondContact O-OG1 3.42Å
5	W	61.2	Low	63.7	Low	192 Å²	192	118.3 Å²	118.3	73%	0.727	61%	0.61	S	S	*	*	H	α-helix	trans	-67.4	-38.6	174.5	-84.1	52.2	0	0	0	112.3	M1 L2 H7 T8 F9	M1-W5 PolarHBondContact O-N 3.24Å; L2-W5 WeakPolarHBondContact O-CB 3.46Å; L2-W5 PolarHBondContact O-N 3.17Å; L2-W5 VanDerWaalsContact O-N 3.08Å; W5-H7 VanDerWaalsContact C-N 3.33Å; W5-T8 PolarHBondContact O-OG1 3.32Å; W5-F9 WeakPolarHBondContact O-CB 3.29Å; W5-F9 PolarHBondContact O-N 3.28Å
6	V	73.4	Confident	63	Low	85 Å²	85	116.8 Å²	116.8	52%	0.515	60%	0.603	S	S	.	*	H	α-helix	trans	-63.2	-42.9	172	175.5	0	0	0	0	110.3	L2 L3 F9 L10	L2-V6 PolarHBondContact O-N 3.21Å; L3-V6 PolarHBondContact O-N 3.13Å; V6-F9 PolarHBondContact O-N 3.02Å; V6-L10 HydrophobicContact CG1-CD1 3.84Å; V6-L10 HydrophobicContact CG1-CG 4.33Å; V6-L10 WeakPolarHBondContact O-CB 3.37Å; V6-L10 VanDerWaalsContact O-CG 3.29Å; V6-L10 WeakPolarHBondContact O-CG 2.73Å; V6-L10 PolarHBondContact O-N 3.44Å
7	H	67.9	Low	62.3	Low	122 Å²	122	113.7 Å²	113.7	57%	0.565	60%	0.599	S	S	*	*	H	α-helix	trans	-67.4	-40.5	-179.5	-144.1	-71.9	0	0	0	113.1	L3 A4 W5 L11	L3-H7 WeakPolarHBondContact O-CB 3.49Å; L3-H7 PolarHBondContact O-N 3.34Å; A4-H7 PolarHBondContact O-N 2.98Å; W5-H7 VanDerWaalsContact C-N 3.33Å; H7-L11 WeakPolarHBondContact ND1-CD1 2.75Å; H7-L11 WeakPolarHBondContact O-CB 3.5Å; H7-L11 VanDerWaalsContact O-CG 3.26Å; H7-L11 WeakPolarHBondContact O-CG 3.42Å; H7-L11 PolarHBondContact O-N 3.1Å
8	T	71.7	Confident	61.4	Low	90 Å²	90	116.5 Å²	116.5	55%	0.552	61%	0.608	S	S	*	*	H	α-helix	trans	-70.3	-35.6	174.4	54.1	0	0	0	0	112.2	A4 W5 S12	A4-T8 WeakPolarHBondContact O-CG2 3.49Å; A4-T8 PolarHBondContact O-N 3.41Å; A4-T8 PolarHBondContact O-OG1 3.42Å; W5-T8 PolarHBondContact O-OG1 3.32Å; T8-S12 WeakPolarHBondContact O-CB 3.47Å; T8-S12 PolarHBondContact O-N 3.11Å
9	F	68.8	Low	60.5	Low	140 Å²	140	113.9 Å²	113.9	61%	0.614	61%	0.606	S	S	*	*	H	α-helix	trans	-66.2	-42.9	175	-165.1	-100.6	0	0	0	111.6	W5 V6 S12 N13	W5-F9 WeakPolarHBondContact O-CB 3.29Å; W5-F9 PolarHBondContact O-N 3.28Å; V6-F9 PolarHBondContact O-N 3.02Å; F9-S12 PolarHBondContact O-N 3.25Å; F9-N13 WeakPolarHBondContact CD1-ND2 3.45Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.48Å; F9-N13 PolarHBondContact O-N 2.91Å; F9-N13 PolarHBondContact O-ND2 2.89Å
10	L	67.3	Low	59.8	Low	102 Å²	102	118.4 Å²	118.4	53%	0.534	62%	0.615	S	S	.	*	H	α-helix	trans	-64.2	-45	175.4	-72.4	171.4	0	0	0	112.2	V6 S12 N13 M14	V6-L10 HydrophobicContact CG1-CD1 3.84Å; V6-L10 HydrophobicContact CG1-CG 4.33Å; V6-L10 WeakPolarHBondContact O-CB 3.37Å; V6-L10 VanDerWaalsContact O-CG 3.29Å; V6-L10 WeakPolarHBondContact O-CG 2.73Å; V6-L10 PolarHBondContact O-N 3.44Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.27Å; L10-N13 PolarHBondContact O-N 3.19Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.02Å
11	L	66.8	Low	59	Low	94 Å²	94	115.8 Å²	115.8	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-63.8	-38.3	176.1	-71.6	169.5	0	0	0	112.2	H7 M14 L15	H7-L11 WeakPolarHBondContact ND1-CD1 2.75Å; H7-L11 WeakPolarHBondContact O-CB 3.5Å; H7-L11 VanDerWaalsContact O-CG 3.26Å; H7-L11 WeakPolarHBondContact O-CG 3.42Å; H7-L11 PolarHBondContact O-N 3.1Å; L11-M14 PolarHBondContact O-N 2.93Å; L11-L15 PolarHBondContact O-N 3.13Å
12	S	67.4	Low	58.7	Low	58 Å²	58	111.2 Å²	111.2	41%	0.406	61%	0.605	S	S	.	*	H	α-helix	trans	-62.5	-44.5	173.7	-176.4	0	0	0	0	112.1	T8 F9 L10 L15 L16	T8-S12 WeakPolarHBondContact O-CB 3.47Å; T8-S12 PolarHBondContact O-N 3.11Å; F9-S12 PolarHBondContact O-N 3.25Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.27Å; S12-L15 PolarHBondContact O-N 3.35Å; S12-L16 PolarHBondContact O-N 3.06Å
13	N	59.6	Low	58.8	Low	76 Å²	76	105.7 Å²	105.7	41%	0.406	58%	0.584	S	S	.	*	H	α-helix	trans	-68.5	-33	177.2	-78.9	-91.7	0	0	0	112.7	F9 L10 L16 A17	F9-N13 WeakPolarHBondContact CD1-ND2 3.45Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.48Å; F9-N13 PolarHBondContact O-N 2.91Å; F9-N13 PolarHBondContact O-ND2 2.89Å; L10-N13 PolarHBondContact O-N 3.19Å; N13-L16 PolarHBondContact O-N 3.43Å; N13-A17 WeakPolarHBondContact O-CB 3.42Å; N13-A17 PolarHBondContact O-N 3.3Å
14	M	60.5	Low	59.4	Low	136 Å²	136	99.2 Å²	99.2	67%	0.67	56%	0.555	S	S	*	*	H	α-helix	trans	-65.9	-46.3	172.2	-73.6	-64.3	-161.4	0	0	111.9	L10 L11 L16 A17 E18	L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.02Å; L11-M14 PolarHBondContact O-N 2.93Å; M14-L16 VanDerWaalsContact C-N 3.27Å; M14-L16 PolarHBondContact O-N 3.16Å; M14-A17 WeakPolarHBondContact O-CB 3.26Å; M14-A17 PolarHBondContact O-N 3.06Å; M14-A17 VanDerWaalsContact O-N 3.09Å; M14-E18 PolarHBondContact O-N 3.39Å
15	L	57	Low	60.1	Low	119 Å²	119	99.3 Å²	99.3	62%	0.623	55%	0.551	S	S	*	*	H	α-helix	trans	-61.1	-35.1	174.6	-83.9	159	0	0	0	112.4	L11 S12 A19	L11-L15 PolarHBondContact O-N 3.13Å; S12-L15 PolarHBondContact O-N 3.35Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.07Å; L15-A19 VanDerWaalsContact O-N 3.16Å
16	L	52.4	Low	60.9	Low	94 Å²	94	90.9 Å²	90.9	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-68.7	-40.2	171.3	-102.9	66.2	0	0	0	112.4	S12 N13 M14 E18 A19 Y20	S12-L16 PolarHBondContact O-N 3.06Å; N13-L16 PolarHBondContact O-N 3.43Å; M14-L16 VanDerWaalsContact C-N 3.27Å; M14-L16 PolarHBondContact O-N 3.16Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 3.4Å; L16-A19 PolarHBondContact O-N 3.4Å; L16-Y20 WeakPolarHBondContact O-CB 3.48Å; L16-Y20 WeakPolarHBondContact O-CD2 3.29Å; L16-Y20 PolarHBondContact O-N 3.47Å
17	A	51.2	Low	61.2	Low	65 Å²	65	95.2 Å²	95.2	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-38.7	178.7	0	0	0	0	0	112.1	N13 M14 Y20 G21	N13-A17 WeakPolarHBondContact O-CB 3.42Å; N13-A17 PolarHBondContact O-N 3.3Å; M14-A17 WeakPolarHBondContact O-CB 3.26Å; M14-A17 PolarHBondContact O-N 3.06Å; M14-A17 VanDerWaalsContact O-N 3.09Å; A17-Y20 PolarHBondContact O-N 3.04Å; A17-G21 PolarHBondContact O-N 3.03Å
18	E	46	Very low	61.9	Low	164 Å²	164	93.8 Å²	93.8	77%	0.766	52%	0.524	S	S	*	.	H	α-helix	trans	-70.2	-35.7	176.3	-148.3	164.5	-174.1	0	0	111.5	M14 L16 G21	M14-E18 PolarHBondContact O-N 3.39Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 3.4Å; E18-G21 PolarHBondContact O-N 3.21Å
19	A	45.7	Very low	62.3	Low	68 Å²	68	92.3 Å²	92.3	56%	0.562	51%	0.512	S	S	*	.	H	α-helix	trans	-70.7	-30.6	172	0	0	0	0	0	113.8	L15 L16 G21 S22	L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.07Å; L15-A19 VanDerWaalsContact O-N 3.16Å; L16-A19 PolarHBondContact O-N 3.4Å; A19-G21 PolarHBondContact O-N 2.91Å; A19-S22 WeakPolarHBondContact O-CB 3.43Å; A19-S22 PolarHBondContact O-N 3.05Å; A19-S22 VanDerWaalsContact O-N 3.16Å
20	Y	45.4	Very low	62.8	Low	202 Å²	202	85.7 Å²	85.7	79%	0.792	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	3.5	171.1	-93.9	-88.4	0	0	0	113.5	L16 A17 S22	L16-Y20 WeakPolarHBondContact O-CB 3.48Å; L16-Y20 WeakPolarHBondContact O-CD2 3.29Å; L16-Y20 PolarHBondContact O-N 3.47Å; A17-Y20 PolarHBondContact O-N 3.04Å; Y20-S22 PolarHBondContact O-N 3.35Å
21	G	44.1	Very low	63.1	Low	64 Å²	64	84.7 Å²	84.7	66%	0.66	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.8	158.8	0	0	0	0	0	114.2	A17 E18 A19 G23	A17-G21 PolarHBondContact O-N 3.03Å; E18-G21 PolarHBondContact O-N 3.21Å; A19-G21 PolarHBondContact O-N 2.91Å; G21-G23 PolarHBondContact O-N 3.41Å
22	S	51.2	Low	63.4	Low	100 Å²	100	85.9 Å²	85.9	70%	0.699	48%	0.482	S	S	*	.			trans	-65	93.4	172.5	-179.5	0	0	0	0	111.3	A19 Y20	A19-S22 WeakPolarHBondContact O-CB 3.43Å; A19-S22 PolarHBondContact O-N 3.05Å; A19-S22 VanDerWaalsContact O-N 3.16Å; Y20-S22 PolarHBondContact O-N 3.35Å
23	G	59.2	Low	63.7	Low	36 Å²	36	83.9 Å²	83.9	37%	0.371	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-52.4	141.3	168.4	0	0	0	0	0	111.5	G21 C25	G21-G23 PolarHBondContact O-N 3.41Å; G23-C25 PolarHBondContact O-N 2.93Å
24	G	68.3	Low	64.3	Low	18 Å²	18	88.8 Å²	88.8	19%	0.186	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-55.8	136.7	177.5	0	0	0	0	0	111	Y33	G24-Y33 WeakPolarHBondContact O-CE2 3.4Å; G24-Y33 PolarHBondContact O-OH 3Å
25	C	77.5	Confident	65.2	Low	60 Å²	60	86.9 Å²	86.9	41%	0.405	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-87.9	161.3	-179.4	72.6	0	0	0	0	111.8	G23 V99 C101	G23-C25 PolarHBondContact O-N 2.93Å; C25-V99 CarbonylContact C-O 3.58Å; C25-V99 WeakPolarHBondContact CA-O 3.21Å; C25-V99 HydrophobicContact CB-CB 4.38Å; C25-V99 HydrophobicContact CB-CG1 3.67Å; C25-V99 WeakPolarHBondContact CB-O 3.1Å; C25-C101 HydrophobicContact CB-CB 3.89Å; C25-C101 WeakPolarHBondContact CB-SG 3.49Å; C25-C101 VanDerWaalsContact SG-CA 3.6Å; C25-C101 WeakPolarHBondContact SG-CB 3.48Å; C25-C101 CovalentContact SG-SG 2.03Å; C25-C101 PolarHBondContact SG-SG 3.5Å
26	F	78.3	Confident	66.2	Low	15 Å²	15	85.1 Å²	85.1	7%	0.066	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-118.3	152.3	177.8	68.1	-93	0	0	0	114.1	D28 Y33 P80 D98 V99 C101	F26-D28 WeakPolarHBondContact CD2-O 3.48Å; F26-D28 WeakPolarHBondContact CE2-O 3.35Å; F26-Y33 HydrophobicContact CB-CD2 3.59Å; F26-Y33 HydrophobicContact CB-CE2 4.1Å; F26-Y33 HydrophobicContact CB-CG 4.17Å; F26-P80 HydrophobicContact CB-CG 4.47Å; F26-P80 HydrophobicContact CD1-CG 3.85Å; F26-P80 HydrophobicContact CD2-CG 4.43Å; F26-P80 VanDerWaalsContact CE1-CD 3.48Å; F26-P80 HydrophobicContact CE1-CG 4.13Å; F26-P80 HydrophobicContact CG-CG 4.01Å; F26-P80 VanDerWaalsContact CZ-CD 3.49Å; F26-D98 WeakPolarHBondContact CE1-OD1 3.41Å; F26-D98 WeakPolarHBondContact CZ-OD1 3.43Å; F26-V99 WeakPolarHBondContact CD1-O 3.41Å; F26-V99 PolarHBondContact N-O 3.34Å; F26-C101 PolarHBondContact N-SG 2.99Å; F26-C101 VanDerWaalsContact N-SG 3.43Å; F26-C101 PolarHBondContact O-N 3.27Å; F26-C101 PolarHBondContact O-SG 3.14Å
27	W	79.6	Confident	67.3	Low	177 Å²	177	82.2 Å²	82.2	67%	0.67	44%	0.443	S	S	*	.			trans	-103.5	151.4	171.9	-63.1	-42.6	0	0	0	111.3	G30 C101	W27-G30 WeakPolarHBondContact O-CA 3.48Å; W27-G30 PolarHBondContact O-N 2.94Å; W27-C101 VanDerWaalsContact CD1-CB 3.49Å; W27-C101 VanDerWaalsContact CD1-SG 3.58Å; W27-C101 PolarHBondContact NE1-SG 2.85Å; W27-C101 VanDerWaalsContact NE1-SG 3.42Å
28	D	81.8	Confident	68.3	Low	92 Å²	92	81.3 Å²	81.3	49%	0.492	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-137.3	-175.8	-52.1	-51.8	0	0	0	110.6	F26 G30 T104	F26-D28 WeakPolarHBondContact CD2-O 3.48Å; F26-D28 WeakPolarHBondContact CE2-O 3.35Å; D28-G30 PolarHBondContact O-N 3Å; D28-T104 VanDerWaalsContact OD1-CG2 3.29Å; D28-T104 WeakPolarHBondContact OD1-CG2 3.1Å
29	N	81.2	Confident	69.7	Low	58 Å²	58	75.7 Å²	75.7	31%	0.31	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	2.8	175.6	-59.3	5.7	0	0	0	112.8	H31 N72 Q75 G79	N29-H31 VanDerWaalsContact C-N 3.33Å; N29-H31 PolarHBondContact O-N 3.35Å; N29-N72 PolarHBondContact O-ND2 3.05Å; N29-Q75 PolarHBondContact ND2-O 3.19Å; N29-G79 WeakPolarHBondContact O-CA 3.02Å
30	G	78.8	Confident	71.2	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.01	39%	0.385	C	S	.	.			trans	70.3	24.5	-178.5	0	0	0	0	0	114.7	W27 D28 L32 Y33	W27-G30 WeakPolarHBondContact O-CA 3.48Å; W27-G30 PolarHBondContact O-N 2.94Å; D28-G30 PolarHBondContact O-N 3Å; G30-L32 PolarHBondContact O-N 3.36Å; G30-Y33 WeakPolarHBondContact O-CB 3.37Å; G30-Y33 PolarHBondContact O-N 2.96Å
31	H	73.9	Confident	72.7	Confident	81 Å²	81	64.8 Å²	64.8	38%	0.375	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25	175.4	68.6	-77.9	0	0	0	113.3	N29 Q75	N29-H31 VanDerWaalsContact C-N 3.33Å; N29-H31 PolarHBondContact O-N 3.35Å; H31-Q75 HydrophobicContact CB-CG 4.07Å
32	L	71.6	Confident	74.2	Confident	120 Å²	120	67.5 Å²	67.5	63%	0.628	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	10.3	171	-62.7	178.1	0	0	0	113.7	G30 R34	G30-L32 PolarHBondContact O-N 3.36Å; L32-R34 PolarHBondContact O-N 3.01Å
33	Y	74.1	Confident	75.6	Confident	16 Å²	16	67 Å²	67	6%	0.063	38%	0.379	C	S	.	.			trans	-68.8	124.8	-179.4	-167.5	-120.3	0	0	0	111.5	G24 F26 G30 E35 Q37 C70 R71 P80	G24-Y33 WeakPolarHBondContact O-CE2 3.4Å; G24-Y33 PolarHBondContact O-OH 3Å; F26-Y33 HydrophobicContact CB-CD2 3.59Å; F26-Y33 HydrophobicContact CB-CE2 4.1Å; F26-Y33 HydrophobicContact CB-CG 4.17Å; G30-Y33 WeakPolarHBondContact O-CB 3.37Å; G30-Y33 PolarHBondContact O-N 2.96Å; Y33-E35 HydrophobicContact CD2-CB 4.39Å; Y33-E35 HydrophobicContact CE1-CB 4.05Å; Y33-E35 HydrophobicContact CE2-CB 3.66Å; Y33-E35 VanDerWaalsContact CZ-CB 3.49Å; Y33-Q37 PolarHBondContact OH-OE1 3.01Å; Y33-C70 HydrophobicContact CE1-CB 4.31Å; Y33-R71 WeakPolarHBondContact O-CD 3.48Å; Y33-P80 HydrophobicContact CD1-CB 3.76Å; Y33-P80 HydrophobicContact CD1-CG 3.61Å; Y33-P80 HydrophobicContact CE1-CB 4.28Å; Y33-P80 HydrophobicContact CE1-CG 4.27Å; Y33-P80 HydrophobicContact CG-CB 4.41Å; Y33-P80 HydrophobicContact CG-CG 3.78Å
34	R	73.6	Confident	76.7	Confident	179 Å²	179	68.4 Å²	68.4	68%	0.675	38%	0.377	S	S	*	.			trans	-130.3	4.7	-178	-58.9	-166.5	-169.7	-68.3	-5.6	114.3	L32 R71	L32-R34 PolarHBondContact O-N 3.01Å; R34-R71 VanDerWaalsContact C-NH1 3.29Å; R34-R71 PolarHBondContact O-NH1 2.94Å; R34-R71 PolarHBondContact O-NH2 3.45Å
35	E	77.8	Confident	77.6	Confident	96 Å²	96	76 Å²	76	45%	0.449	40%	0.4	S	S	.	.			trans	-64.6	142.8	178.1	-166.3	59.6	-102	0	0	110.9	Y33 Q37 R71	Y33-E35 HydrophobicContact CD2-CB 4.39Å; Y33-E35 HydrophobicContact CE1-CB 4.05Å; Y33-E35 HydrophobicContact CE2-CB 3.66Å; Y33-E35 VanDerWaalsContact CZ-CB 3.49Å; E35-Q37 PolarHBondContact O-N 3.32Å; E35-R71 PolarHBondContact O-NH1 3.4Å
36	D	79.2	Confident	78.2	Confident	81 Å²	81	73.4 Å²	73.4	43%	0.433	38%	0.383	S	S	.	.			trans	-87.2	49.4	-171	-78.8	-7.4	0	0	0	112.8	P38 Y69 R71	D36-P38 VanDerWaalsContact O-CD 3.27Å; D36-P38 WeakPolarHBondContact O-CD 3.43Å; D36-Y69 VanDerWaalsContact C-CD1 3.43Å; D36-Y69 HydrophobicContact CB-CD1 3.76Å; D36-Y69 HydrophobicContact CB-CD2 4.01Å; D36-Y69 HydrophobicContact CB-CE1 3.65Å; D36-Y69 HydrophobicContact CB-CE2 3.92Å; D36-Y69 HydrophobicContact CB-CG 3.93Å; D36-Y69 VanDerWaalsContact CG-CD2 3.43Å; D36-Y69 VanDerWaalsContact O-CD1 3.31Å; D36-Y69 WeakPolarHBondContact O-CD1 3.26Å; D36-Y69 WeakPolarHBondContact OD1-CD2 3.42Å; D36-Y69 WeakPolarHBondContact OD1-CE2 3.37Å; D36-Y69 WeakPolarHBondContact OD2-CE2 3.5Å; D36-R71 IonicContact OD1-CZ 2.73Å; D36-R71 IonicContact OD1-NH2 2.71Å; D36-R71 PolarHBondContact OD1-NH2 2.84Å
37	Q	75.7	Confident	78.7	Confident	33 Å²	33	75.5 Å²	75.5	15%	0.154	39%	0.394	C	S	.	.			trans	-72.3	114.2	173.7	-179.9	176	-12.5	0	0	110.9	Y33 E35 S39 Y69 C70	Y33-Q37 PolarHBondContact OH-OE1 3.01Å; E35-Q37 PolarHBondContact O-N 3.32Å; Q37-S39 WeakPolarHBondContact CG-O 3.38Å; Q37-S39 PolarHBondContact NE2-O 3.38Å; Q37-Y69 CarbonylContact O-C 3.45Å; Q37-Y69 VanDerWaalsContact O-CA 3.23Å; Q37-Y69 WeakPolarHBondContact O-CA 3.43Å; Q37-C70 HydrophobicContact CB-CB 4.49Å; Q37-C70 PolarHBondContact O-N 3.4Å; Q37-C70 PolarHBondContact O-SG 3.44Å
38	P	71.9	Confident	79.2	Confident	47 Å²	47	69.1 Å²	69.1	31%	0.305	37%	0.373	S	S	.	.			trans	-100.7	3.2	-173.2	39.9	-34.8	0	0	0	114.1	D36 C46 Y69	D36-P38 VanDerWaalsContact O-CD 3.27Å; D36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-C46 WeakPolarHBondContact O-CB 3.36Å; P38-C46 PolarHBondContact O-N 3.33Å; P38-Y69 HydrophobicContact CB-CD1 4.13Å; P38-Y69 HydrophobicContact CB-CE1 4.35Å
39	S	75.4	Confident	79.4	Confident	45 Å²	45	64.8 Å²	64.8	32%	0.315	35%	0.35	S	S	.	.			trans	-135.6	128.7	-172.6	-75.2	0	0	0	0	109.9	Q37 L44	Q37-S39 WeakPolarHBondContact CG-O 3.38Å; Q37-S39 PolarHBondContact NE2-O 3.38Å; S39-L44 VanDerWaalsContact CB-O 3.23Å; S39-L44 WeakPolarHBondContact CB-O 3.35Å; S39-L44 PolarHBondContact OG-O 3.2Å
40	P	77.5	Confident	79.5	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.032	35%	0.354	C	S	.	.	S	Bend	trans	-80.7	-27.1	179.9	31.5	-31.1	0	0	0	112.4	L44 I84 P95 C96 E97	P40-L44 HydrophobicContact CG-CB 3.86Å; P40-L44 HydrophobicContact CG-CD1 4.46Å; P40-I84 HydrophobicContact CG-CG2 3.87Å; P40-P95 WeakPolarHBondContact CB-O 3.23Å; P40-C96 HydrophobicContact CB-CB 4.37Å; P40-C96 CarbonylContact O-C 3.54Å; P40-E97 PolarHBondContact O-N 2.99Å
41	A	76.5	Confident	79.6	Confident	37 Å²	37	69.4 Å²	69.4	31%	0.306	39%	0.385	S	S	.	.	S	Bend	trans	-156.8	163.9	177.7	0	0	0	0	0	109.3	G43 L44	A41-G43 PolarHBondContact O-N 2.93Å; A41-L44 HydrophobicContact CB-CD1 4.43Å; A41-L44 PolarHBondContact O-N 3.26Å; A41-L44 VanDerWaalsContact O-N 3.12Å
42	P	76.1	Confident	80	Confident	121 Å²	121	66.2 Å²	66.2	79%	0.786	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	132.1	176.4	-27	35.8	0	0	0	112.9	L44	P42-L44 PolarHBondContact O-N 3.47Å
43	G	79.4	Confident	80	Confident	89 Å²	89	63.2 Å²	63.2	92%	0.918	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-13.4	-179.1	0	0	0	0	0	115.7	A41	A41-G43 PolarHBondContact O-N 2.93Å
44	L	82.3	Confident	79.6	Confident	65 Å²	65	64.5 Å²	64.5	34%	0.34	37%	0.374	S	S	.	.			trans	-96.5	149.6	171.5	-67.8	176.5	0	0	0	111.2	S39 P40 A41 P42 I84	S39-L44 VanDerWaalsContact CB-O 3.23Å; S39-L44 WeakPolarHBondContact CB-O 3.35Å; S39-L44 PolarHBondContact OG-O 3.2Å; P40-L44 HydrophobicContact CG-CB 3.86Å; P40-L44 HydrophobicContact CG-CD1 4.46Å; A41-L44 HydrophobicContact CB-CD1 4.43Å; A41-L44 PolarHBondContact O-N 3.26Å; A41-L44 VanDerWaalsContact O-N 3.12Å; P42-L44 PolarHBondContact O-N 3.47Å; L44-I84 HydrophobicContact CD1-CD1 4.3Å; L44-I84 HydrophobicContact CD2-CD1 4.4Å
45	R	87.7	Confident	78.6	Confident	178 Å²	178	62.2 Å²	62.2	67%	0.672	39%	0.385	S	S	*	.			trans	-130.1	134.3	176	-170.4	179.5	-177.4	122.6	4.3	110
46	C	89.3	Confident	77.3	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.034	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-67.6	138.2	174.4	-64.2	0	0	0	0	111.4	P38 N68 C82 Y83	P38-C46 WeakPolarHBondContact O-CB 3.36Å; P38-C46 PolarHBondContact O-N 3.33Å; C46-N68 HydrophobicContact CB-CB 4.38Å; C46-N68 WeakPolarHBondContact CB-O 3.42Å; C46-N68 WeakPolarHBondContact O-CB 3.49Å; C46-N68 PolarHBondContact O-ND2 3.08Å; C46-C82 VanDerWaalsContact CA-SG 3.56Å; C46-C82 HydrophobicContact CB-CB 3.58Å; C46-C82 WeakPolarHBondContact CB-SG 3.49Å; C46-C82 WeakPolarHBondContact SG-CB 3.34Å; C46-C82 CovalentContact SG-SG 2.03Å; C46-C82 PolarHBondContact SG-SG 2.85Å; C46-Y83 CarbonylContact C-O 3.56Å; C46-Y83 WeakPolarHBondContact CA-O 3.02Å
47	L	89.9	Confident	76	Confident	59 Å²	59	71.4 Å²	71.4	31%	0.309	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-72.5	160.5	166.4	-64.1	177.8	0	0	0	111	A52 N68 Y83 P91	L47-A52 HydrophobicContact CB-CB 4.22Å; L47-A52 HydrophobicContact CD1-CB 4.44Å; L47-N68 WeakPolarHBondContact O-CB 3.18Å; L47-Y83 PolarHBondContact N-O 3.45Å; L47-P91 HydrophobicContact CD1-CB 4.15Å; L47-P91 HydrophobicContact CD1-CG 4.44Å
48	N	89.1	Confident	74.8	Confident	44 Å²	44	73.7 Å²	73.7	24%	0.235	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-69.4	135	172.1	175.5	-68.1	0	0	0	110.7	L50 A51 A52 N66 H67	N48-L50 PolarHBondContact O-N 3.29Å; N48-L50 PolarHBondContact OD1-N 3.39Å; N48-A51 HydrophobicContact CB-CB 4.04Å; N48-A51 PolarHBondContact O-N 3.36Å; N48-A51 PolarHBondContact OD1-N 2.95Å; N48-A52 WeakPolarHBondContact O-CB 3.5Å; N48-A52 PolarHBondContact O-N 2.92Å; N48-N66 PolarHBondContact ND2-OD1 3.12Å; N48-H67 WeakPolarHBondContact CA-O 3.39Å
49	W	86.8	Confident	73.7	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	46%	0.46	C	S	.	.	H	α-helix	trans	-60.4	-39.3	-175	-73	101.7	0	0	0	114.6	Q53 P64 H67 Y69 R71 W81 C82 Y83	W49-Q53 WeakPolarHBondContact O-CG 3.43Å; W49-Q53 PolarHBondContact O-N 3.2Å; W49-Q53 PolarHBondContact O-NE2 3.24Å; W49-P64 HydrophobicContact CB-CB 4.5Å; W49-P64 HydrophobicContact CB-CG 3.91Å; W49-P64 HydrophobicContact CD2-CB 3.85Å; W49-P64 HydrophobicContact CD2-CG 3.46Å; W49-P64 VanDerWaalsContact CD2-CG 3.46Å; W49-P64 HydrophobicContact CE3-CB 4.31Å; W49-P64 HydrophobicContact CE3-CG 3.51Å; W49-P64 HydrophobicContact CG-CB 3.91Å; W49-P64 HydrophobicContact CG-CG 3.63Å; W49-P64 HydrophobicContact CZ3-CG 4.16Å; W49-H67 AromaticContact CD1-CE1 3.76Å; W49-H67 AromaticContact CD1-ND1 3.41Å; W49-H67 PolarHBondContact N-O 3.4Å; W49-H67 AromaticContact NE1-CE1 3.75Å; W49-H67 AromaticContact NE1-ND1 3.71Å; W49-Y69 PolarHBondContact NE1-O 3.02Å; W49-R71 HydrophobicContact CZ2-CB 3.87Å; W49-R71 HydrophobicContact CZ2-CG 4.33Å; W49-W81 AromaticContact CH2-CD2 3.79Å; W49-W81 HydrophobicContact CH2-CD2 3.79Å; W49-W81 AromaticContact CH2-CE2 3.98Å; W49-W81 AromaticContact CH2-CE3 3.61Å; W49-W81 HydrophobicContact CH2-CE3 3.61Å; W49-W81 AromaticContact CH2-CH2 3.98Å; W49-W81 HydrophobicContact CH2-CH2 3.98Å; W49-W81 HydrophobicContact CH2-CZ2 4.1Å; W49-W81 AromaticContact CH2-CZ3 3.72Å; W49-W81 HydrophobicContact CH2-CZ3 3.72Å; W49-W81 WeakPolarHBondContact CH2-O 2.94Å; W49-W81 WeakPolarHBondContact CZ2-O 3.31Å; W49-W81 HydrophobicContact CZ3-CD2 4.32Å; W49-W81 AromaticContact CZ3-CE3 3.87Å; W49-W81 HydrophobicContact CZ3-CE3 3.87Å; W49-W81 AromaticContact CZ3-CH2 3.5Å; W49-W81 HydrophobicContact CZ3-CH2 3.5Å; W49-W81 VanDerWaalsContact CZ3-CH2 3.5Å; W49-W81 AromaticContact CZ3-CZ2 3.93Å; W49-W81 HydrophobicContact CZ3-CZ2 3.93Å; W49-W81 AromaticContact CZ3-CZ3 3.44Å; W49-W81 HydrophobicContact CZ3-CZ3 3.44Å; W49-W81 VanDerWaalsContact CZ3-CZ3 3.44Å; W49-C82 HydrophobicContact CZ2-CB 4.34Å; W49-Y83 AromaticContact CE3-CD2 3.87Å; W49-Y83 HydrophobicContact CE3-CD2 3.87Å; W49-Y83 AromaticContact CE3-CE2 3.76Å; W49-Y83 HydrophobicContact CE3-CE2 3.76Å; W49-Y83 AromaticContact CZ3-CD2 3.99Å; W49-Y83 HydrophobicContact CZ3-CD2 3.99Å; W49-Y83 AromaticContact CZ3-CE2 3.76Å; W49-Y83 HydrophobicContact CZ3-CE2 3.76Å
50	L	83.3	Confident	72.5	Confident	77 Å²	77	82.4 Å²	82.4	40%	0.403	48%	0.48	S	S	.	.	H	α-helix	trans	-73.6	-37.1	179.4	-57.2	-179.5	0	0	0	110.9	N48 G54 N66	N48-L50 PolarHBondContact O-N 3.29Å; N48-L50 PolarHBondContact OD1-N 3.39Å; L50-G54 PolarHBondContact O-N 2.93Å; L50-N66 HydrophobicContact CD1-CB 3.67Å
51	A	81.8	Confident	71.4	Confident	79 Å²	79	86.1 Å²	86.1	65%	0.653	50%	0.497	S	S	*	.	H	α-helix	trans	-67.5	-37.5	175.4	0	0	0	0	0	112.5	N48	N48-A51 HydrophobicContact CB-CB 4.04Å; N48-A51 PolarHBondContact O-N 3.36Å; N48-A51 PolarHBondContact OD1-N 2.95Å
52	A	81.3	Confident	70.6	Confident	14 Å²	14	89.2 Å²	89.2	12%	0.116	51%	0.514	C	S	.	.	H	α-helix	trans	-79.8	-33.5	-175.7	0	0	0	0	0	114.3	L47 N48 Y83 P91	L47-A52 HydrophobicContact CB-CB 4.22Å; L47-A52 HydrophobicContact CD1-CB 4.44Å; N48-A52 WeakPolarHBondContact O-CB 3.5Å; N48-A52 PolarHBondContact O-N 2.92Å; A52-Y83 HydrophobicContact CB-CD1 4.27Å; A52-Y83 HydrophobicContact CB-CD2 3.53Å; A52-Y83 HydrophobicContact CB-CE2 4.25Å; A52-Y83 HydrophobicContact CB-CG 3.53Å; A52-P91 HydrophobicContact CB-CB 4.02Å; A52-P91 HydrophobicContact CB-CG 4.3Å
53	Q	72.5	Confident	69.9	Low	58 Å²	58	87.2 Å²	87.2	27%	0.271	50%	0.503	S	S	.	.	H	α-helix	trans	-83	-15.6	176	-68.7	168.7	102.4	0	0	112.9	W49 Y83	W49-Q53 WeakPolarHBondContact O-CG 3.43Å; W49-Q53 PolarHBondContact O-N 3.2Å; W49-Q53 PolarHBondContact O-NE2 3.24Å; Q53-Y83 HydrophobicContact CG-CE2 3.72Å
54	G	63.8	Low	69.4	Low	43 Å²	43	83.8 Å²	83.8	44%	0.443	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	-164.6	-165	0	0	0	0	0	112.1	L50 R56	L50-G54 PolarHBondContact O-N 2.93Å; G54-R56 PolarHBondContact O-N 3.37Å
55	S	53.6	Low	69.2	Low	131 Å²	131	82 Å²	82	92%	0.916	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	26.6	178	-167.2	0	0	0	0	113.7	E57	S55-E57 PolarHBondContact O-N 3.01Å
56	R	51.4	Low	69	Low	214 Å²	214	79.7 Å²	79.7	81%	0.808	46%	0.463	S	S	*	.			trans	-95.7	81	-178.2	-168.9	174.3	-179.4	119.4	-0.3	109.8	G54 S58	G54-R56 PolarHBondContact O-N 3.37Å; R56-S58 PolarHBondContact O-N 2.78Å; R56-S58 VanDerWaalsContact O-N 3.13Å
57	E	51.4	Low	68.8	Low	156 Å²	156	81.6 Å²	81.6	73%	0.729	47%	0.471	S	S	*	.			trans	-56.5	115.5	172.3	-61.9	-174.7	141.2	0	0	110.2	S55 L59	S55-E57 PolarHBondContact O-N 3.01Å; E57-L59 HydrophobicContact CB-CD2 4.28Å; E57-L59 HydrophobicContact CB-CG 4.47Å; E57-L59 PolarHBondContact O-N 3.05Å; E57-L59 VanDerWaalsContact O-N 3.16Å
58	S	49	Very low	68.8	Low	80 Å²	80	80.2 Å²	80.2	56%	0.559	46%	0.464	S	S	*	.			trans	-79.5	93.2	168.8	-166.9	0	0	0	0	107.9	R56 T60 E61	R56-S58 PolarHBondContact O-N 2.78Å; R56-S58 VanDerWaalsContact O-N 3.13Å; S58-T60 PolarHBondContact O-N 2.95Å; S58-E61 PolarHBondContact O-N 2.81Å
59	L	49.5	Very low	68.7	Low	157 Å²	157	81.4 Å²	81.4	82%	0.822	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	28.5	-169.3	-68.5	166.7	0	0	0	115.7	E57	E57-L59 HydrophobicContact CB-CD2 4.28Å; E57-L59 HydrophobicContact CB-CG 4.47Å; E57-L59 PolarHBondContact O-N 3.05Å; E57-L59 VanDerWaalsContact O-N 3.16Å
60	T	49.8	Very low	68.6	Low	118 Å²	118	81.4 Å²	81.4	72%	0.724	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-30.6	-174.6	-49.8	0	0	0	0	113	S58	S58-T60 PolarHBondContact O-N 2.95Å
61	E	55.1	Low	68.9	Low	83 Å²	83	78.8 Å²	78.8	39%	0.388	45%	0.45	S	S	.	.	S	Bend	trans	-122.3	149.3	-174.8	-67.9	-60	155.3	0	0	111.6	S58 S63 P73	S58-E61 PolarHBondContact O-N 2.81Å; E61-S63 PolarHBondContact O-N 2.88Å; E61-S63 VanDerWaalsContact O-N 3.11Å; E61-P73 WeakPolarHBondContact CG-O 3.33Å
62	P	59	Low	69.2	Low	102 Å²	102	75.3 Å²	75.3	66%	0.662	42%	0.42	S	S	*	.			trans	-64.2	115.9	178.3	27.1	-33	0	0	0	109.8
63	S	63	Low	69.3	Low	79 Å²	79	75.9 Å²	75.9	55%	0.552	42%	0.423	S	S	*	.			trans	-50.1	128.9	-177.6	177.6	0	0	0	0	111.3	E61 G65	E61-S63 PolarHBondContact O-N 2.88Å; E61-S63 VanDerWaalsContact O-N 3.11Å; S63-G65 PolarHBondContact O-N 2.94Å
64	P	68.6	Low	69.8	Low	18 Å²	18	77 Å²	77	12%	0.117	43%	0.431	C	S	.	.			trans	-66.5	3.7	-178.4	25.6	-33.8	0	0	0	114.4	W49 H67 R71 P73	W49-P64 HydrophobicContact CB-CB 4.5Å; W49-P64 HydrophobicContact CB-CG 3.91Å; W49-P64 HydrophobicContact CD2-CB 3.85Å; W49-P64 HydrophobicContact CD2-CG 3.46Å; W49-P64 VanDerWaalsContact CD2-CG 3.46Å; W49-P64 HydrophobicContact CE3-CB 4.31Å; W49-P64 HydrophobicContact CE3-CG 3.51Å; W49-P64 HydrophobicContact CG-CB 3.91Å; W49-P64 HydrophobicContact CG-CG 3.63Å; W49-P64 HydrophobicContact CZ3-CG 4.16Å; P64-H67 PolarHBondContact O-CE1 3.14Å; P64-H67 PolarHBondContact O-NE2 3.26Å; P64-R71 HydrophobicContact CB-CB 4.25Å; P64-R71 HydrophobicContact CB-CG 4.11Å; P64-P73 HydrophobicContact CG-CG 4.43Å
65	G	77.3	Confident	70.8	Confident	27 Å²	27	79.8 Å²	79.8	28%	0.278	43%	0.433	S	S	.	.			trans	85.3	178.1	163	0	0	0	0	0	115.3	S63 H67	S63-G65 PolarHBondContact O-N 2.94Å; G65-H67 PolarHBondContact O-N 3.38Å
66	N	83.7	Confident	72.2	Confident	130 Å²	130	74.3 Å²	74.3	70%	0.695	39%	0.393	S	S	*	.	S	Bend	trans	-82.2	56.7	-176.6	-167.7	15.6	0	0	0	112.5	N48 L50	N48-N66 PolarHBondContact ND2-OD1 3.12Å; L50-N66 HydrophobicContact CD1-CB 3.67Å
67	H	85.2	Confident	73.7	Confident	45 Å²	45	69.4 Å²	69.4	21%	0.208	39%	0.389	C	S	.	.	S	Bend	trans	-138.6	-179.8	175.3	66.7	40.8	0	0	0	111.6	N48 W49 P64 G65 Y69 R71	N48-H67 WeakPolarHBondContact CA-O 3.39Å; W49-H67 AromaticContact CD1-CE1 3.76Å; W49-H67 AromaticContact CD1-ND1 3.41Å; W49-H67 PolarHBondContact N-O 3.4Å; W49-H67 AromaticContact NE1-CE1 3.75Å; W49-H67 AromaticContact NE1-ND1 3.71Å; P64-H67 PolarHBondContact O-CE1 3.14Å; P64-H67 PolarHBondContact O-NE2 3.26Å; G65-H67 PolarHBondContact O-N 3.38Å; H67-Y69 HydrophobicContact CB-CD2 3.66Å; H67-Y69 HydrophobicContact CB-CE2 3.8Å; H67-Y69 HydrophobicContact CB-CG 4.49Å; H67-Y69 AromaticContact CD2-CD2 3.49Å; H67-Y69 VanDerWaalsContact CD2-CD2 3.49Å; H67-Y69 WeakPolarHBondContact CD2-CD2 3.25Å; H67-Y69 AromaticContact CG-CD2 3.44Å; H67-Y69 VanDerWaalsContact CG-CD2 3.44Å; H67-Y69 AromaticContact ND1-CD2 3.87Å; H67-Y69 PolarHBondContact ND1-N 2.93Å; H67-Y69 AromaticContact NE2-CD2 3.94Å; H67-R71 PolarHBondContact CE1-NE 3.45Å; H67-R71 PolarHBondContact NE2-NE 3.24Å; H67-R71 PolarHBondContact NE2-NH2 3.17Å; H67-R71 VanDerWaalsContact NE2-NH2 3.17Å
68	N	88.8	Confident	75.3	Confident	29 Å²	29	69.7 Å²	69.7	16%	0.155	38%	0.383	C	S	.	.			trans	-119.3	17.4	177.3	78.3	-57.2	0	0	0	113.6	C46 L47	C46-N68 HydrophobicContact CB-CB 4.38Å; C46-N68 WeakPolarHBondContact CB-O 3.42Å; C46-N68 WeakPolarHBondContact O-CB 3.49Å; C46-N68 PolarHBondContact O-ND2 3.08Å; L47-N68 WeakPolarHBondContact O-CB 3.18Å
69	Y	86.9	Confident	77	Confident	69 Å²	69	66 Å²	66	27%	0.271	36%	0.358	S	S	.	.			trans	-80.5	151.2	-179.1	-48.3	-57	0	0	0	113.1	D36 Q37 P38 W49 H67	D36-Y69 VanDerWaalsContact C-CD1 3.43Å; D36-Y69 HydrophobicContact CB-CD1 3.76Å; D36-Y69 HydrophobicContact CB-CD2 4.01Å; D36-Y69 HydrophobicContact CB-CE1 3.65Å; D36-Y69 HydrophobicContact CB-CE2 3.92Å; D36-Y69 HydrophobicContact CB-CG 3.93Å; D36-Y69 VanDerWaalsContact CG-CD2 3.43Å; D36-Y69 VanDerWaalsContact O-CD1 3.31Å; D36-Y69 WeakPolarHBondContact O-CD1 3.26Å; D36-Y69 WeakPolarHBondContact OD1-CD2 3.42Å; D36-Y69 WeakPolarHBondContact OD1-CE2 3.37Å; D36-Y69 WeakPolarHBondContact OD2-CE2 3.5Å; Q37-Y69 CarbonylContact O-C 3.45Å; Q37-Y69 VanDerWaalsContact O-CA 3.23Å; Q37-Y69 WeakPolarHBondContact O-CA 3.43Å; P38-Y69 HydrophobicContact CB-CD1 4.13Å; P38-Y69 HydrophobicContact CB-CE1 4.35Å; W49-Y69 PolarHBondContact NE1-O 3.02Å; H67-Y69 HydrophobicContact CB-CD2 3.66Å; H67-Y69 HydrophobicContact CB-CE2 3.8Å; H67-Y69 HydrophobicContact CB-CG 4.49Å; H67-Y69 AromaticContact CD2-CD2 3.49Å; H67-Y69 VanDerWaalsContact CD2-CD2 3.49Å; H67-Y69 WeakPolarHBondContact CD2-CD2 3.25Å; H67-Y69 AromaticContact CG-CD2 3.44Å; H67-Y69 VanDerWaalsContact CG-CD2 3.44Å; H67-Y69 AromaticContact ND1-CD2 3.87Å; H67-Y69 PolarHBondContact ND1-N 2.93Å; H67-Y69 AromaticContact NE2-CD2 3.94Å
70	C	86.6	Confident	78.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.			trans	-59.8	132.8	176.4	-60.8	0	0	0	0	112.1	Y33 Q37 P80 W81 C96	Y33-C70 HydrophobicContact CE1-CB 4.31Å; Q37-C70 HydrophobicContact CB-CB 4.49Å; Q37-C70 PolarHBondContact O-N 3.4Å; Q37-C70 PolarHBondContact O-SG 3.44Å; C70-P80 HydrophobicContact CB-CB 4.19Å; C70-W81 WeakPolarHBondContact CA-O 3.23Å; C70-C96 HydrophobicContact CB-CB 3.78Å; C70-C96 WeakPolarHBondContact CB-SG 3.41Å; C70-C96 WeakPolarHBondContact SG-CB 3.22Å; C70-C96 CovalentContact SG-SG 2.03Å; C70-C96 PolarHBondContact SG-SG 3.14Å
71	R	88	Confident	80.7	Confident	23 Å²	23	53.7 Å²	53.7	9%	0.087	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-146.1	167.1	179.2	-58.5	-65.5	173.4	-117.2	9.3	109.5	Y33 R34 E35 D36 W49 P64 H67 W81	Y33-R71 WeakPolarHBondContact O-CD 3.48Å; R34-R71 VanDerWaalsContact C-NH1 3.29Å; R34-R71 PolarHBondContact O-NH1 2.94Å; R34-R71 PolarHBondContact O-NH2 3.45Å; E35-R71 PolarHBondContact O-NH1 3.4Å; D36-R71 IonicContact OD1-CZ 2.73Å; D36-R71 IonicContact OD1-NH2 2.71Å; D36-R71 PolarHBondContact OD1-NH2 2.84Å; W49-R71 HydrophobicContact CZ2-CB 3.87Å; W49-R71 HydrophobicContact CZ2-CG 4.33Å; P64-R71 HydrophobicContact CB-CB 4.25Å; P64-R71 HydrophobicContact CB-CG 4.11Å; H67-R71 PolarHBondContact CE1-NE 3.45Å; H67-R71 PolarHBondContact NE2-NE 3.24Å; H67-R71 PolarHBondContact NE2-NH2 3.17Å; H67-R71 VanDerWaalsContact NE2-NH2 3.17Å; R71-W81 PolarHBondContact N-O 2.88Å; R71-W81 VanDerWaalsContact N-O 3.11Å; R71-W81 PolarHBondContact O-N 3.36Å; R71-W81 VanDerWaalsContact O-O 3.12Å
72	N	87.9	Confident	82.4	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.027	27%	0.269	C	S	.	.			trans	-131.4	75.9	170.7	-163.2	3.1	0	0	0	112.6	N29 D74 Q75 D76 G79 W81	N29-N72 PolarHBondContact O-ND2 3.05Å; N72-D74 PolarHBondContact OD1-OD1 2.78Å; N72-D74 VanDerWaalsContact OD1-OD1 3.04Å; N72-Q75 PolarHBondContact OD1-N 3.4Å; N72-D76 PolarHBondContact ND2-N 3.29Å; N72-D76 PolarHBondContact ND2-O 2.96Å; N72-D76 WeakPolarHBondContact OD1-CB 2.98Å; N72-D76 PolarHBondContact OD1-N 2.9Å; N72-G79 PolarHBondContact ND2-O 3.47Å; N72-W81 PolarHBondContact OD1-NE1 2.73Å
73	P	84.4	Confident	83.9	Confident	26 Å²	26	47 Å²	47	17%	0.169	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.3	-179.2	29.7	-34.7	0	0	0	113	E61 P64 Q75 W81	E61-P73 WeakPolarHBondContact CG-O 3.33Å; P64-P73 HydrophobicContact CG-CG 4.43Å; P73-Q75 VanDerWaalsContact C-N 3.3Å; P73-Q75 PolarHBondContact O-N 3.02Å; P73-W81 HydrophobicContact CG-CZ2 4.19Å
74	D	83.6	Confident	85.2	Confident	83 Å²	83	43.6 Å²	43.6	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	9.4	179.6	61.3	-27.9	0	0	0	113.6	N72 D76 W81 K93	N72-D74 PolarHBondContact OD1-OD1 2.78Å; N72-D74 VanDerWaalsContact OD1-OD1 3.04Å; D74-D76 PolarHBondContact O-N 2.89Å; D74-D76 VanDerWaalsContact O-N 3.14Å; D74-W81 VanDerWaalsContact OD1-CE2 3.26Å; D74-W81 WeakPolarHBondContact OD1-CZ2 3.41Å; D74-W81 PolarHBondContact OD1-NE1 2.95Å; D74-K93 IonicContact OD1-NZ 3.68Å; D74-K93 PolarHBondContact OD1-NZ 3.17Å; D74-K93 IonicContact OD2-NZ 2.69Å; D74-K93 PolarHBondContact OD2-NZ 3.03Å
75	Q	82.9	Confident	86.1	Confident	101 Å²	101	47.1 Å²	47.1	47%	0.472	25%	0.247	S	C	.	.			trans	52.8	32.1	179	-49	-176	32.6	0	0	113.6	N29 H31 N72 P73	N29-Q75 PolarHBondContact ND2-O 3.19Å; H31-Q75 HydrophobicContact CB-CG 4.07Å; N72-Q75 PolarHBondContact OD1-N 3.4Å; P73-Q75 VanDerWaalsContact C-N 3.3Å; P73-Q75 PolarHBondContact O-N 3.02Å
76	D	84.4	Confident	86.5	Confident	15 Å²	15	47.3 Å²	47.3	8%	0.08	24%	0.244	C	C	.	.			trans	-51	126.7	179.8	-167.1	-43.7	0	0	0	111.4	N72 D74 R78 G79 K93	N72-D76 PolarHBondContact ND2-N 3.29Å; N72-D76 PolarHBondContact ND2-O 2.96Å; N72-D76 WeakPolarHBondContact OD1-CB 2.98Å; N72-D76 PolarHBondContact OD1-N 2.9Å; D74-D76 PolarHBondContact O-N 2.89Å; D74-D76 VanDerWaalsContact O-N 3.14Å; D76-R78 PolarHBondContact O-N 2.9Å; D76-R78 VanDerWaalsContact OD1-CB 3.3Å; D76-R78 WeakPolarHBondContact OD1-CB 3.39Å; D76-R78 WeakPolarHBondContact OD1-CG 3.02Å; D76-R78 IonicContact OD1-CZ 2.74Å; D76-R78 PolarHBondContact OD1-N 2.92Å; D76-R78 IonicContact OD1-NE 3.72Å; D76-R78 PolarHBondContact OD1-NE 3.38Å; D76-R78 IonicContact OD1-NH2 2.82Å; D76-R78 IonicContact OD2-CZ 3.29Å; D76-R78 IonicContact OD2-NE 3.44Å; D76-R78 PolarHBondContact OD2-NE 3.18Å; D76-R78 IonicContact OD2-NH2 3.91Å; D76-R78 PolarHBondContact OD2-NH2 3.13Å; D76-G79 PolarHBondContact O-N 3.18Å; D76-K93 WeakPolarHBondContact OD2-CE 3.34Å; D76-K93 IonicContact OD2-NZ 2.69Å; D76-K93 PolarHBondContact OD2-NZ 2.89Å
77	P	83.6	Confident	86.5	Confident	112 Å²	112	51 Å²	51	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.8	-178.8	28	-36.2	0	0	0	114.3	G79	P77-G79 VanDerWaalsContact C-N 3.35Å
78	R	83.9	Confident	86.3	Confident	161 Å²	161	54 Å²	54	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	7	172.8	-57.9	171.1	-67.8	177.4	0.3	113.7	D76	D76-R78 PolarHBondContact O-N 2.9Å; D76-R78 VanDerWaalsContact OD1-CB 3.3Å; D76-R78 WeakPolarHBondContact OD1-CB 3.39Å; D76-R78 WeakPolarHBondContact OD1-CG 3.02Å; D76-R78 IonicContact OD1-CZ 2.74Å; D76-R78 PolarHBondContact OD1-N 2.92Å; D76-R78 IonicContact OD1-NE 3.72Å; D76-R78 PolarHBondContact OD1-NE 3.38Å; D76-R78 IonicContact OD1-NH2 2.82Å; D76-R78 IonicContact OD2-CZ 3.29Å; D76-R78 IonicContact OD2-NE 3.44Å; D76-R78 PolarHBondContact OD2-NE 3.18Å; D76-R78 IonicContact OD2-NH2 3.91Å; D76-R78 PolarHBondContact OD2-NH2 3.13Å
79	G	85.8	Confident	85.8	Confident	3 Å²	3	55.9 Å²	55.9	3%	0.031	30%	0.304	C	S	.	.			trans	86.7	-168.8	175.9	0	0	0	0	0	114.8	N29 N72 D76 P77	N29-G79 WeakPolarHBondContact O-CA 3.02Å; N72-G79 PolarHBondContact ND2-O 3.47Å; D76-G79 PolarHBondContact O-N 3.18Å; P77-G79 VanDerWaalsContact C-N 3.35Å
80	P	88.4	Confident	85.7	Confident	4 Å²	4	57 Å²	57	3%	0.026	32%	0.318	C	S	.	.			trans	-56.4	143.4	175	-24.5	35.6	0	0	0	113.4	F26 Y33 C70 C96	F26-P80 HydrophobicContact CB-CG 4.47Å; F26-P80 HydrophobicContact CD1-CG 3.85Å; F26-P80 HydrophobicContact CD2-CG 4.43Å; F26-P80 VanDerWaalsContact CE1-CD 3.48Å; F26-P80 HydrophobicContact CE1-CG 4.13Å; F26-P80 HydrophobicContact CG-CG 4.01Å; F26-P80 VanDerWaalsContact CZ-CD 3.49Å; Y33-P80 HydrophobicContact CD1-CB 3.76Å; Y33-P80 HydrophobicContact CD1-CG 3.61Å; Y33-P80 HydrophobicContact CE1-CB 4.28Å; Y33-P80 HydrophobicContact CE1-CG 4.27Å; Y33-P80 HydrophobicContact CG-CB 4.41Å; Y33-P80 HydrophobicContact CG-CG 3.78Å; C70-P80 HydrophobicContact CB-CB 4.19Å; P80-C96 PolarHBondContact O-N 3.21Å
81	W	88.3	Confident	85.7	Confident	12 Å²	12	59.2 Å²	59.2	5%	0.045	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	173.2	-176.1	60.7	-88.8	0	0	0	110.9	W49 C70 R71 N72 P73 D74 Y83 K93 R94	W49-W81 AromaticContact CH2-CD2 3.79Å; W49-W81 HydrophobicContact CH2-CD2 3.79Å; W49-W81 AromaticContact CH2-CE2 3.98Å; W49-W81 AromaticContact CH2-CE3 3.61Å; W49-W81 HydrophobicContact CH2-CE3 3.61Å; W49-W81 AromaticContact CH2-CH2 3.98Å; W49-W81 HydrophobicContact CH2-CH2 3.98Å; W49-W81 HydrophobicContact CH2-CZ2 4.1Å; W49-W81 AromaticContact CH2-CZ3 3.72Å; W49-W81 HydrophobicContact CH2-CZ3 3.72Å; W49-W81 WeakPolarHBondContact CH2-O 2.94Å; W49-W81 WeakPolarHBondContact CZ2-O 3.31Å; W49-W81 HydrophobicContact CZ3-CD2 4.32Å; W49-W81 AromaticContact CZ3-CE3 3.87Å; W49-W81 HydrophobicContact CZ3-CE3 3.87Å; W49-W81 AromaticContact CZ3-CH2 3.5Å; W49-W81 HydrophobicContact CZ3-CH2 3.5Å; W49-W81 VanDerWaalsContact CZ3-CH2 3.5Å; W49-W81 AromaticContact CZ3-CZ2 3.93Å; W49-W81 HydrophobicContact CZ3-CZ2 3.93Å; W49-W81 AromaticContact CZ3-CZ3 3.44Å; W49-W81 HydrophobicContact CZ3-CZ3 3.44Å; W49-W81 VanDerWaalsContact CZ3-CZ3 3.44Å; C70-W81 WeakPolarHBondContact CA-O 3.23Å; R71-W81 PolarHBondContact N-O 2.88Å; R71-W81 VanDerWaalsContact N-O 3.11Å; R71-W81 PolarHBondContact O-N 3.36Å; R71-W81 VanDerWaalsContact O-O 3.12Å; N72-W81 PolarHBondContact OD1-NE1 2.73Å; P73-W81 HydrophobicContact CG-CZ2 4.19Å; D74-W81 VanDerWaalsContact OD1-CE2 3.26Å; D74-W81 WeakPolarHBondContact OD1-CZ2 3.41Å; D74-W81 PolarHBondContact OD1-NE1 2.95Å; W81-Y83 AromaticContact CH2-CE2 3.88Å; W81-Y83 HydrophobicContact CH2-CE2 3.88Å; W81-Y83 AromaticContact CH2-CZ 3.86Å; W81-Y83 HydrophobicContact CZ3-CD1 4.46Å; W81-Y83 AromaticContact CZ3-CD2 3.94Å; W81-Y83 HydrophobicContact CZ3-CD2 3.94Å; W81-Y83 HydrophobicContact CZ3-CE1 4.1Å; W81-Y83 AromaticContact CZ3-CE2 3.52Å; W81-Y83 HydrophobicContact CZ3-CE2 3.52Å; W81-Y83 HydrophobicContact CZ3-CG 4.39Å; W81-Y83 AromaticContact CZ3-CZ 3.62Å; W81-K93 HydrophobicContact CD2-CD 3.6Å; W81-K93 HydrophobicContact CD2-CG 3.86Å; W81-K93 VanDerWaalsContact CE2-CE 3.46Å; W81-K93 HydrophobicContact CE3-CB 4.02Å; W81-K93 HydrophobicContact CE3-CD 3.49Å; W81-K93 VanDerWaalsContact CE3-CD 3.49Å; W81-K93 HydrophobicContact CE3-CG 3.43Å; W81-K93 VanDerWaalsContact CE3-CG 3.43Å; W81-K93 HydrophobicContact CG-CD 4.21Å; W81-K93 HydrophobicContact CG-CG 4.34Å; W81-K93 HydrophobicContact CH2-CD 3.81Å; W81-K93 HydrophobicContact CH2-CG 4.5Å; W81-K93 HydrophobicContact CZ2-CD 3.94Å; W81-K93 HydrophobicContact CZ3-CB 3.99Å; W81-K93 HydrophobicContact CZ3-CD 3.6Å; W81-K93 HydrophobicContact CZ3-CG 3.79Å; W81-R94 CarbonylContact C-O 3.55Å; W81-R94 VanDerWaalsContact CA-O 3.25Å; W81-R94 WeakPolarHBondContact CA-O 3.35Å; W81-R94 WeakPolarHBondContact CB-O 3.48Å
82	C	90.1	Very high	85.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	174.5	169	73.4	0	0	0	0	111.2	C46 W49 R94	C46-C82 VanDerWaalsContact CA-SG 3.56Å; C46-C82 HydrophobicContact CB-CB 3.58Å; C46-C82 WeakPolarHBondContact CB-SG 3.49Å; C46-C82 WeakPolarHBondContact SG-CB 3.34Å; C46-C82 CovalentContact SG-SG 2.03Å; C46-C82 PolarHBondContact SG-SG 2.85Å; W49-C82 HydrophobicContact CZ2-CB 4.34Å; C82-R94 PolarHBondContact N-O 2.99Å; C82-R94 PolarHBondContact O-N 2.71Å
83	Y	89.8	Confident	85.7	Confident	44 Å²	44	64 Å²	64	17%	0.173	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.9	170.7	-68.9	-81.3	0	0	0	111.2	C46 L47 W49 A52 Q53 W81 P91 E92	C46-Y83 CarbonylContact C-O 3.56Å; C46-Y83 WeakPolarHBondContact CA-O 3.02Å; L47-Y83 PolarHBondContact N-O 3.45Å; W49-Y83 AromaticContact CE3-CD2 3.87Å; W49-Y83 HydrophobicContact CE3-CD2 3.87Å; W49-Y83 AromaticContact CE3-CE2 3.76Å; W49-Y83 HydrophobicContact CE3-CE2 3.76Å; W49-Y83 AromaticContact CZ3-CD2 3.99Å; W49-Y83 HydrophobicContact CZ3-CD2 3.99Å; W49-Y83 AromaticContact CZ3-CE2 3.76Å; W49-Y83 HydrophobicContact CZ3-CE2 3.76Å; A52-Y83 HydrophobicContact CB-CD1 4.27Å; A52-Y83 HydrophobicContact CB-CD2 3.53Å; A52-Y83 HydrophobicContact CB-CE2 4.25Å; A52-Y83 HydrophobicContact CB-CG 3.53Å; Q53-Y83 HydrophobicContact CG-CE2 3.72Å; W81-Y83 AromaticContact CH2-CE2 3.88Å; W81-Y83 HydrophobicContact CH2-CE2 3.88Å; W81-Y83 AromaticContact CH2-CZ 3.86Å; W81-Y83 HydrophobicContact CZ3-CD1 4.46Å; W81-Y83 AromaticContact CZ3-CD2 3.94Å; W81-Y83 HydrophobicContact CZ3-CD2 3.94Å; W81-Y83 HydrophobicContact CZ3-CE1 4.1Å; W81-Y83 AromaticContact CZ3-CE2 3.52Å; W81-Y83 HydrophobicContact CZ3-CE2 3.52Å; W81-Y83 HydrophobicContact CZ3-CG 4.39Å; W81-Y83 AromaticContact CZ3-CZ 3.62Å; Y83-P91 HydrophobicContact CD1-CB 3.77Å; Y83-P91 HydrophobicContact CG-CB 4.24Å; Y83-E92 CarbonylContact C-O 3.52Å; Y83-E92 WeakPolarHBondContact CA-O 3.5Å
84	I	90.3	Very high	85.9	Confident	9 Å²	9	67.5 Å²	67.5	5%	0.046	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.2	168	64.1	163	0	0	0	111.2	P40 L44 S86 P91 E92 R94	P40-I84 HydrophobicContact CG-CG2 3.87Å; L44-I84 HydrophobicContact CD1-CD1 4.3Å; L44-I84 HydrophobicContact CD2-CD1 4.4Å; I84-S86 PolarHBondContact O-N 2.79Å; I84-P91 WeakPolarHBondContact O-CA 3.41Å; I84-E92 HydrophobicContact CG1-CB 4.02Å; I84-E92 PolarHBondContact N-O 3.44Å; I84-E92 PolarHBondContact O-N 2.89Å; I84-R94 HydrophobicContact CD1-CG 3.68Å; I84-R94 HydrophobicContact CG1-CG 3.88Å
85	S	88.7	Confident	86.1	Confident	91 Å²	91	66.6 Å²	66.6	64%	0.636	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	111.9	172	51.7	0	0	0	0	110.9
86	S	84.6	Confident	86.3	Confident	31 Å²	31	62.3 Å²	62.3	22%	0.217	35%	0.345	C	S	.	.			trans	-79.7	151.6	168.3	-170	0	0	0	0	111	I84 T88 G89 V90	I84-S86 PolarHBondContact O-N 2.79Å; S86-T88 WeakPolarHBondContact CB-OG1 3.27Å; S86-T88 PolarHBondContact O-N 3.03Å; S86-T88 VanDerWaalsContact O-N 3.14Å; S86-T88 PolarHBondContact OG-OG1 3.32Å; S86-G89 PolarHBondContact O-N 3.22Å; S86-V90 WeakPolarHBondContact CB-O 3.44Å
87	E	84	Confident	86	Confident	208 Å²	208	67 Å²	67	97%	0.972	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.3	170.8	-60.1	-177.6	157.3	0	0	112.5	G89	E87-G89 PolarHBondContact O-N 2.03Å
88	T	81.2	Confident	85.2	Confident	108 Å²	108	66.9 Å²	66.9	66%	0.663	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.6	175.5	62.1	0	0	0	0	114.2	S86 V90	S86-T88 WeakPolarHBondContact CB-OG1 3.27Å; S86-T88 PolarHBondContact O-N 3.03Å; S86-T88 VanDerWaalsContact O-N 3.14Å; S86-T88 PolarHBondContact OG-OG1 3.32Å; T88-V90 PolarHBondContact O-N 3.24Å
89	G	79.4	Confident	84.4	Confident	68 Å²	68	61.7 Å²	61.7	70%	0.701	35%	0.345	S	S	*	.	S	Bend	trans	76.3	-6.1	-174.7	0	0	0	0	0	114.9	S86 E87	S86-G89 PolarHBondContact O-N 3.22Å; E87-G89 PolarHBondContact O-N 2.03Å
90	V	83.9	Confident	84	Confident	93 Å²	93	63.9 Å²	63.9	56%	0.564	36%	0.361	S	S	*	.	S	Bend	trans	-88.6	132.4	175.5	-179.7	0	0	0	0	109.8	S86 T88 E92	S86-V90 WeakPolarHBondContact CB-O 3.44Å; T88-V90 PolarHBondContact O-N 3.24Å; V90-E92 PolarHBondContact O-N 2.03Å
91	P	87.1	Confident	83.5	Confident	47 Å²	47	64.2 Å²	64.2	31%	0.305	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	124.5	174.6	-25.1	36.5	0	0	0	112.6	L47 A52 Y83 I84	L47-P91 HydrophobicContact CD1-CB 4.15Å; L47-P91 HydrophobicContact CD1-CG 4.44Å; A52-P91 HydrophobicContact CB-CB 4.02Å; A52-P91 HydrophobicContact CB-CG 4.3Å; Y83-P91 HydrophobicContact CD1-CB 3.77Å; Y83-P91 HydrophobicContact CG-CB 4.24Å; I84-P91 WeakPolarHBondContact O-CA 3.41Å
92	E	87.8	Confident	82.7	Confident	69 Å²	69	70.3 Å²	70.3	32%	0.322	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.8	-176.4	-173.7	-174	150.9	0	0	111	Y83 I84 V90 R94	Y83-E92 CarbonylContact C-O 3.52Å; Y83-E92 WeakPolarHBondContact CA-O 3.5Å; I84-E92 HydrophobicContact CG1-CB 4.02Å; I84-E92 PolarHBondContact N-O 3.44Å; I84-E92 PolarHBondContact O-N 2.89Å; V90-E92 PolarHBondContact O-N 2.03Å; E92-R94 PolarHBondContact O-N 2.92Å; E92-R94 IonicContact OE1-CZ 3.59Å; E92-R94 IonicContact OE1-NE 3.15Å; E92-R94 PolarHBondContact OE1-NE 2.94Å; E92-R94 IonicContact OE1-NH2 3.69Å; E92-R94 PolarHBondContact OE1-NH2 3.25Å; E92-R94 IonicContact OE2-NH2 2.81Å
93	K	88	Confident	81.4	Confident	59 Å²	59	74 Å²	74	26%	0.257	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.2	174.1	164.7	165.2	177.2	165.5	0	110.2	D74 D76 W81	D74-K93 IonicContact OD1-NZ 3.68Å; D74-K93 PolarHBondContact OD1-NZ 3.17Å; D74-K93 IonicContact OD2-NZ 2.69Å; D74-K93 PolarHBondContact OD2-NZ 3.03Å; D76-K93 WeakPolarHBondContact OD2-CE 3.34Å; D76-K93 IonicContact OD2-NZ 2.69Å; D76-K93 PolarHBondContact OD2-NZ 2.89Å; W81-K93 HydrophobicContact CD2-CD 3.6Å; W81-K93 HydrophobicContact CD2-CG 3.86Å; W81-K93 VanDerWaalsContact CE2-CE 3.46Å; W81-K93 HydrophobicContact CE3-CB 4.02Å; W81-K93 HydrophobicContact CE3-CD 3.49Å; W81-K93 VanDerWaalsContact CE3-CD 3.49Å; W81-K93 HydrophobicContact CE3-CG 3.43Å; W81-K93 VanDerWaalsContact CE3-CG 3.43Å; W81-K93 HydrophobicContact CG-CD 4.21Å; W81-K93 HydrophobicContact CG-CG 4.34Å; W81-K93 HydrophobicContact CH2-CD 3.81Å; W81-K93 HydrophobicContact CH2-CG 4.5Å; W81-K93 HydrophobicContact CZ2-CD 3.94Å; W81-K93 HydrophobicContact CZ3-CB 3.99Å; W81-K93 HydrophobicContact CZ3-CD 3.6Å; W81-K93 HydrophobicContact CZ3-CG 3.79Å
94	R	88.8	Confident	79.5	Confident	99 Å²	99	74 Å²	74	37%	0.374	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.7	172.5	-74.7	-68.7	178.8	96.1	8.4	111.3	W81 C82 I84 E92	W81-R94 CarbonylContact C-O 3.55Å; W81-R94 VanDerWaalsContact CA-O 3.25Å; W81-R94 WeakPolarHBondContact CA-O 3.35Å; W81-R94 WeakPolarHBondContact CB-O 3.48Å; C82-R94 PolarHBondContact N-O 2.99Å; C82-R94 PolarHBondContact O-N 2.71Å; I84-R94 HydrophobicContact CD1-CG 3.68Å; I84-R94 HydrophobicContact CG1-CG 3.88Å; E92-R94 PolarHBondContact O-N 2.92Å; E92-R94 IonicContact OE1-CZ 3.59Å; E92-R94 IonicContact OE1-NE 3.15Å; E92-R94 PolarHBondContact OE1-NE 2.94Å; E92-R94 IonicContact OE1-NH2 3.69Å; E92-R94 PolarHBondContact OE1-NH2 3.25Å; E92-R94 IonicContact OE2-NH2 2.81Å
95	P	87.8	Confident	77.3	Confident	64 Å²	64	82.1 Å²	82.1	42%	0.416	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	152	166.5	31	-35.2	0	0	0	109.5	P40	P40-P95 WeakPolarHBondContact CB-O 3.23Å
96	C	86.3	Confident	75.6	Confident	12 Å²	12	83.9 Å²	83.9	8%	0.081	49%	0.486	C	S	.	.			trans	-92.9	161.2	170.6	-62.6	0	0	0	0	110.9	P40 C70 P80 D98	P40-C96 HydrophobicContact CB-CB 4.37Å; P40-C96 CarbonylContact O-C 3.54Å; C70-C96 HydrophobicContact CB-CB 3.78Å; C70-C96 WeakPolarHBondContact CB-SG 3.41Å; C70-C96 WeakPolarHBondContact SG-CB 3.22Å; C70-C96 CovalentContact SG-SG 2.03Å; C70-C96 PolarHBondContact SG-SG 3.14Å; P80-C96 PolarHBondContact O-N 3.21Å; C96-D98 PolarHBondContact O-N 3.46Å
97	E	79	Confident	74	Confident	112 Å²	112	85.7 Å²	85.7	52%	0.523	51%	0.509	S	S	.	.			trans	-44.5	123.2	178.9	-163.3	64.8	-113.9	0	0	112.1	P40 V99	P40-E97 PolarHBondContact O-N 2.99Å; E97-V99 PolarHBondContact O-N 3.37Å
98	D	65.4	Low	71.7	Confident	111 Å²	111	80 Å²	80	59%	0.594	49%	0.489	S	S	*	.			trans	-82.3	80.7	-165.5	-175.4	4.7	0	0	0	111.8	F26 C96 S100	F26-D98 WeakPolarHBondContact CE1-OD1 3.41Å; F26-D98 WeakPolarHBondContact CZ-OD1 3.43Å; C96-D98 PolarHBondContact O-N 3.46Å; D98-S100 VanDerWaalsContact C-N 3.26Å; D98-S100 PolarHBondContact O-N 3.01Å; D98-S100 WeakPolarHBondContact OD1-CB 3.31Å; D98-S100 PolarHBondContact OD1-N 3.16Å; D98-S100 VanDerWaalsContact OD1-N 3.11Å
99	V	67.6	Low	69.6	Low	51 Å²	51	80.1 Å²	80.1	31%	0.309	49%	0.489	S	S	.	.			trans	-89.4	57.5	167.9	-159.3	0	0	0	0	110.1	C25 F26 E97 C101	C25-V99 CarbonylContact C-O 3.58Å; C25-V99 WeakPolarHBondContact CA-O 3.21Å; C25-V99 HydrophobicContact CB-CB 4.38Å; C25-V99 HydrophobicContact CB-CG1 3.67Å; C25-V99 WeakPolarHBondContact CB-O 3.1Å; F26-V99 WeakPolarHBondContact CD1-O 3.41Å; F26-V99 PolarHBondContact N-O 3.34Å; E97-V99 PolarHBondContact O-N 3.37Å; V99-C101 PolarHBondContact O-N 3.29Å
100	S	77.3	Confident	67.6	Low	50 Å²	50	86.4 Å²	86.4	35%	0.35	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-61.3	129.5	165.6	-169.1	0	0	0	0	110.2	D98	D98-S100 VanDerWaalsContact C-N 3.26Å; D98-S100 PolarHBondContact O-N 3.01Å; D98-S100 WeakPolarHBondContact OD1-CB 3.31Å; D98-S100 PolarHBondContact OD1-N 3.16Å; D98-S100 VanDerWaalsContact OD1-N 3.11Å
101	C	77.5	Confident	65	Low	11 Å²	11	87.5 Å²	87.5	7%	0.074	51%	0.508	C	S	.	.			trans	-65.5	138.6	-175.3	-60.1	0	0	0	0	111.7	C25 F26 W27 V99 G103 T104	C25-C101 HydrophobicContact CB-CB 3.89Å; C25-C101 WeakPolarHBondContact CB-SG 3.49Å; C25-C101 VanDerWaalsContact SG-CA 3.6Å; C25-C101 WeakPolarHBondContact SG-CB 3.48Å; C25-C101 CovalentContact SG-SG 2.03Å; C25-C101 PolarHBondContact SG-SG 3.5Å; F26-C101 PolarHBondContact N-SG 2.99Å; F26-C101 VanDerWaalsContact N-SG 3.43Å; F26-C101 PolarHBondContact O-N 3.27Å; F26-C101 PolarHBondContact O-SG 3.14Å; W27-C101 VanDerWaalsContact CD1-CB 3.49Å; W27-C101 VanDerWaalsContact CD1-SG 3.58Å; W27-C101 PolarHBondContact NE1-SG 2.85Å; W27-C101 VanDerWaalsContact NE1-SG 3.42Å; V99-C101 PolarHBondContact O-N 3.29Å; C101-G103 PolarHBondContact O-N 3.47Å; C101-T104 PolarHBondContact O-N 3.38Å
102	P	72.8	Confident	62.5	Low	140 Å²	140	91.4 Å²	91.4	91%	0.909	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	93.1	176.6	28.1	-34.8	0	0	0	111.3
103	G	62.6	Low	60.3	Low	77 Å²	77	93.2 Å²	93.2	79%	0.794	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.4	-27.4	-180	0	0	0	0	0	113.9	C101	C101-G103 PolarHBondContact O-N 3.47Å
104	T	49.6	Very low	57.8	Low	44 Å²	44	99.9 Å²	99.9	27%	0.27	58%	0.583	S	S	.	*			trans	-110.7	94.3	-172.8	-36.8	0	0	0	0	111.8	D28 C101	D28-T104 VanDerWaalsContact OD1-CG2 3.29Å; D28-T104 WeakPolarHBondContact OD1-CG2 3.1Å; C101-T104 PolarHBondContact O-N 3.38Å
105	R	43.9	Very low	55.2	Low	180 Å²	180	99.9 Å²	99.9	68%	0.679	60%	0.604	S	S	*	*			trans	-142.9	110.9	160.9	-156	-169	-70.5	-154.1	-2	113	G107 T108	R105-G107 PolarHBondContact O-N 2.89Å; R105-T108 VanDerWaalsContact CD-CB 3.44Å; R105-T108 WeakPolarHBondContact CD-OG1 3.34Å; R105-T108 VanDerWaalsContact NH1-CB 3.27Å; R105-T108 PolarHBondContact NH1-OG1 3.09Å
106	P	54.1	Low	52.7	Low	128 Å²	128	102.5 Å²	102.5	83%	0.831	62%	0.622	S	S	*	*	S	Bend	trans	-66.1	92.3	162.5	-17.4	32.1	0	0	0	110.1
107	G	50.9	Low	50.5	Low	69 Å²	69	107.7 Å²	107.7	71%	0.711	66%	0.655	S	S	*	*	S	Bend	trans	77.8	78	168.5	0	0	0	0	0	116.3	R105	R105-G107 PolarHBondContact O-N 2.89Å
108	T	34.7	Very low	48.9	Very low	88 Å²	88	108.5 Å²	108.5	54%	0.54	67%	0.67	S	S	.	*			trans	-142	123.5	140.8	-53.1	0	0	0	0	108.9	R105	R105-T108 VanDerWaalsContact CD-CB 3.44Å; R105-T108 WeakPolarHBondContact CD-OG1 3.34Å; R105-T108 VanDerWaalsContact NH1-CB 3.27Å; R105-T108 PolarHBondContact NH1-OG1 3.09Å
109	T	37	Very low	47.1	Very low	110 Å²	110	108.5 Å²	108.5	68%	0.675	68%	0.679	S	S	*	*			trans	-62.6	139.5	163.7	41.6	0	0	0	0	109.2	T111	T109-T111 PolarHBondContact O-N 2.88Å; T109-T111 VanDerWaalsContact O-N 3.08Å
110	E	36.8	Very low	45.5	Very low	201 Å²	201	110.7 Å²	110.7	94%	0.939	70%	0.696	S	S	*	*			trans	-56.4	121.5	164.1	-68.9	-171.8	167.9	0	0	108.7
111	T	29.8	Very low	43.3	Very low	116 Å²	116	112.7 Å²	112.7	71%	0.712	72%	0.716	S	S	*	*			trans	-142.9	106.9	176.8	-63.8	0	0	0	0	106.2	T109	T109-T111 PolarHBondContact O-N 2.88Å; T109-T111 VanDerWaalsContact O-N 3.08Å
112	T	34	Very low	41	Very low	129 Å²	129	120 Å²	120	79%	0.791	75%	0.751	S	S	*	*			trans	-61.4	158.7	177	-169.4	0	0	0	0	111	Q114	T112-Q114 PolarHBondContact O-N 3.46Å
113	S	43.1	Very low	39.1	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	75%	0.745	S	S	*	*	S	Bend	trans	-37.5	116.2	-173.7	-54.5	0	0	0	0	116
114	Q	34.3	Very low	37.6	Very low	198 Å²	198	124.4 Å²	124.4	93%	0.925	74%	0.743	S	S	*	*			trans	-173.3	150.4	130.2	-101.4	157.1	20.7	0	0	111.6	T112	T112-Q114 PolarHBondContact O-N 3.46Å
115	A	34.8	Very low	36.7	Very low	99 Å²	99	129.4 Å²	129.4	82%	0.818	76%	0.763	S	S	*	*			trans	-115.1	143.1	-179	0	0	0	0	0	111.4
116	P	34.7	Very low	36	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	76%	0.759	S	S	*	*			trans	-118.1	151.1	165	37.3	-27.5	0	0	0	113.4
117	P	41.2	Very low	34.6	Very low	121 Å²	121	128.3 Å²	128.3	79%	0.786	75%	0.752	S	S	*	*			trans	-84.8	165.4	170.5	35.9	-35.2	0	0	0	112.7
118	P	44.1	Very low	33.5	Very low	128 Å²	128	130.1 Å²	130.1	83%	0.831	75%	0.754	S	S	*	*			trans	-95.3	140.4	-177	35.4	-33.6	0	0	0	114.7
119	S	28.6	Very low	33.1	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	77%	0.765	S	S	*	*			trans	-162.6	135.6	153	-157.2	0	0	0	0	115.2
120	S	33.2	Very low	32.7	Very low	96 Å²	96	129 Å²	129	67%	0.671	77%	0.772	S	S	*	*			trans	26.1	116.5	145.2	63	0	0	0	0	124.3
121	A	31.6	Very low	32.7	Very low	93 Å²	93	125.8 Å²	125.8	77%	0.769	77%	0.768	S	S	*	*				65.1	162	113.5	0	0	0	0	0	124.4
122	M	29.9	Very low	32.6	Very low	165 Å²	165	123.7 Å²	123.7	81%	0.813	77%	0.77	S	S	*	*			trans	76.8	122.3	174.5	-65.4	169.7	175.4	0	0	115.2
123	E	32	Very low	32.3	Very low	165 Å²	165	125.1 Å²	125.1	77%	0.771	77%	0.773	S	S	*	*				69.5	135.2	70	-67.9	178.6	120.1	0	0	112.2
124	L	30.8	Very low	31.7	Very low	144 Å²	144	130.1 Å²	130.1	75%	0.754	78%	0.781	S	S	*	*			cis	-146.8	-171.9	9.5	-143.5	63.2	0	0	0	107.5
125	E	30.6	Very low	31.5	Very low	148 Å²	148	130 Å²	130	69%	0.692	78%	0.78	S	S	*	*			cis	-152.5	155.2	7.8	-175.1	177.3	-43.8	0	0	113.3
126	E	29.1	Very low	31.4	Very low	126 Å²	126	129.2 Å²	129.2	59%	0.589	77%	0.774	S	S	*	*			trans	-24.2	152.7	158.3	-153.7	-141.9	108.8	0	0	122.6
127	K	25.7	Very low	31.1	Very low	160 Å²	160	132.2 Å²	132.2	70%	0.696	78%	0.778	S	S	*	*				-165	136	115.5	-141.2	79.3	-156.4	146.1	0	116
128	S	26.4	Very low	30.4	Very low	107 Å²	107	133 Å²	133	75%	0.748	78%	0.779	S	S	*	*			trans	-23.5	153.7	160.5	-165.8	0	0	0	0	119.2
129	G	26.8	Very low	29.6	Very low	75 Å²	75	136.3 Å²	136.3	77%	0.773	78%	0.781	S	S	*	*			cis	166.7	-174.8	1.8	0	0	0	0	0	113.9
130	A	28.6	Very low	30.7	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	78%	0.779	S	S	*	*			trans	-122.6	-174.5	-178.3	0	0	0	0	0	110.3
131	P	37.5	Very low	31.2	Very low	133 Å²	133	137.5 Å²	137.5	86%	0.864	78%	0.784	S	S	*	*			cis	-136.3	-168.5	0	44.2	-26.6	0	0	0	114.8
132	G	26.7	Very low	31.2	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	78%	0.784	S	S	*	*			trans	146.9	105.6	151.5	0	0	0	0	0	117.7
133	D	28.9	Very low	31.3	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	79%	0.789	S	S	*	*			trans	-85.5	147.3	170.5	-36.4	-93.1	0	0	0	112.4
134	K	30.6	Very low	31.2	Very low	212 Å²	212	134.6 Å²	134.6	92%	0.922	79%	0.791	S	S	*	*			trans	-162.9	140.4	141.2	-74.7	-146.1	178	-179.4	0	112.4
135	E	30.3	Very low	31.5	Very low	194 Å²	194	136 Å²	136	91%	0.907	80%	0.798	S	S	*	*			trans	-89.3	156.6	168.3	-61.7	163.2	70.9	0	0	112.4
136	A	32.7	Very low	32.2	Very low	83 Å²	83	134.8 Å²	134.8	69%	0.686	80%	0.803	S	S	*	*			trans	-176.4	116.1	131.9	0	0	0	0	0	114.6
137	Q	28.3	Very low	32.2	Very low	184 Å²	184	133.5 Å²	133.5	86%	0.86	81%	0.814	S	S	*	*			trans	52	129.3	132.3	-54.3	175.3	42.6	0	0	122.3
138	V	26.6	Very low	32.7	Very low	136 Å²	136	136.1 Å²	136.1	82%	0.824	82%	0.82	S	S	*	*				-179.5	142.9	110.3	151.3	0	0	0	0	110.9
139	F	27	Very low	33.1	Very low	198 Å²	198	136.8 Å²	136.8	87%	0.868	82%	0.824	S	S	*	*			trans	-157.3	170.2	178.5	-93.2	-66.5	0	0	0	109.4
140	P	51.1	Low	33.9	Very low	112 Å²	112	140.6 Å²	140.6	73%	0.727	82%	0.822	S	S	*	*			cis	-107.3	-106.4	-21.5	34.4	-15.5	0	0	0	108.1
141	P	44.9	Very low	34.3	Very low	121 Å²	121	140.8 Å²	140.8	79%	0.786	82%	0.823	S	S	*	*			cis	-102.1	-161	-20.4	45	-33.6	0	0	0	110.7
142	A	31	Very low	34.3	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	82%	0.821	S	S	*	*			cis	-144.7	162.2	1.1	0	0	0	0	0	112.7
143	N	31.5	Very low	34.6	Very low	171 Å²	171	144.3 Å²	144.3	91%	0.914	83%	0.826	S	S	*	*			trans	-67.6	147	-164.1	-47.9	-39.1	0	0	0	117.5
144	A	31	Very low	35	Very low	98 Å²	98	142.8 Å²	142.8	81%	0.81	82%	0.822	S	S	*	*			trans	-152.8	118.1	147.4	0	0	0	0	0	112.2
145	L	35.8	Very low	35.5	Very low	174 Å²	174	141 Å²	141	91%	0.911	82%	0.817	S	S	*	*			trans	-153.4	164.4	170.9	-77.8	-175.4	0	0	0	107.1
146	P	45.5	Very low	36.2	Very low	122 Å²	122	137.2 Å²	137.2	79%	0.792	81%	0.809	S	S	*	*			cis	-133.8	170.8	13.3	41.9	-26.3	0	0	0	116.2
147	A	30.3	Very low	36.7	Very low	100 Å²	100	140 Å²	140	83%	0.826	82%	0.817	S	S	*	*			trans	-148.2	96.3	160.8	0	0	0	0	0	112.2
148	R	35.9	Very low	37.7	Very low	215 Å²	215	138.9 Å²	138.9	81%	0.811	82%	0.816	S	S	*	*			trans	-40.6	130.6	175.1	175.1	-170.2	-173.8	171	4.3	116.7	E150	R148-E150 IonicContact CZ-OE2 3.56Å; R148-E150 IonicContact NE-OE2 3.2Å; R148-E150 PolarHBondContact NE-OE2 3.46Å; R148-E150 IonicContact NH2-OE2 2.99Å; R148-E150 PolarHBondContact NH2-OE2 2.97Å
149	S	35.2	Very low	38.7	Very low	121 Å²	121	134.9 Å²	134.9	85%	0.846	80%	0.802	S	S	*	*			trans	-152.9	154.2	139.8	57.2	0	0	0	0	110.5
150	E	42.9	Very low	40.1	Very low	155 Å²	155	133.2 Å²	133.2	72%	0.724	80%	0.8	S	S	*	*			trans	-111.5	127.1	-168.6	-67.3	159.2	58.2	0	0	111.2	R148	R148-E150 IonicContact CZ-OE2 3.56Å; R148-E150 IonicContact NE-OE2 3.2Å; R148-E150 PolarHBondContact NE-OE2 3.46Å; R148-E150 IonicContact NH2-OE2 2.99Å; R148-E150 PolarHBondContact NH2-OE2 2.97Å
151	A	35.7	Very low	39.9	Very low	102 Å²	102	133 Å²	133	84%	0.843	80%	0.802	S	S	*	*			trans	-156.8	106.3	159.1	0	0	0	0	0	109.3	E153	A151-E153 PolarHBondContact O-N 3.42Å
152	A	39.4	Very low	40.1	Very low	99 Å²	99	135 Å²	135	82%	0.818	80%	0.8	S	S	*	*			trans	-82.9	104.9	173.5	0	0	0	0	0	109.2	V154	A152-V154 PolarHBondContact O-N 2.87Å
153	E	31.2	Very low	41.2	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	80%	0.801	S	S	*	*			trans	-72.4	100.1	179	-170.2	169.3	-164.8	0	0	110.5	A151 Q155	A151-E153 PolarHBondContact O-N 3.42Å; E153-Q155 PolarHBondContact O-N 2.91Å; E153-Q155 VanDerWaalsContact O-N 3.15Å
154	V	39.1	Very low	42.2	Very low	128 Å²	128	133.8 Å²	133.8	78%	0.776	78%	0.783	S	S	*	*			trans	-69.5	107.6	172.9	178.5	0	0	0	0	108.2	A152 P156	A152-V154 PolarHBondContact O-N 2.87Å; V154-P156 WeakPolarHBondContact O-CD 3.18Å; V154-P156 VanDerWaalsContact O-N 3.17Å
155	Q	40.9	Very low	43	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-55.8	119.8	173.3	-66.3	-178.8	27.1	0	0	109.6	E153 V157	E153-Q155 PolarHBondContact O-N 2.91Å; E153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-V157 PolarHBondContact O-N 3.39Å
156	P	43.4	Very low	43.6	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-65.4	132.1	168.9	28	-32.4	0	0	0	108.2	V154 I158	V154-P156 WeakPolarHBondContact O-CD 3.18Å; V154-P156 VanDerWaalsContact O-N 3.17Å; P156-I158 PolarHBondContact O-N 3Å
157	V	43.2	Very low	43.6	Very low	141 Å²	141	137.5 Å²	137.5	86%	0.855	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-52.2	136.2	176.5	174.4	0	0	0	0	109.4	Q155 G159	Q155-V157 PolarHBondContact O-N 3.39Å; V157-G159 PolarHBondContact O-N 3.39Å
158	I	50.3	Low	44.6	Very low	160 Å²	160	138.6 Å²	138.6	82%	0.821	77%	0.768	S	S	*	*			trans	-67.1	81.8	177.2	-56.8	168.8	0	0	0	108.8	P156 I160	P156-I158 PolarHBondContact O-N 3Å; I158-I160 PolarHBondContact O-N 2.95Å
159	G	47.2	Very low	45.5	Very low	52 Å²	52	136.5 Å²	136.5	54%	0.536	76%	0.764	S	S	.	*			trans	-63.7	128.9	164.5	0	0	0	0	0	108.1	V157 S161	V157-G159 PolarHBondContact O-N 3.39Å; G159-S161 PolarHBondContact O-N 2.88Å
160	I	57.3	Low	46.6	Very low	163 Å²	163	137.3 Å²	137.3	84%	0.836	75%	0.754	S	S	*	*			trans	-73.3	76.3	174.1	-53.8	175.5	0	0	0	107.6	I158 Q162	I158-I160 PolarHBondContact O-N 2.95Å; I160-Q162 VanDerWaalsContact C-N 3.26Å; I160-Q162 PolarHBondContact O-N 2.86Å
161	S	45.2	Very low	47.1	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	76%	0.763	S	S	*	*			trans	-65.9	94.5	164	47.4	0	0	0	0	106.7	G159 L163	G159-S161 PolarHBondContact O-N 2.88Å; S161-L163 VanDerWaalsContact C-N 3.29Å; S161-L163 PolarHBondContact O-N 3.09Å
162	Q	49.9	Very low	48.3	Very low	162 Å²	162	140.9 Å²	140.9	76%	0.757	75%	0.749	S	S	*	*			trans	-58.3	96.5	175.1	-176.5	179.7	-3.5	0	0	107.8	I160 V164	I160-Q162 VanDerWaalsContact C-N 3.26Å; I160-Q162 PolarHBondContact O-N 2.86Å; Q162-V164 HydrophobicContact CG-CG2 4.1Å; Q162-V164 PolarHBondContact O-N 3.46Å
163	L	55.3	Low	49.3	Very low	151 Å²	151	142 Å²	142	79%	0.791	74%	0.741	S	S	*	*			trans	-72.2	79.8	177.9	-162.5	164.8	0	0	0	107.1	S161 R165	S161-L163 VanDerWaalsContact C-N 3.29Å; S161-L163 PolarHBondContact O-N 3.09Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 HydrophobicContact CD2-CB 4.43Å; L163-R165 PolarHBondContact O-N 2.74Å
164	V	50.8	Low	50.8	Low	89 Å²	89	140.3 Å²	140.3	54%	0.539	74%	0.737	S	S	.	*			trans	-59	98.3	167.7	177.1	0	0	0	0	105.5	Q162 M166	Q162-V164 HydrophobicContact CG-CG2 4.1Å; Q162-V164 PolarHBondContact O-N 3.46Å; V164-M166 PolarHBondContact O-N 2.94Å
165	R	49.2	Very low	52.4	Low	200 Å²	200	137.1 Å²	137.1	76%	0.755	73%	0.73	S	S	*	*			trans	-67.1	77.5	169.2	-179.5	179.9	-91	165.6	-7.3	107.3	L163 N167	L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 HydrophobicContact CD2-CB 4.43Å; L163-R165 PolarHBondContact O-N 2.74Å; R165-N167 VanDerWaalsContact C-N 3.34Å; R165-N167 PolarHBondContact O-N 2.9Å; R165-N167 PolarHBondContact O-ND2 3.11Å
166	M	47.3	Very low	54.4	Low	158 Å²	158	133 Å²	133	78%	0.778	72%	0.717	S	S	*	*			trans	-52.8	103.7	163.2	59.4	-165.1	79.8	0	0	106.1	V164 S168	V164-M166 PolarHBondContact O-N 2.94Å; M166-S168 PolarHBondContact O-N 3.16Å
167	N	45.3	Very low	56.3	Low	113 Å²	113	132 Å²	132	60%	0.604	71%	0.705	S	S	*	*			trans	-68.7	110.9	-175.5	-93.8	-107.1	0	0	0	106.7	R165 K169	R165-N167 VanDerWaalsContact C-N 3.34Å; R165-N167 PolarHBondContact O-N 2.9Å; R165-N167 PolarHBondContact O-ND2 3.11Å; N167-K169 PolarHBondContact O-N 2.94Å
168	S	52.5	Low	58.5	Low	124 Å²	124	127.3 Å²	127.3	87%	0.867	68%	0.684	S	S	*	*			trans	-74.3	46	177.6	53.2	0	0	0	0	112	M166	M166-S168 PolarHBondContact O-N 3.16Å
169	K	54	Low	60.5	Low	171 Å²	171	127.4 Å²	127.4	74%	0.743	68%	0.676	S	S	*	*			trans	-85.5	133.7	170.9	-75.5	-167.1	171	-171.8	0	109.1	N167	N167-K169 PolarHBondContact O-N 2.94Å
170	E	58.9	Low	62.6	Low	137 Å²	137	128.7 Å²	128.7	64%	0.64	67%	0.673	S	S	*	*			trans	60.1	87.3	176.4	-56.6	-162.7	103.2	0	0	115.8	K172	E170-K172 HydrophobicContact CB-CB 4.48Å; E170-K172 HydrophobicContact CB-CD 4.15Å; E170-K172 HydrophobicContact CB-CG 4.12Å; E170-K172 VanDerWaalsContact CD-CE 3.5Å; E170-K172 PolarHBondContact O-N 2.92Å; E170-K172 WeakPolarHBondContact OE1-CD 3.25Å; E170-K172 WeakPolarHBondContact OE1-CE 3.42Å; E170-K172 IonicContact OE1-NZ 2.89Å; E170-K172 PolarHBondContact OE1-NZ 3.26Å; E170-K172 IonicContact OE2-NZ 3.38Å; E170-K172 PolarHBondContact OE2-NZ 2.86Å
171	K	52	Low	64.3	Low	210 Å²	210	125.5 Å²	125.5	91%	0.913	66%	0.657	S	S	*	*			trans	-68.7	55.5	145.4	-61.3	-179.3	-178.3	179.1	0	110.4
172	K	60.9	Low	66.6	Low	122 Å²	122	122.2 Å²	122.2	53%	0.53	64%	0.641	S	S	.	*			trans	-56.7	144.9	161.7	-90.8	165.1	167.2	150.5	0	107.7	E170 L174	E170-K172 HydrophobicContact CB-CB 4.48Å; E170-K172 HydrophobicContact CB-CD 4.15Å; E170-K172 HydrophobicContact CB-CG 4.12Å; E170-K172 VanDerWaalsContact CD-CE 3.5Å; E170-K172 PolarHBondContact O-N 2.92Å; E170-K172 WeakPolarHBondContact OE1-CD 3.25Å; E170-K172 WeakPolarHBondContact OE1-CE 3.42Å; E170-K172 IonicContact OE1-NZ 2.89Å; E170-K172 PolarHBondContact OE1-NZ 3.26Å; E170-K172 IonicContact OE2-NZ 3.38Å; E170-K172 PolarHBondContact OE2-NZ 2.86Å; K172-L174 VanDerWaalsContact C-N 3.35Å; K172-L174 PolarHBondContact O-N 3.31Å
173	D	61.8	Low	68.8	Low	124 Å²	124	118 Å²	118	66%	0.663	62%	0.622	S	S	*	*			trans	-58.6	88.4	-165	-60.5	-89.4	0	0	0	113.5	G175 T176 L177	D173-G175 PolarHBondContact O-N 2.73Å; D173-T176 PolarHBondContact O-N 3.47Å; D173-L177 PolarHBondContact O-N 2.82Å
174	L	62.5	Low	70.7	Confident	144 Å²	144	113.7 Å²	113.7	75%	0.754	60%	0.602	S	S	*	*	H	α-helix	trans	-67	-28	-164.2	-155	70.7	0	0	0	112.3	K172 G178	K172-L174 VanDerWaalsContact C-N 3.35Å; K172-L174 PolarHBondContact O-N 3.31Å; L174-G178 PolarHBondContact O-N 2.77Å
175	G	73.3	Confident	72.8	Confident	61 Å²	61	114.4 Å²	114.4	63%	0.629	60%	0.601	S	S	*	*	H	α-helix	trans	-67.4	-46.3	170.3	0	0	0	0	0	112.6	D173 G178 Y179	D173-G175 PolarHBondContact O-N 2.73Å; G175-G178 PolarHBondContact O-N 3.46Å; G175-Y179 VanDerWaalsContact O-CB 3.27Å; G175-Y179 WeakPolarHBondContact O-CB 3.2Å; G175-Y179 PolarHBondContact O-N 2.95Å
176	T	82	Confident	75	Confident	89 Å²	89	110.6 Å²	110.6	55%	0.546	59%	0.593	S	S	.	*	H	α-helix	trans	-67.3	-44.9	178.9	-48.9	0	0	0	0	111.3	D173 Y179 V180	D173-T176 PolarHBondContact O-N 3.47Å; T176-Y179 PolarHBondContact O-N 3.16Å; T176-V180 WeakPolarHBondContact O-CG2 3.03Å; T176-V180 PolarHBondContact O-N 2.98Å
177	L	84.1	Confident	77.4	Confident	94 Å²	94	107.2 Å²	107.2	49%	0.492	58%	0.581	S	S	.	*	H	α-helix	trans	-62.7	-44.6	176	-176.6	61.7	0	0	0	111.3	D173 Y179 V180 L181	D173-L177 PolarHBondContact O-N 2.82Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; L177-Y179 PolarHBondContact O-N 2.94Å; L177-V180 PolarHBondContact O-N 3.25Å; L177-L181 HydrophobicContact CD1-CD1 4.29Å; L177-L181 HydrophobicContact CD1-CG 4.47Å; L177-L181 HydrophobicContact CG-CD1 4.09Å; L177-L181 WeakPolarHBondContact O-CB 3.45Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 2.94Å
178	G	89.3	Confident	79.8	Confident	41 Å²	41	105.9 Å²	105.9	42%	0.423	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-37.6	174.7	0	0	0	0	0	113.3	L174 G175 G182	L174-G178 PolarHBondContact O-N 2.77Å; G175-G178 PolarHBondContact O-N 3.46Å; G178-G182 PolarHBondContact O-N 3.49Å
179	Y	91.3	Very high	82	Confident	163 Å²	163	105.5 Å²	105.5	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-44.8	176.2	-177.2	-112.2	0	0	0	112.3	G175 T176 L177 G182 I183	G175-Y179 VanDerWaalsContact O-CB 3.27Å; G175-Y179 WeakPolarHBondContact O-CB 3.2Å; G175-Y179 PolarHBondContact O-N 2.95Å; T176-Y179 PolarHBondContact O-N 3.16Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; L177-Y179 PolarHBondContact O-N 2.94Å; Y179-G182 PolarHBondContact O-N 3.24Å; Y179-I183 HydrophobicContact CD1-CD1 3.91Å; Y179-I183 HydrophobicContact CD2-CD1 4.47Å; Y179-I183 HydrophobicContact CE1-CD1 3.46Å; Y179-I183 VanDerWaalsContact CE1-CD1 3.46Å; Y179-I183 HydrophobicContact CE2-CD1 4.07Å; Y179-I183 HydrophobicContact CG-CD1 4.41Å; Y179-I183 WeakPolarHBondContact O-CG1 3.35Å; Y179-I183 PolarHBondContact O-N 3.02Å
180	V	92.5	Very high	84	Confident	78 Å²	78	102.5 Å²	102.5	47%	0.473	55%	0.552	S	S	.	*	H	α-helix	trans	-63	-44.9	175.8	171.7	0	0	0	0	111.1	T176 L177 G182 I183 T184	T176-V180 WeakPolarHBondContact O-CG2 3.03Å; T176-V180 PolarHBondContact O-N 2.98Å; L177-V180 PolarHBondContact O-N 3.25Å; V180-G182 VanDerWaalsContact C-N 3.34Å; V180-G182 PolarHBondContact O-N 3.42Å; V180-I183 PolarHBondContact O-N 3.33Å; V180-T184 WeakPolarHBondContact O-CG2 3.48Å; V180-T184 PolarHBondContact O-N 3.49Å; V180-T184 PolarHBondContact O-OG1 2.9Å
181	L	91.4	Very high	85.8	Confident	96 Å²	96	99 Å²	99	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-36.8	175.2	-69.8	171.1	0	0	0	112.3	L177 T184 M185	L177-L181 HydrophobicContact CD1-CD1 4.29Å; L177-L181 HydrophobicContact CD1-CG 4.47Å; L177-L181 HydrophobicContact CG-CD1 4.09Å; L177-L181 WeakPolarHBondContact O-CB 3.45Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 2.94Å; L181-T184 PolarHBondContact O-OG1 3.11Å; L181-T184 VanDerWaalsContact O-OG1 3.11Å; L181-M185 WeakPolarHBondContact O-CB 3.29Å; L181-M185 VanDerWaalsContact O-CG 3.24Å; L181-M185 WeakPolarHBondContact O-CG 3.34Å; L181-M185 PolarHBondContact O-N 3.47Å
182	G	95.3	Very high	88	Confident	40 Å²	40	93.9 Å²	93.9	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-63.4	-44	174	0	0	0	0	0	112.7	G178 Y179 V180 M186	G178-G182 PolarHBondContact O-N 3.49Å; Y179-G182 PolarHBondContact O-N 3.24Å; V180-G182 VanDerWaalsContact C-N 3.34Å; V180-G182 PolarHBondContact O-N 3.42Å; G182-M186 WeakPolarHBondContact O-CB 3.44Å; G182-M186 PolarHBondContact O-N 2.69Å
183	I	95.2	Very high	89.8	Confident	73 Å²	73	89.5 Å²	89.5	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-46.6	176.3	-71.7	171.2	0	0	0	111.1	Y179 V180 M185 M186 V187	Y179-I183 HydrophobicContact CD1-CD1 3.91Å; Y179-I183 HydrophobicContact CD2-CD1 4.47Å; Y179-I183 HydrophobicContact CE1-CD1 3.46Å; Y179-I183 VanDerWaalsContact CE1-CD1 3.46Å; Y179-I183 HydrophobicContact CE2-CD1 4.07Å; Y179-I183 HydrophobicContact CG-CD1 4.41Å; Y179-I183 WeakPolarHBondContact O-CG1 3.35Å; Y179-I183 PolarHBondContact O-N 3.02Å; V180-I183 PolarHBondContact O-N 3.33Å; I183-M185 VanDerWaalsContact C-N 3.35Å; I183-M185 PolarHBondContact O-N 2.77Å; I183-M186 PolarHBondContact O-N 3.26Å; I183-V187 HydrophobicContact CG2-CG2 4.27Å; I183-V187 WeakPolarHBondContact O-CG2 3.42Å; I183-V187 PolarHBondContact O-N 2.74Å
184	T	95.2	Very high	91.5	Very high	60 Å²	60	86 Å²	86	37%	0.368	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-40.9	-178.2	57.8	0	0	0	0	111.4	V180 L181 V187 I188	V180-T184 WeakPolarHBondContact O-CG2 3.48Å; V180-T184 PolarHBondContact O-N 3.49Å; V180-T184 PolarHBondContact O-OG1 2.9Å; L181-T184 PolarHBondContact O-OG1 3.11Å; L181-T184 VanDerWaalsContact O-OG1 3.11Å; T184-V187 PolarHBondContact O-N 2.67Å; T184-I188 WeakPolarHBondContact O-CB 3.3Å; T184-I188 WeakPolarHBondContact O-CD1 3.39Å; T184-I188 VanDerWaalsContact O-CG1 3.28Å; T184-I188 WeakPolarHBondContact O-CG1 3.45Å; T184-I188 PolarHBondContact O-N 2.89Å
185	M	95.6	Very high	93.1	Very high	104 Å²	104	81.4 Å²	81.4	51%	0.512	49%	0.493	S	S	.	.	H	α-helix	trans	-60.2	-45.6	171.3	-71.3	-63.2	104.5	0	0	112.4	L181 I183 V187 I188 I189	L181-M185 WeakPolarHBondContact O-CB 3.29Å; L181-M185 VanDerWaalsContact O-CG 3.24Å; L181-M185 WeakPolarHBondContact O-CG 3.34Å; L181-M185 PolarHBondContact O-N 3.47Å; I183-M185 VanDerWaalsContact C-N 3.35Å; I183-M185 PolarHBondContact O-N 2.77Å; M185-V187 PolarHBondContact O-N 3.04Å; M185-I188 HydrophobicContact CE-CD1 3.86Å; M185-I188 PolarHBondContact O-N 2.98Å; M185-I189 WeakPolarHBondContact O-CD1 3.48Å; M185-I189 VanDerWaalsContact O-CG1 3.27Å; M185-I189 WeakPolarHBondContact O-CG1 3.31Å; M185-I189 PolarHBondContact O-N 3.31Å
186	M	95.3	Very high	94.3	Very high	121 Å²	121	83.9 Å²	83.9	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-60.1	-44.9	177.2	178.2	178.9	167.1	0	0	112.1	G182 I183 I189 L190	G182-M186 WeakPolarHBondContact O-CB 3.44Å; G182-M186 PolarHBondContact O-N 2.69Å; I183-M186 PolarHBondContact O-N 3.26Å; M186-I189 PolarHBondContact O-N 2.69Å; M186-L190 HydrophobicContact CE-CD1 3.89Å; M186-L190 HydrophobicContact CG-CD1 4.08Å; M186-L190 VanDerWaalsContact O-CG 3.31Å; M186-L190 WeakPolarHBondContact O-CG 3.42Å; M186-L190 PolarHBondContact O-N 3.29Å
187	V	96.5	Very high	95	Very high	87 Å²	87	85 Å²	85	53%	0.527	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-42.2	178.4	171.5	0	0	0	0	111.3	I183 T184 M185 L190 A191	I183-V187 HydrophobicContact CG2-CG2 4.27Å; I183-V187 WeakPolarHBondContact O-CG2 3.42Å; I183-V187 PolarHBondContact O-N 2.74Å; T184-V187 PolarHBondContact O-N 2.67Å; M185-V187 PolarHBondContact O-N 3.04Å; V187-L190 PolarHBondContact O-N 3.48Å; V187-A191 WeakPolarHBondContact O-CB 3.06Å; V187-A191 PolarHBondContact O-N 3.38Å
188	I	96.9	Very high	95.6	Very high	84 Å²	84	85 Å²	85	43%	0.431	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-45.5	176.8	-72.5	162.3	0	0	0	111.2	T184 M185 L190 A191 I192	T184-I188 WeakPolarHBondContact O-CB 3.3Å; T184-I188 WeakPolarHBondContact O-CD1 3.39Å; T184-I188 VanDerWaalsContact O-CG1 3.28Å; T184-I188 WeakPolarHBondContact O-CG1 3.45Å; T184-I188 PolarHBondContact O-N 2.89Å; M185-I188 HydrophobicContact CE-CD1 3.86Å; M185-I188 PolarHBondContact O-N 2.98Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 3.19Å; I188-A191 PolarHBondContact O-N 3.05Å; I188-I192 HydrophobicContact CG2-CD1 3.77Å; I188-I192 VanDerWaalsContact O-CG1 3.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.37Å; I188-I192 PolarHBondContact O-N 2.91Å
189	I	97.4	Very high	96	Very high	117 Å²	117	85 Å²	85	60%	0.6	50%	0.495	S	S	*	.	H	α-helix	trans	-62	-42.4	178	-68.3	164.1	0	0	0	111	M185 M186 I192 G193	M185-I189 WeakPolarHBondContact O-CD1 3.48Å; M185-I189 VanDerWaalsContact O-CG1 3.27Å; M185-I189 WeakPolarHBondContact O-CG1 3.31Å; M185-I189 PolarHBondContact O-N 3.31Å; M186-I189 PolarHBondContact O-N 2.69Å; I189-I192 PolarHBondContact O-N 3.25Å; I189-G193 PolarHBondContact O-N 2.88Å
190	L	97.4	Very high	96.2	Very high	108 Å²	108	84 Å²	84	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-65.4	-40.5	176.6	-71.5	172.1	0	0	0	112.4	M186 V187 I188 G193 A194	M186-L190 HydrophobicContact CE-CD1 3.89Å; M186-L190 HydrophobicContact CG-CD1 4.08Å; M186-L190 VanDerWaalsContact O-CG 3.31Å; M186-L190 WeakPolarHBondContact O-CG 3.42Å; M186-L190 PolarHBondContact O-N 3.29Å; V187-L190 PolarHBondContact O-N 3.48Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 3.19Å; L190-G193 PolarHBondContact O-N 2.83Å; L190-A194 WeakPolarHBondContact O-CB 3.5Å; L190-A194 PolarHBondContact O-N 3.37Å
191	A	97.1	Very high	96.3	Very high	63 Å²	63	84.1 Å²	84.1	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-64	-43.9	176.7	0	0	0	0	0	112.1	V187 I188 A194 G195	V187-A191 WeakPolarHBondContact O-CB 3.06Å; V187-A191 PolarHBondContact O-N 3.38Å; I188-A191 PolarHBondContact O-N 3.05Å; A191-A194 PolarHBondContact O-N 2.72Å; A191-G195 PolarHBondContact O-N 3.31Å
192	I	97.6	Very high	96.6	Very high	103 Å²	103	88 Å²	88	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-46.1	175.4	-67.1	166.6	0	0	0	110.5	I188 I189 A194 G195 I196	I188-I192 HydrophobicContact CG2-CD1 3.77Å; I188-I192 VanDerWaalsContact O-CG1 3.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.37Å; I188-I192 PolarHBondContact O-N 2.91Å; I189-I192 PolarHBondContact O-N 3.25Å; I192-A194 PolarHBondContact O-N 3.11Å; I192-G195 PolarHBondContact O-N 3.3Å; I192-I196 HydrophobicContact CG2-CD1 3.91Å; I192-I196 WeakPolarHBondContact O-CG1 3.18Å; I192-I196 PolarHBondContact O-N 3.43Å
193	G	97.6	Very high	96.5	Very high	29 Å²	29	94 Å²	94	30%	0.299	52%	0.516	S	S	.	.	H	α-helix	trans	-59.4	-46.7	177.3	0	0	0	0	0	112.7	I189 L190 I196 I197	I189-G193 PolarHBondContact O-N 2.88Å; L190-G193 PolarHBondContact O-N 2.83Å; G193-I196 PolarHBondContact O-N 2.92Å; G193-I197 WeakPolarHBondContact O-CD1 3.49Å; G193-I197 VanDerWaalsContact O-CG1 3.29Å; G193-I197 WeakPolarHBondContact O-CG1 3.17Å; G193-I197 PolarHBondContact O-N 2.03Å
194	A	97.3	Very high	96.5	Very high	52 Å²	52	97.4 Å²	97.4	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-43.7	175.1	0	0	0	0	0	112	L190 A191 I192 I196 I197 V198	L190-A194 WeakPolarHBondContact O-CB 3.5Å; L190-A194 PolarHBondContact O-N 3.37Å; A191-A194 PolarHBondContact O-N 2.72Å; I192-A194 PolarHBondContact O-N 3.11Å; A194-I196 VanDerWaalsContact C-N 3.34Å; A194-I196 PolarHBondContact O-N 3.4Å; A194-I197 PolarHBondContact O-N 3.35Å; A194-V198 WeakPolarHBondContact O-CB 3.05Å; A194-V198 WeakPolarHBondContact O-CG2 3.01Å; A194-V198 PolarHBondContact O-N 3Å
195	G	97.3	Very high	96.4	Very high	46 Å²	46	96.4 Å²	96.4	47%	0.474	53%	0.525	S	S	.	.	H	α-helix	trans	-59	-41.6	176.1	0	0	0	0	0	113.2	A191 I192 G199	A191-G195 PolarHBondContact O-N 3.31Å; I192-G195 PolarHBondContact O-N 3.3Å; G195-G199 PolarHBondContact O-N 2.92Å
196	I	97.7	Very high	96.4	Very high	114 Å²	114	96.9 Å²	96.9	59%	0.585	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-43.3	175.9	-67.2	166.7	0	0	0	111.2	I192 G193 A194 G199 Y200	I192-I196 HydrophobicContact CG2-CD1 3.91Å; I192-I196 WeakPolarHBondContact O-CG1 3.18Å; I192-I196 PolarHBondContact O-N 3.43Å; G193-I196 PolarHBondContact O-N 2.92Å; A194-I196 VanDerWaalsContact C-N 3.34Å; A194-I196 PolarHBondContact O-N 3.4Å; I196-G199 PolarHBondContact O-N 3.37Å; I196-Y200 VanDerWaalsContact O-CB 3.31Å; I196-Y200 WeakPolarHBondContact O-CB 3.28Å; I196-Y200 PolarHBondContact O-N 3.4Å
197	I	97.3	Very high	96.1	Very high	112 Å²	112	95.2 Å²	95.2	57%	0.574	52%	0.518	S	S	*	.	H	α-helix	trans	-64.1	-45.5	178.6	-67.6	163.2	0	0	0	110.8	G193 A194 Y200 T201	G193-I197 WeakPolarHBondContact O-CD1 3.49Å; G193-I197 VanDerWaalsContact O-CG1 3.29Å; G193-I197 WeakPolarHBondContact O-CG1 3.17Å; G193-I197 PolarHBondContact O-N 2.03Å; A194-I197 PolarHBondContact O-N 3.35Å; I197-Y200 PolarHBondContact O-N 2.89Å; I197-T201 WeakPolarHBondContact O-CB 3.48Å; I197-T201 WeakPolarHBondContact O-CG2 3.32Å; I197-T201 PolarHBondContact O-N 3.4Å; I197-T201 PolarHBondContact O-OG1 2.98Å
198	V	97.3	Very high	95.8	Very high	95 Å²	95	95.4 Å²	95.4	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-44.6	176.4	173.3	0	0	0	0	110.9	A194 Y200 T201 Y202	A194-V198 WeakPolarHBondContact O-CB 3.05Å; A194-V198 WeakPolarHBondContact O-CG2 3.01Å; A194-V198 PolarHBondContact O-N 3Å; V198-Y200 PolarHBondContact O-N 3.01Å; V198-T201 WeakPolarHBondContact CA-OG1 3.14Å; V198-T201 PolarHBondContact O-N 3.49Å; V198-T201 PolarHBondContact O-OG1 3.29Å; V198-T201 VanDerWaalsContact O-OG1 3.09Å; V198-Y202 WeakPolarHBondContact O-CB 3.37Å; V198-Y202 PolarHBondContact O-N 3.41Å
199	G	96.8	Very high	95.5	Very high	39 Å²	39	97.4 Å²	97.4	40%	0.402	52%	0.522	S	S	.	.	H	α-helix	trans	-61.1	-42.5	176.2	0	0	0	0	0	113.4	G195 I196 K203	G195-G199 PolarHBondContact O-N 2.92Å; I196-G199 PolarHBondContact O-N 3.37Å; G199-K203 WeakPolarHBondContact O-CB 3.07Å; G199-K203 PolarHBondContact O-N 3.47Å
200	Y	96.7	Very high	95.2	Very high	143 Å²	143	96.6 Å²	96.6	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-67.5	-46.6	177.5	178.7	-97.4	0	0	0	112.2	I196 I197 V198 K203 R204	I196-Y200 VanDerWaalsContact O-CB 3.31Å; I196-Y200 WeakPolarHBondContact O-CB 3.28Å; I196-Y200 PolarHBondContact O-N 3.4Å; I197-Y200 PolarHBondContact O-N 2.89Å; V198-Y200 PolarHBondContact O-N 3.01Å; Y200-K203 PolarHBondContact O-N 2.98Å; Y200-R204 VanDerWaalsContact O-CB 3.31Å; Y200-R204 WeakPolarHBondContact O-CB 3.31Å; Y200-R204 PolarHBondContact O-N 2.99Å
201	T	94.6	Very high	94.7	Very high	81 Å²	81	95.5 Å²	95.5	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-39.7	178	48.9	0	0	0	0	112.2	I197 V198 G205	I197-T201 WeakPolarHBondContact O-CB 3.48Å; I197-T201 WeakPolarHBondContact O-CG2 3.32Å; I197-T201 PolarHBondContact O-N 3.4Å; I197-T201 PolarHBondContact O-OG1 2.98Å; V198-T201 WeakPolarHBondContact CA-OG1 3.14Å; V198-T201 PolarHBondContact O-N 3.49Å; V198-T201 PolarHBondContact O-OG1 3.29Å; V198-T201 VanDerWaalsContact O-OG1 3.09Å; T201-G205 PolarHBondContact O-N 2.79Å
202	Y	96.1	Very high	94.3	Very high	176 Å²	176	99 Å²	99	69%	0.69	51%	0.512	S	S	*	.	H	α-helix	trans	-61.3	-49.1	172.1	179.7	-102.1	0	0	0	111.9	V198 R204 G205 K206	V198-Y202 WeakPolarHBondContact O-CB 3.37Å; V198-Y202 PolarHBondContact O-N 3.41Å; Y202-R204 PolarHBondContact O-N 3.45Å; Y202-G205 PolarHBondContact O-N 2.93Å; Y202-K206 PolarHBondContact O-N 3.17Å
203	K	94.8	Very high	94	Very high	166 Å²	166	99.1 Å²	99.1	72%	0.722	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-40.6	179.3	-172.9	165.3	-177.6	173	0	112.1	G199 Y200 K206 D207	G199-K203 WeakPolarHBondContact O-CB 3.07Å; G199-K203 PolarHBondContact O-N 3.47Å; Y200-K203 PolarHBondContact O-N 2.98Å; K203-K206 PolarHBondContact O-N 2.88Å; K203-D207 PolarHBondContact O-N 3.14Å; K203-D207 VanDerWaalsContact O-N 3.14Å
204	R	94.3	Very high	93.7	Very high	146 Å²	146	105.3 Å²	105.3	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-67.5	-37.3	174.9	-172.9	173.6	179	173.7	-3.1	112.4	Y200 Y202 L208	Y200-R204 VanDerWaalsContact O-CB 3.31Å; Y200-R204 WeakPolarHBondContact O-CB 3.31Å; Y200-R204 PolarHBondContact O-N 2.99Å; Y202-R204 PolarHBondContact O-N 3.45Å; R204-L208 HydrophobicContact CG-CD1 4.22Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 WeakPolarHBondContact O-CG 3.38Å; R204-L208 PolarHBondContact O-N 3.04Å
205	G	94.2	Very high	93.2	Very high	38 Å²	38	107.3 Å²	107.3	39%	0.392	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-38.4	174.1	0	0	0	0	0	112.6	T201 Y202 K209	T201-G205 PolarHBondContact O-N 2.79Å; Y202-G205 PolarHBondContact O-N 2.93Å; G205-K209 WeakPolarHBondContact O-CB 3.4Å; G205-K209 PolarHBondContact O-N 3.42Å
206	K	93.8	Very high	92.7	Very high	114 Å²	114	107 Å²	107	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-47.9	174.3	-178.3	168.7	172.3	172.3	0	112.3	Y202 K203 L208 K209 E210	Y202-K206 PolarHBondContact O-N 3.17Å; K203-K206 PolarHBondContact O-N 2.88Å; K206-L208 PolarHBondContact O-N 3.4Å; K206-K209 WeakPolarHBondContact O-CB 3.38Å; K206-K209 PolarHBondContact O-N 2.86Å; K206-K209 VanDerWaalsContact O-N 3.14Å; K206-E210 WeakPolarHBondContact CE-OE1 3.42Å; K206-E210 IonicContact NZ-OE1 2.73Å; K206-E210 WeakPolarHBondContact O-CG 3.27Å; K206-E210 PolarHBondContact O-N 3.11Å
207	D	90.1	Very high	92.1	Very high	87 Å²	87	105.5 Å²	105.5	47%	0.465	52%	0.52	S	S	.	.	H	α-helix	trans	-58.9	-44.9	176.5	-174.6	94.3	0	0	0	112	K203 K209 E210 Q211	K203-D207 PolarHBondContact O-N 3.14Å; K203-D207 VanDerWaalsContact O-N 3.14Å; D207-K209 VanDerWaalsContact C-N 3.32Å; D207-K209 PolarHBondContact O-N 3.47Å; D207-E210 PolarHBondContact O-N 2.97Å; D207-Q211 WeakPolarHBondContact O-CG 3.41Å; D207-Q211 PolarHBondContact O-N 3.18Å; D207-Q211 PolarHBondContact OD2-NE2 3.49Å; D207-Q211 VanDerWaalsContact OD2-NE2 3.17Å
208	L	89.5	Confident	91.6	Very high	91 Å²	91	105.6 Å²	105.6	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-60.4	-39.2	174.8	-79.9	166	0	0	0	112.7	R204 K206 H212	R204-L208 HydrophobicContact CG-CD1 4.22Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 WeakPolarHBondContact O-CG 3.38Å; R204-L208 PolarHBondContact O-N 3.04Å; K206-L208 PolarHBondContact O-N 3.4Å; L208-H212 WeakPolarHBondContact O-CB 3.08Å; L208-H212 PolarHBondContact O-N 2.82Å
209	K	90.9	Very high	90.7	Very high	126 Å²	126	108.8 Å²	108.8	55%	0.548	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-49.6	176.4	-179.2	178.9	169	179.9	0	111.3	G205 K206 D207 Q211 H212 E213	G205-K209 WeakPolarHBondContact O-CB 3.4Å; G205-K209 PolarHBondContact O-N 3.42Å; K206-K209 WeakPolarHBondContact O-CB 3.38Å; K206-K209 PolarHBondContact O-N 2.86Å; K206-K209 VanDerWaalsContact O-N 3.14Å; D207-K209 VanDerWaalsContact C-N 3.32Å; D207-K209 PolarHBondContact O-N 3.47Å; K209-Q211 VanDerWaalsContact C-N 3.29Å; K209-Q211 PolarHBondContact O-N 3.45Å; K209-H212 WeakPolarHBondContact O-CA 3.36Å; K209-H212 WeakPolarHBondContact O-CB 3.37Å; K209-H212 PolarHBondContact O-N 3.06Å; K209-E213 WeakPolarHBondContact CE-OE1 3.48Å; K209-E213 HydrophobicContact CG-CG 4.47Å; K209-E213 IonicContact NZ-OE1 3.4Å; K209-E213 PolarHBondContact NZ-OE1 3.28Å; K209-E213 PolarHBondContact O-N 3.49Å
210	E	90.8	Very high	89.9	Confident	100 Å²	100	113 Å²	113	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-60.7	-38.3	178.9	-70.9	175.8	177.6	0	0	111.6	K206 D207 K214	K206-E210 WeakPolarHBondContact CE-OE1 3.42Å; K206-E210 IonicContact NZ-OE1 2.73Å; K206-E210 WeakPolarHBondContact O-CG 3.27Å; K206-E210 PolarHBondContact O-N 3.11Å; D207-E210 PolarHBondContact O-N 2.97Å; E210-K214 WeakPolarHBondContact O-CB 3.28Å; E210-K214 PolarHBondContact O-N 2.99Å
211	Q	86.4	Confident	88.4	Confident	85 Å²	85	112.1 Å²	112.1	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-36.7	171	-74.6	-160.4	44.1	0	0	113.7	D207 K209 K215	D207-Q211 WeakPolarHBondContact O-CG 3.41Å; D207-Q211 PolarHBondContact O-N 3.18Å; D207-Q211 PolarHBondContact OD2-NE2 3.49Å; D207-Q211 VanDerWaalsContact OD2-NE2 3.17Å; K209-Q211 VanDerWaalsContact C-N 3.29Å; K209-Q211 PolarHBondContact O-N 3.45Å; Q211-K215 WeakPolarHBondContact O-CB 3.45Å; Q211-K215 WeakPolarHBondContact O-CD 3.29Å; Q211-K215 VanDerWaalsContact O-CG 3.26Å; Q211-K215 WeakPolarHBondContact O-CG 3.4Å; Q211-K215 PolarHBondContact O-N 2.92Å
212	H	88.8	Confident	87	Confident	136 Å²	136	115 Å²	115	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-68.3	-43	177.2	-106.7	-97.9	0	0	0	112.1	L208 K209 K215 A216	L208-H212 WeakPolarHBondContact O-CB 3.08Å; L208-H212 PolarHBondContact O-N 2.82Å; K209-H212 WeakPolarHBondContact O-CA 3.36Å; K209-H212 WeakPolarHBondContact O-CB 3.37Å; K209-H212 PolarHBondContact O-N 3.06Å; H212-K215 PolarHBondContact O-N 3.29Å; H212-A216 WeakPolarHBondContact O-CB 3.42Å; H212-A216 PolarHBondContact O-N 2.97Å
213	E	91.4	Very high	85.3	Confident	106 Å²	106	116.4 Å²	116.4	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-64.9	-42.4	177.1	-70.4	174.4	156.6	0	0	110.8	K209 K215 A216 C217	K209-E213 WeakPolarHBondContact CE-OE1 3.48Å; K209-E213 HydrophobicContact CG-CG 4.47Å; K209-E213 IonicContact NZ-OE1 3.4Å; K209-E213 PolarHBondContact NZ-OE1 3.28Å; K209-E213 PolarHBondContact O-N 3.49Å; E213-K215 PolarHBondContact O-N 2.88Å; E213-A216 PolarHBondContact O-N 3.34Å; E213-C217 PolarHBondContact O-N 3.48Å; E213-C217 VanDerWaalsContact O-N 3.07Å
214	K	91.1	Very high	83.6	Confident	159 Å²	159	115.4 Å²	115.4	69%	0.691	55%	0.545	S	S	*	.	H	α-helix	trans	-59.2	-46.3	172.6	-172	177	-179.2	179	0	112.6	E210 A216 C217 E218	E210-K214 WeakPolarHBondContact O-CB 3.28Å; E210-K214 PolarHBondContact O-N 2.99Å; K214-A216 VanDerWaalsContact C-N 3.28Å; K214-A216 PolarHBondContact O-N 2.94Å; K214-C217 PolarHBondContact O-N 3.42Å; K214-E218 PolarHBondContact O-N 3.47Å
215	K	88.4	Confident	81.8	Confident	93 Å²	93	113.3 Å²	113.3	40%	0.404	55%	0.548	S	S	.	.	H	α-helix	trans	-71.5	-17.7	178.5	-73.2	166.1	-177.6	158.2	0	113.5	Q211 H212 E213 R219	Q211-K215 WeakPolarHBondContact O-CB 3.45Å; Q211-K215 WeakPolarHBondContact O-CD 3.29Å; Q211-K215 VanDerWaalsContact O-CG 3.26Å; Q211-K215 WeakPolarHBondContact O-CG 3.4Å; Q211-K215 PolarHBondContact O-N 2.92Å; H212-K215 PolarHBondContact O-N 3.29Å; E213-K215 PolarHBondContact O-N 2.88Å; K215-R219 WeakPolarHBondContact O-CG 3.24Å; K215-R219 PolarHBondContact O-NE 2.95Å
216	A	85.1	Confident	80.2	Confident	41 Å²	41	116.6 Å²	116.6	34%	0.339	56%	0.556	S	S	.	*	H	α-helix	trans	-76.3	-52.3	169.9	0	0	0	0	0	110.4	H212 E213 K214 E218 R219 E220	H212-A216 WeakPolarHBondContact O-CB 3.42Å; H212-A216 PolarHBondContact O-N 2.97Å; E213-A216 PolarHBondContact O-N 3.34Å; K214-A216 VanDerWaalsContact C-N 3.28Å; K214-A216 PolarHBondContact O-N 2.94Å; A216-E218 VanDerWaalsContact C-N 3.3Å; A216-E218 PolarHBondContact O-N 2.97Å; A216-R219 PolarHBondContact O-N 3.28Å; A216-E220 PolarHBondContact O-N 3.28Å; A216-E220 VanDerWaalsContact O-N 3.13Å
217	C	85.1	Confident	78.4	Confident	82 Å²	82	115 Å²	115	55%	0.554	56%	0.558	S	S	*	*	H	α-helix	trans	-55.1	-41.9	177	-179.2	0	0	0	0	112.7	E213 K214 R219 E220 M221	E213-C217 PolarHBondContact O-N 3.48Å; E213-C217 VanDerWaalsContact O-N 3.07Å; K214-C217 PolarHBondContact O-N 3.42Å; C217-R219 VanDerWaalsContact C-N 3.33Å; C217-R219 PolarHBondContact O-N 2.87Å; C217-E220 PolarHBondContact O-N 2.88Å; C217-E220 VanDerWaalsContact O-N 3.16Å; C217-M221 PolarHBondContact O-N 2.73Å
218	E	86.6	Confident	76.4	Confident	114 Å²	114	118.4 Å²	118.4	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-57.7	-40.7	176.1	-175.1	172.1	-156.7	0	0	113.1	K214 A216 Q222	K214-E218 PolarHBondContact O-N 3.47Å; A216-E218 VanDerWaalsContact C-N 3.3Å; A216-E218 PolarHBondContact O-N 2.97Å; E218-Q222 WeakPolarHBondContact O-CG 2.92Å; E218-Q222 PolarHBondContact O-N 2.73Å
219	R	80.1	Confident	74.7	Confident	161 Å²	161	118.5 Å²	118.5	61%	0.608	58%	0.583	S	S	*	*	H	α-helix	trans	-72.5	-32.2	176.8	-65.3	171.7	-167.8	152	2.2	112.8	K215 A216 C217 R223	K215-R219 WeakPolarHBondContact O-CG 3.24Å; K215-R219 PolarHBondContact O-NE 2.95Å; A216-R219 PolarHBondContact O-N 3.28Å; C217-R219 VanDerWaalsContact C-N 3.33Å; C217-R219 PolarHBondContact O-N 2.87Å; R219-R223 PolarHBondContact O-N 3.19Å
220	E	79.6	Confident	72.8	Confident	127 Å²	127	115.5 Å²	115.5	59%	0.593	58%	0.582	S	S	*	*	H	α-helix	trans	-70.1	-41.5	175.5	-68.8	-175.5	161.3	0	0	110.7	A216 C217 Q222 R223	A216-E220 PolarHBondContact O-N 3.28Å; A216-E220 VanDerWaalsContact O-N 3.13Å; C217-E220 PolarHBondContact O-N 2.88Å; C217-E220 VanDerWaalsContact O-N 3.16Å; E220-Q222 VanDerWaalsContact C-N 3.34Å; E220-Q222 PolarHBondContact O-N 2.95Å; E220-R223 WeakPolarHBondContact O-CB 3.27Å; E220-R223 PolarHBondContact O-N 3.08Å; E220-R223 VanDerWaalsContact O-N 3.1Å
221	M	65.9	Low	71	Confident	126 Å²	126	119.1 Å²	119.1	62%	0.621	60%	0.596	S	S	*	*	H	α-helix	trans	-61	-41.7	172.6	-164	176.4	75.7	0	0	111.8	C217 R223 I224 T225	C217-M221 PolarHBondContact O-N 2.73Å; M221-R223 PolarHBondContact O-N 2.98Å; M221-I224 PolarHBondContact O-N 2.9Å; M221-I224 VanDerWaalsContact O-N 3.11Å; M221-T225 PolarHBondContact O-N 3.02Å; M221-T225 PolarHBondContact O-OG1 2.81Å
222	Q	64.1	Low	69.4	Low	141 Å²	141	120.1 Å²	120.1	66%	0.659	61%	0.609	S	S	*	*	H	α-helix	trans	-62.3	-22.9	174.4	-79.4	-170.1	-40.6	0	0	114.5	E218 E220	E218-Q222 WeakPolarHBondContact O-CG 2.92Å; E218-Q222 PolarHBondContact O-N 2.73Å; E220-Q222 VanDerWaalsContact C-N 3.34Å; E220-Q222 PolarHBondContact O-N 2.95Å
223	R	61.2	Low	67.5	Low	205 Å²	205	119 Å²	119	77%	0.774	61%	0.607	S	S	*	*	H	α-helix	trans	-76	-26.6	173.6	-76	-176.8	174.6	-179.9	-1	113.4	R219 E220 M221	R219-R223 PolarHBondContact O-N 3.19Å; E220-R223 WeakPolarHBondContact O-CB 3.27Å; E220-R223 PolarHBondContact O-N 3.08Å; E220-R223 VanDerWaalsContact O-N 3.1Å; M221-R223 PolarHBondContact O-N 2.98Å
224	I	58.6	Low	65.7	Low	145 Å²	145	119.8 Å²	119.8	74%	0.744	62%	0.622	S	S	*	*	H	α-helix	trans	-83.9	-36.1	-178.9	-59.5	174.9	0	0	0	109.9	M221 L226	M221-I224 PolarHBondContact O-N 2.9Å; M221-I224 VanDerWaalsContact O-N 3.11Å; I224-L226 PolarHBondContact O-N 2.8Å
225	T	55.3	Low	63.6	Low	102 Å²	102	117.7 Å²	117.7	63%	0.626	62%	0.622	S	S	*	*			trans	-78	65.3	173.8	-44	0	0	0	0	111.8	M221	M221-T225 PolarHBondContact O-N 3.02Å; M221-T225 PolarHBondContact O-OG1 2.81Å
226	L	62.5	Low	61.8	Low	108 Å²	108	118.4 Å²	118.4	57%	0.565	64%	0.638	S	S	*	*			trans	-57.7	141.1	154.8	-82.6	94.6	0	0	0	108.4	I224 L228	I224-L226 PolarHBondContact O-N 2.8Å; L226-L228 PolarHBondContact O-N 3.05Å
227	P	53.9	Low	59.8	Low	80 Å²	80	124.9 Å²	124.9	52%	0.519	66%	0.661	S	S	.	*			trans	-65.4	135.6	179	29	-35	0	0	0	109.7	S229 A230	P227-S229 PolarHBondContact O-N 2.9Å; P227-A230 VanDerWaalsContact O-CB 3.29Å; P227-A230 WeakPolarHBondContact O-CB 3.49Å; P227-A230 PolarHBondContact O-N 2.73Å
228	L	50.1	Low	58.2	Low	159 Å²	159	127.3 Å²	127.3	83%	0.832	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-59.2	-19.3	-179.1	-75.4	163	0	0	0	113.5	L226 A230 F231	L226-L228 PolarHBondContact O-N 3.05Å; L228-A230 PolarHBondContact O-N 2.83Å; L228-F231 PolarHBondContact O-N 2.76Å
229	S	52.6	Low	56.4	Low	92 Å²	92	127.7 Å²	127.7	64%	0.643	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-67.3	-10.4	170.7	52.9	0	0	0	0	114.7	P227 F231 T232	P227-S229 PolarHBondContact O-N 2.9Å; S229-F231 VanDerWaalsContact C-N 3.3Å; S229-T232 PolarHBondContact O-OG1 2.92Å
230	A	52.2	Low	55.1	Low	63 Å²	63	126.2 Å²	126.2	52%	0.521	69%	0.687	S	S	.	*	G	3₁₀ helix	trans	-77.9	-12.7	174	0	0	0	0	0	113.6	P227 L228	P227-A230 VanDerWaalsContact O-CB 3.29Å; P227-A230 WeakPolarHBondContact O-CB 3.49Å; P227-A230 PolarHBondContact O-N 2.73Å; L228-A230 PolarHBondContact O-N 2.83Å
231	F	52.3	Low	54	Low	176 Å²	176	128.5 Å²	128.5	77%	0.772	70%	0.698	S	S	*	*	S	Bend	trans	-116.4	-4	-176.7	-83.2	-82.3	0	0	0	114.7	L228 S229 N233	L228-F231 PolarHBondContact O-N 2.76Å; S229-F231 VanDerWaalsContact C-N 3.3Å; F231-N233 VanDerWaalsContact C-N 3.33Å; F231-N233 PolarHBondContact O-N 2.74Å
232	T	53.2	Low	53.1	Low	107 Å²	107	127.6 Å²	127.6	66%	0.656	70%	0.696	S	S	*	*			trans	-79.4	78.2	175.4	51.8	0	0	0	0	111.4	S229 P234	S229-T232 PolarHBondContact O-OG1 2.92Å; T232-P234 WeakPolarHBondContact O-CD 3.34Å
233	N	47.7	Very low	52.4	Low	112 Å²	112	126.3 Å²	126.3	60%	0.599	70%	0.698	S	S	*	*			trans	-77.5	118.1	165.8	-177.8	-5.2	0	0	0	109.2	F231 T235	F231-N233 VanDerWaalsContact C-N 3.33Å; F231-N233 PolarHBondContact O-N 2.74Å; N233-T235 PolarHBondContact O-N 3.45Å; N233-T235 PolarHBondContact OD1-N 2.73Å; N233-T235 PolarHBondContact OD1-OG1 2.77Å
234	P	54.9	Low	51.8	Low	123 Å²	123	123.3 Å²	123.3	80%	0.799	70%	0.695	S	S	*	*			trans	-74.6	-9.2	-178.6	31.4	-35.9	0	0	0	113.9	T232 C236	T232-P234 WeakPolarHBondContact O-CD 3.34Å; P234-C236 VanDerWaalsContact C-N 3.32Å; P234-C236 PolarHBondContact O-N 3.38Å; P234-C236 VanDerWaalsContact O-N 3.13Å
235	T	47.3	Very low	51.5	Low	114 Å²	114	123.6 Å²	123.6	70%	0.699	70%	0.697	S	S	*	*			trans	-91.1	58.5	-173.6	-41.7	0	0	0	0	112.3	N233	N233-T235 PolarHBondContact O-N 3.45Å; N233-T235 PolarHBondContact OD1-N 2.73Å; N233-T235 PolarHBondContact OD1-OG1 2.77Å
236	C	50.4	Low	51	Low	109 Å²	109	124.6 Å²	124.6	74%	0.736	70%	0.703	S	S	*	*			trans	-128.7	64.6	165.2	-83	0	0	0	0	109.4	P234 T238	P234-C236 VanDerWaalsContact C-N 3.32Å; P234-C236 PolarHBondContact O-N 3.38Å; P234-C236 VanDerWaalsContact O-N 3.13Å; C236-T238 PolarHBondContact O-N 3.4Å
237	E	42.4	Very low	50	Low	177 Å²	177	127.3 Å²	127.3	83%	0.827	71%	0.712	S	S	*	*			trans	-68.2	104.7	168.2	-177.6	171.1	-150.6	0	0	108.8	V239	E237-V239 PolarHBondContact O-N 3.15Å
238	T	50.6	Low	50	Low	133 Å²	133	129.2 Å²	129.2	82%	0.816	73%	0.728	S	S	*	*			trans	-75	94.8	176.1	51	0	0	0	0	109.6	C236 D240	C236-T238 PolarHBondContact O-N 3.4Å; T238-D240 PolarHBondContact O-N 3.05Å
239	V	49	Very low	49.6	Very low	122 Å²	122	127.8 Å²	127.8	74%	0.739	72%	0.721	S	S	*	*			trans	-61	125.8	167.9	173.9	0	0	0	0	109.2	E237 E241	E237-V239 PolarHBondContact O-N 3.15Å; V239-E241 PolarHBondContact O-N 3.37Å; V239-E241 VanDerWaalsContact O-N 3.17Å
240	D	53.7	Low	49	Very low	130 Å²	130	132 Å²	132	70%	0.695	73%	0.73	S	S	*	*			trans	-75.1	93.1	174.4	178.9	48.3	0	0	0	109.9	T238 N242	T238-D240 PolarHBondContact O-N 3.05Å; D240-N242 PolarHBondContact O-N 2.99Å
241	E	56.5	Low	48.4	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	74%	0.741	S	S	*	*			trans	-82.9	106.6	176.6	-167.2	164.3	-179.2	0	0	111	V239	V239-E241 PolarHBondContact O-N 3.37Å; V239-E241 VanDerWaalsContact O-N 3.17Å
242	N	47.3	Very low	48.2	Very low	106 Å²	106	131.7 Å²	131.7	57%	0.567	74%	0.738	S	S	*	*			trans	-64.3	137.8	-170.3	-103.9	-74.5	0	0	0	114.7	D240 I244	D240-N242 PolarHBondContact O-N 2.99Å; N242-I244 PolarHBondContact O-N 3.2Å
243	T	48.7	Very low	47.6	Very low	114 Å²	114	131 Å²	131	70%	0.699	74%	0.744	S	S	*	*			trans	2.7	97	146.9	48.9	0	0	0	0	117.9
244	I	49.8	Very low	47.2	Very low	142 Å²	142	132.8 Å²	132.8	73%	0.728	75%	0.753	S	S	*	*			trans	-97.1	90	160.2	-57.2	-177.6	0	0	0	109.2	N242 V246	N242-I244 PolarHBondContact O-N 3.2Å; I244-V246 HydrophobicContact CG2-CG2 3.84Å
245	I	50.9	Low	46.6	Very low	152 Å²	152	131.6 Å²	131.6	78%	0.779	74%	0.744	S	S	*	*			trans	-93.3	101.7	164.6	-61.2	174.8	0	0	0	107.8
246	V	46	Very low	46.2	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	75%	0.751	S	S	*	*			trans	-123.1	135.3	169.9	178.9	0	0	0	0	109.1	I244	I244-V246 HydrophobicContact CG2-CG2 3.84Å
247	H	41.1	Very low	45.6	Very low	164 Å²	164	142.2 Å²	142.2	76%	0.759	78%	0.775	S	S	*	*			trans	-55.7	134.7	-171.9	-80	26.6	0	0	0	113.8
248	S	52.6	Low	45.7	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	77%	0.772	S	S	*	*			trans	-102.8	111.1	145	-177.8	0	0	0	0	107.8
249	N	41.6	Very low	45.5	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	77%	0.77	S	S	*	*			trans	-164.6	142.6	174.9	-117.3	-37	0	0	0	110.2
250	Q	41.5	Very low	45.3	Very low	179 Å²	179	141.9 Å²	141.9	84%	0.836	77%	0.771	S	S	*	*			trans	69.9	136.9	165.7	-68.5	-171.4	2.9	0	0	118.6
251	T	38.3	Very low	44.8	Very low	122 Å²	122	142.6 Å²	142.6	75%	0.748	78%	0.776	S	S	*	*			cis	-147.9	-147	-25.3	-27.5	0	0	0	0	110
252	P	49.4	Very low	44.1	Very low	111 Å²	111	140.6 Å²	140.6	72%	0.721	77%	0.773	S	S	*	*			trans	-121.5	-163	-149.3	46.2	-26.8	0	0	0	115.2
253	A	39.6	Very low	43.8	Very low	94 Å²	94	142.9 Å²	142.9	78%	0.777	79%	0.787	S	S	*	*			trans	73.1	149.4	158.1	0	0	0	0	0	117.6
254	D	39.2	Very low	43.5	Very low	148 Å²	148	145 Å²	145	79%	0.791	79%	0.793	S	S	*	*			cis	-171.6	175.7	-17	-176.2	18.1	0	0	0	108
255	V	42	Very low	43	Very low	98 Å²	98	145.2 Å²	145.2	59%	0.594	80%	0.798	S	S	*	*			trans	79.9	119	158.1	-168.1	0	0	0	0	120.8
256	Q	39.5	Very low	42.4	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	80%	0.8	S	S	*	*			trans	63.1	155.8	153.2	-70.5	159.4	-6.4	0	0	119.4
257	E	37.4	Very low	42	Very low	263 Å²	263	146.6 Å²	146.6	100%	1.229	81%	0.805	S	S	*	*			cis	-119.3	0	7	-172.9	176.9	122.1	0	0	112.4

Retrieved 257 of 257 residues in 497.6 ms (Link to these results)

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