A0A087WQI7_MOUSE Loading...

RIKEN cDNA B020011L13 gene

AlphaFold DB , UniProt , Accession A0A087WQI7, Species MOUSE (Mus musculus, Mouse), Gene B020011L13Rik, Length 412 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	35.7	Very low	45.9	Very low	245 Å²	245	119.3 Å²	119.3	100%	1.207	67%	0.674	S	S	*	*				0	95.3	0	-73.1	174.2	173.6	0	0	107.2	S3	M1-S3 PolarHBondContact O-N 3.05Å
2	A	37.1	Very low	47.4	Very low	102 Å²	102	118 Å²	118	84%	0.843	66%	0.664	S	S	*	*			trans	-76.7	105.1	176.6	0	0	0	0	0	107.9	C4	A2-C4 PolarHBondContact O-N 3.37Å
3	S	34.4	Very low	48.7	Very low	102 Å²	102	112 Å²	112	71%	0.713	63%	0.632	S	S	*	*			trans	-69.7	97.6	167.3	171.8	0	0	0	0	107	M1 Q5	M1-S3 PolarHBondContact O-N 3.05Å; S3-Q5 PolarHBondContact O-N 3.36Å
4	C	36.4	Very low	50.1	Low	113 Å²	113	105.3 Å²	105.3	76%	0.764	60%	0.597	S	S	*	*			trans	-63.9	89.3	163.8	-97.4	0	0	0	0	107.6	A2 V6	A2-C4 PolarHBondContact O-N 3.37Å; C4-V6 HydrophobicContact CB-CG2 4.42Å; C4-V6 PolarHBondContact O-N 2.88Å
5	Q	36.4	Very low	51.4	Low	136 Å²	136	105.5 Å²	105.5	64%	0.636	60%	0.595	S	S	*	*			trans	-67	95.2	156.5	-84.6	174.6	-27.4	0	0	105.9	S3 L7	S3-Q5 PolarHBondContact O-N 3.36Å; Q5-L7 PolarHBondContact O-N 2.78Å; Q5-L7 VanDerWaalsContact O-N 3.13Å
6	V	47.6	Very low	52.8	Low	118 Å²	118	107.7 Å²	107.7	72%	0.715	60%	0.599	S	S	*	*			trans	-68.6	108.5	171.5	179.5	0	0	0	0	106.1	C4 L8	C4-V6 HydrophobicContact CB-CG2 4.42Å; C4-V6 PolarHBondContact O-N 2.88Å; V6-L8 PolarHBondContact O-N 3.03Å; V6-L8 VanDerWaalsContact O-N 3.16Å
7	L	45.9	Very low	54	Low	139 Å²	139	106.3 Å²	106.3	73%	0.728	59%	0.585	S	S	*	*			trans	-61.4	114.1	174.2	-154.2	92.1	0	0	0	107.6	Q5	Q5-L7 PolarHBondContact O-N 2.78Å; Q5-L7 VanDerWaalsContact O-N 3.13Å
8	L	51.1	Low	55.4	Low	73 Å²	73	102.9 Å²	102.9	38%	0.382	57%	0.57	S	S	.	*			trans	-72.6	127.6	174.2	-82	161.7	0	0	0	108.4	V6 D12 L44	V6-L8 PolarHBondContact O-N 3.03Å; V6-L8 VanDerWaalsContact O-N 3.16Å; L8-D12 HydrophobicContact CD2-CB 4.25Å; L8-L44 HydrophobicContact CB-CD2 3.98Å
9	T	63.5	Low	56.3	Low	62 Å²	62	105.8 Å²	105.8	38%	0.38	58%	0.577	S	S	.	*			trans	-99	160.6	173.7	69.7	0	0	0	0	110.5	M11 D12	T9-M11 PolarHBondContact O-N 3.04Å; T9-M11 PolarHBondContact OG1-N 3.22Å; T9-D12 PolarHBondContact N-OD2 2.96Å; T9-D12 WeakPolarHBondContact O-CB 3.38Å; T9-D12 PolarHBondContact O-N 3.45Å; T9-D12 PolarHBondContact OG1-N 3.24Å; T9-D12 PolarHBondContact OG1-OD2 3.01Å
10	F	57.4	Low	57.2	Low	90 Å²	90	107.4 Å²	107.4	40%	0.395	58%	0.58	S	S	.	*	H	α-helix	trans	-55.4	-35	170.6	-179.1	-101.7	0	0	0	112.3	D12 V13 A14 M37 Y41 L44	F10-D12 PolarHBondContact O-N 3.4Å; F10-V13 PolarHBondContact O-N 2.76Å; F10-V13 VanDerWaalsContact O-N 3.11Å; F10-A14 HydrophobicContact CD1-CB 3.93Å; F10-A14 HydrophobicContact CE1-CB 3.61Å; F10-A14 HydrophobicContact CZ-CB 3.96Å; F10-A14 WeakPolarHBondContact O-CB 3.26Å; F10-A14 PolarHBondContact O-N 2.92Å; F10-M37 HydrophobicContact CZ-SD 4.32Å; F10-Y41 HydrophobicContact CD2-CD2 4.32Å; F10-Y41 HydrophobicContact CE2-CD2 4.48Å; F10-L44 VanDerWaalsContact CA-CD1 3.43Å; F10-L44 HydrophobicContact CB-CD1 3.9Å; F10-L44 HydrophobicContact CD2-CD1 3.73Å; F10-L44 HydrophobicContact CG-CD1 4.29Å
11	M	59.2	Low	58.1	Low	132 Å²	132	107.1 Å²	107.1	65%	0.65	58%	0.575	S	S	*	*	H	α-helix	trans	-64.2	-26.3	178.4	-58.2	-164.1	82.1	0	0	113	T9 V13 E16	T9-M11 PolarHBondContact O-N 3.04Å; T9-M11 PolarHBondContact OG1-N 3.22Å; M11-V13 VanDerWaalsContact C-N 3.26Å; M11-V13 PolarHBondContact O-N 3.15Å; M11-E16 WeakPolarHBondContact CE-OE1 3.34Å
12	D	64.6	Low	60.3	Low	104 Å²	104	99 Å²	99	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-74.4	-18.6	177.9	-60.4	-54.7	0	0	0	113.1	L8 T9 F10	L8-D12 HydrophobicContact CD2-CB 4.25Å; T9-D12 PolarHBondContact N-OD2 2.96Å; T9-D12 WeakPolarHBondContact O-CB 3.38Å; T9-D12 PolarHBondContact O-N 3.45Å; T9-D12 PolarHBondContact OG1-N 3.24Å; T9-D12 PolarHBondContact OG1-OD2 3.01Å; F10-D12 PolarHBondContact O-N 3.4Å
13	V	63.2	Low	62.4	Low	40 Å²	40	100.4 Å²	100.4	24%	0.242	52%	0.52	C	S	.	.	H	α-helix	trans	-116.9	-21.8	-175.7	-158.2	0	0	0	0	111.9	F10 M11 N40 L44	F10-V13 PolarHBondContact O-N 2.76Å; F10-V13 VanDerWaalsContact O-N 3.11Å; M11-V13 VanDerWaalsContact C-N 3.26Å; M11-V13 PolarHBondContact O-N 3.15Å; V13-N40 HydrophobicContact CB-CB 4.48Å; V13-N40 HydrophobicContact CG1-CB 3.97Å; V13-N40 PolarHBondContact O-ND2 3.01Å; V13-L44 HydrophobicContact CB-CD1 4.44Å; V13-L44 HydrophobicContact CG2-CD1 4.19Å; V13-L44 HydrophobicContact CG2-CD2 4.09Å; V13-L44 HydrophobicContact CG2-CG 4.42Å
14	A	69.1	Low	64.9	Low	18 Å²	18	100.7 Å²	100.7	15%	0.149	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-64.8	138.7	175.5	0	0	0	0	0	110.5	F10 M37	F10-A14 HydrophobicContact CD1-CB 3.93Å; F10-A14 HydrophobicContact CE1-CB 3.61Å; F10-A14 HydrophobicContact CZ-CB 3.96Å; F10-A14 WeakPolarHBondContact O-CB 3.26Å; F10-A14 PolarHBondContact O-N 2.92Å; A14-M37 HydrophobicContact CB-SD 4.29Å
15	L	70.2	Confident	67	Low	108 Å²	108	96.6 Å²	96.6	57%	0.565	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-97.2	119.7	164.3	-67.5	169	0	0	0	105.4	Y33 M37	L15-Y33 HydrophobicContact CB-CE2 4.4Å; L15-Y33 WeakPolarHBondContact O-CE2 3.48Å; L15-Y33 PolarHBondContact O-OH 2.99Å; L15-M37 HydrophobicContact CB-CE 3.64Å; L15-M37 HydrophobicContact CD1-CE 4.3Å; L15-M37 HydrophobicContact CG-CE 4.11Å; L15-M37 VanDerWaalsContact N-CE 3.34Å
16	E	73.3	Confident	69.5	Low	141 Å²	141	94.1 Å²	94.1	66%	0.659	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-95.6	135.2	174.5	-67.6	-177.3	173	0	0	109.1	M11	M11-E16 WeakPolarHBondContact CE-OE1 3.34Å
17	F	72.3	Confident	71.1	Confident	84 Å²	84	93.4 Å²	93.4	37%	0.368	48%	0.482	S	S	.	.			trans	-104.9	137.6	169.4	-77.6	-71	0	0	0	108.7	E21 W22 L25 Y33	F17-E21 HydrophobicContact CB-CB 4.31Å; F17-E21 HydrophobicContact CD1-CB 3.71Å; F17-E21 HydrophobicContact CG-CB 4.46Å; F17-W22 HydrophobicContact CB-CB 4.5Å; F17-W22 HydrophobicContact CB-CE3 4.27Å; F17-W22 AromaticContact CD2-CE3 4Å; F17-W22 HydrophobicContact CD2-CE3 4Å; F17-W22 HydrophobicContact CD2-CZ3 4.18Å; F17-W22 HydrophobicContact CG-CE3 4.38Å; F17-L25 HydrophobicContact CD2-CD1 4.11Å; F17-L25 HydrophobicContact CE1-CD1 4.39Å; F17-L25 HydrophobicContact CE2-CD1 3.88Å; F17-L25 HydrophobicContact CG-CD1 4.45Å; F17-L25 HydrophobicContact CZ-CD1 4.03Å; F17-L25 HydrophobicContact CZ-CD2 4.44Å; F17-Y33 AromaticContact CD2-CD2 3.74Å; F17-Y33 HydrophobicContact CD2-CD2 3.74Å; F17-Y33 AromaticContact CD2-CE2 3.53Å; F17-Y33 HydrophobicContact CD2-CE2 3.53Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.4Å; F17-Y33 HydrophobicContact CE2-CD2 3.4Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.4Å; F17-Y33 AromaticContact CE2-CE2 3.65Å; F17-Y33 HydrophobicContact CE2-CE2 3.65Å; F17-Y33 HydrophobicContact CE2-CG 4.18Å
18	S	79.8	Confident	72.7	Confident	45 Å²	45	90.1 Å²	90.1	32%	0.315	48%	0.475	S	S	.	.			trans	-63	161.8	162.6	61.1	0	0	0	0	110.6	E20 E21 W22	S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 WeakPolarHBondContact CB-OE2 3.34Å; S18-E20 PolarHBondContact O-N 3.46Å; S18-E20 PolarHBondContact OG-OE2 3.21Å; S18-E21 WeakPolarHBondContact CB-OE2 3.12Å; S18-E21 PolarHBondContact N-OE2 3.34Å; S18-E21 PolarHBondContact O-N 3.3Å; S18-E21 WeakPolarHBondContact OG-CB 3.39Å; S18-E21 WeakPolarHBondContact OG-CG 3.46Å; S18-E21 PolarHBondContact OG-N 2.98Å; S18-E21 PolarHBondContact OG-OE2 3.48Å; S18-W22 PolarHBondContact O-N 3.44Å
19	K	72.6	Confident	74.2	Confident	158 Å²	158	90.8 Å²	90.8	69%	0.687	48%	0.477	S	S	*	.	H	α-helix	trans	-61.2	-39.1	178.7	-171.9	178.7	176	-174.8	0	111.1	W22 E23	K19-W22 PolarHBondContact O-N 3.11Å; K19-E23 PolarHBondContact O-N 2.92Å
20	E	73.4	Confident	75.2	Confident	138 Å²	138	91.7 Å²	91.7	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-65.4	-41.4	177.7	-56.7	85.3	-172.4	0	0	111.9	S18 E23 C24	S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 WeakPolarHBondContact CB-OE2 3.34Å; S18-E20 PolarHBondContact O-N 3.46Å; S18-E20 PolarHBondContact OG-OE2 3.21Å; E20-E23 PolarHBondContact O-N 2.93Å; E20-C24 PolarHBondContact O-N 3.04Å; E20-C24 PolarHBondContact O-SG 3.37Å
21	E	77.2	Confident	76.3	Confident	101 Å²	101	89.7 Å²	89.7	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-66.7	-38	177.4	-71.5	167.1	139.6	0	0	111.9	F17 S18 E23 C24	F17-E21 HydrophobicContact CB-CB 4.31Å; F17-E21 HydrophobicContact CD1-CB 3.71Å; F17-E21 HydrophobicContact CG-CB 4.46Å; S18-E21 WeakPolarHBondContact CB-OE2 3.12Å; S18-E21 PolarHBondContact N-OE2 3.34Å; S18-E21 PolarHBondContact O-N 3.3Å; S18-E21 WeakPolarHBondContact OG-CB 3.39Å; S18-E21 WeakPolarHBondContact OG-CG 3.46Å; S18-E21 PolarHBondContact OG-N 2.98Å; S18-E21 PolarHBondContact OG-OE2 3.48Å; E21-E23 VanDerWaalsContact C-N 3.31Å; E21-E23 PolarHBondContact O-N 3.17Å; E21-C24 WeakPolarHBondContact O-CB 3.42Å; E21-C24 PolarHBondContact O-N 3.26Å
22	W	81.9	Confident	77.2	Confident	76 Å²	76	88.7 Å²	88.7	29%	0.288	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-35.7	179.1	-172.5	-101.7	0	0	0	112.9	F17 S18 K19 C24 L25 R30 Y33	F17-W22 HydrophobicContact CB-CB 4.5Å; F17-W22 HydrophobicContact CB-CE3 4.27Å; F17-W22 AromaticContact CD2-CE3 4Å; F17-W22 HydrophobicContact CD2-CE3 4Å; F17-W22 HydrophobicContact CD2-CZ3 4.18Å; F17-W22 HydrophobicContact CG-CE3 4.38Å; S18-W22 PolarHBondContact O-N 3.44Å; K19-W22 PolarHBondContact O-N 3.11Å; W22-C24 VanDerWaalsContact C-N 3.27Å; W22-C24 PolarHBondContact O-N 3.28Å; W22-L25 HydrophobicContact CD2-CD1 4.4Å; W22-L25 HydrophobicContact CE3-CD1 3.67Å; W22-L25 HydrophobicContact CZ3-CD1 3.91Å; W22-L25 PolarHBondContact O-N 3.5Å; W22-R30 HydrophobicContact CH2-CB 4.23Å; W22-R30 HydrophobicContact CH2-CG 4.06Å; W22-R30 HydrophobicContact CZ2-CB 4.27Å; W22-R30 HydrophobicContact CZ2-CG 3.88Å; W22-R30 PolarHBondContact O-NE 3.05Å; W22-R30 PolarHBondContact O-NH2 3.25Å; W22-Y33 AromaticContact CH2-CD1 3.47Å; W22-Y33 HydrophobicContact CH2-CD1 3.47Å; W22-Y33 VanDerWaalsContact CH2-CD1 3.47Å; W22-Y33 AromaticContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CG 4.17Å; W22-Y33 AromaticContact CZ3-CD1 3.32Å; W22-Y33 HydrophobicContact CZ3-CD1 3.32Å; W22-Y33 HydrophobicContact CZ3-CD2 4.41Å; W22-Y33 AromaticContact CZ3-CE1 3.61Å; W22-Y33 HydrophobicContact CZ3-CE1 3.61Å; W22-Y33 AromaticContact CZ3-CG 3.73Å; W22-Y33 HydrophobicContact CZ3-CG 3.73Å
23	E	81.2	Confident	78	Confident	131 Å²	131	86.5 Å²	86.5	61%	0.612	45%	0.454	S	S	*	.	H	α-helix	trans	-67	-29	175.8	-74	179.8	-173.9	0	0	112.3	K19 E20 E21 L25	K19-E23 PolarHBondContact O-N 2.92Å; E20-E23 PolarHBondContact O-N 2.93Å; E21-E23 VanDerWaalsContact C-N 3.31Å; E21-E23 PolarHBondContact O-N 3.17Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.47Å
24	C	86.1	Confident	78.8	Confident	107 Å²	107	92.8 Å²	92.8	72%	0.723	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.1	177.5	-63.6	0	0	0	0	114.2	E20 E21 W22	E20-C24 PolarHBondContact O-N 3.04Å; E20-C24 PolarHBondContact O-SG 3.37Å; E21-C24 WeakPolarHBondContact O-CB 3.42Å; E21-C24 PolarHBondContact O-N 3.26Å; W22-C24 VanDerWaalsContact C-N 3.27Å; W22-C24 PolarHBondContact O-N 3.28Å
25	L	82.1	Confident	79.2	Confident	28 Å²	28	96.8 Å²	96.8	15%	0.147	49%	0.492	C	S	.	.			trans	-80.9	132.3	-178.2	-62.7	177.5	0	0	0	112.3	F17 W22 E23 Q29 R30	F17-L25 HydrophobicContact CD2-CD1 4.11Å; F17-L25 HydrophobicContact CE1-CD1 4.39Å; F17-L25 HydrophobicContact CE2-CD1 3.88Å; F17-L25 HydrophobicContact CG-CD1 4.45Å; F17-L25 HydrophobicContact CZ-CD1 4.03Å; F17-L25 HydrophobicContact CZ-CD2 4.44Å; W22-L25 HydrophobicContact CD2-CD1 4.4Å; W22-L25 HydrophobicContact CE3-CD1 3.67Å; W22-L25 HydrophobicContact CZ3-CD1 3.91Å; W22-L25 PolarHBondContact O-N 3.5Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.47Å; L25-Q29 HydrophobicContact CB-CB 4.15Å; L25-Q29 HydrophobicContact CD2-CB 4.07Å; L25-R30 HydrophobicContact CB-CG 3.81Å; L25-R30 HydrophobicContact CD1-CG 4.44Å; L25-R30 PolarHBondContact O-NE 3.34Å
26	D	88.7	Confident	79.6	Confident	84 Å²	84	94 Å²	94	45%	0.449	48%	0.479	S	S	.	.			trans	-71.9	166.9	170.1	73.2	48.8	0	0	0	112.2	A28 Q29 R30	D26-A28 VanDerWaalsContact C-N 3.25Å; D26-A28 PolarHBondContact O-N 3.31Å; D26-A28 WeakPolarHBondContact OD1-CA 3.46Å; D26-A28 WeakPolarHBondContact OD1-CB 3.07Å; D26-A28 PolarHBondContact OD1-N 2.82Å; D26-Q29 PolarHBondContact O-N 3.05Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.18Å; D26-Q29 PolarHBondContact OD1-N 3.4Å; D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-N 3.5Å
27	S	81.3	Confident	79.8	Confident	102 Å²	102	88.2 Å²	88.2	71%	0.713	45%	0.453	S	S	*	.	H	α-helix	trans	-59	-33.7	-177.5	-52.5	0	0	0	0	113.6	A31	S27-A31 WeakPolarHBondContact O-CB 3.48Å; S27-A31 PolarHBondContact O-N 3.07Å; S27-A31 VanDerWaalsContact O-N 3.08Å
28	A	79.5	Confident	79.8	Confident	71 Å²	71	89.2 Å²	89.2	59%	0.587	46%	0.461	S	S	*	.	H	α-helix	trans	-75.1	-36.8	179.6	0	0	0	0	0	111.4	D26 A31 L32	D26-A28 VanDerWaalsContact C-N 3.25Å; D26-A28 PolarHBondContact O-N 3.31Å; D26-A28 WeakPolarHBondContact OD1-CA 3.46Å; D26-A28 WeakPolarHBondContact OD1-CB 3.07Å; D26-A28 PolarHBondContact OD1-N 2.82Å; A28-A31 PolarHBondContact O-N 3.06Å; A28-L32 WeakPolarHBondContact O-CB 3.24Å; A28-L32 PolarHBondContact O-N 3.45Å
29	Q	81.1	Confident	79.5	Confident	87 Å²	87	90.8 Å²	90.8	41%	0.407	46%	0.464	S	S	.	.	H	α-helix	trans	-66.3	-41.5	173.5	-68.7	174.1	-31.1	0	0	111.6	L25 D26 L32 Y33	L25-Q29 HydrophobicContact CB-CB 4.15Å; L25-Q29 HydrophobicContact CD2-CB 4.07Å; D26-Q29 PolarHBondContact O-N 3.05Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.18Å; D26-Q29 PolarHBondContact OD1-N 3.4Å; Q29-L32 PolarHBondContact O-N 3.03Å; Q29-Y33 PolarHBondContact O-N 3.31Å
30	R	86	Confident	79.2	Confident	81 Å²	81	84.4 Å²	84.4	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-40.8	174.8	-70.3	179.2	-179.9	170	4.4	112.2	W22 L25 D26 Y33 R34	W22-R30 HydrophobicContact CH2-CB 4.23Å; W22-R30 HydrophobicContact CH2-CG 4.06Å; W22-R30 HydrophobicContact CZ2-CB 4.27Å; W22-R30 HydrophobicContact CZ2-CG 3.88Å; W22-R30 PolarHBondContact O-NE 3.05Å; W22-R30 PolarHBondContact O-NH2 3.25Å; L25-R30 HydrophobicContact CB-CG 3.81Å; L25-R30 HydrophobicContact CD1-CG 4.44Å; L25-R30 PolarHBondContact O-NE 3.34Å; D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-N 3.5Å; R30-Y33 PolarHBondContact O-N 3.5Å; R30-R34 WeakPolarHBondContact O-CG 3.5Å; R30-R34 PolarHBondContact O-N 2.93Å; R30-R34 VanDerWaalsContact O-N 3.14Å
31	A	80.5	Confident	78.9	Confident	48 Å²	48	84.1 Å²	84.1	40%	0.397	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-47.9	174.2	0	0	0	0	0	111.2	S27 A28 Y33 R34 D35	S27-A31 WeakPolarHBondContact O-CB 3.48Å; S27-A31 PolarHBondContact O-N 3.07Å; S27-A31 VanDerWaalsContact O-N 3.08Å; A28-A31 PolarHBondContact O-N 3.06Å; A31-Y33 VanDerWaalsContact C-N 3.31Å; A31-Y33 PolarHBondContact O-N 2.83Å; A31-R34 WeakPolarHBondContact O-CB 3.41Å; A31-R34 PolarHBondContact O-N 3.16Å; A31-R34 VanDerWaalsContact O-N 3.15Å; A31-D35 PolarHBondContact O-N 3.45Å
32	L	77.1	Confident	78.4	Confident	110 Å²	110	83.4 Å²	83.4	58%	0.576	43%	0.43	S	S	*	.	H	α-helix	trans	-59.5	-41.1	176.9	-176.8	67.9	0	0	0	112.3	A28 Q29 R34 D35 V36	A28-L32 WeakPolarHBondContact O-CB 3.24Å; A28-L32 PolarHBondContact O-N 3.45Å; Q29-L32 PolarHBondContact O-N 3.03Å; L32-R34 VanDerWaalsContact C-N 3.35Å; L32-D35 PolarHBondContact O-N 3.43Å; L32-V36 HydrophobicContact CD1-CG2 4.47Å; L32-V36 HydrophobicContact CG-CG2 4.48Å; L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.42Å
33	Y	81.7	Confident	77.5	Confident	58 Å²	58	82.5 Å²	82.5	23%	0.227	43%	0.431	C	S	.	.	H	α-helix	trans	-59	-46.5	175.9	172.6	-97.8	0	0	0	111.8	L15 F17 W22 Q29 R30 A31 D35 V36 M37	L15-Y33 HydrophobicContact CB-CE2 4.4Å; L15-Y33 WeakPolarHBondContact O-CE2 3.48Å; L15-Y33 PolarHBondContact O-OH 2.99Å; F17-Y33 AromaticContact CD2-CD2 3.74Å; F17-Y33 HydrophobicContact CD2-CD2 3.74Å; F17-Y33 AromaticContact CD2-CE2 3.53Å; F17-Y33 HydrophobicContact CD2-CE2 3.53Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.4Å; F17-Y33 HydrophobicContact CE2-CD2 3.4Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.4Å; F17-Y33 AromaticContact CE2-CE2 3.65Å; F17-Y33 HydrophobicContact CE2-CE2 3.65Å; F17-Y33 HydrophobicContact CE2-CG 4.18Å; W22-Y33 AromaticContact CH2-CD1 3.47Å; W22-Y33 HydrophobicContact CH2-CD1 3.47Å; W22-Y33 VanDerWaalsContact CH2-CD1 3.47Å; W22-Y33 AromaticContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CG 4.17Å; W22-Y33 AromaticContact CZ3-CD1 3.32Å; W22-Y33 HydrophobicContact CZ3-CD1 3.32Å; W22-Y33 HydrophobicContact CZ3-CD2 4.41Å; W22-Y33 AromaticContact CZ3-CE1 3.61Å; W22-Y33 HydrophobicContact CZ3-CE1 3.61Å; W22-Y33 AromaticContact CZ3-CG 3.73Å; W22-Y33 HydrophobicContact CZ3-CG 3.73Å; Q29-Y33 PolarHBondContact O-N 3.31Å; R30-Y33 PolarHBondContact O-N 3.5Å; A31-Y33 VanDerWaalsContact C-N 3.31Å; A31-Y33 PolarHBondContact O-N 2.83Å; Y33-D35 VanDerWaalsContact C-N 3.33Å; Y33-D35 PolarHBondContact O-N 2.73Å; Y33-V36 PolarHBondContact O-N 3.36Å; Y33-M37 HydrophobicContact CD1-CG 4.15Å; Y33-M37 HydrophobicContact CD2-CE 3.96Å; Y33-M37 HydrophobicContact CD2-CG 4.17Å; Y33-M37 HydrophobicContact CE1-CG 3.74Å; Y33-M37 HydrophobicContact CE2-CE 3.62Å; Y33-M37 HydrophobicContact CE2-CG 3.79Å; Y33-M37 HydrophobicContact CE2-SD 4.1Å; Y33-M37 HydrophobicContact CG-CG 4.39Å; Y33-M37 WeakPolarHBondContact O-CG 3.43Å; Y33-M37 PolarHBondContact O-N 3.04Å
34	R	80.3	Confident	76.5	Confident	172 Å²	172	77 Å²	77	65%	0.649	41%	0.406	S	S	*	.	H	α-helix	trans	-60.2	-44.3	177.3	-69.5	176.5	-175	-171.5	0.6	111.4	R30 A31 L32 V36 M37 L38	R30-R34 WeakPolarHBondContact O-CG 3.5Å; R30-R34 PolarHBondContact O-N 2.93Å; R30-R34 VanDerWaalsContact O-N 3.14Å; A31-R34 WeakPolarHBondContact O-CB 3.41Å; A31-R34 PolarHBondContact O-N 3.16Å; A31-R34 VanDerWaalsContact O-N 3.15Å; L32-R34 VanDerWaalsContact C-N 3.35Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 2.84Å; R34-M37 PolarHBondContact O-N 3.42Å; R34-L38 WeakPolarHBondContact O-CB 3.44Å; R34-L38 PolarHBondContact O-N 2.86Å
35	D	78	Confident	75	Confident	103 Å²	103	75.4 Å²	75.4	55%	0.551	39%	0.393	S	S	*	.	H	α-helix	trans	-61	-43.5	178.2	-66.8	-17	0	0	0	111.6	A31 L32 Y33 L38 E39	A31-D35 PolarHBondContact O-N 3.45Å; L32-D35 PolarHBondContact O-N 3.43Å; Y33-D35 VanDerWaalsContact C-N 3.33Å; Y33-D35 PolarHBondContact O-N 2.73Å; D35-L38 PolarHBondContact O-N 3.13Å; D35-E39 WeakPolarHBondContact O-CB 3.46Å; D35-E39 PolarHBondContact O-N 3.17Å
36	V	77.3	Confident	73.5	Confident	48 Å²	48	78.2 Å²	78.2	29%	0.291	42%	0.415	S	S	.	.	H	α-helix	trans	-68.1	-42.2	178.7	173.9	0	0	0	0	111.6	L32 Y33 R34 L38 E39 N40	L32-V36 HydrophobicContact CD1-CG2 4.47Å; L32-V36 HydrophobicContact CG-CG2 4.48Å; L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.42Å; Y33-V36 PolarHBondContact O-N 3.36Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 2.84Å; V36-L38 VanDerWaalsContact C-N 3.32Å; V36-L38 PolarHBondContact O-N 3.27Å; V36-E39 PolarHBondContact O-N 3.22Å; V36-N40 WeakPolarHBondContact O-CB 2.98Å; V36-N40 PolarHBondContact O-N 3.24Å
37	M	77.4	Confident	71.7	Confident	20 Å²	20	78.1 Å²	78.1	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-38.5	176.9	-69.9	-53.3	119.3	0	0	111.8	F10 A14 L15 Y33 R34 N40 Y41	F10-M37 HydrophobicContact CZ-SD 4.32Å; A14-M37 HydrophobicContact CB-SD 4.29Å; L15-M37 HydrophobicContact CB-CE 3.64Å; L15-M37 HydrophobicContact CD1-CE 4.3Å; L15-M37 HydrophobicContact CG-CE 4.11Å; L15-M37 VanDerWaalsContact N-CE 3.34Å; Y33-M37 HydrophobicContact CD1-CG 4.15Å; Y33-M37 HydrophobicContact CD2-CE 3.96Å; Y33-M37 HydrophobicContact CD2-CG 4.17Å; Y33-M37 HydrophobicContact CE1-CG 3.74Å; Y33-M37 HydrophobicContact CE2-CE 3.62Å; Y33-M37 HydrophobicContact CE2-CG 3.79Å; Y33-M37 HydrophobicContact CE2-SD 4.1Å; Y33-M37 HydrophobicContact CG-CG 4.39Å; Y33-M37 WeakPolarHBondContact O-CG 3.43Å; Y33-M37 PolarHBondContact O-N 3.04Å; R34-M37 PolarHBondContact O-N 3.42Å; M37-N40 PolarHBondContact O-N 3.31Å; M37-Y41 WeakPolarHBondContact O-CB 3.28Å; M37-Y41 PolarHBondContact O-N 3.29Å
38	L	73.7	Confident	69.9	Low	105 Å²	105	78.3 Å²	78.3	55%	0.55	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-41.8	175.2	-168.4	69.4	0	0	0	111.7	R34 D35 V36 Y41 N42	R34-L38 WeakPolarHBondContact O-CB 3.44Å; R34-L38 PolarHBondContact O-N 2.86Å; D35-L38 PolarHBondContact O-N 3.13Å; V36-L38 VanDerWaalsContact C-N 3.32Å; V36-L38 PolarHBondContact O-N 3.27Å; L38-Y41 PolarHBondContact O-N 2.87Å; L38-N42 WeakPolarHBondContact O-CB 3.38Å; L38-N42 VanDerWaalsContact O-CG 3.25Å; L38-N42 PolarHBondContact O-N 2.73Å; L38-N42 PolarHBondContact O-ND2 3.19Å
39	E	72.2	Confident	68.1	Low	78 Å²	78	83.2 Å²	83.2	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-61.2	-44	173.1	-173.3	-178.2	169.7	0	0	110.9	D35 V36 N42 N43 R97	D35-E39 WeakPolarHBondContact O-CB 3.46Å; D35-E39 PolarHBondContact O-N 3.17Å; V36-E39 PolarHBondContact O-N 3.22Å; E39-N42 PolarHBondContact O-N 2.79Å; E39-N43 WeakPolarHBondContact O-CB 3.5Å; E39-N43 PolarHBondContact O-N 2.86Å; E39-N43 PolarHBondContact O-ND2 3.38Å; E39-R97 IonicContact OE1-NH2 3.56Å
40	N	67.5	Low	65.8	Low	24 Å²	24	87 Å²	87	13%	0.128	44%	0.439	C	S	.	.	H	α-helix	trans	-62.6	-43.6	177.6	-73.5	-15.2	0	0	0	112	V13 V36 M37 N43 L44	V13-N40 HydrophobicContact CB-CB 4.48Å; V13-N40 HydrophobicContact CG1-CB 3.97Å; V13-N40 PolarHBondContact O-ND2 3.01Å; V36-N40 WeakPolarHBondContact O-CB 2.98Å; V36-N40 PolarHBondContact O-N 3.24Å; M37-N40 PolarHBondContact O-N 3.31Å; N40-N43 PolarHBondContact O-N 2.77Å; N40-L44 WeakPolarHBondContact O-CD1 3.37Å; N40-L44 WeakPolarHBondContact O-CG 3.33Å; N40-L44 PolarHBondContact O-N 3.47Å; N40-L44 VanDerWaalsContact O-N 3.17Å
41	Y	67.4	Low	63.1	Low	133 Å²	133	87.4 Å²	87.4	52%	0.522	46%	0.459	S	S	.	.	H	α-helix	trans	-62.2	-50.4	176.5	-179	-96.2	0	0	0	111.8	F10 M37 L38 N43 L44 V45	F10-Y41 HydrophobicContact CD2-CD2 4.32Å; F10-Y41 HydrophobicContact CE2-CD2 4.48Å; M37-Y41 WeakPolarHBondContact O-CB 3.28Å; M37-Y41 PolarHBondContact O-N 3.29Å; L38-Y41 PolarHBondContact O-N 2.87Å; Y41-N43 PolarHBondContact O-N 3Å; Y41-L44 PolarHBondContact O-N 3.42Å; Y41-V45 HydrophobicContact CD1-CG2 4.15Å; Y41-V45 HydrophobicContact CE1-CG2 3.7Å; Y41-V45 HydrophobicContact CE2-CG2 4.42Å; Y41-V45 PolarHBondContact O-N 2.9Å
42	N	65.6	Low	61	Low	85 Å²	85	89 Å²	89	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-36	178.5	-70.8	-25.5	0	0	0	112.3	L38 E39 L44 S46	L38-N42 WeakPolarHBondContact O-CB 3.38Å; L38-N42 VanDerWaalsContact O-CG 3.25Å; L38-N42 PolarHBondContact O-N 2.73Å; L38-N42 PolarHBondContact O-ND2 3.19Å; E39-N42 PolarHBondContact O-N 2.79Å; N42-L44 VanDerWaalsContact C-N 3.34Å; N42-S46 PolarHBondContact O-N 3.36Å; N42-S46 VanDerWaalsContact O-N 3.15Å; N42-S46 PolarHBondContact O-OG 3.33Å
43	N	63.1	Low	58.7	Low	57 Å²	57	91.4 Å²	91.4	31%	0.305	48%	0.479	S	S	.	.	H	α-helix	trans	-67.1	-31.6	175.8	-77	-46.9	0	0	0	113.2	E39 N40 Y41 V47	E39-N43 WeakPolarHBondContact O-CB 3.5Å; E39-N43 PolarHBondContact O-N 2.86Å; E39-N43 PolarHBondContact O-ND2 3.38Å; N40-N43 PolarHBondContact O-N 2.77Å; Y41-N43 PolarHBondContact O-N 3Å; N43-V47 VanDerWaalsContact O-CG2 3.27Å; N43-V47 WeakPolarHBondContact O-CG2 3.48Å
44	L	59.2	Low	56.2	Low	17 Å²	17	94.7 Å²	94.7	9%	0.089	51%	0.505	C	S	.	.	H	α-helix	trans	-76.9	-43.7	178.3	-73.6	158.4	0	0	0	111.2	L8 F10 V13 N40 Y41 N42 S46 V47 D48	L8-L44 HydrophobicContact CB-CD2 3.98Å; F10-L44 VanDerWaalsContact CA-CD1 3.43Å; F10-L44 HydrophobicContact CB-CD1 3.9Å; F10-L44 HydrophobicContact CD2-CD1 3.73Å; F10-L44 HydrophobicContact CG-CD1 4.29Å; V13-L44 HydrophobicContact CB-CD1 4.44Å; V13-L44 HydrophobicContact CG2-CD1 4.19Å; V13-L44 HydrophobicContact CG2-CD2 4.09Å; V13-L44 HydrophobicContact CG2-CG 4.42Å; N40-L44 WeakPolarHBondContact O-CD1 3.37Å; N40-L44 WeakPolarHBondContact O-CG 3.33Å; N40-L44 PolarHBondContact O-N 3.47Å; N40-L44 VanDerWaalsContact O-N 3.17Å; Y41-L44 PolarHBondContact O-N 3.42Å; N42-L44 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 3.25Å; L44-V47 PolarHBondContact O-N 3.37Å; L44-D48 PolarHBondContact O-N 3.15Å
45	V	55.6	Low	53.5	Low	73 Å²	73	95.2 Å²	95.2	44%	0.442	52%	0.52	S	S	.	.	H	α-helix	trans	-57.2	-33.9	173.7	178.1	0	0	0	0	111.5	Y41 V47	Y41-V45 HydrophobicContact CD1-CG2 4.15Å; Y41-V45 HydrophobicContact CE1-CG2 3.7Å; Y41-V45 HydrophobicContact CE2-CG2 4.42Å; Y41-V45 PolarHBondContact O-N 2.9Å; V45-V47 VanDerWaalsContact C-N 3.27Å; V45-V47 PolarHBondContact O-N 3.13Å
46	S	49.6	Very low	51.3	Low	86 Å²	86	96 Å²	96	60%	0.601	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.3	176.7	-55.4	0	0	0	0	113.8	N42 L44	N42-S46 PolarHBondContact O-N 3.36Å; N42-S46 VanDerWaalsContact O-N 3.15Å; N42-S46 PolarHBondContact O-OG 3.33Å; L44-S46 PolarHBondContact O-N 3.25Å
47	V	52.7	Low	48.7	Very low	83 Å²	83	103.1 Å²	103.1	50%	0.503	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	-29.4	-179.4	174.4	0	0	0	0	111.4	N43 L44 V45 Q49	N43-V47 VanDerWaalsContact O-CG2 3.27Å; N43-V47 WeakPolarHBondContact O-CG2 3.48Å; L44-V47 PolarHBondContact O-N 3.37Å; V45-V47 VanDerWaalsContact C-N 3.27Å; V45-V47 PolarHBondContact O-N 3.13Å; V47-Q49 PolarHBondContact O-N 3.2Å
48	D	43.4	Very low	46.1	Very low	106 Å²	106	112.6 Å²	112.6	57%	0.567	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	1.1	-178.2	-69.8	-28.4	0	0	0	114.7	L44	L44-D48 PolarHBondContact O-N 3.15Å
49	Q	40.7	Very low	43.9	Very low	174 Å²	174	114.4 Å²	114.4	81%	0.813	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-2.6	177.4	-90.3	-179.4	-24.2	0	0	115.2	V47 A51	V47-Q49 PolarHBondContact O-N 3.2Å; Q49-A51 PolarHBondContact O-N 3.24Å
50	E	33.6	Very low	41.7	Very low	166 Å²	166	118.7 Å²	118.7	78%	0.776	63%	0.631	S	S	*	*			trans	-97.4	75.5	173	-68.9	-167.2	172	0	0	111	P52	E50-P52 VanDerWaalsContact O-CD 3.31Å; E50-P52 WeakPolarHBondContact O-CD 3.34Å
51	A	28.1	Very low	39.9	Very low	89 Å²	89	122.8 Å²	122.8	74%	0.736	66%	0.662	S	S	*	*			trans	-72.2	121.5	168.9	0	0	0	0	0	110.3	Q49	Q49-A51 PolarHBondContact O-N 3.24Å
52	P	36.1	Very low	38.2	Very low	83 Å²	83	121.9 Å²	121.9	54%	0.539	67%	0.672	S	S	.	*			trans	-92.8	113.1	170.3	5.2	15.2	0	0	0	109.6	E50 T54	E50-P52 VanDerWaalsContact O-CD 3.31Å; E50-P52 WeakPolarHBondContact O-CD 3.34Å; P52-T54 PolarHBondContact O-N 2.87Å
53	D	28.7	Very low	36.5	Very low	160 Å²	160	125.8 Å²	125.8	86%	0.856	69%	0.693	S	S	*	*			trans	-64.2	95.7	163.7	-76.7	-41	0	0	0	109.4
54	T	30.4	Very low	34.9	Very low	127 Å²	127	127.4 Å²	127.4	78%	0.779	71%	0.707	S	S	*	*			trans	179.6	111.1	146.2	16.8	0	0	0	0	110.6	P52 P56	P52-T54 PolarHBondContact O-N 2.87Å; T54-P56 VanDerWaalsContact O-CD 3.31Å; T54-P56 WeakPolarHBondContact O-CD 3.46Å
55	L	23.8	Very low	33.5	Very low	182 Å²	182	136.2 Å²	136.2	95%	0.953	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-77.7	120	167.3	-82.8	148.3	0	0	0	109.8
56	P	30.1	Very low	32.3	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-99.7	133.5	166.5	1.8	20.6	0	0	0	110.5	T54	T54-P56 VanDerWaalsContact O-CD 3.31Å; T54-P56 WeakPolarHBondContact O-CD 3.46Å
57	E	23.4	Very low	31.3	Very low	197 Å²	197	142.4 Å²	142.4	92%	0.921	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-60.7	145.9	-177.3	-78.4	177.9	130.8	0	0	114.9
58	R	22.6	Very low	30.3	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.8	116.5	-177.2	-175	-177.7	-164	-174.1	4.7	111.8
59	T	27.8	Very low	29.8	Very low	144 Å²	144	150.3 Å²	150.3	88%	0.883	81%	0.805	S	S	*	*			trans	-110.3	125.2	159.6	32.6	0	0	0	0	110.3
60	Q	26.2	Very low	29.5	Very low	167 Å²	167	150 Å²	150	78%	0.78	81%	0.808	S	S	*	*			trans	-82.1	136.9	-177.3	-62.3	168.7	-1	0	0	110
61	S	29.8	Very low	29.5	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	80%	0.802	S	S	*	*				169.9	125.2	124.8	-179.3	0	0	0	0	110.1
62	P	30.9	Very low	30.2	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	80%	0.801	S	S	*	*			trans	-91.2	130.3	-178.1	34.1	-28.2	0	0	0	111
63	N	30.1	Very low	30.7	Very low	166 Å²	166	151.8 Å²	151.8	89%	0.888	81%	0.812	S	S	*	*			trans	-112.3	102	164.8	-158.5	5.3	0	0	0	109.6
64	P	30.8	Very low	31.7	Very low	92 Å²	92	149.2 Å²	149.2	60%	0.597	80%	0.802	S	S	*	*			trans	-88.3	150.2	176.2	34.4	-29.2	0	0	0	110.1
65	K	28.8	Very low	33.2	Very low	201 Å²	201	147.6 Å²	147.6	87%	0.874	79%	0.792	S	S	*	*			trans	96	68.6	172.1	-51.6	172.5	-178.9	179.6	0	115.9
66	A	30.5	Very low	35.7	Very low	95 Å²	95	142.6 Å²	142.6	79%	0.785	77%	0.772	S	S	*	*			trans	-130	110.2	146.2	0	0	0	0	0	108.6	C68	A66-C68 VanDerWaalsContact C-N 3.3Å; A66-C68 PolarHBondContact O-N 3.46Å
67	H	29.6	Very low	37.9	Very low	195 Å²	195	140.9 Å²	140.9	90%	0.903	75%	0.75	S	S	*	*			trans	-63.7	85.2	175.3	-81.5	-89.6	0	0	0	110.2	R69	H67-R69 PolarHBondContact O-N 3.06Å
68	C	30.8	Very low	40.7	Very low	119 Å²	119	138 Å²	138	80%	0.804	74%	0.735	S	S	*	*			trans	-81.6	108.5	172.5	-152.1	0	0	0	0	108.5	A66 L70	A66-C68 VanDerWaalsContact C-N 3.3Å; A66-C68 PolarHBondContact O-N 3.46Å; C68-L70 PolarHBondContact O-N 3.12Å; C68-L70 VanDerWaalsContact O-N 3.15Å
69	R	32.1	Very low	43.6	Very low	236 Å²	236	127.7 Å²	127.7	89%	0.891	70%	0.696	S	S	*	*			trans	-51.4	119.7	168.3	-71.7	177.3	175.3	-178.4	-2	107.6	H67 S71	H67-R69 PolarHBondContact O-N 3.06Å; R69-S71 PolarHBondContact O-N 3.31Å
70	L	34.6	Very low	46.3	Very low	167 Å²	167	128.3 Å²	128.3	87%	0.874	69%	0.692	S	S	*	*			trans	-59	82	177.8	-80.1	141.9	0	0	0	109.8	C68 T72	C68-L70 PolarHBondContact O-N 3.12Å; C68-L70 VanDerWaalsContact O-N 3.15Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.17Å
71	S	34.6	Very low	48.7	Very low	95 Å²	95	127.4 Å²	127.4	66%	0.664	69%	0.688	S	S	*	*			trans	-63	104	154.5	-160.5	0	0	0	0	103.8	R69 H73	R69-S71 PolarHBondContact O-N 3.31Å; S71-H73 PolarHBondContact O-N 3.08Å
72	T	42	Very low	51.3	Low	115 Å²	115	124.7 Å²	124.7	71%	0.706	67%	0.669	S	S	*	*			trans	-57.5	93.6	173.5	47.9	0	0	0	0	106	L70 V74	L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.17Å; T72-V74 PolarHBondContact O-N 3.34Å
73	H	47	Very low	53.7	Low	166 Å²	166	120.9 Å²	120.9	77%	0.769	65%	0.65	S	S	*	*			trans	-57.1	98.7	166.9	-90.2	-92.5	0	0	0	104.5	S71 T75	S71-H73 PolarHBondContact O-N 3.08Å; H73-T75 PolarHBondContact O-N 2.86Å
74	V	49.9	Very low	56.3	Low	106 Å²	106	118.7 Å²	118.7	64%	0.642	63%	0.632	S	S	*	*			trans	-65.9	93.4	170.1	178.4	0	0	0	0	104.2	T72 S76 T87	T72-V74 PolarHBondContact O-N 3.34Å; V74-S76 PolarHBondContact O-N 3.3Å; V74-T87 HydrophobicContact CG1-CG2 4.36Å
75	T	62.3	Low	58.7	Low	93 Å²	93	118 Å²	118	57%	0.571	63%	0.63	S	S	*	*			trans	-60.9	103.9	179.8	37.8	0	0	0	0	107.3	H73	H73-T75 PolarHBondContact O-N 2.86Å
76	S	75.3	Confident	61	Low	76 Å²	76	111 Å²	111	53%	0.531	60%	0.598	S	S	.	*			trans	-90.4	118.8	178.3	79.3	0	0	0	0	109	V74 K78 Y86	V74-S76 PolarHBondContact O-N 3.3Å; S76-K78 PolarHBondContact O-N 3Å; S76-Y86 CarbonylContact C-O 3.6Å; S76-Y86 WeakPolarHBondContact CA-O 3.39Å
77	Y	77.3	Confident	63.4	Low	85 Å²	85	111.2 Å²	111.2	33%	0.333	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	112.3	175	-60	-86.4	0	0	0	109.4	S85 Y86 L89	Y77-S85 CarbonylContact O-C 3.52Å; Y77-S85 WeakPolarHBondContact O-CA 3.43Å; Y77-Y86 PolarHBondContact N-O 3.3Å; Y77-Y86 PolarHBondContact O-N 2.81Å; Y77-L89 HydrophobicContact CD1-CB 3.97Å; Y77-L89 HydrophobicContact CD1-CD1 3.76Å; Y77-L89 HydrophobicContact CD1-CG 4.4Å; Y77-L89 HydrophobicContact CD2-CB 4.32Å; Y77-L89 HydrophobicContact CE1-CB 3.84Å; Y77-L89 HydrophobicContact CE1-CD1 4.16Å; Y77-L89 HydrophobicContact CE1-CG 4.4Å; Y77-L89 HydrophobicContact CE2-CB 4.19Å; Y77-L89 HydrophobicContact CG-CB 4.2Å; Y77-L89 HydrophobicContact CG-CD1 4.35Å
78	K	81.7	Confident	65.7	Low	137 Å²	137	108.3 Å²	108.3	60%	0.596	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.6	133.6	-175.9	-165.4	177.9	178.8	-177.9	0	111.3	S76 G83	S76-K78 PolarHBondContact O-N 3Å; K78-G83 VanDerWaalsContact CE-O 3.25Å; K78-G83 WeakPolarHBondContact CE-O 3.37Å; K78-G83 WeakPolarHBondContact CG-O 3.12Å
79	C	83.4	Confident	67.9	Low	1 Å²	1	104.9 Å²	104.9	1%	0.007	55%	0.548	C	S	.	.			trans	-74.3	125.3	170	179.6	0	0	0	0	109.9	C82 G83 K84 Y86 L92 H95 H99	C79-C82 VanDerWaalsContact SG-SG 3.67Å; C79-G83 WeakPolarHBondContact O-CA 3.43Å; C79-G83 PolarHBondContact O-N 3.24Å; C79-K84 WeakPolarHBondContact CB-O 3.41Å; C79-K84 PolarHBondContact N-O 3.12Å; C79-Y86 HydrophobicContact CB-CE2 4.44Å; C79-L92 HydrophobicContact CB-CD1 3.52Å; C79-H95 PolarHBondContact SG-NE2 3.15Å; C79-H95 VanDerWaalsContact SG-NE2 3.36Å; C79-H99 PolarHBondContact SG-NE2 3.37Å; C79-H99 VanDerWaalsContact SG-NE2 3.42Å
80	I	83.6	Confident	70.1	Confident	158 Å²	158	97.1 Å²	97.1	81%	0.81	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-45.1	-179.5	-60.5	170.7	0	0	0	110.7	C82	I80-C82 PolarHBondContact O-N 3.41Å
81	E	78.5	Confident	72.2	Confident	148 Å²	148	91.6 Å²	91.6	69%	0.692	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-34.3	-176.6	-64.5	-61.3	142.4	0	0	115
82	C	83.7	Confident	74.4	Confident	53 Å²	53	87.6 Å²	87.6	36%	0.358	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	4.6	-174.5	76.3	0	0	0	0	115.1	C79 I80 K84 H95	C79-C82 VanDerWaalsContact SG-SG 3.67Å; I80-C82 PolarHBondContact O-N 3.41Å; C82-K84 PolarHBondContact O-N 3.28Å; C82-K84 VanDerWaalsContact O-N 3.08Å; C82-K84 VanDerWaalsContact SG-CG 3.58Å; C82-H95 VanDerWaalsContact SG-CE1 3.55Å; C82-H95 PolarHBondContact SG-NE2 3.38Å
83	G	81.8	Confident	76.2	Confident	34 Å²	34	85.7 Å²	85.7	35%	0.351	46%	0.459	S	S	.	.			trans	70.3	-1.7	177.2	0	0	0	0	0	116.2	K78 C79 S85	K78-G83 VanDerWaalsContact CE-O 3.25Å; K78-G83 WeakPolarHBondContact CE-O 3.37Å; K78-G83 WeakPolarHBondContact CG-O 3.12Å; C79-G83 WeakPolarHBondContact O-CA 3.43Å; C79-G83 PolarHBondContact O-N 3.24Å; G83-S85 PolarHBondContact O-N 3.22Å
84	K	83.4	Confident	77.7	Confident	120 Å²	120	79.3 Å²	79.3	52%	0.522	43%	0.431	S	S	.	.			trans	-65.5	129.1	-179	-71.1	178.4	-174.1	173.2	0	111.3	C79 C82 Y86	C79-K84 WeakPolarHBondContact CB-O 3.41Å; C79-K84 PolarHBondContact N-O 3.12Å; C82-K84 PolarHBondContact O-N 3.28Å; C82-K84 VanDerWaalsContact O-N 3.08Å; C82-K84 VanDerWaalsContact SG-CG 3.58Å; K84-Y86 HydrophobicContact CB-CE2 3.73Å; K84-Y86 WeakPolarHBondContact O-CD2 3.23Å; K84-Y86 WeakPolarHBondContact O-CE2 3.46Å
85	S	81.7	Confident	79.1	Confident	79 Å²	79	74.8 Å²	74.8	55%	0.552	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	142.7	176.6	53.5	0	0	0	0	111.9	Y77 G83	Y77-S85 CarbonylContact O-C 3.52Å; Y77-S85 WeakPolarHBondContact O-CA 3.43Å; G83-S85 PolarHBondContact O-N 3.22Å
86	Y	77.8	Confident	80	Confident	52 Å²	52	73.9 Å²	73.9	20%	0.204	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.6	179.7	-61.5	-87.7	0	0	0	109.3	S76 Y77 C79 K84 K88 L92 H95	S76-Y86 CarbonylContact C-O 3.6Å; S76-Y86 WeakPolarHBondContact CA-O 3.39Å; Y77-Y86 PolarHBondContact N-O 3.3Å; Y77-Y86 PolarHBondContact O-N 2.81Å; C79-Y86 HydrophobicContact CB-CE2 4.44Å; K84-Y86 HydrophobicContact CB-CE2 3.73Å; K84-Y86 WeakPolarHBondContact O-CD2 3.23Å; K84-Y86 WeakPolarHBondContact O-CE2 3.46Å; Y86-K88 VanDerWaalsContact C-N 3.29Å; Y86-L92 HydrophobicContact CD2-CB 3.85Å; Y86-L92 HydrophobicContact CD2-CD1 3.7Å; Y86-L92 HydrophobicContact CD2-CG 4.38Å; Y86-L92 HydrophobicContact CE2-CD1 3.9Å; Y86-L92 HydrophobicContact CG-CB 4.19Å; Y86-H95 HydrophobicContact CE1-CB 4.05Å; Y86-H95 HydrophobicContact CE2-CB 3.87Å; Y86-H95 AromaticContact CE2-CD2 3.43Å; Y86-H95 VanDerWaalsContact CE2-CD2 3.43Å; Y86-H95 WeakPolarHBondContact CE2-CD2 3.32Å; Y86-H95 AromaticContact CE2-CG 3.69Å; Y86-H95 VanDerWaalsContact CZ-CB 3.49Å; Y86-H95 AromaticContact CZ-CD2 3.63Å; Y86-H95 AromaticContact CZ-CG 3.4Å; Y86-H95 AromaticContact CZ-ND1 4Å; Y86-H95 WeakPolarHBondContact OH-CB 3.41Å; Y86-H95 PolarHBondContact OH-CD2 2.86Å; Y86-H95 PolarHBondContact OH-CE1 3.08Å; Y86-H95 PolarHBondContact OH-ND1 3.1Å
87	T	79.3	Confident	80.3	Confident	101 Å²	101	72.1 Å²	72.1	62%	0.62	37%	0.374	S	S	*	.	S	Bend	trans	-80.6	-12.4	178	52.8	0	0	0	0	113.3	V74	V74-T87 HydrophobicContact CG1-CG2 4.36Å
88	K	79.7	Confident	80.2	Confident	134 Å²	134	73.5 Å²	73.5	58%	0.583	39%	0.387	S	S	*	.	S	Bend	trans	-132.5	135.3	-179.8	-64.5	-176.5	178.3	-170.8	0	109.8	Y86 S90 S91 L92	Y86-K88 VanDerWaalsContact C-N 3.29Å; K88-S90 VanDerWaalsContact C-N 3.29Å; K88-S90 PolarHBondContact O-N 3.34Å; K88-S91 WeakPolarHBondContact O-CB 3.45Å; K88-S91 PolarHBondContact O-N 3.03Å; K88-L92 PolarHBondContact O-N 2.86Å
89	L	76.7	Confident	80.2	Confident	46 Å²	46	71 Å²	71	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-40.1	177.4	-179	60.4	0	0	0	112.1	Y77 S91 L92 K93	Y77-L89 HydrophobicContact CD1-CB 3.97Å; Y77-L89 HydrophobicContact CD1-CD1 3.76Å; Y77-L89 HydrophobicContact CD1-CG 4.4Å; Y77-L89 HydrophobicContact CD2-CB 4.32Å; Y77-L89 HydrophobicContact CE1-CB 3.84Å; Y77-L89 HydrophobicContact CE1-CD1 4.16Å; Y77-L89 HydrophobicContact CE1-CG 4.4Å; Y77-L89 HydrophobicContact CE2-CB 4.19Å; Y77-L89 HydrophobicContact CG-CB 4.2Å; Y77-L89 HydrophobicContact CG-CD1 4.35Å; L89-S91 PolarHBondContact O-N 3.35Å; L89-L92 HydrophobicContact CD1-CD2 4.32Å; L89-L92 CarbonylContact O-C 3.55Å; L89-L92 WeakPolarHBondContact O-CA 3.45Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 3.05Å; L89-K93 HydrophobicContact CG-CG 4.46Å; L89-K93 PolarHBondContact O-N 3.4Å
90	S	76.9	Confident	80.1	Confident	74 Å²	74	76.1 Å²	76.1	52%	0.517	41%	0.408	S	S	.	.	H	α-helix	trans	-57.8	-35.6	176.2	58.7	0	0	0	0	112.7	K88 V94	K88-S90 VanDerWaalsContact C-N 3.29Å; K88-S90 PolarHBondContact O-N 3.34Å; S90-V94 VanDerWaalsContact O-CG2 3.28Å; S90-V94 WeakPolarHBondContact O-CG2 3.46Å; S90-V94 PolarHBondContact O-N 2.98Å
91	S	79.2	Confident	79.9	Confident	51 Å²	51	70.6 Å²	70.6	36%	0.357	39%	0.391	S	S	.	.	H	α-helix	trans	-71.3	-38	176.1	-63.3	0	0	0	0	112	K88 L89 H95	K88-S91 WeakPolarHBondContact O-CB 3.45Å; K88-S91 PolarHBondContact O-N 3.03Å; L89-S91 PolarHBondContact O-N 3.35Å; S91-H95 WeakPolarHBondContact O-CB 3.29Å; S91-H95 PolarHBondContact O-N 3.3Å
92	L	80.2	Confident	80	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-48.4	171.7	173.7	61.9	0	0	0	111.3	C79 Y86 K88 L89 V94 H95 Q96	C79-L92 HydrophobicContact CB-CD1 3.52Å; Y86-L92 HydrophobicContact CD2-CB 3.85Å; Y86-L92 HydrophobicContact CD2-CD1 3.7Å; Y86-L92 HydrophobicContact CD2-CG 4.38Å; Y86-L92 HydrophobicContact CE2-CD1 3.9Å; Y86-L92 HydrophobicContact CG-CB 4.19Å; K88-L92 PolarHBondContact O-N 2.86Å; L89-L92 HydrophobicContact CD1-CD2 4.32Å; L89-L92 CarbonylContact O-C 3.55Å; L89-L92 WeakPolarHBondContact O-CA 3.45Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 3.05Å; L92-V94 PolarHBondContact O-N 3.46Å; L92-H95 CarbonylContact O-C 3.59Å; L92-H95 WeakPolarHBondContact O-CA 3.41Å; L92-H95 WeakPolarHBondContact O-CB 3.45Å; L92-H95 PolarHBondContact O-N 3.38Å; L92-Q96 HydrophobicContact CD1-CG 4.09Å; L92-Q96 HydrophobicContact CG-CG 4.35Å; L92-Q96 WeakPolarHBondContact O-CG 3.47Å; L92-Q96 PolarHBondContact O-N 3.3Å
93	K	80.1	Confident	80	Confident	75 Å²	75	69.6 Å²	69.6	33%	0.326	38%	0.381	S	S	.	.	H	α-helix	trans	-56.3	-47.9	178.1	-74.5	-172.7	176.6	-173.6	0	111.7	L89 H95 Q96 R97	L89-K93 HydrophobicContact CG-CG 4.46Å; L89-K93 PolarHBondContact O-N 3.4Å; K93-H95 VanDerWaalsContact C-N 3.26Å; K93-H95 PolarHBondContact O-N 2.76Å; K93-Q96 WeakPolarHBondContact O-CB 3.37Å; K93-Q96 PolarHBondContact O-N 2.82Å; K93-Q96 VanDerWaalsContact O-N 3.16Å; K93-R97 PolarHBondContact O-N 2.99Å
94	V	78.8	Confident	80.1	Confident	31 Å²	31	71 Å²	71	19%	0.188	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-30.7	177.4	178.7	0	0	0	0	112.2	S90 L92 R97 K116	S90-V94 VanDerWaalsContact O-CG2 3.28Å; S90-V94 WeakPolarHBondContact O-CG2 3.46Å; S90-V94 PolarHBondContact O-N 2.98Å; L92-V94 PolarHBondContact O-N 3.46Å; V94-R97 WeakPolarHBondContact O-CB 3.5Å; V94-K116 HydrophobicContact CG1-CD 4.01Å; V94-K116 HydrophobicContact CG1-CG 3.59Å
95	H	80.1	Confident	80.1	Confident	11 Å²	11	68.3 Å²	68.3	5%	0.051	37%	0.372	C	S	.	.	H	α-helix	trans	-68.9	-41.2	171.6	165.9	64.8	0	0	0	112.4	C79 C82 Y86 S91 L92 K93 R97 L98 H99	C79-H95 PolarHBondContact SG-NE2 3.15Å; C79-H95 VanDerWaalsContact SG-NE2 3.36Å; C82-H95 VanDerWaalsContact SG-CE1 3.55Å; C82-H95 PolarHBondContact SG-NE2 3.38Å; Y86-H95 HydrophobicContact CE1-CB 4.05Å; Y86-H95 HydrophobicContact CE2-CB 3.87Å; Y86-H95 AromaticContact CE2-CD2 3.43Å; Y86-H95 VanDerWaalsContact CE2-CD2 3.43Å; Y86-H95 WeakPolarHBondContact CE2-CD2 3.32Å; Y86-H95 AromaticContact CE2-CG 3.69Å; Y86-H95 VanDerWaalsContact CZ-CB 3.49Å; Y86-H95 AromaticContact CZ-CD2 3.63Å; Y86-H95 AromaticContact CZ-CG 3.4Å; Y86-H95 AromaticContact CZ-ND1 4Å; Y86-H95 WeakPolarHBondContact OH-CB 3.41Å; Y86-H95 PolarHBondContact OH-CD2 2.86Å; Y86-H95 PolarHBondContact OH-CE1 3.08Å; Y86-H95 PolarHBondContact OH-ND1 3.1Å; S91-H95 WeakPolarHBondContact O-CB 3.29Å; S91-H95 PolarHBondContact O-N 3.3Å; L92-H95 CarbonylContact O-C 3.59Å; L92-H95 WeakPolarHBondContact O-CA 3.41Å; L92-H95 WeakPolarHBondContact O-CB 3.45Å; L92-H95 PolarHBondContact O-N 3.38Å; K93-H95 VanDerWaalsContact C-N 3.26Å; K93-H95 PolarHBondContact O-N 2.76Å; H95-R97 PolarHBondContact O-N 3.19Å; H95-L98 VanDerWaalsContact O-CB 3.23Å; H95-L98 WeakPolarHBondContact O-CB 3.46Å; H95-L98 PolarHBondContact O-N 2.83Å; H95-H99 AromaticContact CE1-NE2 3.54Å; H95-H99 AromaticContact NE2-CD2 3.97Å; H95-H99 AromaticContact NE2-NE2 3.25Å; H95-H99 PolarHBondContact NE2-NE2 3.01Å
96	Q	80.2	Confident	80.3	Confident	75 Å²	75	69.3 Å²	69.3	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-31.5	177.7	-74.3	169.7	-41.7	0	0	111.9	L92 K93 L98 H99 T100	L92-Q96 HydrophobicContact CD1-CG 4.09Å; L92-Q96 HydrophobicContact CG-CG 4.35Å; L92-Q96 WeakPolarHBondContact O-CG 3.47Å; L92-Q96 PolarHBondContact O-N 3.3Å; K93-Q96 WeakPolarHBondContact O-CB 3.37Å; K93-Q96 PolarHBondContact O-N 2.82Å; K93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-L98 PolarHBondContact O-N 3.23Å; Q96-L98 VanDerWaalsContact O-N 3.09Å; Q96-H99 WeakPolarHBondContact O-CB 3.4Å; Q96-H99 PolarHBondContact O-N 3.37Å; Q96-T100 PolarHBondContact O-N 3.01Å; Q96-T100 VanDerWaalsContact O-N 3.12Å
97	R	82.6	Confident	80.8	Confident	39 Å²	39	66.8 Å²	66.8	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-56.3	-23.3	171	-65.4	-178.5	-172.2	161.5	0.8	114	E39 K93 V94 H95 H99 T100 G101 D102 T115	E39-R97 IonicContact OE1-NH2 3.56Å; K93-R97 PolarHBondContact O-N 2.99Å; V94-R97 WeakPolarHBondContact O-CB 3.5Å; H95-R97 PolarHBondContact O-N 3.19Å; R97-H99 VanDerWaalsContact C-N 3.35Å; R97-T100 WeakPolarHBondContact CA-OG1 3.19Å; R97-G101 CarbonylContact O-C 3.49Å; R97-G101 WeakPolarHBondContact O-CA 3.14Å; R97-G101 PolarHBondContact O-N 3.2Å; R97-D102 HydrophobicContact CB-CB 4.42Å; R97-D102 HydrophobicContact CG-CB 4.29Å; R97-D102 IonicContact NE-OD2 3.57Å; R97-D102 PolarHBondContact O-N 2.78Å; R97-T115 HydrophobicContact CB-CG2 4.42Å; R97-T115 PolarHBondContact NH1-O 3.19Å; R97-T115 VanDerWaalsContact NH1-O 3.16Å
98	L	74.9	Confident	81.1	Confident	113 Å²	113	69 Å²	69	59%	0.592	36%	0.364	S	S	*	.	H	α-helix	trans	-72.6	-28.6	174	-62	174.6	0	0	0	112.7	H95 Q96 T115	H95-L98 VanDerWaalsContact O-CB 3.23Å; H95-L98 WeakPolarHBondContact O-CB 3.46Å; H95-L98 PolarHBondContact O-N 2.83Å; Q96-L98 PolarHBondContact O-N 3.23Å; Q96-L98 VanDerWaalsContact O-N 3.09Å; L98-T115 HydrophobicContact CD2-CG2 4.2Å
99	H	80.9	Confident	81.3	Confident	86 Å²	86	68.2 Å²	68.2	40%	0.398	36%	0.362	S	S	.	.	H	α-helix	trans	-83.3	-44.1	177.4	-61.4	-55.4	0	0	0	111.2	C79 H95 Q96 R97 G101	C79-H99 PolarHBondContact SG-NE2 3.37Å; C79-H99 VanDerWaalsContact SG-NE2 3.42Å; H95-H99 AromaticContact CE1-NE2 3.54Å; H95-H99 AromaticContact NE2-CD2 3.97Å; H95-H99 AromaticContact NE2-NE2 3.25Å; H95-H99 PolarHBondContact NE2-NE2 3.01Å; Q96-H99 WeakPolarHBondContact O-CB 3.4Å; Q96-H99 PolarHBondContact O-N 3.37Å; R97-H99 VanDerWaalsContact C-N 3.35Å; H99-G101 PolarHBondContact O-N 3.06Å
100	T	81.8	Confident	81.8	Confident	107 Å²	107	68.6 Å²	68.6	66%	0.656	37%	0.368	S	S	*	.	H	α-helix	trans	-73.7	-17.3	178.5	62.3	0	0	0	0	112.9	Q96 R97 D102	Q96-T100 PolarHBondContact O-N 3.01Å; Q96-T100 VanDerWaalsContact O-N 3.12Å; R97-T100 WeakPolarHBondContact CA-OG1 3.19Å; T100-D102 PolarHBondContact O-N 3.28Å; T100-D102 WeakPolarHBondContact OG1-CB 3.44Å; T100-D102 PolarHBondContact OG1-N 3.31Å
101	G	79	Confident	82.2	Confident	43 Å²	43	66.5 Å²	66.5	44%	0.443	36%	0.358	S	S	.	.			trans	74	4.4	-173.5	0	0	0	0	0	113.8	R97 H99 K103	R97-G101 CarbonylContact O-C 3.49Å; R97-G101 WeakPolarHBondContact O-CA 3.14Å; R97-G101 PolarHBondContact O-N 3.2Å; H99-G101 PolarHBondContact O-N 3.06Å; G101-K103 PolarHBondContact O-N 3.48Å
102	D	81.3	Confident	82.5	Confident	74 Å²	74	70 Å²	70	40%	0.396	37%	0.367	S	S	.	.			trans	-61.8	127.5	178.9	177.4	30.8	0	0	0	111.3	R97 T100 P104	R97-D102 HydrophobicContact CB-CB 4.42Å; R97-D102 HydrophobicContact CG-CB 4.29Å; R97-D102 IonicContact NE-OD2 3.57Å; R97-D102 PolarHBondContact O-N 2.78Å; T100-D102 PolarHBondContact O-N 3.28Å; T100-D102 WeakPolarHBondContact OG1-CB 3.44Å; T100-D102 PolarHBondContact OG1-N 3.31Å; D102-P104 WeakPolarHBondContact OD1-CD 3.18Å; D102-P104 WeakPolarHBondContact OD2-CG 3Å
103	K	83.7	Confident	82.8	Confident	105 Å²	105	75.5 Å²	75.5	46%	0.457	39%	0.388	S	S	.	.			trans	-138.5	77.9	-177.4	-68.2	170.4	-172.7	172.2	0	109.2	G101 Y105 Y113 F114 T115	G101-K103 PolarHBondContact O-N 3.48Å; K103-Y105 PolarHBondContact O-N 3.49Å; K103-Y105 VanDerWaalsContact O-N 3.1Å; K103-Y113 VanDerWaalsContact O-CD1 3.3Å; K103-Y113 WeakPolarHBondContact O-CD1 3.23Å; K103-F114 CarbonylContact C-O 3.47Å; K103-F114 VanDerWaalsContact C-O 3.31Å; K103-F114 WeakPolarHBondContact CA-O 3.48Å; K103-T115 HydrophobicContact CG-CG2 3.77Å
104	P	83	Confident	82.9	Confident	64 Å²	64	73.7 Å²	73.7	42%	0.416	38%	0.38	S	S	.	.			trans	-61.7	-26.3	-171.1	-25.5	35	0	0	0	114.2	D102 K106	D102-P104 WeakPolarHBondContact OD1-CD 3.18Å; D102-P104 WeakPolarHBondContact OD2-CG 3Å; P104-K106 PolarHBondContact O-N 3.12Å
105	Y	83.8	Confident	83	Confident	64 Å²	64	73.2 Å²	73.2	25%	0.251	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.6	-170.1	-55.9	-77.6	0	0	0	111.3	K103 Y113 F114 K116 S117	K103-Y105 PolarHBondContact O-N 3.49Å; K103-Y105 VanDerWaalsContact O-N 3.1Å; Y105-Y113 CarbonylContact O-C 3.58Å; Y105-Y113 WeakPolarHBondContact O-CA 3.43Å; Y105-F114 WeakPolarHBondContact CD2-O 3.44Å; Y105-F114 PolarHBondContact N-O 3.5Å; Y105-F114 VanDerWaalsContact N-O 3.16Å; Y105-F114 PolarHBondContact O-N 3.12Å; Y105-K116 VanDerWaalsContact CD2-C 3.41Å; Y105-S117 VanDerWaalsContact CD2-N 3.29Å; Y105-S117 VanDerWaalsContact CE2-N 3.31Å
106	K	86.8	Confident	83	Confident	99 Å²	99	77.4 Å²	77.4	43%	0.43	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138.5	178.2	-169.7	-172.7	-178	179.4	0	111.9	P104 K112 Y113 L120	P104-K106 PolarHBondContact O-N 3.12Å; K106-K112 CarbonylContact C-O 3.51Å; K106-Y113 HydrophobicContact CB-CD1 3.71Å; K106-Y113 HydrophobicContact CB-CE1 3.59Å; K106-Y113 HydrophobicContact CB-CG 4.43Å; K106-Y113 HydrophobicContact CD-CE1 3.8Å; K106-Y113 HydrophobicContact CD-CE2 4.28Å; K106-Y113 WeakPolarHBondContact CD-OH 3.43Å; K106-Y113 WeakPolarHBondContact CE-OH 3.28Å; K106-Y113 HydrophobicContact CG-CD1 3.98Å; K106-Y113 HydrophobicContact CG-CD2 4.43Å; K106-Y113 HydrophobicContact CG-CE1 3.63Å; K106-Y113 HydrophobicContact CG-CE2 4.08Å; K106-Y113 HydrophobicContact CG-CG 4.39Å; K106-L120 WeakPolarHBondContact O-CD2 3.37Å
107	C	87.3	Confident	83.1	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.4	C	S	.	.			trans	-82.8	121.9	164.9	-180	0	0	0	0	109.8	E109 G111 K112 F114 L120	C107-E109 VanDerWaalsContact C-N 3.28Å; C107-E109 PolarHBondContact O-N 2.97Å; C107-G111 WeakPolarHBondContact O-CA 3.17Å; C107-G111 PolarHBondContact O-N 2.93Å; C107-K112 PolarHBondContact N-O 2.8Å; C107-F114 HydrophobicContact CB-CE2 4.25Å; C107-L120 HydrophobicContact CB-CD1 3.62Å
108	N	86.2	Confident	83	Confident	146 Å²	146	78.3 Å²	78.3	78%	0.781	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.4	-178.5	-66.6	-16	0	0	0	113.3
109	E	83.9	Confident	83.5	Confident	119 Å²	119	76.6 Å²	76.6	56%	0.556	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-38.1	-176.4	-63.8	-178.8	-134.6	0	0	113.9	C107 H127	C107-E109 VanDerWaalsContact C-N 3.28Å; C107-E109 PolarHBondContact O-N 2.97Å; E109-H127 WeakPolarHBondContact OE2-CB 3.25Å; E109-H127 IonicContact OE2-CE1 3.65Å; E109-H127 IonicContact OE2-CG 3.39Å; E109-H127 IonicContact OE2-ND1 3.9Å; E109-H127 PolarHBondContact OE2-ND1 3.02Å
110	C	86.9	Confident	83.6	Confident	54 Å²	54	73.4 Å²	73.4	37%	0.365	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	0.7	-180	68.1	0	0	0	0	114.7	K112 H123 H127	C110-K112 PolarHBondContact O-N 3.36Å; C110-K112 VanDerWaalsContact SG-CG 3.55Å; C110-H123 PolarHBondContact SG-NE2 3.42Å; C110-H127 PolarHBondContact SG-NE2 3.34Å
111	G	84.3	Confident	83.8	Confident	29 Å²	29	75.3 Å²	75.3	30%	0.299	39%	0.392	S	S	.	.			trans	69.5	7.4	-179.2	0	0	0	0	0	115.1	C107 Y113	C107-G111 WeakPolarHBondContact O-CA 3.17Å; C107-G111 PolarHBondContact O-N 2.93Å; G111-Y113 WeakPolarHBondContact O-CD2 3.47Å; G111-Y113 WeakPolarHBondContact O-CE2 3.38Å
112	K	85.6	Confident	83.9	Confident	125 Å²	125	75.1 Å²	75.1	54%	0.543	38%	0.382	S	S	.	.			trans	-72.9	139.4	179.8	-74.2	179.9	-177.4	172.5	0	111.8	K106 C107 C110 F114	K106-K112 CarbonylContact C-O 3.51Å; C107-K112 PolarHBondContact N-O 2.8Å; C110-K112 PolarHBondContact O-N 3.36Å; C110-K112 VanDerWaalsContact SG-CG 3.55Å; K112-F114 HydrophobicContact CB-CE2 3.89Å; K112-F114 HydrophobicContact CB-CZ 4.08Å; K112-F114 WeakPolarHBondContact O-CE2 3.35Å
113	Y	88.3	Confident	84.2	Confident	126 Å²	126	72.4 Å²	72.4	49%	0.494	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.7	179.6	-65.1	-98.5	0	0	0	112.2	K103 Y105 K106 G111	K103-Y113 VanDerWaalsContact O-CD1 3.3Å; K103-Y113 WeakPolarHBondContact O-CD1 3.23Å; Y105-Y113 CarbonylContact O-C 3.58Å; Y105-Y113 WeakPolarHBondContact O-CA 3.43Å; K106-Y113 HydrophobicContact CB-CD1 3.71Å; K106-Y113 HydrophobicContact CB-CE1 3.59Å; K106-Y113 HydrophobicContact CB-CG 4.43Å; K106-Y113 HydrophobicContact CD-CE1 3.8Å; K106-Y113 HydrophobicContact CD-CE2 4.28Å; K106-Y113 WeakPolarHBondContact CD-OH 3.43Å; K106-Y113 WeakPolarHBondContact CE-OH 3.28Å; K106-Y113 HydrophobicContact CG-CD1 3.98Å; K106-Y113 HydrophobicContact CG-CD2 4.43Å; K106-Y113 HydrophobicContact CG-CE1 3.63Å; K106-Y113 HydrophobicContact CG-CE2 4.08Å; K106-Y113 HydrophobicContact CG-CG 4.39Å; G111-Y113 WeakPolarHBondContact O-CD2 3.47Å; G111-Y113 WeakPolarHBondContact O-CE2 3.38Å
114	F	82.2	Confident	84.1	Confident	38 Å²	38	70.1 Å²	70.1	17%	0.167	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.9	-177.2	-59.9	-90.8	0	0	0	111.2	K103 Y105 C107 K112 K116 N119 L120 H123	K103-F114 CarbonylContact C-O 3.47Å; K103-F114 VanDerWaalsContact C-O 3.31Å; K103-F114 WeakPolarHBondContact CA-O 3.48Å; Y105-F114 WeakPolarHBondContact CD2-O 3.44Å; Y105-F114 PolarHBondContact N-O 3.5Å; Y105-F114 VanDerWaalsContact N-O 3.16Å; Y105-F114 PolarHBondContact O-N 3.12Å; C107-F114 HydrophobicContact CB-CE2 4.25Å; K112-F114 HydrophobicContact CB-CE2 3.89Å; K112-F114 HydrophobicContact CB-CZ 4.08Å; K112-F114 WeakPolarHBondContact O-CE2 3.35Å; F114-K116 VanDerWaalsContact C-N 3.35Å; F114-N119 HydrophobicContact CB-CB 4.35Å; F114-N119 HydrophobicContact CD1-CB 3.94Å; F114-N119 HydrophobicContact CG-CB 4.46Å; F114-L120 HydrophobicContact CB-CB 4.21Å; F114-L120 HydrophobicContact CD2-CB 3.84Å; F114-L120 HydrophobicContact CD2-CD1 3.59Å; F114-L120 HydrophobicContact CD2-CG 4.3Å; F114-L120 HydrophobicContact CE2-CD1 3.7Å; F114-L120 HydrophobicContact CG-CB 4.1Å; F114-H123 HydrophobicContact CE1-CB 3.75Å; F114-H123 AromaticContact CE1-CG 3.97Å; F114-H123 HydrophobicContact CE2-CB 4Å; F114-H123 AromaticContact CE2-CD2 3.39Å; F114-H123 WeakPolarHBondContact CE2-CD2 3.4Å; F114-H123 AromaticContact CE2-CG 3.71Å; F114-H123 HydrophobicContact CZ-CB 3.39Å; F114-H123 AromaticContact CZ-CD2 3.32Å; F114-H123 WeakPolarHBondContact CZ-CD2 3.41Å; F114-H123 AromaticContact CZ-CG 3.14Å; F114-H123 AromaticContact CZ-ND1 3.68Å; F114-H123 AromaticContact CZ-NE2 3.88Å
115	T	79.3	Confident	84.3	Confident	20 Å²	20	69.2 Å²	69.2	12%	0.123	35%	0.346	C	S	.	.	S	Bend	trans	-78.2	-20.1	178.5	55	0	0	0	0	113.7	R97 L98 K103	R97-T115 HydrophobicContact CB-CG2 4.42Å; R97-T115 PolarHBondContact NH1-O 3.19Å; R97-T115 VanDerWaalsContact NH1-O 3.16Å; L98-T115 HydrophobicContact CD2-CG2 4.2Å; K103-T115 HydrophobicContact CG-CG2 3.77Å
116	K	80.8	Confident	84.2	Confident	99 Å²	99	71.9 Å²	71.9	43%	0.43	36%	0.364	S	S	.	.	S	Bend	trans	-132.3	137	-178.5	-69.2	-178.7	177.9	-177.9	0	110.2	V94 Y105 F114 S118 N119 L120	V94-K116 HydrophobicContact CG1-CD 4.01Å; V94-K116 HydrophobicContact CG1-CG 3.59Å; Y105-K116 VanDerWaalsContact CD2-C 3.41Å; F114-K116 VanDerWaalsContact C-N 3.35Å; K116-S118 VanDerWaalsContact C-N 3.27Å; K116-S118 PolarHBondContact O-N 3.26Å; K116-N119 HydrophobicContact CB-CB 4.38Å; K116-N119 WeakPolarHBondContact O-CB 3.33Å; K116-N119 PolarHBondContact O-N 3.28Å; K116-N119 VanDerWaalsContact O-N 3.11Å; K116-L120 PolarHBondContact O-N 3.31Å
117	S	81.8	Confident	84.1	Confident	64 Å²	64	70.4 Å²	70.4	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-39.6	173.2	176.4	0	0	0	0	112.3	Y105 N119 L120 K121	Y105-S117 VanDerWaalsContact CD2-N 3.29Å; Y105-S117 VanDerWaalsContact CE2-N 3.31Å; S117-N119 VanDerWaalsContact C-N 3.28Å; S117-N119 PolarHBondContact O-N 3.24Å; S117-L120 WeakPolarHBondContact O-CB 3.44Å; S117-L120 PolarHBondContact O-N 3.23Å; S117-L120 VanDerWaalsContact O-N 3.09Å; S117-K121 PolarHBondContact O-N 3.38Å
118	S	81.6	Confident	84	Confident	69 Å²	69	75.1 Å²	75.1	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-35	177.4	57	0	0	0	0	113.4	K116 K121 V122	K116-S118 VanDerWaalsContact C-N 3.27Å; K116-S118 PolarHBondContact O-N 3.26Å; S118-K121 PolarHBondContact O-N 3.04Å; S118-V122 WeakPolarHBondContact O-CG2 3.42Å; S118-V122 PolarHBondContact O-N 3.09Å
119	N	83.8	Confident	83.8	Confident	77 Å²	77	70.3 Å²	70.3	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-70.6	-38.7	175.5	-72.2	-11.5	0	0	0	111.5	F114 K116 S117 V122 H123	F114-N119 HydrophobicContact CB-CB 4.35Å; F114-N119 HydrophobicContact CD1-CB 3.94Å; F114-N119 HydrophobicContact CG-CB 4.46Å; K116-N119 HydrophobicContact CB-CB 4.38Å; K116-N119 WeakPolarHBondContact O-CB 3.33Å; K116-N119 PolarHBondContact O-N 3.28Å; K116-N119 VanDerWaalsContact O-N 3.11Å; S117-N119 VanDerWaalsContact C-N 3.28Å; S117-N119 PolarHBondContact O-N 3.24Å; N119-V122 PolarHBondContact O-N 3.03Å; N119-H123 WeakPolarHBondContact O-CB 3.43Å; N119-H123 PolarHBondContact O-N 3.05Å
120	L	84.8	Confident	83.8	Confident	20 Å²	20	68 Å²	68	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-46.7	172.1	174.3	62.2	0	0	0	110.7	K106 C107 F114 K116 S117 V122 H123 H124	K106-L120 WeakPolarHBondContact O-CD2 3.37Å; C107-L120 HydrophobicContact CB-CD1 3.62Å; F114-L120 HydrophobicContact CB-CB 4.21Å; F114-L120 HydrophobicContact CD2-CB 3.84Å; F114-L120 HydrophobicContact CD2-CD1 3.59Å; F114-L120 HydrophobicContact CD2-CG 4.3Å; F114-L120 HydrophobicContact CE2-CD1 3.7Å; F114-L120 HydrophobicContact CG-CB 4.1Å; K116-L120 PolarHBondContact O-N 3.31Å; S117-L120 WeakPolarHBondContact O-CB 3.44Å; S117-L120 PolarHBondContact O-N 3.23Å; S117-L120 VanDerWaalsContact O-N 3.09Å; L120-V122 VanDerWaalsContact C-N 3.33Å; L120-V122 PolarHBondContact O-N 3.15Å; L120-H123 CarbonylContact O-C 3.53Å; L120-H123 WeakPolarHBondContact O-CA 3.45Å; L120-H123 WeakPolarHBondContact O-CB 3.42Å; L120-H123 PolarHBondContact O-N 3.39Å; L120-H124 VanDerWaalsContact CD1-NE2 3.34Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.44Å; L120-H124 WeakPolarHBondContact CG-NE2 3.22Å; L120-H124 PolarHBondContact O-CD2 3.15Å; L120-H124 PolarHBondContact O-N 3.39Å
121	K	85.1	Confident	83.7	Confident	147 Å²	147	70.7 Å²	70.7	64%	0.639	37%	0.37	S	S	*	.	H	α-helix	trans	-58.5	-42.2	177	-171.5	171	-174.5	170.6	0	112.5	S117 S118 H123	S117-K121 PolarHBondContact O-N 3.38Å; S118-K121 PolarHBondContact O-N 3.04Å; K121-H123 VanDerWaalsContact C-N 3.33Å
122	V	82.1	Confident	83.6	Confident	38 Å²	38	72.3 Å²	72.3	23%	0.23	38%	0.375	C	S	.	.	H	α-helix	trans	-67.3	-36.2	174.4	171.8	0	0	0	0	111.5	S118 N119 L120 R125 Q144	S118-V122 WeakPolarHBondContact O-CG2 3.42Å; S118-V122 PolarHBondContact O-N 3.09Å; N119-V122 PolarHBondContact O-N 3.03Å; L120-V122 VanDerWaalsContact C-N 3.33Å; L120-V122 PolarHBondContact O-N 3.15Å; V122-R125 WeakPolarHBondContact O-CB 3.42Å; V122-R125 PolarHBondContact O-N 2.89Å; V122-Q144 HydrophobicContact CG1-CG 3.85Å; V122-Q144 VanDerWaalsContact CG1-NE2 3.27Å
123	H	86.2	Confident	83.4	Confident	17 Å²	17	70 Å²	70	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-39.1	176.5	168.9	68.1	0	0	0	112.8	C110 F114 N119 L120 K121 R125 L126 H127	C110-H123 PolarHBondContact SG-NE2 3.42Å; F114-H123 HydrophobicContact CE1-CB 3.75Å; F114-H123 AromaticContact CE1-CG 3.97Å; F114-H123 HydrophobicContact CE2-CB 4Å; F114-H123 AromaticContact CE2-CD2 3.39Å; F114-H123 WeakPolarHBondContact CE2-CD2 3.4Å; F114-H123 AromaticContact CE2-CG 3.71Å; F114-H123 HydrophobicContact CZ-CB 3.39Å; F114-H123 AromaticContact CZ-CD2 3.32Å; F114-H123 WeakPolarHBondContact CZ-CD2 3.41Å; F114-H123 AromaticContact CZ-CG 3.14Å; F114-H123 AromaticContact CZ-ND1 3.68Å; F114-H123 AromaticContact CZ-NE2 3.88Å; N119-H123 WeakPolarHBondContact O-CB 3.43Å; N119-H123 PolarHBondContact O-N 3.05Å; L120-H123 CarbonylContact O-C 3.53Å; L120-H123 WeakPolarHBondContact O-CA 3.45Å; L120-H123 WeakPolarHBondContact O-CB 3.42Å; L120-H123 PolarHBondContact O-N 3.39Å; K121-H123 VanDerWaalsContact C-N 3.33Å; H123-R125 PolarHBondContact O-N 3.09Å; H123-R125 VanDerWaalsContact O-N 3.11Å; H123-L126 VanDerWaalsContact O-CB 3.26Å; H123-L126 WeakPolarHBondContact O-CB 3.18Å; H123-L126 PolarHBondContact O-N 3.48Å; H123-H127 AromaticContact CE1-NE2 3.64Å; H123-H127 AromaticContact NE2-CD2 3.73Å; H123-H127 AromaticContact NE2-NE2 3.34Å; H123-H127 PolarHBondContact NE2-NE2 2.89Å
124	H	83.1	Confident	83.3	Confident	58 Å²	58	69 Å²	69	27%	0.269	36%	0.361	S	S	.	.	H	α-helix	trans	-55.5	-28.4	174.8	-80.2	-71.9	0	0	0	112.9	L120 L126 H127 T128	L120-H124 VanDerWaalsContact CD1-NE2 3.34Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.44Å; L120-H124 WeakPolarHBondContact CG-NE2 3.22Å; L120-H124 PolarHBondContact O-CD2 3.15Å; L120-H124 PolarHBondContact O-N 3.39Å; H124-L126 PolarHBondContact O-N 3.4Å; H124-H127 WeakPolarHBondContact O-CB 3.34Å; H124-H127 PolarHBondContact O-N 3.12Å; H124-T128 PolarHBondContact O-N 3.28Å; H124-T128 VanDerWaalsContact O-N 3.08Å; H124-T128 PolarHBondContact O-OG1 2.93Å
125	R	86.7	Confident	83.3	Confident	44 Å²	44	68 Å²	68	17%	0.166	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-22	174	-60.6	-174.8	-173.7	141.4	8.8	114	V122 H123 H127 G129 D130 T143	V122-R125 WeakPolarHBondContact O-CB 3.42Å; V122-R125 PolarHBondContact O-N 2.89Å; H123-R125 PolarHBondContact O-N 3.09Å; H123-R125 VanDerWaalsContact O-N 3.11Å; R125-H127 VanDerWaalsContact C-N 3.3Å; R125-G129 CarbonylContact O-C 3.52Å; R125-G129 WeakPolarHBondContact O-CA 3.29Å; R125-G129 PolarHBondContact O-N 3.31Å; R125-G129 VanDerWaalsContact O-N 3.1Å; R125-D130 HydrophobicContact CB-CB 4.37Å; R125-D130 HydrophobicContact CG-CB 4.31Å; R125-D130 IonicContact NE-OD2 3.22Å; R125-D130 PolarHBondContact O-N 3.43Å; R125-T143 PolarHBondContact NH1-O 3.24Å
126	L	80.4	Confident	83.5	Confident	121 Å²	121	73.5 Å²	73.5	63%	0.634	39%	0.385	S	S	*	.	H	α-helix	trans	-72	-29.6	174	-60.9	178.9	0	0	0	111.9	H123 H124	H123-L126 VanDerWaalsContact O-CB 3.26Å; H123-L126 WeakPolarHBondContact O-CB 3.18Å; H123-L126 PolarHBondContact O-N 3.48Å; H124-L126 PolarHBondContact O-N 3.4Å
127	H	84.9	Confident	83.4	Confident	67 Å²	67	75.6 Å²	75.6	31%	0.31	40%	0.397	S	S	.	.	H	α-helix	trans	-80.4	-49.5	178.6	-75.7	-80.7	0	0	0	111.7	E109 C110 H123 H124 R125 G129	E109-H127 WeakPolarHBondContact OE2-CB 3.25Å; E109-H127 IonicContact OE2-CE1 3.65Å; E109-H127 IonicContact OE2-CG 3.39Å; E109-H127 IonicContact OE2-ND1 3.9Å; E109-H127 PolarHBondContact OE2-ND1 3.02Å; C110-H127 PolarHBondContact SG-NE2 3.34Å; H123-H127 AromaticContact CE1-NE2 3.64Å; H123-H127 AromaticContact NE2-CD2 3.73Å; H123-H127 AromaticContact NE2-NE2 3.34Å; H123-H127 PolarHBondContact NE2-NE2 2.89Å; H124-H127 WeakPolarHBondContact O-CB 3.34Å; H124-H127 PolarHBondContact O-N 3.12Å; R125-H127 VanDerWaalsContact C-N 3.3Å; H127-G129 PolarHBondContact O-N 2.83Å
128	T	85.4	Confident	83.6	Confident	99 Å²	99	74.8 Å²	74.8	61%	0.607	39%	0.39	S	S	*	.	H	α-helix	trans	-73.5	-15.1	179.7	61.6	0	0	0	0	113.2	H124 D130	H124-T128 PolarHBondContact O-N 3.28Å; H124-T128 VanDerWaalsContact O-N 3.08Å; H124-T128 PolarHBondContact O-OG1 2.93Å; T128-D130 PolarHBondContact O-N 3.09Å; T128-D130 VanDerWaalsContact OG1-CB 3.25Å; T128-D130 WeakPolarHBondContact OG1-CB 3.13Å; T128-D130 PolarHBondContact OG1-N 3.03Å
129	G	82.1	Confident	83.6	Confident	45 Å²	45	73 Å²	73	46%	0.464	38%	0.383	S	S	.	.			trans	71	6.9	-171.4	0	0	0	0	0	113.7	R125 H127 K131	R125-G129 CarbonylContact O-C 3.52Å; R125-G129 WeakPolarHBondContact O-CA 3.29Å; R125-G129 PolarHBondContact O-N 3.31Å; R125-G129 VanDerWaalsContact O-N 3.1Å; H127-G129 PolarHBondContact O-N 2.83Å; G129-K131 PolarHBondContact O-N 3.36Å
130	D	83.5	Confident	83.7	Confident	72 Å²	72	75 Å²	75	39%	0.385	39%	0.388	S	S	.	.			trans	-60.7	123.4	-178.3	176.8	29.7	0	0	0	111.5	R125 T128 P132	R125-D130 HydrophobicContact CB-CB 4.37Å; R125-D130 HydrophobicContact CG-CB 4.31Å; R125-D130 IonicContact NE-OD2 3.22Å; R125-D130 PolarHBondContact O-N 3.43Å; T128-D130 PolarHBondContact O-N 3.09Å; T128-D130 VanDerWaalsContact OG1-CB 3.25Å; T128-D130 WeakPolarHBondContact OG1-CB 3.13Å; T128-D130 PolarHBondContact OG1-N 3.03Å; D130-P132 WeakPolarHBondContact OD1-CD 3.46Å; D130-P132 WeakPolarHBondContact OD1-CG 3.45Å; D130-P132 WeakPolarHBondContact OD2-CG 3.48Å
131	K	85.2	Confident	83.8	Confident	109 Å²	109	79.1 Å²	79.1	47%	0.474	41%	0.405	S	S	.	.			trans	-131	76.3	179.6	-69.1	169.7	-177.5	174.4	0	109.4	G129 Y133 F141 F142 T143	G129-K131 PolarHBondContact O-N 3.36Å; K131-Y133 PolarHBondContact O-N 3.46Å; K131-Y133 VanDerWaalsContact O-N 3.08Å; K131-F141 HydrophobicContact CB-CB 3.53Å; K131-F141 HydrophobicContact CD-CB 4.14Å; K131-F141 HydrophobicContact CG-CB 4.47Å; K131-F141 WeakPolarHBondContact O-CD1 3.44Å; K131-F142 CarbonylContact C-O 3.31Å; K131-F142 VanDerWaalsContact C-O 3.27Å; K131-F142 WeakPolarHBondContact CA-O 3.48Å; K131-T143 HydrophobicContact CG-CG2 3.71Å
132	P	82.4	Confident	83.7	Confident	64 Å²	64	74 Å²	74	42%	0.416	38%	0.383	S	S	.	.			trans	-62.4	-24.3	-171.4	-23	32.9	0	0	0	114	D130 K134	D130-P132 WeakPolarHBondContact OD1-CD 3.46Å; D130-P132 WeakPolarHBondContact OD1-CG 3.45Å; D130-P132 WeakPolarHBondContact OD2-CG 3.48Å; P132-K134 PolarHBondContact O-N 2.82Å
133	Y	82.2	Confident	83.7	Confident	76 Å²	76	73 Å²	73	30%	0.298	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	98.5	-168.6	-57	-71.8	0	0	0	110.9	K131 F141 F142 Q144 V145	K131-Y133 PolarHBondContact O-N 3.46Å; K131-Y133 VanDerWaalsContact O-N 3.08Å; Y133-F141 CarbonylContact O-C 3.57Å; Y133-F141 WeakPolarHBondContact O-CA 3.49Å; Y133-F142 WeakPolarHBondContact CB-O 3.15Å; Y133-F142 WeakPolarHBondContact CD2-O 3.36Å; Y133-F142 PolarHBondContact N-O 3.05Å; Y133-F142 VanDerWaalsContact N-O 3.11Å; Y133-F142 PolarHBondContact O-N 3.46Å; Y133-Q144 VanDerWaalsContact CD2-C 3.48Å; Y133-V145 HydrophobicContact CD1-CG2 3.59Å; Y133-V145 HydrophobicContact CD2-CG2 4.29Å; Y133-V145 HydrophobicContact CE1-CB 4.43Å; Y133-V145 HydrophobicContact CE1-CG2 3.14Å; Y133-V145 HydrophobicContact CE2-CG2 3.91Å; Y133-V145 HydrophobicContact CG-CG2 4.13Å
134	K	85.2	Confident	83.6	Confident	104 Å²	104	75 Å²	75	45%	0.452	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.3	175.7	-168.7	-177.2	180	-177.1	0	111.7	P132 K140 F141	P132-K134 PolarHBondContact O-N 2.82Å; K134-K140 CarbonylContact C-O 3.52Å; K134-F141 HydrophobicContact CB-CD1 3.7Å; K134-F141 HydrophobicContact CB-CE1 3.62Å; K134-F141 HydrophobicContact CB-CG 4.46Å; K134-F141 HydrophobicContact CB-CZ 4.29Å; K134-F141 HydrophobicContact CD-CE1 3.69Å; K134-F141 HydrophobicContact CD-CE2 4.36Å; K134-F141 HydrophobicContact CD-CZ 3.6Å; K134-F141 HydrophobicContact CG-CD1 3.96Å; K134-F141 HydrophobicContact CG-CE1 3.62Å; K134-F141 HydrophobicContact CG-CE2 4.22Å; K134-F141 HydrophobicContact CG-CG 4.42Å; K134-F141 HydrophobicContact CG-CZ 3.76Å
135	Y	82.6	Confident	83.5	Confident	18 Å²	18	75 Å²	75	7%	0.071	39%	0.39	C	S	.	.			trans	-100.4	121.2	160.3	-166.9	-121.8	0	0	0	110.2	E137 C138 G139 K140 L148 K152 H155	Y135-E137 HydrophobicContact CD1-CB 4.13Å; Y135-E137 HydrophobicContact CE1-CB 3.6Å; Y135-E137 HydrophobicContact CE1-CG 4Å; Y135-E137 WeakPolarHBondContact CE1-OE2 3.31Å; Y135-E137 PolarHBondContact OH-OE1 3.1Å; Y135-E137 PolarHBondContact OH-OE2 3.37Å; Y135-C138 HydrophobicContact CD1-CB 4.31Å; Y135-G139 VanDerWaalsContact O-CA 3.24Å; Y135-G139 WeakPolarHBondContact O-CA 3.23Å; Y135-G139 PolarHBondContact O-N 3.09Å; Y135-K140 PolarHBondContact N-O 3.39Å; Y135-L148 HydrophobicContact CD2-CD1 3.92Å; Y135-L148 HydrophobicContact CG-CD1 4.08Å; Y135-K152 HydrophobicContact CD2-CD 4.1Å; Y135-K152 HydrophobicContact CD2-CG 3.75Å; Y135-K152 HydrophobicContact CE2-CB 4.22Å; Y135-K152 HydrophobicContact CE2-CD 3.64Å; Y135-K152 HydrophobicContact CE2-CG 3.45Å; Y135-K152 VanDerWaalsContact CE2-CG 3.45Å; Y135-H155 AromaticContact CD1-CD2 3.72Å; Y135-H155 AromaticContact CD1-NE2 3.75Å; Y135-H155 HydrophobicContact CE1-CB 4.28Å; Y135-H155 AromaticContact CE1-CD2 3.16Å; Y135-H155 WeakPolarHBondContact CE1-CD2 3.33Å; Y135-H155 AromaticContact CE1-CG 3.73Å; Y135-H155 AromaticContact CE1-NE2 3.59Å
136	N	82.7	Confident	83.3	Confident	135 Å²	135	75.6 Å²	75.6	72%	0.722	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-38.5	-169.4	-69.9	-10.5	0	0	0	113.5	C138	N136-C138 PolarHBondContact O-N 3.25Å
137	E	80.4	Confident	83.6	Confident	144 Å²	144	75.6 Å²	75.6	67%	0.673	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.9	-174.5	-61.2	172	179	0	0	113.5	Y135	Y135-E137 HydrophobicContact CD1-CB 4.13Å; Y135-E137 HydrophobicContact CE1-CB 3.6Å; Y135-E137 HydrophobicContact CE1-CG 4Å; Y135-E137 WeakPolarHBondContact CE1-OE2 3.31Å; Y135-E137 PolarHBondContact OH-OE1 3.1Å; Y135-E137 PolarHBondContact OH-OE2 3.37Å
138	C	84.6	Confident	83.6	Confident	46 Å²	46	73.2 Å²	73.2	31%	0.311	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.8	-179.4	78.5	0	0	0	0	113.9	Y135 N136 K140 H151	Y135-C138 HydrophobicContact CD1-CB 4.31Å; N136-C138 PolarHBondContact O-N 3.25Å; C138-K140 PolarHBondContact O-N 3.12Å; C138-K140 VanDerWaalsContact O-N 3.14Å; C138-K140 WeakPolarHBondContact SG-CB 3.41Å; C138-K140 VanDerWaalsContact SG-CG 3.52Å; C138-K140 PolarHBondContact SG-N 3.4Å; C138-K140 VanDerWaalsContact SG-N 3.4Å; C138-H151 PolarHBondContact SG-NE2 3.14Å
139	G	82.8	Confident	83.6	Confident	31 Å²	31	75 Å²	75	32%	0.32	38%	0.383	S	S	.	.			trans	66.1	7.3	-176.7	0	0	0	0	0	115.5	Y135 F141	Y135-G139 VanDerWaalsContact O-CA 3.24Å; Y135-G139 WeakPolarHBondContact O-CA 3.23Å; Y135-G139 PolarHBondContact O-N 3.09Å; G139-F141 WeakPolarHBondContact O-CD2 3.37Å; G139-F141 WeakPolarHBondContact O-CE2 3.44Å
140	K	84.3	Confident	83.8	Confident	120 Å²	120	74.5 Å²	74.5	52%	0.522	37%	0.37	S	S	.	.			trans	-76.6	140.3	-178.3	-71.2	-179.4	178.7	176.6	0	111.8	K134 Y135 C138 F142	K134-K140 CarbonylContact C-O 3.52Å; Y135-K140 PolarHBondContact N-O 3.39Å; C138-K140 PolarHBondContact O-N 3.12Å; C138-K140 VanDerWaalsContact O-N 3.14Å; C138-K140 WeakPolarHBondContact SG-CB 3.41Å; C138-K140 VanDerWaalsContact SG-CG 3.52Å; C138-K140 PolarHBondContact SG-N 3.4Å; C138-K140 VanDerWaalsContact SG-N 3.4Å; K140-F142 HydrophobicContact CB-CE2 3.92Å; K140-F142 HydrophobicContact CB-CZ 3.98Å
141	F	87.1	Confident	84	Confident	107 Å²	107	71.9 Å²	71.9	47%	0.469	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.6	178.2	-64.1	-98.9	0	0	0	111.5	K131 Y133 K134 G139	K131-F141 HydrophobicContact CB-CB 3.53Å; K131-F141 HydrophobicContact CD-CB 4.14Å; K131-F141 HydrophobicContact CG-CB 4.47Å; K131-F141 WeakPolarHBondContact O-CD1 3.44Å; Y133-F141 CarbonylContact O-C 3.57Å; Y133-F141 WeakPolarHBondContact O-CA 3.49Å; K134-F141 HydrophobicContact CB-CD1 3.7Å; K134-F141 HydrophobicContact CB-CE1 3.62Å; K134-F141 HydrophobicContact CB-CG 4.46Å; K134-F141 HydrophobicContact CB-CZ 4.29Å; K134-F141 HydrophobicContact CD-CE1 3.69Å; K134-F141 HydrophobicContact CD-CE2 4.36Å; K134-F141 HydrophobicContact CD-CZ 3.6Å; K134-F141 HydrophobicContact CG-CD1 3.96Å; K134-F141 HydrophobicContact CG-CE1 3.62Å; K134-F141 HydrophobicContact CG-CE2 4.22Å; K134-F141 HydrophobicContact CG-CG 4.42Å; K134-F141 HydrophobicContact CG-CZ 3.76Å; G139-F141 WeakPolarHBondContact O-CD2 3.37Å; G139-F141 WeakPolarHBondContact O-CE2 3.44Å
142	F	83.1	Confident	84.1	Confident	38 Å²	38	71.3 Å²	71.3	17%	0.167	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.1	-178.5	-59.5	-86.8	0	0	0	111.3	K131 Y133 K140 Q144 L148 H151	K131-F142 CarbonylContact C-O 3.31Å; K131-F142 VanDerWaalsContact C-O 3.27Å; K131-F142 WeakPolarHBondContact CA-O 3.48Å; Y133-F142 WeakPolarHBondContact CB-O 3.15Å; Y133-F142 WeakPolarHBondContact CD2-O 3.36Å; Y133-F142 PolarHBondContact N-O 3.05Å; Y133-F142 VanDerWaalsContact N-O 3.11Å; Y133-F142 PolarHBondContact O-N 3.46Å; K140-F142 HydrophobicContact CB-CE2 3.92Å; K140-F142 HydrophobicContact CB-CZ 3.98Å; F142-Q144 VanDerWaalsContact C-N 3.31Å; F142-L148 HydrophobicContact CB-CB 4.31Å; F142-L148 HydrophobicContact CD2-CB 3.93Å; F142-L148 HydrophobicContact CD2-CD1 3.7Å; F142-L148 HydrophobicContact CD2-CG 4.43Å; F142-L148 HydrophobicContact CE2-CD1 3.89Å; F142-L148 HydrophobicContact CG-CB 4.22Å; F142-H151 HydrophobicContact CE1-CB 3.8Å; F142-H151 AromaticContact CE1-CG 3.95Å; F142-H151 HydrophobicContact CE2-CB 3.91Å; F142-H151 AromaticContact CE2-CD2 3.58Å; F142-H151 AromaticContact CE2-CG 3.78Å; F142-H151 HydrophobicContact CZ-CB 3.37Å; F142-H151 AromaticContact CZ-CD2 3.35Å; F142-H151 WeakPolarHBondContact CZ-CD2 3.48Å; F142-H151 AromaticContact CZ-CG 3.15Å; F142-H151 AromaticContact CZ-ND1 3.69Å; F142-H151 AromaticContact CZ-NE2 3.97Å
143	T	82.1	Confident	84.4	Confident	19 Å²	19	71.1 Å²	71.1	12%	0.117	34%	0.344	C	S	.	.	S	Bend	trans	-76	-19.5	177.7	56.4	0	0	0	0	113	R125 K131	R125-T143 PolarHBondContact NH1-O 3.24Å; K131-T143 HydrophobicContact CG-CG2 3.71Å
144	Q	83.7	Confident	84.6	Confident	57 Å²	57	72.2 Å²	72.2	27%	0.266	35%	0.354	S	S	.	.	S	Bend	trans	-140.9	146.6	-178.1	-59.8	-175	37.6	0	0	111.9	V122 Y133 F142 S146 Y147 L148	V122-Q144 HydrophobicContact CG1-CG 3.85Å; V122-Q144 VanDerWaalsContact CG1-NE2 3.27Å; Y133-Q144 VanDerWaalsContact CD2-C 3.48Å; F142-Q144 VanDerWaalsContact C-N 3.31Å; Q144-S146 VanDerWaalsContact C-N 3.29Å; Q144-S146 PolarHBondContact O-N 3.47Å; Q144-Y147 HydrophobicContact CB-CD2 3.86Å; Q144-Y147 HydrophobicContact CB-CE2 4.2Å; Q144-Y147 HydrophobicContact CB-CG 4.4Å; Q144-Y147 HydrophobicContact CG-CD2 4.23Å; Q144-Y147 HydrophobicContact CG-CE2 4.11Å; Q144-Y147 PolarHBondContact O-N 2.79Å; Q144-L148 PolarHBondContact O-N 3.14Å
145	V	82.6	Confident	84.6	Confident	58 Å²	58	71.2 Å²	71.2	35%	0.352	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-38.4	176.2	-177.5	0	0	0	0	112	Y133 Y147 L148 K149	Y133-V145 HydrophobicContact CD1-CG2 3.59Å; Y133-V145 HydrophobicContact CD2-CG2 4.29Å; Y133-V145 HydrophobicContact CE1-CB 4.43Å; Y133-V145 HydrophobicContact CE1-CG2 3.14Å; Y133-V145 HydrophobicContact CE2-CG2 3.91Å; Y133-V145 HydrophobicContact CG-CG2 4.13Å; V145-Y147 VanDerWaalsContact C-N 3.32Å; V145-Y147 PolarHBondContact O-N 3.22Å; V145-L148 WeakPolarHBondContact O-CB 3.37Å; V145-L148 PolarHBondContact O-N 3.45Å; V145-K149 HydrophobicContact CG1-CD 4.29Å; V145-K149 HydrophobicContact CG1-CG 4.28Å; V145-K149 WeakPolarHBondContact O-CG 3.4Å; V145-K149 PolarHBondContact O-N 2.96Å
146	S	82.8	Confident	84.9	Confident	57 Å²	57	75 Å²	75	40%	0.399	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-42.4	180	52.9	0	0	0	0	111.9	Q144 K149 V150	Q144-S146 VanDerWaalsContact C-N 3.29Å; Q144-S146 PolarHBondContact O-N 3.47Å; S146-K149 PolarHBondContact O-N 2.74Å; S146-V150 WeakPolarHBondContact O-CG2 3.28Å; S146-V150 PolarHBondContact O-N 3.1Å
147	Y	85.5	Confident	85.1	Confident	121 Å²	121	70.6 Å²	70.6	48%	0.475	36%	0.363	S	S	.	.	H	α-helix	trans	-68	-39.8	175.9	-59.9	-32.1	0	0	0	112.1	Q144 V145 V150 H151	Q144-Y147 HydrophobicContact CB-CD2 3.86Å; Q144-Y147 HydrophobicContact CB-CE2 4.2Å; Q144-Y147 HydrophobicContact CB-CG 4.4Å; Q144-Y147 HydrophobicContact CG-CD2 4.23Å; Q144-Y147 HydrophobicContact CG-CE2 4.11Å; Q144-Y147 PolarHBondContact O-N 2.79Å; V145-Y147 VanDerWaalsContact C-N 3.32Å; V145-Y147 PolarHBondContact O-N 3.22Å; Y147-V150 PolarHBondContact O-N 3.27Å; Y147-H151 WeakPolarHBondContact O-CB 3.37Å; Y147-H151 PolarHBondContact O-N 3.32Å
148	L	85.4	Confident	85.5	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-58.2	-50.5	171.6	174	65.4	0	0	0	110.8	Y135 F142 Q144 V145 V150 H151 K152	Y135-L148 HydrophobicContact CD2-CD1 3.92Å; Y135-L148 HydrophobicContact CG-CD1 4.08Å; F142-L148 HydrophobicContact CB-CB 4.31Å; F142-L148 HydrophobicContact CD2-CB 3.93Å; F142-L148 HydrophobicContact CD2-CD1 3.7Å; F142-L148 HydrophobicContact CD2-CG 4.43Å; F142-L148 HydrophobicContact CE2-CD1 3.89Å; F142-L148 HydrophobicContact CG-CB 4.22Å; Q144-L148 PolarHBondContact O-N 3.14Å; V145-L148 WeakPolarHBondContact O-CB 3.37Å; V145-L148 PolarHBondContact O-N 3.45Å; L148-V150 VanDerWaalsContact C-N 3.32Å; L148-V150 PolarHBondContact O-N 3.01Å; L148-H151 WeakPolarHBondContact O-CA 2.81Å; L148-H151 WeakPolarHBondContact O-CB 3.19Å; L148-H151 PolarHBondContact O-N 2.85Å; L148-K152 HydrophobicContact CD1-CG 4.44Å; L148-K152 WeakPolarHBondContact O-CG 3.16Å; L148-K152 PolarHBondContact O-N 3.14Å
149	K	86	Confident	85.8	Confident	136 Å²	136	70 Å²	70	59%	0.591	36%	0.356	S	S	*	.	H	α-helix	trans	-56.4	-44.3	179.3	-75.7	-178.2	178.3	-177	0	112.1	V145 S146 K152	V145-K149 HydrophobicContact CG1-CD 4.29Å; V145-K149 HydrophobicContact CG1-CG 4.28Å; V145-K149 WeakPolarHBondContact O-CG 3.4Å; V145-K149 PolarHBondContact O-N 2.96Å; S146-K149 PolarHBondContact O-N 2.74Å; K149-K152 PolarHBondContact O-N 3.34Å
150	V	85.2	Confident	86.2	Confident	34 Å²	34	71.6 Å²	71.6	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-39.7	175.2	173.3	0	0	0	0	111.1	S146 Y147 L148 K152 R153 Q172	S146-V150 WeakPolarHBondContact O-CG2 3.28Å; S146-V150 PolarHBondContact O-N 3.1Å; Y147-V150 PolarHBondContact O-N 3.27Å; L148-V150 VanDerWaalsContact C-N 3.32Å; L148-V150 PolarHBondContact O-N 3.01Å; V150-K152 PolarHBondContact O-N 2.91Å; V150-R153 WeakPolarHBondContact O-CB 3.37Å; V150-R153 PolarHBondContact O-N 2.92Å; V150-Q172 HydrophobicContact CG1-CG 3.72Å; V150-Q172 HydrophobicContact CG2-CG 4.24Å
151	H	88.2	Confident	86.5	Confident	18 Å²	18	69.6 Å²	69.6	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-39.4	178.2	-178.4	67.4	0	0	0	112.7	C138 F142 Y147 L148 R153 I154 H155	C138-H151 PolarHBondContact SG-NE2 3.14Å; F142-H151 HydrophobicContact CE1-CB 3.8Å; F142-H151 AromaticContact CE1-CG 3.95Å; F142-H151 HydrophobicContact CE2-CB 3.91Å; F142-H151 AromaticContact CE2-CD2 3.58Å; F142-H151 AromaticContact CE2-CG 3.78Å; F142-H151 HydrophobicContact CZ-CB 3.37Å; F142-H151 AromaticContact CZ-CD2 3.35Å; F142-H151 WeakPolarHBondContact CZ-CD2 3.48Å; F142-H151 AromaticContact CZ-CG 3.15Å; F142-H151 AromaticContact CZ-ND1 3.69Å; F142-H151 AromaticContact CZ-NE2 3.97Å; Y147-H151 WeakPolarHBondContact O-CB 3.37Å; Y147-H151 PolarHBondContact O-N 3.32Å; L148-H151 WeakPolarHBondContact O-CA 2.81Å; L148-H151 WeakPolarHBondContact O-CB 3.19Å; L148-H151 PolarHBondContact O-N 2.85Å; H151-R153 PolarHBondContact O-N 3.13Å; H151-R153 VanDerWaalsContact O-N 3.16Å; H151-I154 VanDerWaalsContact O-CB 3.3Å; H151-I154 WeakPolarHBondContact O-CB 3.48Å; H151-I154 PolarHBondContact O-N 3.47Å; H151-H155 AromaticContact CD2-NE2 3.86Å; H151-H155 AromaticContact CE1-NE2 3.66Å; H151-H155 AromaticContact NE2-CD2 3.72Å; H151-H155 AromaticContact NE2-NE2 3.07Å; H151-H155 PolarHBondContact NE2-NE2 3.05Å
152	K	87.1	Confident	86.6	Confident	96 Å²	96	70.6 Å²	70.6	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-52.5	-38.4	176.1	-64	-158.1	175.5	-174.2	0	111.8	Y135 L148 K149 V150 I154 H155 T156	Y135-K152 HydrophobicContact CD2-CD 4.1Å; Y135-K152 HydrophobicContact CD2-CG 3.75Å; Y135-K152 HydrophobicContact CE2-CB 4.22Å; Y135-K152 HydrophobicContact CE2-CD 3.64Å; Y135-K152 HydrophobicContact CE2-CG 3.45Å; Y135-K152 VanDerWaalsContact CE2-CG 3.45Å; L148-K152 HydrophobicContact CD1-CG 4.44Å; L148-K152 WeakPolarHBondContact O-CG 3.16Å; L148-K152 PolarHBondContact O-N 3.14Å; K149-K152 PolarHBondContact O-N 3.34Å; V150-K152 PolarHBondContact O-N 2.91Å; K152-I154 PolarHBondContact O-N 3.3Å; K152-I154 VanDerWaalsContact O-N 3.17Å; K152-H155 PolarHBondContact O-N 3.21Å; K152-T156 PolarHBondContact O-N 3.16Å; K152-T156 VanDerWaalsContact O-N 3.14Å
153	R	89.1	Confident	87.1	Confident	61 Å²	61	68.8 Å²	68.8	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-26.4	178.8	-59.6	-179	178	157.5	0.9	113.8	V150 H151 H155 T156 G157 D158 F171	V150-R153 WeakPolarHBondContact O-CB 3.37Å; V150-R153 PolarHBondContact O-N 2.92Å; H151-R153 PolarHBondContact O-N 3.13Å; H151-R153 VanDerWaalsContact O-N 3.16Å; R153-H155 VanDerWaalsContact C-N 3.3Å; R153-H155 PolarHBondContact O-N 3.22Å; R153-T156 WeakPolarHBondContact CA-OG1 3.46Å; R153-T156 PolarHBondContact O-OG1 3.47Å; R153-G157 CarbonylContact O-C 3.31Å; R153-G157 WeakPolarHBondContact O-CA 3.41Å; R153-G157 PolarHBondContact O-N 3.03Å; R153-D158 WeakPolarHBondContact CB-O 3.34Å; R153-D158 PolarHBondContact O-N 3.49Å; R153-F171 HydrophobicContact CB-CD1 3.58Å; R153-F171 HydrophobicContact CB-CE1 4.13Å; R153-F171 HydrophobicContact CB-CG 4.49Å; R153-F171 PolarHBondContact NH1-O 3.46Å; R153-F171 WeakPolarHBondContact O-CE1 3.35Å
154	I	85.9	Confident	87.5	Confident	98 Å²	98	75.2 Å²	75.2	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-35.9	176.8	-58.8	177.2	0	0	0	110.8	H151 K152	H151-I154 VanDerWaalsContact O-CB 3.3Å; H151-I154 WeakPolarHBondContact O-CB 3.48Å; H151-I154 PolarHBondContact O-N 3.47Å; K152-I154 PolarHBondContact O-N 3.3Å; K152-I154 VanDerWaalsContact O-N 3.17Å
155	H	86.2	Confident	87.8	Confident	83 Å²	83	78.3 Å²	78.3	38%	0.384	40%	0.395	S	S	.	.	H	α-helix	trans	-80.4	-42.3	179.1	-64.7	-75.1	0	0	0	112	Y135 H151 K152 R153 G157	Y135-H155 AromaticContact CD1-CD2 3.72Å; Y135-H155 AromaticContact CD1-NE2 3.75Å; Y135-H155 HydrophobicContact CE1-CB 4.28Å; Y135-H155 AromaticContact CE1-CD2 3.16Å; Y135-H155 WeakPolarHBondContact CE1-CD2 3.33Å; Y135-H155 AromaticContact CE1-CG 3.73Å; Y135-H155 AromaticContact CE1-NE2 3.59Å; H151-H155 AromaticContact CD2-NE2 3.86Å; H151-H155 AromaticContact CE1-NE2 3.66Å; H151-H155 AromaticContact NE2-CD2 3.72Å; H151-H155 AromaticContact NE2-NE2 3.07Å; H151-H155 PolarHBondContact NE2-NE2 3.05Å; K152-H155 PolarHBondContact O-N 3.21Å; R153-H155 VanDerWaalsContact C-N 3.3Å; R153-H155 PolarHBondContact O-N 3.22Å; H155-G157 PolarHBondContact O-N 3.44Å
156	T	87.4	Confident	88.2	Confident	98 Å²	98	77.2 Å²	77.2	60%	0.601	39%	0.39	S	S	*	.	H	α-helix	trans	-73.6	-15.5	177.8	63.6	0	0	0	0	113	K152 R153 D158	K152-T156 PolarHBondContact O-N 3.16Å; K152-T156 VanDerWaalsContact O-N 3.14Å; R153-T156 WeakPolarHBondContact CA-OG1 3.46Å; R153-T156 PolarHBondContact O-OG1 3.47Å; T156-D158 PolarHBondContact O-N 2.86Å; T156-D158 VanDerWaalsContact OG1-CB 3.27Å; T156-D158 WeakPolarHBondContact OG1-CB 3.39Å; T156-D158 PolarHBondContact OG1-N 3.1Å
157	G	87.3	Confident	88.5	Confident	43 Å²	43	83.2 Å²	83.2	44%	0.443	41%	0.412	S	S	.	.			trans	70.3	3.6	-172.2	0	0	0	0	0	114	R153 H155 K159	R153-G157 CarbonylContact O-C 3.31Å; R153-G157 WeakPolarHBondContact O-CA 3.41Å; R153-G157 PolarHBondContact O-N 3.03Å; H155-G157 PolarHBondContact O-N 3.44Å; G157-K159 PolarHBondContact O-N 3.37Å
158	D	89.5	Confident	88.9	Confident	77 Å²	77	83.4 Å²	83.4	41%	0.412	42%	0.415	S	S	.	.			trans	-63.1	116.8	-177.7	173.6	30.7	0	0	0	111.2	R153 T156 P160 F171	R153-D158 WeakPolarHBondContact CB-O 3.34Å; R153-D158 PolarHBondContact O-N 3.49Å; T156-D158 PolarHBondContact O-N 2.86Å; T156-D158 VanDerWaalsContact OG1-CB 3.27Å; T156-D158 WeakPolarHBondContact OG1-CB 3.39Å; T156-D158 PolarHBondContact OG1-N 3.1Å; D158-P160 WeakPolarHBondContact O-CD 3.46Å; D158-P160 WeakPolarHBondContact OD1-CD 3.36Å; D158-P160 WeakPolarHBondContact OD1-CG 3.41Å; D158-P160 WeakPolarHBondContact OD2-CG 3.49Å; D158-F171 WeakPolarHBondContact O-CD1 3.44Å; D158-F171 VanDerWaalsContact O-CE1 3.26Å; D158-F171 WeakPolarHBondContact O-CE1 3.4Å
159	K	91.5	Very high	89.3	Confident	99 Å²	99	84.2 Å²	84.2	43%	0.43	42%	0.422	S	S	.	.			trans	-122.8	78.4	179.9	-70.8	164.4	177.4	178.9	0	109.6	G157 Y161 S169 F170 F171	G157-K159 PolarHBondContact O-N 3.37Å; K159-Y161 PolarHBondContact O-N 2.78Å; K159-S169 VanDerWaalsContact CB-CB 3.49Å; K159-S169 WeakPolarHBondContact CD-O 3.32Å; K159-F170 CarbonylContact C-O 3.5Å; K159-F170 WeakPolarHBondContact CA-O 3.5Å; K159-F171 HydrophobicContact CD-CE1 4.36Å; K159-F171 HydrophobicContact CD-CZ 4.25Å; K159-F171 VanDerWaalsContact CE-CZ 3.42Å; K159-F171 HydrophobicContact CG-CD1 3.75Å; K159-F171 HydrophobicContact CG-CE1 3.46Å; K159-F171 VanDerWaalsContact CG-CE1 3.46Å; K159-F171 HydrophobicContact CG-CE2 4.34Å; K159-F171 HydrophobicContact CG-CG 4.3Å; K159-F171 HydrophobicContact CG-CZ 3.81Å
160	P	89.3	Confident	89.5	Confident	66 Å²	66	79.7 Å²	79.7	43%	0.429	40%	0.403	S	S	.	.			trans	-62.2	-22.9	-171.8	-23.9	33.2	0	0	0	114.3	D158 K162	D158-P160 WeakPolarHBondContact O-CD 3.46Å; D158-P160 WeakPolarHBondContact OD1-CD 3.36Å; D158-P160 WeakPolarHBondContact OD1-CG 3.41Å; D158-P160 WeakPolarHBondContact OD2-CG 3.49Å; P160-K162 PolarHBondContact O-N 3.1Å
161	Y	90.6	Very high	89.7	Confident	77 Å²	77	80.7 Å²	80.7	30%	0.302	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	90.6	-172.9	-55.4	-73.3	0	0	0	110	K159 S169 F170 Y173	K159-Y161 PolarHBondContact O-N 2.78Å; Y161-S169 CarbonylContact O-C 3.55Å; Y161-S169 WeakPolarHBondContact O-CA 3.22Å; Y161-F170 WeakPolarHBondContact CD2-O 3.39Å; Y161-F170 PolarHBondContact N-O 2.8Å; Y161-F170 PolarHBondContact O-N 2.9Å; Y161-Y173 AromaticContact CD1-CD2 3.84Å; Y161-Y173 HydrophobicContact CD1-CD2 3.84Å; Y161-Y173 HydrophobicContact CD1-CG 4.36Å; Y161-Y173 VanDerWaalsContact CD2-N 3.32Å; Y161-Y173 HydrophobicContact CE1-CD2 4.12Å; Y161-Y173 HydrophobicContact CE1-CG 4.33Å
162	K	91.1	Very high	89.7	Confident	128 Å²	128	82.5 Å²	82.5	56%	0.557	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.1	177.3	-174.4	171.8	178	-174	0	111.1	P160 S169	P160-K162 PolarHBondContact O-N 3.1Å; K162-S169 WeakPolarHBondContact CG-OG 3.36Å
163	C	93.4	Very high	89.8	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.007	42%	0.419	C	S	.	.			trans	-80.4	136.9	167.8	-173.7	0	0	0	0	109.5	C166 K168 L176	C163-C166 CarbonylContact C-O 3.5Å; C163-K168 WeakPolarHBondContact CB-O 3.25Å; C163-K168 PolarHBondContact N-O 3.29Å; C163-L176 HydrophobicContact CB-CD1 3.83Å
164	N	89.9	Confident	89.7	Confident	154 Å²	154	84.8 Å²	84.8	82%	0.824	43%	0.43	S	S	*	.	S	Bend	trans	-82	-23.6	179.5	-66.3	-6.5	0	0	0	112.1
165	E	89.1	Confident	90	Very high	121 Å²	121	84.4 Å²	84.4	57%	0.565	43%	0.426	S	S	*	.	S	Bend	trans	-91.8	-16.3	-177.1	-61.6	-176.2	-138.2	0	0	113.4	H183	E165-H183 WeakPolarHBondContact OE2-CB 3.44Å; E165-H183 IonicContact OE2-CG 3.88Å; E165-H183 VanDerWaalsContact OE2-CG 3.28Å; E165-H183 IonicContact OE2-ND1 3.73Å; E165-H183 PolarHBondContact OE2-ND1 3.37Å
166	C	92.4	Very high	90.2	Very high	36 Å²	36	81.1 Å²	81.1	24%	0.243	41%	0.411	C	S	.	.	S	Bend	trans	-147.8	164.2	170.9	73.6	0	0	0	0	111.3	C163 K168 H179 H183	C163-C166 CarbonylContact C-O 3.5Å; C166-K168 PolarHBondContact O-N 3.38Å; C166-H179 PolarHBondContact SG-NE2 3.07Å; C166-H183 PolarHBondContact SG-NE2 2.85Å
167	E	88.8	Confident	90.4	Very high	183 Å²	183	82.3 Å²	82.3	86%	0.855	41%	0.408	S	S	*	.	S	Bend	trans	-71.5	6.9	-175.6	-60.9	177.8	171.2	0	0	114.6
168	K	93.1	Very high	90.5	Very high	124 Å²	124	82.6 Å²	82.6	54%	0.539	40%	0.398	S	S	.	.			trans	-77.1	136.7	-178.6	-67.5	-179.6	-179.1	171.2	0	111.2	C163 C166 F170	C163-K168 WeakPolarHBondContact CB-O 3.25Å; C163-K168 PolarHBondContact N-O 3.29Å; C166-K168 PolarHBondContact O-N 3.38Å; K168-F170 HydrophobicContact CB-CE2 3.99Å; K168-F170 HydrophobicContact CB-CZ 4.08Å
169	S	93.2	Very high	90.7	Very high	35 Å²	35	79.6 Å²	79.6	25%	0.245	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.6	175	-54.1	0	0	0	0	110.9	K159 Y161 K162	K159-S169 VanDerWaalsContact CB-CB 3.49Å; K159-S169 WeakPolarHBondContact CD-O 3.32Å; Y161-S169 CarbonylContact O-C 3.55Å; Y161-S169 WeakPolarHBondContact O-CA 3.22Å; K162-S169 WeakPolarHBondContact CG-OG 3.36Å
170	F	92.2	Very high	90.6	Very high	42 Å²	42	77.8 Å²	77.8	18%	0.184	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.7	-171.7	-58.6	-92.3	0	0	0	112.1	K159 Y161 K168 Q172 H175 L176 H179	K159-F170 CarbonylContact C-O 3.5Å; K159-F170 WeakPolarHBondContact CA-O 3.5Å; Y161-F170 WeakPolarHBondContact CD2-O 3.39Å; Y161-F170 PolarHBondContact N-O 2.8Å; Y161-F170 PolarHBondContact O-N 2.9Å; K168-F170 HydrophobicContact CB-CE2 3.99Å; K168-F170 HydrophobicContact CB-CZ 4.08Å; F170-Q172 VanDerWaalsContact C-N 3.3Å; F170-Q172 PolarHBondContact O-N 3.23Å; F170-H175 HydrophobicContact CB-CB 4.21Å; F170-H175 HydrophobicContact CD1-CB 3.84Å; F170-H175 HydrophobicContact CG-CB 4.26Å; F170-L176 HydrophobicContact CB-CB 4.46Å; F170-L176 HydrophobicContact CD2-CB 4Å; F170-L176 HydrophobicContact CD2-CD1 3.63Å; F170-L176 HydrophobicContact CD2-CG 4.46Å; F170-L176 HydrophobicContact CE2-CD1 3.85Å; F170-L176 HydrophobicContact CG-CB 4.4Å; F170-H179 HydrophobicContact CE1-CB 3.96Å; F170-H179 HydrophobicContact CE2-CB 3.81Å; F170-H179 AromaticContact CE2-CD2 3.26Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.25Å; F170-H179 AromaticContact CE2-CG 3.58Å; F170-H179 AromaticContact CE2-NE2 4Å; F170-H179 HydrophobicContact CZ-CB 3.38Å; F170-H179 AromaticContact CZ-CD2 3.37Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.45Å; F170-H179 AromaticContact CZ-CG 3.19Å; F170-H179 AromaticContact CZ-ND1 3.78Å; F170-H179 AromaticContact CZ-NE2 3.98Å
171	F	89.1	Confident	90.8	Very high	54 Å²	54	76.6 Å²	76.6	24%	0.237	36%	0.362	C	S	.	.	S	Bend	trans	-73.3	-20.7	176.8	-62.3	-65	0	0	0	113.8	R153 D158 K159	R153-F171 HydrophobicContact CB-CD1 3.58Å; R153-F171 HydrophobicContact CB-CE1 4.13Å; R153-F171 HydrophobicContact CB-CG 4.49Å; R153-F171 PolarHBondContact NH1-O 3.46Å; R153-F171 WeakPolarHBondContact O-CE1 3.35Å; D158-F171 WeakPolarHBondContact O-CD1 3.44Å; D158-F171 VanDerWaalsContact O-CE1 3.26Å; D158-F171 WeakPolarHBondContact O-CE1 3.4Å; K159-F171 HydrophobicContact CD-CE1 4.36Å; K159-F171 HydrophobicContact CD-CZ 4.25Å; K159-F171 VanDerWaalsContact CE-CZ 3.42Å; K159-F171 HydrophobicContact CG-CD1 3.75Å; K159-F171 HydrophobicContact CG-CE1 3.46Å; K159-F171 VanDerWaalsContact CG-CE1 3.46Å; K159-F171 HydrophobicContact CG-CE2 4.34Å; K159-F171 HydrophobicContact CG-CG 4.3Å; K159-F171 HydrophobicContact CG-CZ 3.81Å
172	Q	88.4	Confident	90.7	Very high	56 Å²	56	78.5 Å²	78.5	26%	0.262	38%	0.376	S	S	.	.	S	Bend	trans	-139.4	141.5	-175.3	-66.1	-176.8	-52.6	0	0	110.6	V150 F170 S174 H175 L176	V150-Q172 HydrophobicContact CG1-CG 3.72Å; V150-Q172 HydrophobicContact CG2-CG 4.24Å; F170-Q172 VanDerWaalsContact C-N 3.3Å; F170-Q172 PolarHBondContact O-N 3.23Å; Q172-S174 VanDerWaalsContact C-N 3.3Å; Q172-S174 PolarHBondContact O-N 3.21Å; Q172-H175 PolarHBondContact O-N 3.32Å; Q172-H175 PolarHBondContact OE1-CE1 3.34Å; Q172-L176 PolarHBondContact O-N 3.12Å
173	Y	88.4	Confident	90.8	Very high	142 Å²	142	75.7 Å²	75.7	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-61.6	-36.5	179	-177.4	-110.4	0	0	0	113	Y161 H175 L176 K177	Y161-Y173 AromaticContact CD1-CD2 3.84Å; Y161-Y173 HydrophobicContact CD1-CD2 3.84Å; Y161-Y173 HydrophobicContact CD1-CG 4.36Å; Y161-Y173 VanDerWaalsContact CD2-N 3.32Å; Y161-Y173 HydrophobicContact CE1-CD2 4.12Å; Y161-Y173 HydrophobicContact CE1-CG 4.33Å; Y173-H175 VanDerWaalsContact C-N 3.29Å; Y173-H175 PolarHBondContact O-N 3.21Å; Y173-L176 HydrophobicContact CD2-CD2 4.34Å; Y173-L176 HydrophobicContact CE2-CD2 4.44Å; Y173-L176 WeakPolarHBondContact O-CB 3.25Å; Y173-L176 PolarHBondContact O-N 2.8Å; Y173-K177 PolarHBondContact O-N 3.11Å
174	S	87.2	Confident	90.6	Very high	64 Å²	64	80.1 Å²	80.1	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-58.8	-39.9	176.5	51.5	0	0	0	0	112.3	Q172 K177 I178	Q172-S174 VanDerWaalsContact C-N 3.3Å; Q172-S174 PolarHBondContact O-N 3.21Å; S174-K177 PolarHBondContact O-N 2.81Å; S174-I178 VanDerWaalsContact O-CG1 3.3Å; S174-I178 WeakPolarHBondContact O-CG1 3.43Å; S174-I178 PolarHBondContact O-N 2.77Å
175	H	90.9	Very high	90.6	Very high	90 Å²	90	75 Å²	75	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-38.4	176.9	-63.5	162.3	0	0	0	112	F170 Q172 Y173 I178 H179	F170-H175 HydrophobicContact CB-CB 4.21Å; F170-H175 HydrophobicContact CD1-CB 3.84Å; F170-H175 HydrophobicContact CG-CB 4.26Å; Q172-H175 PolarHBondContact O-N 3.32Å; Q172-H175 PolarHBondContact OE1-CE1 3.34Å; Y173-H175 VanDerWaalsContact C-N 3.29Å; Y173-H175 PolarHBondContact O-N 3.21Å; H175-I178 PolarHBondContact O-N 2.88Å; H175-H179 VanDerWaalsContact O-CB 3.26Å; H175-H179 WeakPolarHBondContact O-CB 3.44Å; H175-H179 PolarHBondContact O-N 2.95Å
176	L	91.6	Very high	90.8	Very high	13 Å²	13	72.7 Å²	72.7	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-47.1	171.4	179.1	68.3	0	0	0	110.9	C163 F170 Q172 Y173 I178 H179 H180	C163-L176 HydrophobicContact CB-CD1 3.83Å; F170-L176 HydrophobicContact CB-CB 4.46Å; F170-L176 HydrophobicContact CD2-CB 4Å; F170-L176 HydrophobicContact CD2-CD1 3.63Å; F170-L176 HydrophobicContact CD2-CG 4.46Å; F170-L176 HydrophobicContact CE2-CD1 3.85Å; F170-L176 HydrophobicContact CG-CB 4.4Å; Q172-L176 PolarHBondContact O-N 3.12Å; Y173-L176 HydrophobicContact CD2-CD2 4.34Å; Y173-L176 HydrophobicContact CE2-CD2 4.44Å; Y173-L176 WeakPolarHBondContact O-CB 3.25Å; Y173-L176 PolarHBondContact O-N 2.8Å; L176-I178 VanDerWaalsContact C-N 3.34Å; L176-I178 PolarHBondContact O-N 3.25Å; L176-H179 CarbonylContact O-C 3.27Å; L176-H179 WeakPolarHBondContact O-CA 3.45Å; L176-H179 WeakPolarHBondContact O-CB 3.46Å; L176-H179 PolarHBondContact O-N 3.46Å; L176-H180 WeakPolarHBondContact CD1-NE2 3.4Å; L176-H180 PolarHBondContact O-CD2 3.33Å; L176-H180 PolarHBondContact O-N 2.91Å
177	K	90.4	Very high	90.9	Very high	124 Å²	124	76.4 Å²	76.4	54%	0.539	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-41.3	178.9	-168.9	176.1	-174.9	175.7	0	112.4	Y173 S174 H179	Y173-K177 PolarHBondContact O-N 3.11Å; S174-K177 PolarHBondContact O-N 2.81Å; K177-H179 VanDerWaalsContact C-N 3.34Å
178	I	89.7	Confident	91	Very high	48 Å²	48	70.8 Å²	70.8	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-66.7	-39.2	174.5	-67.2	165.3	0	0	0	110.5	S174 H175 L176 R181 Q200	S174-I178 VanDerWaalsContact O-CG1 3.3Å; S174-I178 WeakPolarHBondContact O-CG1 3.43Å; S174-I178 PolarHBondContact O-N 2.77Å; H175-I178 PolarHBondContact O-N 2.88Å; L176-I178 VanDerWaalsContact C-N 3.34Å; L176-I178 PolarHBondContact O-N 3.25Å; I178-R181 WeakPolarHBondContact O-CB 3.41Å; I178-R181 PolarHBondContact O-N 3.5Å; I178-Q200 HydrophobicContact CG2-CG 3.78Å
179	H	93.5	Very high	91.1	Very high	14 Å²	14	68.4 Å²	68.4	7%	0.065	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-40.3	178.2	170	60.4	0	0	0	112.8	C166 F170 H175 L176 K177 R181 L182 H183	C166-H179 PolarHBondContact SG-NE2 3.07Å; F170-H179 HydrophobicContact CE1-CB 3.96Å; F170-H179 HydrophobicContact CE2-CB 3.81Å; F170-H179 AromaticContact CE2-CD2 3.26Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.25Å; F170-H179 AromaticContact CE2-CG 3.58Å; F170-H179 AromaticContact CE2-NE2 4Å; F170-H179 HydrophobicContact CZ-CB 3.38Å; F170-H179 AromaticContact CZ-CD2 3.37Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.45Å; F170-H179 AromaticContact CZ-CG 3.19Å; F170-H179 AromaticContact CZ-ND1 3.78Å; F170-H179 AromaticContact CZ-NE2 3.98Å; H175-H179 VanDerWaalsContact O-CB 3.26Å; H175-H179 WeakPolarHBondContact O-CB 3.44Å; H175-H179 PolarHBondContact O-N 2.95Å; L176-H179 CarbonylContact O-C 3.27Å; L176-H179 WeakPolarHBondContact O-CA 3.45Å; L176-H179 WeakPolarHBondContact O-CB 3.46Å; L176-H179 PolarHBondContact O-N 3.46Å; K177-H179 VanDerWaalsContact C-N 3.34Å; H179-R181 PolarHBondContact O-N 3.44Å; H179-R181 VanDerWaalsContact O-N 3.12Å; H179-L182 VanDerWaalsContact O-CB 3.25Å; H179-L182 WeakPolarHBondContact O-CB 3.26Å; H179-L182 WeakPolarHBondContact O-CG 3.38Å; H179-L182 PolarHBondContact O-N 3.18Å; H179-H183 AromaticContact CE1-CD2 3.95Å; H179-H183 AromaticContact CE1-NE2 3.52Å; H179-H183 AromaticContact NE2-CD2 3.81Å; H179-H183 AromaticContact NE2-NE2 3.36Å; H179-H183 PolarHBondContact NE2-NE2 3.33Å
180	H	90.8	Very high	91.2	Very high	61 Å²	61	72.8 Å²	72.8	28%	0.282	36%	0.362	S	S	.	.	H	α-helix	trans	-56.1	-29.4	176.1	-76.3	-162.7	0	0	0	112.5	L176 L182 H183 T184	L176-H180 WeakPolarHBondContact CD1-NE2 3.4Å; L176-H180 PolarHBondContact O-CD2 3.33Å; L176-H180 PolarHBondContact O-N 2.91Å; H180-L182 PolarHBondContact O-N 3.35Å; H180-H183 WeakPolarHBondContact O-CB 3.42Å; H180-H183 PolarHBondContact O-N 3.36Å; H180-T184 PolarHBondContact O-N 3.49Å; H180-T184 VanDerWaalsContact O-N 3.09Å; H180-T184 PolarHBondContact O-OG1 3.42Å
181	R	92	Very high	91.4	Very high	41 Å²	41	70.8 Å²	70.8	16%	0.155	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-21.5	174.2	-62.9	-179.4	177.8	152	3	114	I178 H179 H183 G185 D186 T199	I178-R181 WeakPolarHBondContact O-CB 3.41Å; I178-R181 PolarHBondContact O-N 3.5Å; H179-R181 PolarHBondContact O-N 3.44Å; H179-R181 VanDerWaalsContact O-N 3.12Å; R181-H183 VanDerWaalsContact C-N 3.3Å; R181-G185 CarbonylContact O-C 3.4Å; R181-G185 WeakPolarHBondContact O-CA 3.35Å; R181-G185 PolarHBondContact O-N 3.45Å; R181-G185 VanDerWaalsContact O-N 3.09Å; R181-D186 HydrophobicContact CB-CB 4.44Å; R181-D186 WeakPolarHBondContact CB-O 3.46Å; R181-D186 HydrophobicContact CG-CB 4.29Å; R181-D186 IonicContact NE-OD2 2.99Å; R181-D186 PolarHBondContact O-N 2.81Å; R181-T199 HydrophobicContact CB-CG2 4.23Å; R181-T199 WeakPolarHBondContact CD-O 3.4Å; R181-T199 PolarHBondContact NH1-O 3.15Å
182	L	89.5	Confident	91.6	Very high	117 Å²	117	75.4 Å²	75.4	61%	0.613	38%	0.38	S	S	*	.	H	α-helix	trans	-71.9	-30	173.8	-60.6	179.4	0	0	0	111.8	H179 H180	H179-L182 VanDerWaalsContact O-CB 3.25Å; H179-L182 WeakPolarHBondContact O-CB 3.26Å; H179-L182 WeakPolarHBondContact O-CG 3.38Å; H179-L182 PolarHBondContact O-N 3.18Å; H180-L182 PolarHBondContact O-N 3.35Å
183	H	92.3	Very high	91.8	Very high	70 Å²	70	78.7 Å²	78.7	32%	0.324	40%	0.396	S	S	.	.	H	α-helix	trans	-80.5	-50.5	178.4	-74.7	-80.4	0	0	0	111.7	E165 C166 H179 H180 R181 G185	E165-H183 WeakPolarHBondContact OE2-CB 3.44Å; E165-H183 IonicContact OE2-CG 3.88Å; E165-H183 VanDerWaalsContact OE2-CG 3.28Å; E165-H183 IonicContact OE2-ND1 3.73Å; E165-H183 PolarHBondContact OE2-ND1 3.37Å; C166-H183 PolarHBondContact SG-NE2 2.85Å; H179-H183 AromaticContact CE1-CD2 3.95Å; H179-H183 AromaticContact CE1-NE2 3.52Å; H179-H183 AromaticContact NE2-CD2 3.81Å; H179-H183 AromaticContact NE2-NE2 3.36Å; H179-H183 PolarHBondContact NE2-NE2 3.33Å; H180-H183 WeakPolarHBondContact O-CB 3.42Å; H180-H183 PolarHBondContact O-N 3.36Å; R181-H183 VanDerWaalsContact C-N 3.3Å; H183-G185 PolarHBondContact O-N 3.21Å
184	T	90.5	Very high	92.1	Very high	94 Å²	94	74.5 Å²	74.5	58%	0.577	39%	0.386	S	S	*	.	H	α-helix	trans	-72.5	-14.6	179.9	63	0	0	0	0	113.1	H180 D186	H180-T184 PolarHBondContact O-N 3.49Å; H180-T184 VanDerWaalsContact O-N 3.09Å; H180-T184 PolarHBondContact O-OG1 3.42Å; T184-D186 PolarHBondContact O-N 3.26Å; T184-D186 VanDerWaalsContact OG1-CB 3.24Å; T184-D186 WeakPolarHBondContact OG1-CB 3.35Å; T184-D186 PolarHBondContact OG1-N 2.97Å
185	G	90.2	Very high	92.3	Very high	46 Å²	46	73.1 Å²	73.1	47%	0.474	38%	0.382	S	S	.	.			trans	69.7	7.5	-171.4	0	0	0	0	0	113.8	R181 H183 K187	R181-G185 CarbonylContact O-C 3.4Å; R181-G185 WeakPolarHBondContact O-CA 3.35Å; R181-G185 PolarHBondContact O-N 3.45Å; R181-G185 VanDerWaalsContact O-N 3.09Å; H183-G185 PolarHBondContact O-N 3.21Å; G185-K187 PolarHBondContact O-N 3.04Å
186	D	92.4	Very high	92.6	Very high	72 Å²	72	74.7 Å²	74.7	39%	0.385	39%	0.387	S	S	.	.			trans	-61.6	122.8	-177.5	176.9	33.3	0	0	0	111.6	R181 T184 P188	R181-D186 HydrophobicContact CB-CB 4.44Å; R181-D186 WeakPolarHBondContact CB-O 3.46Å; R181-D186 HydrophobicContact CG-CB 4.29Å; R181-D186 IonicContact NE-OD2 2.99Å; R181-D186 PolarHBondContact O-N 2.81Å; T184-D186 PolarHBondContact O-N 3.26Å; T184-D186 VanDerWaalsContact OG1-CB 3.24Å; T184-D186 WeakPolarHBondContact OG1-CB 3.35Å; T184-D186 PolarHBondContact OG1-N 2.97Å; D186-P188 WeakPolarHBondContact OD1-CD 3.47Å; D186-P188 WeakPolarHBondContact OD1-CG 3.36Å; D186-P188 VanDerWaalsContact OD2-CG 3.3Å; D186-P188 WeakPolarHBondContact OD2-CG 3.47Å
187	K	94.1	Very high	92.8	Very high	115 Å²	115	76.1 Å²	76.1	50%	0.5	40%	0.399	S	S	.	.			trans	-129.9	76.6	-180	-69.9	168.7	-177.8	177.5	0	109.6	G185 Y189 S197 F198 T199	G185-K187 PolarHBondContact O-N 3.04Å; K187-Y189 PolarHBondContact O-N 3.18Å; K187-Y189 VanDerWaalsContact O-N 3.13Å; K187-S197 VanDerWaalsContact CB-CB 3.5Å; K187-S197 WeakPolarHBondContact O-CB 3.27Å; K187-F198 CarbonylContact C-O 3.46Å; K187-F198 VanDerWaalsContact C-O 3.31Å; K187-F198 VanDerWaalsContact CA-O 3.31Å; K187-F198 WeakPolarHBondContact CA-O 3.4Å; K187-T199 HydrophobicContact CG-CG2 3.85Å
188	P	92.2	Very high	93	Very high	65 Å²	65	72.2 Å²	72.2	42%	0.422	38%	0.382	S	S	.	.			trans	-63.8	-22.7	-172.8	-23	33.6	0	0	0	114	D186 K190	D186-P188 WeakPolarHBondContact OD1-CD 3.47Å; D186-P188 WeakPolarHBondContact OD1-CG 3.36Å; D186-P188 VanDerWaalsContact OD2-CG 3.3Å; D186-P188 WeakPolarHBondContact OD2-CG 3.47Å; P188-K190 PolarHBondContact O-N 2.87Å
189	Y	94.3	Very high	93.1	Very high	74 Å²	74	71.1 Å²	71.1	29%	0.29	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.9	-171	-56.3	-72.3	0	0	0	110.3	K187 S197 F198 Y201	K187-Y189 PolarHBondContact O-N 3.18Å; K187-Y189 VanDerWaalsContact O-N 3.13Å; Y189-S197 CarbonylContact O-C 3.55Å; Y189-S197 WeakPolarHBondContact O-CA 3.44Å; Y189-F198 PolarHBondContact N-O 3.11Å; Y189-F198 PolarHBondContact O-N 3.36Å; Y189-Y201 AromaticContact CD1-CD2 3.7Å; Y189-Y201 HydrophobicContact CD1-CD2 3.7Å; Y189-Y201 HydrophobicContact CD1-CG 4.32Å; Y189-Y201 VanDerWaalsContact CD2-N 3.33Å; Y189-Y201 AromaticContact CE1-CD2 3.91Å; Y189-Y201 HydrophobicContact CE1-CD2 3.91Å; Y189-Y201 HydrophobicContact CE1-CG 4.25Å; Y189-Y201 HydrophobicContact CG-CD2 4.49Å
190	K	95.8	Very high	93	Very high	126 Å²	126	73.7 Å²	73.7	55%	0.548	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.7	179.3	-170.5	174.8	177.9	-175.9	0	111.7	P188	P188-K190 PolarHBondContact O-N 2.87Å
191	C	95.4	Very high	93.1	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.399	C	S	.	.			trans	-81.3	122.4	167.7	177.3	0	0	0	0	109.5	E193 G195 K196 F198 L204 H211	C191-E193 VanDerWaalsContact C-N 3.29Å; C191-E193 PolarHBondContact O-N 3.37Å; C191-G195 WeakPolarHBondContact O-CA 3.22Å; C191-G195 PolarHBondContact O-N 3.31Å; C191-K196 VanDerWaalsContact CB-O 3.3Å; C191-K196 WeakPolarHBondContact CB-O 3.41Å; C191-K196 PolarHBondContact N-O 3.06Å; C191-F198 HydrophobicContact CB-CE2 4.44Å; C191-L204 HydrophobicContact CB-CD1 3.69Å; C191-H211 PolarHBondContact SG-NE2 3.04Å
192	N	93.6	Very high	93	Very high	152 Å²	152	77.7 Å²	77.7	81%	0.813	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-28.9	-178.2	-65.1	-8.6	0	0	0	112.9
193	E	92.6	Very high	93.2	Very high	125 Å²	125	74.7 Å²	74.7	58%	0.584	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-35.5	-173.7	-65.7	170.8	-148.2	0	0	113.7	C191 H211	C191-E193 VanDerWaalsContact C-N 3.29Å; C191-E193 PolarHBondContact O-N 3.37Å; E193-H211 WeakPolarHBondContact OE2-CB 3.35Å; E193-H211 IonicContact OE2-CD2 3.03Å; E193-H211 PolarHBondContact OE2-CD2 3.34Å; E193-H211 IonicContact OE2-CG 3.92Å; E193-H211 IonicContact OE2-ND1 3.73Å
194	C	94.4	Very high	93.3	Very high	54 Å²	54	71.9 Å²	71.9	37%	0.365	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	4.3	-179.4	74.3	0	0	0	0	114.6	K196 H207	C194-K196 PolarHBondContact O-N 2.87Å; C194-H207 PolarHBondContact SG-NE2 3.22Å
195	G	92.9	Very high	93.5	Very high	34 Å²	34	72 Å²	72	35%	0.351	38%	0.377	S	S	.	.			trans	70.1	-4.6	179.7	0	0	0	0	0	115.7	C191 S197	C191-G195 WeakPolarHBondContact O-CA 3.22Å; C191-G195 PolarHBondContact O-N 3.31Å; G195-S197 PolarHBondContact O-N 3.36Å
196	K	95.6	Very high	93.6	Very high	123 Å²	123	71.2 Å²	71.2	54%	0.535	36%	0.363	S	S	.	.			trans	-65.9	132.3	-179.5	-72.4	-179.3	-177.6	173.4	0	111.4	C191 C194 F198	C191-K196 VanDerWaalsContact CB-O 3.3Å; C191-K196 WeakPolarHBondContact CB-O 3.41Å; C191-K196 PolarHBondContact N-O 3.06Å; C194-K196 PolarHBondContact O-N 2.87Å; K196-F198 HydrophobicContact CB-CE2 4.1Å; K196-F198 HydrophobicContact CB-CZ 4.2Å; K196-F198 WeakPolarHBondContact O-CE2 3.5Å
197	S	96.1	Very high	93.7	Very high	44 Å²	44	68.8 Å²	68.8	31%	0.308	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	149.3	179.5	-52.5	0	0	0	0	113.1	K187 Y189 G195	K187-S197 VanDerWaalsContact CB-CB 3.5Å; K187-S197 WeakPolarHBondContact O-CB 3.27Å; Y189-S197 CarbonylContact O-C 3.55Å; Y189-S197 WeakPolarHBondContact O-CA 3.44Å; G195-S197 PolarHBondContact O-N 3.36Å
198	F	94.9	Very high	93.7	Very high	42 Å²	42	65.7 Å²	65.7	18%	0.184	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.8	-175.8	-59.3	-88.8	0	0	0	111.4	K187 Y189 C191 K196 Q200 D203 L204 H207	K187-F198 CarbonylContact C-O 3.46Å; K187-F198 VanDerWaalsContact C-O 3.31Å; K187-F198 VanDerWaalsContact CA-O 3.31Å; K187-F198 WeakPolarHBondContact CA-O 3.4Å; Y189-F198 PolarHBondContact N-O 3.11Å; Y189-F198 PolarHBondContact O-N 3.36Å; C191-F198 HydrophobicContact CB-CE2 4.44Å; K196-F198 HydrophobicContact CB-CE2 4.1Å; K196-F198 HydrophobicContact CB-CZ 4.2Å; K196-F198 WeakPolarHBondContact O-CE2 3.5Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-D203 HydrophobicContact CB-CB 4.2Å; F198-D203 HydrophobicContact CD1-CB 3.84Å; F198-D203 HydrophobicContact CG-CB 4.25Å; F198-L204 HydrophobicContact CB-CB 4.35Å; F198-L204 HydrophobicContact CD2-CB 3.85Å; F198-L204 HydrophobicContact CD2-CD1 3.85Å; F198-L204 HydrophobicContact CD2-CG 4.47Å; F198-L204 HydrophobicContact CE2-CD1 4.02Å; F198-L204 HydrophobicContact CG-CB 4.27Å; F198-H207 HydrophobicContact CE1-CB 3.91Å; F198-H207 HydrophobicContact CE2-CB 3.77Å; F198-H207 AromaticContact CE2-CD2 3.38Å; F198-H207 WeakPolarHBondContact CE2-CD2 3.33Å; F198-H207 AromaticContact CE2-CG 3.52Å; F198-H207 HydrophobicContact CZ-CB 3.36Å; F198-H207 AromaticContact CZ-CD2 3.5Å; F198-H207 VanDerWaalsContact CZ-CD2 3.5Å; F198-H207 WeakPolarHBondContact CZ-CD2 3.19Å; F198-H207 AromaticContact CZ-CE1 3.98Å; F198-H207 AromaticContact CZ-CG 3.14Å; F198-H207 AromaticContact CZ-ND1 3.51Å; F198-H207 AromaticContact CZ-NE2 3.99Å
199	T	92.6	Very high	93.8	Very high	25 Å²	25	65.2 Å²	65.2	15%	0.153	33%	0.327	C	S	.	.	S	Bend	trans	-77.5	-20.5	177.4	57.8	0	0	0	0	112.4	R181 K187	R181-T199 HydrophobicContact CB-CG2 4.23Å; R181-T199 WeakPolarHBondContact CD-O 3.4Å; R181-T199 PolarHBondContact NH1-O 3.15Å; K187-T199 HydrophobicContact CG-CG2 3.85Å
200	Q	91.9	Very high	93.8	Very high	68 Å²	68	66.4 Å²	66.4	32%	0.318	34%	0.337	S	S	.	.	S	Bend	trans	-132.6	145.5	-179.6	-63.5	-176.4	65.1	0	0	111.7	I178 F198 S202 D203 L204	I178-Q200 HydrophobicContact CG2-CG 3.78Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 2.85Å; Q200-D203 PolarHBondContact O-N 3.19Å; Q200-L204 PolarHBondContact O-N 2.92Å
201	Y	91.8	Very high	93.7	Very high	121 Å²	121	63.6 Å²	63.6	48%	0.475	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-37	-179.5	-176.6	-106.3	0	0	0	113	Y189 D203 L204 K205	Y189-Y201 AromaticContact CD1-CD2 3.7Å; Y189-Y201 HydrophobicContact CD1-CD2 3.7Å; Y189-Y201 HydrophobicContact CD1-CG 4.32Å; Y189-Y201 VanDerWaalsContact CD2-N 3.33Å; Y189-Y201 AromaticContact CE1-CD2 3.91Å; Y189-Y201 HydrophobicContact CE1-CD2 3.91Å; Y189-Y201 HydrophobicContact CE1-CG 4.25Å; Y189-Y201 HydrophobicContact CG-CD2 4.49Å; Y201-D203 VanDerWaalsContact C-N 3.27Å; Y201-D203 PolarHBondContact O-N 3.48Å; Y201-L204 HydrophobicContact CD2-CD2 4.49Å; Y201-L204 WeakPolarHBondContact O-CB 3.46Å; Y201-L204 PolarHBondContact O-N 3.32Å; Y201-K205 HydrophobicContact CD1-CG 4.1Å; Y201-K205 HydrophobicContact CE1-CD 4.32Å; Y201-K205 HydrophobicContact CE1-CG 3.65Å; Y201-K205 PolarHBondContact O-N 3.04Å; Y201-K205 WeakPolarHBondContact OH-CE 3.31Å
202	S	90.4	Very high	93.5	Very high	65 Å²	65	68.2 Å²	68.2	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-37.5	176.7	50.3	0	0	0	0	112.1	Q200 K205 V206	Q200-S202 PolarHBondContact O-N 2.85Å; S202-K205 PolarHBondContact O-N 3.25Å; S202-V206 WeakPolarHBondContact O-CG2 3.45Å; S202-V206 PolarHBondContact O-N 3.15Å
203	D	93.9	Very high	93.4	Very high	53 Å²	53	63.2 Å²	63.2	28%	0.283	34%	0.338	S	S	.	.	H	α-helix	trans	-68.9	-40	177.4	-68	-39.2	0	0	0	111.4	F198 Q200 Y201 V206 H207	F198-D203 HydrophobicContact CB-CB 4.2Å; F198-D203 HydrophobicContact CD1-CB 3.84Å; F198-D203 HydrophobicContact CG-CB 4.25Å; Q200-D203 PolarHBondContact O-N 3.19Å; Y201-D203 VanDerWaalsContact C-N 3.27Å; Y201-D203 PolarHBondContact O-N 3.48Å; D203-V206 PolarHBondContact O-N 3.43Å; D203-H207 VanDerWaalsContact O-CB 3.22Å; D203-H207 WeakPolarHBondContact O-CB 3.34Å; D203-H207 PolarHBondContact O-N 3.45Å
204	L	94.2	Very high	93.4	Very high	11 Å²	11	60.7 Å²	60.7	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-48.2	171.1	172	62.4	0	0	0	111.2	C191 F198 Q200 Y201 V206 H207 Q208	C191-L204 HydrophobicContact CB-CD1 3.69Å; F198-L204 HydrophobicContact CB-CB 4.35Å; F198-L204 HydrophobicContact CD2-CB 3.85Å; F198-L204 HydrophobicContact CD2-CD1 3.85Å; F198-L204 HydrophobicContact CD2-CG 4.47Å; F198-L204 HydrophobicContact CE2-CD1 4.02Å; F198-L204 HydrophobicContact CG-CB 4.27Å; Q200-L204 PolarHBondContact O-N 2.92Å; Y201-L204 HydrophobicContact CD2-CD2 4.49Å; Y201-L204 WeakPolarHBondContact O-CB 3.46Å; Y201-L204 PolarHBondContact O-N 3.32Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.16Å; L204-H207 CarbonylContact O-C 3.56Å; L204-H207 WeakPolarHBondContact O-CA 3.4Å; L204-H207 WeakPolarHBondContact O-CB 3.05Å; L204-H207 PolarHBondContact O-N 3.26Å; L204-H207 VanDerWaalsContact O-N 3.08Å; L204-Q208 HydrophobicContact CD1-CG 4.12Å; L204-Q208 HydrophobicContact CG-CG 4.49Å; L204-Q208 WeakPolarHBondContact O-CG 3.43Å; L204-Q208 PolarHBondContact O-N 2.91Å
205	K	93.3	Very high	93.4	Very high	97 Å²	97	63.7 Å²	63.7	42%	0.422	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-42.4	179.3	-82.1	-73.4	174.5	-170.1	0	112.6	Y201 S202 H207	Y201-K205 HydrophobicContact CD1-CG 4.1Å; Y201-K205 HydrophobicContact CE1-CD 4.32Å; Y201-K205 HydrophobicContact CE1-CG 3.65Å; Y201-K205 PolarHBondContact O-N 3.04Å; Y201-K205 WeakPolarHBondContact OH-CE 3.31Å; S202-K205 PolarHBondContact O-N 3.25Å; K205-H207 VanDerWaalsContact C-N 3.32Å
206	V	93.3	Very high	93.4	Very high	30 Å²	30	65.1 Å²	65.1	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-70.9	-33	176.2	178.4	0	0	0	0	111.5	S202 D203 L204 R209 R228	S202-V206 WeakPolarHBondContact O-CG2 3.45Å; S202-V206 PolarHBondContact O-N 3.15Å; D203-V206 PolarHBondContact O-N 3.43Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.16Å; V206-R209 WeakPolarHBondContact O-CB 3.45Å; V206-R209 PolarHBondContact O-N 3.46Å; V206-R228 HydrophobicContact CG1-CG 3.67Å; V206-R228 VanDerWaalsContact CG1-NE 3.27Å
207	H	95.5	Very high	93.4	Very high	20 Å²	20	63 Å²	63	9%	0.093	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-42.2	174.6	168.1	75.3	0	0	0	112.3	C194 F198 D203 L204 K205 R209 I210 H211	C194-H207 PolarHBondContact SG-NE2 3.22Å; F198-H207 HydrophobicContact CE1-CB 3.91Å; F198-H207 HydrophobicContact CE2-CB 3.77Å; F198-H207 AromaticContact CE2-CD2 3.38Å; F198-H207 WeakPolarHBondContact CE2-CD2 3.33Å; F198-H207 AromaticContact CE2-CG 3.52Å; F198-H207 HydrophobicContact CZ-CB 3.36Å; F198-H207 AromaticContact CZ-CD2 3.5Å; F198-H207 VanDerWaalsContact CZ-CD2 3.5Å; F198-H207 WeakPolarHBondContact CZ-CD2 3.19Å; F198-H207 AromaticContact CZ-CE1 3.98Å; F198-H207 AromaticContact CZ-CG 3.14Å; F198-H207 AromaticContact CZ-ND1 3.51Å; F198-H207 AromaticContact CZ-NE2 3.99Å; D203-H207 VanDerWaalsContact O-CB 3.22Å; D203-H207 WeakPolarHBondContact O-CB 3.34Å; D203-H207 PolarHBondContact O-N 3.45Å; L204-H207 CarbonylContact O-C 3.56Å; L204-H207 WeakPolarHBondContact O-CA 3.4Å; L204-H207 WeakPolarHBondContact O-CB 3.05Å; L204-H207 PolarHBondContact O-N 3.26Å; L204-H207 VanDerWaalsContact O-N 3.08Å; K205-H207 VanDerWaalsContact C-N 3.32Å; H207-R209 PolarHBondContact O-N 3.24Å; H207-I210 WeakPolarHBondContact CE1-CD1 3.45Å; H207-I210 WeakPolarHBondContact ND1-CD1 3.42Å; H207-I210 WeakPolarHBondContact O-CG1 3.31Å; H207-I210 WeakPolarHBondContact O-CG2 3.39Å; H207-I210 PolarHBondContact O-N 2.94Å; H207-H211 AromaticContact CE1-NE2 3.97Å; H207-H211 AromaticContact NE2-NE2 3.42Å; H207-H211 PolarHBondContact NE2-NE2 2.88Å
208	Q	94	Very high	93.3	Very high	51 Å²	51	67 Å²	67	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-54.8	-27.8	178.6	-75	177.3	-41.4	0	0	112.9	L204 I210 H211 T212	L204-Q208 HydrophobicContact CD1-CG 4.12Å; L204-Q208 HydrophobicContact CG-CG 4.49Å; L204-Q208 WeakPolarHBondContact O-CG 3.43Å; L204-Q208 PolarHBondContact O-N 2.91Å; Q208-I210 PolarHBondContact O-N 3.34Å; Q208-I210 VanDerWaalsContact O-N 3.15Å; Q208-H211 PolarHBondContact O-N 3.2Å; Q208-H211 VanDerWaalsContact O-N 3.07Å; Q208-T212 PolarHBondContact O-N 3.19Å
209	R	94.5	Very high	93.3	Very high	55 Å²	55	65.1 Å²	65.1	21%	0.208	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-19.8	174.3	-62.9	-176.8	176	150.4	5.7	114.6	V206 H207 H211 G213 D214 T227	V206-R209 WeakPolarHBondContact O-CB 3.45Å; V206-R209 PolarHBondContact O-N 3.46Å; H207-R209 PolarHBondContact O-N 3.24Å; R209-H211 VanDerWaalsContact C-N 3.26Å; R209-G213 CarbonylContact O-C 3.56Å; R209-G213 WeakPolarHBondContact O-CA 3.48Å; R209-G213 PolarHBondContact O-N 3.14Å; R209-D214 HydrophobicContact CB-CB 4.36Å; R209-D214 WeakPolarHBondContact CB-O 3.24Å; R209-D214 HydrophobicContact CG-CB 4.22Å; R209-D214 IonicContact NE-OD2 3.09Å; R209-D214 PolarHBondContact O-N 3.07Å; R209-T227 HydrophobicContact CB-CG2 4.18Å; R209-T227 PolarHBondContact NH1-O 2.79Å
210	I	93.2	Very high	93.2	Very high	98 Å²	98	71.3 Å²	71.3	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-70	-28.7	175.9	78.2	-179.9	0	0	0	111.9	H207 Q208	H207-I210 WeakPolarHBondContact CE1-CD1 3.45Å; H207-I210 WeakPolarHBondContact ND1-CD1 3.42Å; H207-I210 WeakPolarHBondContact O-CG1 3.31Å; H207-I210 WeakPolarHBondContact O-CG2 3.39Å; H207-I210 PolarHBondContact O-N 2.94Å; Q208-I210 PolarHBondContact O-N 3.34Å; Q208-I210 VanDerWaalsContact O-N 3.15Å
211	H	94	Very high	93.1	Very high	68 Å²	68	73.8 Å²	73.8	32%	0.315	38%	0.375	S	S	.	.	H	α-helix	trans	-89.4	-41.4	-176.9	-52.8	-56.1	0	0	0	111.4	C191 E193 H207 Q208 R209 G213	C191-H211 PolarHBondContact SG-NE2 3.04Å; E193-H211 WeakPolarHBondContact OE2-CB 3.35Å; E193-H211 IonicContact OE2-CD2 3.03Å; E193-H211 PolarHBondContact OE2-CD2 3.34Å; E193-H211 IonicContact OE2-CG 3.92Å; E193-H211 IonicContact OE2-ND1 3.73Å; H207-H211 AromaticContact CE1-NE2 3.97Å; H207-H211 AromaticContact NE2-NE2 3.42Å; H207-H211 PolarHBondContact NE2-NE2 2.88Å; Q208-H211 PolarHBondContact O-N 3.2Å; Q208-H211 VanDerWaalsContact O-N 3.07Å; R209-H211 VanDerWaalsContact C-N 3.26Å; H211-G213 PolarHBondContact O-N 3.48Å
212	T	91.3	Very high	93.1	Very high	97 Å²	97	69.8 Å²	69.8	60%	0.595	36%	0.364	S	S	*	.	H	α-helix	trans	-73.1	-15.1	173.9	63.8	0	0	0	0	112.8	Q208 D214	Q208-T212 PolarHBondContact O-N 3.19Å; T212-D214 PolarHBondContact O-N 3.41Å; T212-D214 VanDerWaalsContact OG1-CB 3.22Å; T212-D214 WeakPolarHBondContact OG1-CB 3.44Å; T212-D214 PolarHBondContact OG1-N 2.92Å
213	G	91.1	Very high	93.1	Very high	46 Å²	46	75.3 Å²	75.3	47%	0.474	38%	0.383	S	S	.	.			trans	69.7	6.5	-171.5	0	0	0	0	0	113.9	R209 H211 K215	R209-G213 CarbonylContact O-C 3.56Å; R209-G213 WeakPolarHBondContact O-CA 3.48Å; R209-G213 PolarHBondContact O-N 3.14Å; H211-G213 PolarHBondContact O-N 3.48Å; G213-K215 PolarHBondContact O-N 3.03Å
214	D	93.3	Very high	93.1	Very high	73 Å²	73	78.8 Å²	78.8	39%	0.39	40%	0.396	S	S	.	.			trans	-62.3	124.2	-175.3	176.5	34.6	0	0	0	111.9	R209 T212 P216	R209-D214 HydrophobicContact CB-CB 4.36Å; R209-D214 WeakPolarHBondContact CB-O 3.24Å; R209-D214 HydrophobicContact CG-CB 4.22Å; R209-D214 IonicContact NE-OD2 3.09Å; R209-D214 PolarHBondContact O-N 3.07Å; T212-D214 PolarHBondContact O-N 3.41Å; T212-D214 VanDerWaalsContact OG1-CB 3.22Å; T212-D214 WeakPolarHBondContact OG1-CB 3.44Å; T212-D214 PolarHBondContact OG1-N 2.92Å; D214-P216 WeakPolarHBondContact OD1-CD 3.31Å; D214-P216 WeakPolarHBondContact OD1-CG 3.03Å; D214-P216 VanDerWaalsContact OD2-CG 3.26Å; D214-P216 WeakPolarHBondContact OD2-CG 3.49Å
215	K	94.2	Very high	93.2	Very high	117 Å²	117	80.1 Å²	80.1	51%	0.509	41%	0.406	S	S	.	.			trans	-131.9	77	179.5	-68.9	166	-178.7	178	0	109.2	G213 Y217 S225 F226 T227	G213-K215 PolarHBondContact O-N 3.03Å; K215-Y217 PolarHBondContact O-N 3.4Å; K215-Y217 VanDerWaalsContact O-N 3.08Å; K215-S225 VanDerWaalsContact CB-CB 3.45Å; K215-S225 WeakPolarHBondContact CD-O 3.39Å; K215-S225 WeakPolarHBondContact O-CB 3.46Å; K215-F226 CarbonylContact C-O 3.57Å; K215-F226 WeakPolarHBondContact CA-O 3.28Å; K215-T227 HydrophobicContact CG-CG2 4.02Å
216	P	92.8	Very high	93.2	Very high	63 Å²	63	77.5 Å²	77.5	41%	0.409	39%	0.394	S	S	.	.			trans	-63.4	-21.4	-172.1	-23.8	34	0	0	0	114.2	D214 K218	D214-P216 WeakPolarHBondContact OD1-CD 3.31Å; D214-P216 WeakPolarHBondContact OD1-CG 3.03Å; D214-P216 VanDerWaalsContact OD2-CG 3.26Å; D214-P216 WeakPolarHBondContact OD2-CG 3.49Å; P216-K218 PolarHBondContact O-N 3.35Å
217	Y	94.6	Very high	93.2	Very high	79 Å²	79	77.7 Å²	77.7	31%	0.31	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	90.3	-173	-55.4	-72.4	0	0	0	110	K215 S225 F226 Y229	K215-Y217 PolarHBondContact O-N 3.4Å; K215-Y217 VanDerWaalsContact O-N 3.08Å; Y217-S225 CarbonylContact O-C 3.51Å; Y217-S225 WeakPolarHBondContact O-CA 3.36Å; Y217-F226 WeakPolarHBondContact CB-O 3.43Å; Y217-F226 WeakPolarHBondContact CD2-O 3.4Å; Y217-F226 PolarHBondContact N-O 3.48Å; Y217-F226 PolarHBondContact O-N 3.14Å; Y217-Y229 AromaticContact CD1-CD2 3.83Å; Y217-Y229 HydrophobicContact CD1-CD2 3.83Å; Y217-Y229 HydrophobicContact CD1-CG 4.35Å; Y217-Y229 VanDerWaalsContact CD2-N 3.28Å; Y217-Y229 HydrophobicContact CE1-CD2 4.08Å; Y217-Y229 HydrophobicContact CE1-CG 4.31Å; Y217-Y229 VanDerWaalsContact CE2-N 3.35Å
218	K	94.2	Very high	93.1	Very high	129 Å²	129	81.4 Å²	81.4	56%	0.561	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	141	177.2	-171.5	175.5	177.9	-175	0	111.1	P216	P216-K218 PolarHBondContact O-N 3.35Å
219	C	94.3	Very high	93.1	Very high	2 Å²	2	85.5 Å²	85.5	1%	0.014	42%	0.423	C	S	.	.			trans	-78.7	136.8	167.3	-173.4	0	0	0	0	109.5	C222 K224 L232	C219-C222 CarbonylContact C-O 3.49Å; C219-C222 WeakPolarHBondContact CB-O 3.42Å; C219-K224 VanDerWaalsContact CB-O 3.31Å; C219-K224 WeakPolarHBondContact CB-O 3.28Å; C219-K224 PolarHBondContact N-O 3.23Å; C219-L232 HydrophobicContact CB-CD1 3.84Å
220	N	91.1	Very high	92.9	Very high	154 Å²	154	85.9 Å²	85.9	82%	0.824	43%	0.434	S	S	*	.	S	Bend	trans	-82.6	-21.8	178.9	-66.7	-9	0	0	0	112.1
221	E	90.2	Very high	93	Very high	120 Å²	120	85 Å²	85	56%	0.561	43%	0.428	S	S	*	.	S	Bend	trans	-93.8	-14.4	-177.1	-60.6	-177.6	-139	0	0	113.2	H239	E221-H239 WeakPolarHBondContact OE2-CB 3.48Å; E221-H239 IonicContact OE2-CG 3.17Å; E221-H239 VanDerWaalsContact OE2-CG 3.29Å; E221-H239 IonicContact OE2-ND1 3.73Å; E221-H239 PolarHBondContact OE2-ND1 3.16Å
222	C	92.5	Very high	93	Very high	37 Å²	37	82.3 Å²	82.3	25%	0.25	42%	0.416	C	S	.	.	S	Bend	trans	-150.3	165.5	169.4	70.9	0	0	0	0	111.4	C219 K224 H235 H239	C219-C222 CarbonylContact C-O 3.49Å; C219-C222 WeakPolarHBondContact CB-O 3.42Å; C222-K224 PolarHBondContact O-N 2.72Å; C222-H235 PolarHBondContact SG-NE2 3.31Å; C222-H239 PolarHBondContact SG-NE2 3.49Å; C222-H239 VanDerWaalsContact SG-NE2 3.43Å
223	E	89.8	Confident	93.1	Very high	182 Å²	182	83.5 Å²	83.5	85%	0.85	41%	0.413	S	S	*	.	S	Bend	trans	-72.3	10.5	-176.6	-59.3	-179.8	164.8	0	0	114.7
224	K	94.1	Very high	93.1	Very high	125 Å²	125	83.8 Å²	83.8	54%	0.543	40%	0.403	S	S	.	.			trans	-80.1	130.3	-179.6	-68.5	-177.5	-179.9	173.2	0	111.2	C219 C222 F226	C219-K224 VanDerWaalsContact CB-O 3.31Å; C219-K224 WeakPolarHBondContact CB-O 3.28Å; C219-K224 PolarHBondContact N-O 3.23Å; C222-K224 PolarHBondContact O-N 2.72Å; K224-F226 HydrophobicContact CB-CE2 3.98Å; K224-F226 HydrophobicContact CB-CZ 4.07Å
225	S	95.2	Very high	93.2	Very high	39 Å²	39	81 Å²	81	27%	0.273	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.7	172	-53	0	0	0	0	111.7	K215 Y217	K215-S225 VanDerWaalsContact CB-CB 3.45Å; K215-S225 WeakPolarHBondContact CD-O 3.39Å; K215-S225 WeakPolarHBondContact O-CB 3.46Å; Y217-S225 CarbonylContact O-C 3.51Å; Y217-S225 WeakPolarHBondContact O-CA 3.36Å
226	F	94.7	Very high	93.1	Very high	42 Å²	42	78.4 Å²	78.4	18%	0.184	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.1	-174.8	-58.4	-91.6	0	0	0	111.5	K215 Y217 K224 R228 H231 L232 H235	K215-F226 CarbonylContact C-O 3.57Å; K215-F226 WeakPolarHBondContact CA-O 3.28Å; Y217-F226 WeakPolarHBondContact CB-O 3.43Å; Y217-F226 WeakPolarHBondContact CD2-O 3.4Å; Y217-F226 PolarHBondContact N-O 3.48Å; Y217-F226 PolarHBondContact O-N 3.14Å; K224-F226 HydrophobicContact CB-CE2 3.98Å; K224-F226 HydrophobicContact CB-CZ 4.07Å; F226-R228 VanDerWaalsContact C-N 3.3Å; F226-H231 HydrophobicContact CB-CB 4.23Å; F226-H231 HydrophobicContact CD1-CB 3.84Å; F226-H231 HydrophobicContact CG-CB 4.25Å; F226-L232 HydrophobicContact CB-CB 4.46Å; F226-L232 HydrophobicContact CD2-CB 3.97Å; F226-L232 HydrophobicContact CD2-CD1 3.62Å; F226-L232 HydrophobicContact CD2-CG 4.45Å; F226-L232 HydrophobicContact CE2-CD1 3.85Å; F226-L232 HydrophobicContact CG-CB 4.39Å; F226-H235 HydrophobicContact CE1-CB 3.97Å; F226-H235 HydrophobicContact CE2-CB 3.79Å; F226-H235 AromaticContact CE2-CD2 3.28Å; F226-H235 WeakPolarHBondContact CE2-CD2 3.42Å; F226-H235 AromaticContact CE2-CG 3.55Å; F226-H235 HydrophobicContact CZ-CB 3.37Å; F226-H235 AromaticContact CZ-CD2 3.42Å; F226-H235 VanDerWaalsContact CZ-CD2 3.42Å; F226-H235 WeakPolarHBondContact CZ-CD2 3.3Å; F226-H235 AromaticContact CZ-CG 3.18Å; F226-H235 AromaticContact CZ-ND1 3.73Å
227	T	93.3	Very high	93.1	Very high	34 Å²	34	77.4 Å²	77.4	21%	0.209	37%	0.365	C	S	.	.	S	Bend	trans	-78.3	-14.9	175.7	58.3	0	0	0	0	113	R209 K215	R209-T227 HydrophobicContact CB-CG2 4.18Å; R209-T227 PolarHBondContact NH1-O 2.79Å; K215-T227 HydrophobicContact CG-CG2 4.02Å
228	R	93.4	Very high	92.9	Very high	99 Å²	99	79.8 Å²	79.8	37%	0.374	38%	0.383	S	S	.	.	S	Bend	trans	-135.2	137	-178.4	-67.5	-179.5	-179.9	-177.4	-7.6	110.8	V206 F226 S230 H231 L232	V206-R228 HydrophobicContact CG1-CG 3.67Å; V206-R228 VanDerWaalsContact CG1-NE 3.27Å; F226-R228 VanDerWaalsContact C-N 3.3Å; R228-S230 VanDerWaalsContact C-N 3.3Å; R228-S230 PolarHBondContact O-N 3.34Å; R228-H231 HydrophobicContact CB-CB 4.46Å; R228-H231 PolarHBondContact O-N 2.91Å; R228-H231 VanDerWaalsContact O-N 3.15Å; R228-L232 PolarHBondContact O-N 3.27Å
229	Y	92.6	Very high	92.8	Very high	136 Å²	136	76.9 Å²	76.9	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-37.7	176.4	-178.2	-105.3	0	0	0	113	Y217 H231 L232 K233	Y217-Y229 AromaticContact CD1-CD2 3.83Å; Y217-Y229 HydrophobicContact CD1-CD2 3.83Å; Y217-Y229 HydrophobicContact CD1-CG 4.35Å; Y217-Y229 VanDerWaalsContact CD2-N 3.28Å; Y217-Y229 HydrophobicContact CE1-CD2 4.08Å; Y217-Y229 HydrophobicContact CE1-CG 4.31Å; Y217-Y229 VanDerWaalsContact CE2-N 3.35Å; Y229-H231 VanDerWaalsContact C-N 3.26Å; Y229-H231 PolarHBondContact O-N 3.19Å; Y229-L232 HydrophobicContact CD2-CD2 4.37Å; Y229-L232 HydrophobicContact CE2-CD2 4.48Å; Y229-L232 WeakPolarHBondContact O-CB 3.21Å; Y229-L232 PolarHBondContact O-N 3.08Å; Y229-L232 VanDerWaalsContact O-N 3.16Å; Y229-K233 PolarHBondContact O-N 3.06Å
230	S	91.5	Very high	92.7	Very high	63 Å²	63	80.7 Å²	80.7	44%	0.441	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-35.1	177.5	55.5	0	0	0	0	112.8	R228 K233 I234	R228-S230 VanDerWaalsContact C-N 3.3Å; R228-S230 PolarHBondContact O-N 3.34Å; S230-K233 PolarHBondContact O-N 2.85Å; S230-I234 WeakPolarHBondContact O-CD1 3.36Å; S230-I234 VanDerWaalsContact O-CG1 3.31Å; S230-I234 WeakPolarHBondContact O-CG1 3.48Å; S230-I234 PolarHBondContact O-N 2.78Å
231	H	94.3	Very high	92.6	Very high	79 Å²	79	75.6 Å²	75.6	37%	0.366	38%	0.378	S	S	.	.	H	α-helix	trans	-71	-38.6	176	-64	179.1	0	0	0	111.2	F226 R228 Y229 I234 H235	F226-H231 HydrophobicContact CB-CB 4.23Å; F226-H231 HydrophobicContact CD1-CB 3.84Å; F226-H231 HydrophobicContact CG-CB 4.25Å; R228-H231 HydrophobicContact CB-CB 4.46Å; R228-H231 PolarHBondContact O-N 2.91Å; R228-H231 VanDerWaalsContact O-N 3.15Å; Y229-H231 VanDerWaalsContact C-N 3.26Å; Y229-H231 PolarHBondContact O-N 3.19Å; H231-I234 PolarHBondContact O-N 3.36Å; H231-H235 VanDerWaalsContact O-CB 3.28Å; H231-H235 WeakPolarHBondContact O-CB 3.31Å; H231-H235 PolarHBondContact O-N 3.2Å
232	L	94.2	Very high	92.8	Very high	13 Å²	13	75.1 Å²	75.1	7%	0.068	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-47.9	171.4	178.9	68.5	0	0	0	111	C219 F226 R228 Y229 I234 H235 H236	C219-L232 HydrophobicContact CB-CD1 3.84Å; F226-L232 HydrophobicContact CB-CB 4.46Å; F226-L232 HydrophobicContact CD2-CB 3.97Å; F226-L232 HydrophobicContact CD2-CD1 3.62Å; F226-L232 HydrophobicContact CD2-CG 4.45Å; F226-L232 HydrophobicContact CE2-CD1 3.85Å; F226-L232 HydrophobicContact CG-CB 4.39Å; R228-L232 PolarHBondContact O-N 3.27Å; Y229-L232 HydrophobicContact CD2-CD2 4.37Å; Y229-L232 HydrophobicContact CE2-CD2 4.48Å; Y229-L232 WeakPolarHBondContact O-CB 3.21Å; Y229-L232 PolarHBondContact O-N 3.08Å; Y229-L232 VanDerWaalsContact O-N 3.16Å; L232-I234 VanDerWaalsContact C-N 3.32Å; L232-I234 PolarHBondContact O-N 3.01Å; L232-H235 CarbonylContact O-C 3.57Å; L232-H235 WeakPolarHBondContact O-CA 3.46Å; L232-H235 WeakPolarHBondContact O-CB 3.4Å; L232-H235 PolarHBondContact O-N 3.12Å; L232-H236 WeakPolarHBondContact CD1-NE2 3.24Å; L232-H236 WeakPolarHBondContact CG-NE2 3.22Å; L232-H236 PolarHBondContact O-CD2 3.48Å; L232-H236 VanDerWaalsContact O-CD2 3.22Å; L232-H236 PolarHBondContact O-N 3.33Å
233	K	92.9	Very high	92.8	Very high	121 Å²	121	79.5 Å²	79.5	53%	0.526	39%	0.391	S	S	.	.	H	α-helix	trans	-60.9	-39.3	178.5	-172.1	171.4	-175.3	171.1	0	112.9	Y229 S230 H235	Y229-K233 PolarHBondContact O-N 3.06Å; S230-K233 PolarHBondContact O-N 2.85Å; K233-H235 VanDerWaalsContact C-N 3.34Å
234	I	92.7	Very high	93	Very high	53 Å²	53	74.3 Å²	74.3	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-39.3	174.2	-69.4	163.4	0	0	0	110.6	S230 H231 L232 R237 Q256	S230-I234 WeakPolarHBondContact O-CD1 3.36Å; S230-I234 VanDerWaalsContact O-CG1 3.31Å; S230-I234 WeakPolarHBondContact O-CG1 3.48Å; S230-I234 PolarHBondContact O-N 2.78Å; H231-I234 PolarHBondContact O-N 3.36Å; L232-I234 VanDerWaalsContact C-N 3.32Å; L232-I234 PolarHBondContact O-N 3.01Å; I234-R237 WeakPolarHBondContact O-CB 3.48Å; I234-R237 PolarHBondContact O-N 2.87Å; I234-Q256 HydrophobicContact CG2-CG 3.83Å
235	H	94.5	Very high	93.1	Very high	14 Å²	14	72.1 Å²	72.1	7%	0.065	36%	0.362	C	S	.	.	H	α-helix	trans	-65.6	-39.9	178.4	168.7	63.7	0	0	0	112.7	C222 F226 H231 L232 K233 R237 L238 H239	C222-H235 PolarHBondContact SG-NE2 3.31Å; F226-H235 HydrophobicContact CE1-CB 3.97Å; F226-H235 HydrophobicContact CE2-CB 3.79Å; F226-H235 AromaticContact CE2-CD2 3.28Å; F226-H235 WeakPolarHBondContact CE2-CD2 3.42Å; F226-H235 AromaticContact CE2-CG 3.55Å; F226-H235 HydrophobicContact CZ-CB 3.37Å; F226-H235 AromaticContact CZ-CD2 3.42Å; F226-H235 VanDerWaalsContact CZ-CD2 3.42Å; F226-H235 WeakPolarHBondContact CZ-CD2 3.3Å; F226-H235 AromaticContact CZ-CG 3.18Å; F226-H235 AromaticContact CZ-ND1 3.73Å; H231-H235 VanDerWaalsContact O-CB 3.28Å; H231-H235 WeakPolarHBondContact O-CB 3.31Å; H231-H235 PolarHBondContact O-N 3.2Å; L232-H235 CarbonylContact O-C 3.57Å; L232-H235 WeakPolarHBondContact O-CA 3.46Å; L232-H235 WeakPolarHBondContact O-CB 3.4Å; L232-H235 PolarHBondContact O-N 3.12Å; K233-H235 VanDerWaalsContact C-N 3.34Å; H235-R237 PolarHBondContact O-N 2.58Å; H235-R237 VanDerWaalsContact O-N 3.11Å; H235-L238 VanDerWaalsContact O-CB 3.24Å; H235-L238 WeakPolarHBondContact O-CB 3.39Å; H235-L238 PolarHBondContact O-N 3.17Å; H235-H239 AromaticContact CE1-NE2 3.48Å; H235-H239 PolarHBondContact CE1-NE2 3.09Å; H235-H239 AromaticContact NE2-CD2 3.8Å; H235-H239 AromaticContact NE2-NE2 3.25Å; H235-H239 PolarHBondContact NE2-NE2 3.31Å
236	H	92.1	Very high	93.2	Very high	63 Å²	63	76.2 Å²	76.2	29%	0.292	38%	0.375	S	S	.	.	H	α-helix	trans	-55.2	-30.2	175.9	-76.1	-158	0	0	0	112.4	L232 L238 H239 T240	L232-H236 WeakPolarHBondContact CD1-NE2 3.24Å; L232-H236 WeakPolarHBondContact CG-NE2 3.22Å; L232-H236 PolarHBondContact O-CD2 3.48Å; L232-H236 VanDerWaalsContact O-CD2 3.22Å; L232-H236 PolarHBondContact O-N 3.33Å; H236-L238 PolarHBondContact O-N 2.94Å; H236-H239 WeakPolarHBondContact O-CB 3.16Å; H236-H239 PolarHBondContact O-N 3.26Å; H236-T240 PolarHBondContact O-N 3.49Å; H236-T240 PolarHBondContact O-OG1 3.04Å
237	R	93	Very high	93.2	Very high	42 Å²	42	74.2 Å²	74.2	16%	0.158	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-19.8	175.2	-60.6	-178.9	-179	150.4	5.2	114.2	I234 H235 H239 T240 G241 E242 A255	I234-R237 WeakPolarHBondContact O-CB 3.48Å; I234-R237 PolarHBondContact O-N 2.87Å; H235-R237 PolarHBondContact O-N 2.58Å; H235-R237 VanDerWaalsContact O-N 3.11Å; R237-H239 VanDerWaalsContact C-N 3.3Å; R237-T240 WeakPolarHBondContact CA-OG1 3.5Å; R237-G241 CarbonylContact O-C 3.59Å; R237-G241 WeakPolarHBondContact O-CA 3.45Å; R237-G241 PolarHBondContact O-N 3.03Å; R237-E242 HydrophobicContact CB-CB 4.38Å; R237-E242 HydrophobicContact CG-CB 4.25Å; R237-E242 PolarHBondContact O-N 3.22Å; R237-A255 HydrophobicContact CB-CB 4.35Å; R237-A255 WeakPolarHBondContact CD-O 3.25Å; R237-A255 PolarHBondContact NH1-O 2.85Å
238	L	90.4	Very high	93.2	Very high	129 Å²	129	79.9 Å²	79.9	68%	0.675	40%	0.395	S	S	*	.	H	α-helix	trans	-71.8	-30.6	172.8	-62.1	176.6	0	0	0	111.5	H235 H236	H235-L238 VanDerWaalsContact O-CB 3.24Å; H235-L238 WeakPolarHBondContact O-CB 3.39Å; H235-L238 PolarHBondContact O-N 3.17Å; H236-L238 PolarHBondContact O-N 2.94Å
239	H	92.3	Very high	93.2	Very high	68 Å²	68	81.1 Å²	81.1	32%	0.315	41%	0.405	S	S	.	.	H	α-helix	trans	-81.3	-50	177.6	-68.8	-80.7	0	0	0	111.7	E221 C222 H235 H236 R237 G241	E221-H239 WeakPolarHBondContact OE2-CB 3.48Å; E221-H239 IonicContact OE2-CG 3.17Å; E221-H239 VanDerWaalsContact OE2-CG 3.29Å; E221-H239 IonicContact OE2-ND1 3.73Å; E221-H239 PolarHBondContact OE2-ND1 3.16Å; C222-H239 PolarHBondContact SG-NE2 3.49Å; C222-H239 VanDerWaalsContact SG-NE2 3.43Å; H235-H239 AromaticContact CE1-NE2 3.48Å; H235-H239 PolarHBondContact CE1-NE2 3.09Å; H235-H239 AromaticContact NE2-CD2 3.8Å; H235-H239 AromaticContact NE2-NE2 3.25Å; H235-H239 PolarHBondContact NE2-NE2 3.31Å; H236-H239 WeakPolarHBondContact O-CB 3.16Å; H236-H239 PolarHBondContact O-N 3.26Å; R237-H239 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 2.88Å
240	T	91	Very high	93.2	Very high	82 Å²	82	77.2 Å²	77.2	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-71.8	-15.2	179.4	63.9	0	0	0	0	113	H236 R237 E242	H236-T240 PolarHBondContact O-N 3.49Å; H236-T240 PolarHBondContact O-OG1 3.04Å; R237-T240 WeakPolarHBondContact CA-OG1 3.5Å; T240-E242 PolarHBondContact O-N 3.37Å; T240-E242 WeakPolarHBondContact OG1-CB 3.45Å; T240-E242 WeakPolarHBondContact OG1-CG 3.48Å; T240-E242 PolarHBondContact OG1-N 3.28Å
241	G	90.7	Very high	93.3	Very high	47 Å²	47	75.9 Å²	75.9	49%	0.485	39%	0.393	S	S	.	.			trans	69.6	6.7	-173.7	0	0	0	0	0	113.9	R237 H239 K243	R237-G241 CarbonylContact O-C 3.59Å; R237-G241 WeakPolarHBondContact O-CA 3.45Å; R237-G241 PolarHBondContact O-N 3.03Å; H239-G241 PolarHBondContact O-N 2.88Å; G241-K243 PolarHBondContact O-N 2.84Å
242	E	92.8	Very high	93.3	Very high	110 Å²	110	78 Å²	78	51%	0.514	40%	0.401	S	S	.	.			trans	-59	128.4	-177.9	-82.3	-175.3	176.7	0	0	112.2	R237 T240	R237-E242 HydrophobicContact CB-CB 4.38Å; R237-E242 HydrophobicContact CG-CB 4.25Å; R237-E242 PolarHBondContact O-N 3.22Å; T240-E242 PolarHBondContact O-N 3.37Å; T240-E242 WeakPolarHBondContact OG1-CB 3.45Å; T240-E242 WeakPolarHBondContact OG1-CG 3.48Å; T240-E242 PolarHBondContact OG1-N 3.28Å
243	K	94.4	Very high	93.4	Very high	128 Å²	128	79.5 Å²	79.5	56%	0.557	41%	0.413	S	S	*	.			trans	-128.7	76.6	176.7	-70.6	168.4	176.4	178.9	0	110.3	G241 Y245 S253 F254	G241-K243 PolarHBondContact O-N 2.84Å; K243-Y245 PolarHBondContact O-N 3.43Å; K243-S253 WeakPolarHBondContact CD-O 3.26Å; K243-S253 WeakPolarHBondContact O-CB 3.37Å; K243-F254 CarbonylContact C-O 3.44Å; K243-F254 VanDerWaalsContact C-O 3.28Å; K243-F254 VanDerWaalsContact CA-O 3.31Å; K243-F254 WeakPolarHBondContact CA-O 3.38Å
244	P	93.3	Very high	93.5	Very high	74 Å²	74	75.8 Å²	75.8	48%	0.481	40%	0.396	S	S	.	.			trans	-66.2	-20.9	-172.3	-21.3	34	0	0	0	113.9
245	Y	95.9	Very high	93.6	Very high	79 Å²	79	74.2 Å²	74.2	31%	0.31	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	98.9	-172.1	-58.2	-74.4	0	0	0	110.5	K243 S253 F254 Y257	K243-Y245 PolarHBondContact O-N 3.43Å; Y245-S253 CarbonylContact O-C 3.58Å; Y245-S253 VanDerWaalsContact O-CA 3.31Å; Y245-S253 WeakPolarHBondContact O-CA 3.36Å; Y245-F254 PolarHBondContact N-O 3.03Å; Y245-F254 VanDerWaalsContact N-O 3.15Å; Y245-F254 PolarHBondContact O-N 3.46Å; Y245-Y257 AromaticContact CD1-CD2 3.71Å; Y245-Y257 HydrophobicContact CD1-CD2 3.71Å; Y245-Y257 HydrophobicContact CD1-CG 4.29Å; Y245-Y257 AromaticContact CE1-CD2 3.93Å; Y245-Y257 HydrophobicContact CE1-CD2 3.93Å; Y245-Y257 HydrophobicContact CE1-CG 4.2Å; Y245-Y257 HydrophobicContact CG-CD2 4.45Å
246	K	96.5	Very high	93.5	Very high	125 Å²	125	77 Å²	77	54%	0.543	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.9	179.1	-170.2	175.9	177.6	-176.3	0	111.4
247	C	95.7	Very high	93.6	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	41%	0.412	C	S	.	.			trans	-80.6	123.2	167.3	177.4	0	0	0	0	109.4	E249 G251 K252 F254 L260 H267	C247-E249 VanDerWaalsContact C-N 3.3Å; C247-E249 PolarHBondContact O-N 2.81Å; C247-G251 WeakPolarHBondContact O-CA 3.47Å; C247-G251 PolarHBondContact O-N 3.42Å; C247-K252 WeakPolarHBondContact CB-O 3.11Å; C247-K252 PolarHBondContact N-O 3.15Å; C247-F254 HydrophobicContact CB-CE2 4.39Å; C247-L260 HydrophobicContact CB-CD1 3.67Å; C247-H267 PolarHBondContact SG-NE2 3.35Å
248	N	93.8	Very high	93.6	Very high	152 Å²	152	80.4 Å²	80.4	81%	0.813	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.4	-178.3	-65.5	-9.1	0	0	0	112.7
249	E	92.4	Very high	93.8	Very high	126 Å²	126	77.2 Å²	77.2	59%	0.589	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-36	-174.2	-65.8	171.9	-144.9	0	0	113.7	C247 H267	C247-E249 VanDerWaalsContact C-N 3.3Å; C247-E249 PolarHBondContact O-N 2.81Å; E249-H267 WeakPolarHBondContact OE2-CB 3.43Å; E249-H267 IonicContact OE2-CD2 2.83Å; E249-H267 PolarHBondContact OE2-CD2 3.01Å; E249-H267 IonicContact OE2-CG 3.93Å; E249-H267 IonicContact OE2-ND1 2.98Å
250	C	93.5	Very high	93.9	Very high	54 Å²	54	74.5 Å²	74.5	37%	0.365	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	4.6	-179.6	75.4	0	0	0	0	114.7	K252 H263	C250-K252 PolarHBondContact O-N 3.38Å; C250-H263 PolarHBondContact SG-NE2 3.46Å
251	G	92.7	Very high	94.1	Very high	34 Å²	34	75.8 Å²	75.8	35%	0.351	40%	0.395	S	S	.	.			trans	69.5	-4.6	179.5	0	0	0	0	0	115.7	C247 S253	C247-G251 WeakPolarHBondContact O-CA 3.47Å; C247-G251 PolarHBondContact O-N 3.42Å; G251-S253 PolarHBondContact O-N 3.37Å
252	K	95.5	Very high	94.2	Very high	125 Å²	125	75 Å²	75	54%	0.543	38%	0.381	S	S	.	.			trans	-65.7	133.6	-179.9	-72.9	-179.4	-176.6	173	0	111.3	C247 C250 F254	C247-K252 WeakPolarHBondContact CB-O 3.11Å; C247-K252 PolarHBondContact N-O 3.15Å; C250-K252 PolarHBondContact O-N 3.38Å; K252-F254 HydrophobicContact CB-CE2 4.07Å; K252-F254 HydrophobicContact CB-CZ 4.16Å; K252-F254 WeakPolarHBondContact O-CE2 3.35Å
253	S	96.1	Very high	94.3	Very high	44 Å²	44	70.9 Å²	70.9	31%	0.308	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.8	179.7	-53.3	0	0	0	0	112.9	K243 Y245 G251	K243-S253 WeakPolarHBondContact CD-O 3.26Å; K243-S253 WeakPolarHBondContact O-CB 3.37Å; Y245-S253 CarbonylContact O-C 3.58Å; Y245-S253 VanDerWaalsContact O-CA 3.31Å; Y245-S253 WeakPolarHBondContact O-CA 3.36Å; G251-S253 PolarHBondContact O-N 3.37Å
254	F	95.3	Very high	94.3	Very high	42 Å²	42	68 Å²	68	18%	0.184	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.1	-176.7	-58.8	-88.7	0	0	0	111.2	K243 Y245 C247 K252 Q256 D259 L260 H263	K243-F254 CarbonylContact C-O 3.44Å; K243-F254 VanDerWaalsContact C-O 3.28Å; K243-F254 VanDerWaalsContact CA-O 3.31Å; K243-F254 WeakPolarHBondContact CA-O 3.38Å; Y245-F254 PolarHBondContact N-O 3.03Å; Y245-F254 VanDerWaalsContact N-O 3.15Å; Y245-F254 PolarHBondContact O-N 3.46Å; C247-F254 HydrophobicContact CB-CE2 4.39Å; K252-F254 HydrophobicContact CB-CE2 4.07Å; K252-F254 HydrophobicContact CB-CZ 4.16Å; K252-F254 WeakPolarHBondContact O-CE2 3.35Å; F254-Q256 VanDerWaalsContact C-N 3.31Å; F254-D259 HydrophobicContact CB-CB 4.17Å; F254-D259 HydrophobicContact CD1-CB 3.85Å; F254-D259 HydrophobicContact CG-CB 4.26Å; F254-L260 HydrophobicContact CB-CB 4.32Å; F254-L260 HydrophobicContact CD2-CB 3.87Å; F254-L260 HydrophobicContact CD2-CD1 3.83Å; F254-L260 HydrophobicContact CD2-CG 4.46Å; F254-L260 HydrophobicContact CE2-CD1 4.01Å; F254-L260 HydrophobicContact CG-CB 4.26Å; F254-H263 HydrophobicContact CE1-CB 3.87Å; F254-H263 HydrophobicContact CE2-CB 3.78Å; F254-H263 AromaticContact CE2-CD2 3.37Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.27Å; F254-H263 AromaticContact CE2-CG 3.51Å; F254-H263 AromaticContact CE2-NE2 3.97Å; F254-H263 HydrophobicContact CZ-CB 3.37Å; F254-H263 AromaticContact CZ-CD2 3.48Å; F254-H263 VanDerWaalsContact CZ-CD2 3.48Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.43Å; F254-H263 AromaticContact CZ-CE1 3.93Å; F254-H263 AromaticContact CZ-CG 3.12Å; F254-H263 AromaticContact CZ-ND1 3.46Å; F254-H263 WeakPolarHBondContact CZ-ND1 3.07Å; F254-H263 AromaticContact CZ-NE2 3.94Å
255	A	93.3	Very high	94.3	Very high	20 Å²	20	67.1 Å²	67.1	17%	0.165	34%	0.337	C	S	.	.	S	Bend	trans	-75.4	-22.3	177.4	0	0	0	0	0	112.7	R237	R237-A255 HydrophobicContact CB-CB 4.35Å; R237-A255 WeakPolarHBondContact CD-O 3.25Å; R237-A255 PolarHBondContact NH1-O 2.85Å
256	Q	93.8	Very high	94.1	Very high	73 Å²	73	68 Å²	68	34%	0.341	35%	0.346	S	S	.	.	S	Bend	trans	-129.9	146.3	179.5	-58.9	-175	44.2	0	0	111.3	I234 F254 S258 D259 L260	I234-Q256 HydrophobicContact CG2-CG 3.83Å; F254-Q256 VanDerWaalsContact C-N 3.31Å; Q256-S258 PolarHBondContact O-N 3.08Å; Q256-D259 PolarHBondContact O-N 3.07Å; Q256-L260 PolarHBondContact O-N 3.15Å
257	Y	94.2	Very high	93.9	Very high	114 Å²	114	65.2 Å²	65.2	45%	0.447	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-34.9	-179.8	-177.8	-112.2	0	0	0	113	Y245 D259 L260 K261	Y245-Y257 AromaticContact CD1-CD2 3.71Å; Y245-Y257 HydrophobicContact CD1-CD2 3.71Å; Y245-Y257 HydrophobicContact CD1-CG 4.29Å; Y245-Y257 AromaticContact CE1-CD2 3.93Å; Y245-Y257 HydrophobicContact CE1-CD2 3.93Å; Y245-Y257 HydrophobicContact CE1-CG 4.2Å; Y245-Y257 HydrophobicContact CG-CD2 4.45Å; Y257-D259 VanDerWaalsContact C-N 3.29Å; Y257-D259 PolarHBondContact O-N 3.08Å; Y257-L260 HydrophobicContact CD2-CD2 4.34Å; Y257-L260 HydrophobicContact CE2-CD2 4.45Å; Y257-L260 WeakPolarHBondContact O-CB 3.38Å; Y257-L260 PolarHBondContact O-N 2.9Å; Y257-K261 HydrophobicContact CD1-CG 4.42Å; Y257-K261 HydrophobicContact CE1-CD 3.9Å; Y257-K261 VanDerWaalsContact CE1-CE 3.41Å; Y257-K261 HydrophobicContact CE1-CG 3.92Å; Y257-K261 VanDerWaalsContact CZ-CE 3.5Å; Y257-K261 PolarHBondContact O-N 3.26Å; Y257-K261 WeakPolarHBondContact OH-CE 3.49Å
258	S	92.4	Very high	93.7	Very high	62 Å²	62	69.9 Å²	69.9	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-39.5	175.2	46.7	0	0	0	0	112	Q256 K261 V262	Q256-S258 PolarHBondContact O-N 3.08Å; S258-K261 PolarHBondContact O-N 3.26Å; S258-V262 WeakPolarHBondContact O-CG2 3.26Å; S258-V262 PolarHBondContact O-N 3.23Å
259	D	94.2	Very high	93.5	Very high	62 Å²	62	64.8 Å²	64.8	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-67.4	-40.1	176.3	-67.7	-41.1	0	0	0	111.5	F254 Q256 Y257 V262 H263	F254-D259 HydrophobicContact CB-CB 4.17Å; F254-D259 HydrophobicContact CD1-CB 3.85Å; F254-D259 HydrophobicContact CG-CB 4.26Å; Q256-D259 PolarHBondContact O-N 3.07Å; Y257-D259 VanDerWaalsContact C-N 3.29Å; Y257-D259 PolarHBondContact O-N 3.08Å; D259-V262 PolarHBondContact O-N 3.06Å; D259-H263 VanDerWaalsContact O-CB 3.22Å; D259-H263 WeakPolarHBondContact O-CB 3.02Å; D259-H263 PolarHBondContact O-N 3.26Å
260	L	95.1	Very high	93.5	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-48.8	171.6	172.3	61.9	0	0	0	111.2	C247 F254 Q256 Y257 V262 H263 Q264	C247-L260 HydrophobicContact CB-CD1 3.67Å; F254-L260 HydrophobicContact CB-CB 4.32Å; F254-L260 HydrophobicContact CD2-CB 3.87Å; F254-L260 HydrophobicContact CD2-CD1 3.83Å; F254-L260 HydrophobicContact CD2-CG 4.46Å; F254-L260 HydrophobicContact CE2-CD1 4.01Å; F254-L260 HydrophobicContact CG-CB 4.26Å; Q256-L260 PolarHBondContact O-N 3.15Å; Y257-L260 HydrophobicContact CD2-CD2 4.34Å; Y257-L260 HydrophobicContact CE2-CD2 4.45Å; Y257-L260 WeakPolarHBondContact O-CB 3.38Å; Y257-L260 PolarHBondContact O-N 2.9Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.35Å; L260-H263 CarbonylContact O-C 3.42Å; L260-H263 WeakPolarHBondContact O-CA 3.46Å; L260-H263 WeakPolarHBondContact O-CB 3.4Å; L260-H263 PolarHBondContact O-N 3.34Å; L260-Q264 HydrophobicContact CD1-CG 4.09Å; L260-Q264 HydrophobicContact CG-CG 4.48Å; L260-Q264 WeakPolarHBondContact O-CG 3.48Å; L260-Q264 PolarHBondContact O-N 3.33Å
261	K	94.4	Very high	93.5	Very high	110 Å²	110	65.1 Å²	65.1	48%	0.478	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-43	179.1	-85.8	-153.1	170.5	-173.2	0	112.6	Y257 S258 H263 Q264	Y257-K261 HydrophobicContact CD1-CG 4.42Å; Y257-K261 HydrophobicContact CE1-CD 3.9Å; Y257-K261 VanDerWaalsContact CE1-CE 3.41Å; Y257-K261 HydrophobicContact CE1-CG 3.92Å; Y257-K261 VanDerWaalsContact CZ-CE 3.5Å; Y257-K261 PolarHBondContact O-N 3.26Å; Y257-K261 WeakPolarHBondContact OH-CE 3.49Å; S258-K261 PolarHBondContact O-N 3.26Å; K261-H263 VanDerWaalsContact C-N 3.31Å; K261-Q264 PolarHBondContact O-N 3.32Å
262	V	93	Very high	93.5	Very high	31 Å²	31	66.6 Å²	66.6	19%	0.188	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-34	176.6	178.2	0	0	0	0	111.3	S258 D259 L260 R265 K284	S258-V262 WeakPolarHBondContact O-CG2 3.26Å; S258-V262 PolarHBondContact O-N 3.23Å; D259-V262 PolarHBondContact O-N 3.06Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.35Å; V262-R265 WeakPolarHBondContact O-CB 3.49Å; V262-R265 PolarHBondContact O-N 3.09Å; V262-K284 HydrophobicContact CG1-CD 4.13Å; V262-K284 HydrophobicContact CG1-CG 3.67Å
263	H	94.8	Very high	93.5	Very high	22 Å²	22	64.4 Å²	64.4	10%	0.102	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-42.9	174.8	168.4	75.5	0	0	0	112.1	C250 F254 D259 L260 K261 R265 I266 H267	C250-H263 PolarHBondContact SG-NE2 3.46Å; F254-H263 HydrophobicContact CE1-CB 3.87Å; F254-H263 HydrophobicContact CE2-CB 3.78Å; F254-H263 AromaticContact CE2-CD2 3.37Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.27Å; F254-H263 AromaticContact CE2-CG 3.51Å; F254-H263 AromaticContact CE2-NE2 3.97Å; F254-H263 HydrophobicContact CZ-CB 3.37Å; F254-H263 AromaticContact CZ-CD2 3.48Å; F254-H263 VanDerWaalsContact CZ-CD2 3.48Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.43Å; F254-H263 AromaticContact CZ-CE1 3.93Å; F254-H263 AromaticContact CZ-CG 3.12Å; F254-H263 AromaticContact CZ-ND1 3.46Å; F254-H263 WeakPolarHBondContact CZ-ND1 3.07Å; F254-H263 AromaticContact CZ-NE2 3.94Å; D259-H263 VanDerWaalsContact O-CB 3.22Å; D259-H263 WeakPolarHBondContact O-CB 3.02Å; D259-H263 PolarHBondContact O-N 3.26Å; L260-H263 CarbonylContact O-C 3.42Å; L260-H263 WeakPolarHBondContact O-CA 3.46Å; L260-H263 WeakPolarHBondContact O-CB 3.4Å; L260-H263 PolarHBondContact O-N 3.34Å; K261-H263 VanDerWaalsContact C-N 3.31Å; H263-R265 PolarHBondContact O-N 2.85Å; H263-I266 WeakPolarHBondContact CE1-CD1 3.35Å; H263-I266 WeakPolarHBondContact ND1-CD1 3.36Å; H263-I266 WeakPolarHBondContact O-CB 3.38Å; H263-I266 WeakPolarHBondContact O-CG1 3.26Å; H263-I266 WeakPolarHBondContact O-CG2 3.47Å; H263-I266 PolarHBondContact O-N 3.25Å; H263-H267 AromaticContact CE1-NE2 3.99Å; H263-H267 AromaticContact NE2-NE2 3.39Å; H263-H267 PolarHBondContact NE2-NE2 2.89Å
264	Q	93.7	Very high	93.5	Very high	68 Å²	68	68.3 Å²	68.3	32%	0.318	35%	0.347	S	S	.	.	H	α-helix	trans	-56	-27.7	178.9	-73.9	173.8	-49.4	0	0	113	L260 K261 I266 H267 T268	L260-Q264 HydrophobicContact CD1-CG 4.09Å; L260-Q264 HydrophobicContact CG-CG 4.48Å; L260-Q264 WeakPolarHBondContact O-CG 3.48Å; L260-Q264 PolarHBondContact O-N 3.33Å; K261-Q264 PolarHBondContact O-N 3.32Å; Q264-I266 PolarHBondContact O-N 3.42Å; Q264-I266 VanDerWaalsContact O-N 3.15Å; Q264-H267 PolarHBondContact O-N 3.32Å; Q264-T268 PolarHBondContact O-N 3.18Å
265	R	93.9	Very high	93.4	Very high	56 Å²	56	66.3 Å²	66.3	21%	0.211	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-19.2	174.2	-62.5	-177.7	176.4	158.6	1.2	114.4	V262 H263 H267 G269 D270 T283	V262-R265 WeakPolarHBondContact O-CB 3.49Å; V262-R265 PolarHBondContact O-N 3.09Å; H263-R265 PolarHBondContact O-N 2.85Å; R265-H267 VanDerWaalsContact C-N 3.25Å; R265-G269 CarbonylContact O-C 3.6Å; R265-G269 WeakPolarHBondContact O-CA 3.33Å; R265-G269 PolarHBondContact O-N 3.29Å; R265-D270 HydrophobicContact CB-CB 4.32Å; R265-D270 WeakPolarHBondContact CB-O 3.47Å; R265-D270 HydrophobicContact CG-CB 4.21Å; R265-D270 IonicContact NE-OD2 3.76Å; R265-D270 PolarHBondContact O-N 2.87Å; R265-T283 HydrophobicContact CB-CG2 4.26Å; R265-T283 PolarHBondContact NH1-O 3.26Å
266	I	91.6	Very high	93.4	Very high	97 Å²	97	72.3 Å²	72.3	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-70	-28.6	174.9	79.5	-178.1	0	0	0	111.7	H263 Q264	H263-I266 WeakPolarHBondContact CE1-CD1 3.35Å; H263-I266 WeakPolarHBondContact ND1-CD1 3.36Å; H263-I266 WeakPolarHBondContact O-CB 3.38Å; H263-I266 WeakPolarHBondContact O-CG1 3.26Å; H263-I266 WeakPolarHBondContact O-CG2 3.47Å; H263-I266 PolarHBondContact O-N 3.25Å; Q264-I266 PolarHBondContact O-N 3.42Å; Q264-I266 VanDerWaalsContact O-N 3.15Å
267	H	92.9	Very high	93.3	Very high	67 Å²	67	74.1 Å²	74.1	31%	0.31	38%	0.38	S	S	.	.	H	α-helix	trans	-87.9	-41	-177.3	-52.6	-53.6	0	0	0	111.3	C247 E249 H263 Q264 R265 G269	C247-H267 PolarHBondContact SG-NE2 3.35Å; E249-H267 WeakPolarHBondContact OE2-CB 3.43Å; E249-H267 IonicContact OE2-CD2 2.83Å; E249-H267 PolarHBondContact OE2-CD2 3.01Å; E249-H267 IonicContact OE2-CG 3.93Å; E249-H267 IonicContact OE2-ND1 2.98Å; H263-H267 AromaticContact CE1-NE2 3.99Å; H263-H267 AromaticContact NE2-NE2 3.39Å; H263-H267 PolarHBondContact NE2-NE2 2.89Å; Q264-H267 PolarHBondContact O-N 3.32Å; R265-H267 VanDerWaalsContact C-N 3.25Å; H267-G269 PolarHBondContact O-N 2.78Å
268	T	90.8	Very high	93.2	Very high	98 Å²	98	71.2 Å²	71.2	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-74.6	-14.3	174.2	64.5	0	0	0	0	112.9	Q264 D270	Q264-T268 PolarHBondContact O-N 3.18Å; T268-D270 PolarHBondContact O-N 3.37Å; T268-D270 VanDerWaalsContact OG1-CB 3.23Å; T268-D270 WeakPolarHBondContact OG1-CB 3.39Å; T268-D270 PolarHBondContact OG1-N 3.19Å
269	G	89.9	Confident	93.1	Very high	45 Å²	45	69.9 Å²	69.9	46%	0.464	37%	0.372	S	S	.	.			trans	70.4	5.3	-171.8	0	0	0	0	0	114.2	R265 H267 K271	R265-G269 CarbonylContact O-C 3.6Å; R265-G269 WeakPolarHBondContact O-CA 3.33Å; R265-G269 PolarHBondContact O-N 3.29Å; H267-G269 PolarHBondContact O-N 2.78Å; G269-K271 PolarHBondContact O-N 3.07Å
270	D	92.7	Very high	93.1	Very high	71 Å²	71	73 Å²	73	38%	0.38	38%	0.382	S	S	.	.			trans	-62.4	125.3	-174.7	177.4	32.7	0	0	0	112.2	R265 T268 P272	R265-D270 HydrophobicContact CB-CB 4.32Å; R265-D270 WeakPolarHBondContact CB-O 3.47Å; R265-D270 HydrophobicContact CG-CB 4.21Å; R265-D270 IonicContact NE-OD2 3.76Å; R265-D270 PolarHBondContact O-N 2.87Å; T268-D270 PolarHBondContact O-N 3.37Å; T268-D270 VanDerWaalsContact OG1-CB 3.23Å; T268-D270 WeakPolarHBondContact OG1-CB 3.39Å; T268-D270 PolarHBondContact OG1-N 3.19Å; D270-P272 WeakPolarHBondContact OD1-CD 3.38Å; D270-P272 WeakPolarHBondContact OD1-CG 3.22Å; D270-P272 VanDerWaalsContact OD2-CG 3.25Å; D270-P272 WeakPolarHBondContact OD2-CG 3.38Å
271	K	93.8	Very high	93.1	Very high	116 Å²	116	74.6 Å²	74.6	50%	0.504	39%	0.394	S	S	.	.			trans	-132.6	75.4	179.3	-68.5	169.4	-174.4	174.9	0	109.5	G269 Y273 S281 F282 T283	G269-K271 PolarHBondContact O-N 3.07Å; K271-Y273 PolarHBondContact O-N 3.41Å; K271-S281 WeakPolarHBondContact O-CB 3.22Å; K271-F282 CarbonylContact C-O 3.49Å; K271-F282 WeakPolarHBondContact CA-O 3.5Å; K271-T283 HydrophobicContact CG-CG2 4.01Å
272	P	92.8	Very high	93	Very high	64 Å²	64	71.4 Å²	71.4	42%	0.416	38%	0.38	S	S	.	.			trans	-63.4	-21	-171.4	-23.7	33.7	0	0	0	114.4	D270 K274	D270-P272 WeakPolarHBondContact OD1-CD 3.38Å; D270-P272 WeakPolarHBondContact OD1-CG 3.22Å; D270-P272 VanDerWaalsContact OD2-CG 3.25Å; D270-P272 WeakPolarHBondContact OD2-CG 3.38Å; P272-K274 PolarHBondContact O-N 3.39Å
273	Y	94.9	Very high	93	Very high	79 Å²	79	71.7 Å²	71.7	31%	0.31	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	91.3	-172.8	-55.3	-72	0	0	0	110.2	K271 S281 F282 S285	K271-Y273 PolarHBondContact O-N 3.41Å; Y273-S281 CarbonylContact O-C 3.46Å; Y273-S281 WeakPolarHBondContact O-CA 3.36Å; Y273-F282 WeakPolarHBondContact CD2-O 2.78Å; Y273-F282 PolarHBondContact N-O 3.01Å; Y273-F282 PolarHBondContact O-N 3.37Å; Y273-S285 VanDerWaalsContact CE2-N 3.25Å
274	K	95.5	Very high	92.9	Very high	127 Å²	127	74.5 Å²	74.5	55%	0.552	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.4	177.6	-172.3	173.5	178.4	-173.9	0	111.4	P272 S281	P272-K274 PolarHBondContact O-N 3.39Å; K274-S281 WeakPolarHBondContact CG-OG 3.22Å
275	C	94.3	Very high	92.8	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.394	C	S	.	.			trans	-82.8	127.8	167.2	173	0	0	0	0	109.3	C278 G279 K280 F282 L288 H291 H295	C275-C278 VanDerWaalsContact SG-SG 3.69Å; C275-G279 WeakPolarHBondContact O-CA 3.48Å; C275-G279 PolarHBondContact O-N 3.06Å; C275-K280 VanDerWaalsContact CB-O 3.31Å; C275-K280 WeakPolarHBondContact CB-O 3.33Å; C275-K280 PolarHBondContact N-O 3.35Å; C275-F282 HydrophobicContact CB-CE2 4.45Å; C275-L288 HydrophobicContact CB-CD1 3.59Å; C275-H291 PolarHBondContact SG-NE2 3.3Å; C275-H295 VanDerWaalsContact SG-CD2 3.57Å; C275-H295 PolarHBondContact SG-NE2 3.48Å
276	N	93.1	Very high	92.7	Very high	146 Å²	146	74 Å²	74	78%	0.781	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-34.3	-178.8	-65.8	-8.5	0	0	0	111.8
277	D	90.5	Very high	92.7	Very high	110 Å²	110	72.7 Å²	72.7	59%	0.588	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-32	-173.6	-44	-53.4	0	0	0	113.6	H295	D277-H295 HydrophobicContact CB-CB 4.45Å; D277-H295 IonicContact OD2-CD2 2.83Å; D277-H295 PolarHBondContact OD2-CD2 3.32Å; D277-H295 VanDerWaalsContact OD2-CD2 3.22Å; D277-H295 IonicContact OD2-CG 3.1Å
278	C	92.6	Very high	92.7	Very high	54 Å²	54	70.4 Å²	70.4	37%	0.365	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	5.8	-177.2	73.6	0	0	0	0	114.8	C275 K280 H291	C275-C278 VanDerWaalsContact SG-SG 3.69Å; C278-K280 PolarHBondContact O-N 3.13Å; C278-H291 PolarHBondContact SG-NE2 3.46Å
279	G	91.1	Very high	92.8	Very high	34 Å²	34	72.2 Å²	72.2	35%	0.351	39%	0.39	S	S	.	.			trans	68.8	-6.5	-179.4	0	0	0	0	0	115.8	C275 S281	C275-G279 WeakPolarHBondContact O-CA 3.48Å; C275-G279 PolarHBondContact O-N 3.06Å; G279-S281 PolarHBondContact O-N 3.42Å; G279-S281 PolarHBondContact O-OG 3.5Å
280	K	93.7	Very high	92.8	Very high	127 Å²	127	71.7 Å²	71.7	55%	0.552	38%	0.378	S	S	*	.			trans	-62.8	130.9	-179.5	-72.8	-178.6	-176.9	171.9	0	110.7	C275 C278 F282	C275-K280 VanDerWaalsContact CB-O 3.31Å; C275-K280 WeakPolarHBondContact CB-O 3.33Å; C275-K280 PolarHBondContact N-O 3.35Å; C278-K280 PolarHBondContact O-N 3.13Å; K280-F282 HydrophobicContact CB-CE2 4.06Å; K280-F282 HydrophobicContact CB-CZ 4.13Å; K280-F282 WeakPolarHBondContact O-CE2 3.48Å
281	S	94.9	Very high	92.7	Very high	44 Å²	44	69.1 Å²	69.1	31%	0.308	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.7	-177.3	-58.2	0	0	0	0	111.8	K271 Y273 K274 G279	K271-S281 WeakPolarHBondContact O-CB 3.22Å; Y273-S281 CarbonylContact O-C 3.46Å; Y273-S281 WeakPolarHBondContact O-CA 3.36Å; K274-S281 WeakPolarHBondContact CG-OG 3.22Å; G279-S281 PolarHBondContact O-N 3.42Å; G279-S281 PolarHBondContact O-OG 3.5Å
282	F	93.2	Very high	92.6	Very high	43 Å²	43	67 Å²	67	19%	0.189	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.8	-173.6	-58.9	-88.7	0	0	0	111.7	K271 Y273 C275 K280 N287 L288 H291	K271-F282 CarbonylContact C-O 3.49Å; K271-F282 WeakPolarHBondContact CA-O 3.5Å; Y273-F282 WeakPolarHBondContact CD2-O 2.78Å; Y273-F282 PolarHBondContact N-O 3.01Å; Y273-F282 PolarHBondContact O-N 3.37Å; C275-F282 HydrophobicContact CB-CE2 4.45Å; K280-F282 HydrophobicContact CB-CE2 4.06Å; K280-F282 HydrophobicContact CB-CZ 4.13Å; K280-F282 WeakPolarHBondContact O-CE2 3.48Å; F282-N287 HydrophobicContact CB-CB 4.19Å; F282-N287 HydrophobicContact CD1-CB 3.9Å; F282-N287 HydrophobicContact CG-CB 4.25Å; F282-L288 HydrophobicContact CB-CB 4.45Å; F282-L288 HydrophobicContact CD2-CB 3.89Å; F282-L288 HydrophobicContact CD2-CD1 3.9Å; F282-L288 HydrophobicContact CE2-CD1 4.03Å; F282-L288 HydrophobicContact CG-CB 4.38Å; F282-H291 HydrophobicContact CE1-CB 4.04Å; F282-H291 HydrophobicContact CE2-CB 3.8Å; F282-H291 AromaticContact CE2-CD2 3.37Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.43Å; F282-H291 AromaticContact CE2-CG 3.57Å; F282-H291 HydrophobicContact CZ-CB 3.41Å; F282-H291 VanDerWaalsContact CZ-CB 3.41Å; F282-H291 AromaticContact CZ-CD2 3.48Å; F282-H291 VanDerWaalsContact CZ-CD2 3.48Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.4Å; F282-H291 AromaticContact CZ-CG 3.2Å; F282-H291 AromaticContact CZ-ND1 3.72Å
283	T	92.3	Very high	92.5	Very high	37 Å²	37	67.6 Å²	67.6	23%	0.227	35%	0.35	C	S	.	.	S	Bend	trans	-79.6	-17.3	176.7	57.7	0	0	0	0	113.4	R265 K271	R265-T283 HydrophobicContact CB-CG2 4.26Å; R265-T283 PolarHBondContact NH1-O 3.26Å; K271-T283 HydrophobicContact CG-CG2 4.01Å
284	K	92.4	Very high	92.2	Very high	82 Å²	82	69.2 Å²	69.2	36%	0.357	36%	0.362	S	S	.	.	S	Bend	trans	-130.3	136.6	179.6	-67.3	-174.7	178	-173	0	110.6	V262 S286 N287 L288	V262-K284 HydrophobicContact CG1-CD 4.13Å; V262-K284 HydrophobicContact CG1-CG 3.67Å; K284-S286 VanDerWaalsContact C-N 3.28Å; K284-S286 PolarHBondContact O-N 2.75Å; K284-N287 HydrophobicContact CB-CB 4.42Å; K284-N287 WeakPolarHBondContact O-CB 3.21Å; K284-N287 PolarHBondContact O-N 3.21Å; K284-N287 VanDerWaalsContact O-N 3.1Å; K284-L288 PolarHBondContact O-N 2.77Å
285	S	92.9	Very high	91.9	Very high	45 Å²	45	66.8 Å²	66.8	32%	0.315	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-37.2	175.9	177.7	0	0	0	0	112.4	Y273 N287 L288 K289	Y273-S285 VanDerWaalsContact CE2-N 3.25Å; S285-N287 VanDerWaalsContact C-N 3.27Å; S285-N287 PolarHBondContact O-N 3.46Å; S285-L288 WeakPolarHBondContact O-CB 3.17Å; S285-L288 PolarHBondContact O-N 2.9Å; S285-L288 VanDerWaalsContact O-N 3.14Å; S285-K289 PolarHBondContact O-N 2.79Å
286	S	90.9	Very high	91.6	Very high	69 Å²	69	71.7 Å²	71.7	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-34.7	176.5	53.7	0	0	0	0	112.8	K284 K289 V290	K284-S286 VanDerWaalsContact C-N 3.28Å; K284-S286 PolarHBondContact O-N 2.75Å; S286-K289 PolarHBondContact O-N 3.39Å; S286-V290 WeakPolarHBondContact O-CG2 3.44Å; S286-V290 PolarHBondContact O-N 2.85Å; S286-V290 VanDerWaalsContact O-N 3.1Å
287	N	92.4	Very high	91.2	Very high	69 Å²	69	67 Å²	67	37%	0.369	37%	0.369	S	S	.	.	H	α-helix	trans	-69.9	-38.7	175.4	-70.9	-10.5	0	0	0	111.3	F282 K284 S285 V290 H291	F282-N287 HydrophobicContact CB-CB 4.19Å; F282-N287 HydrophobicContact CD1-CB 3.9Å; F282-N287 HydrophobicContact CG-CB 4.25Å; K284-N287 HydrophobicContact CB-CB 4.42Å; K284-N287 WeakPolarHBondContact O-CB 3.21Å; K284-N287 PolarHBondContact O-N 3.21Å; K284-N287 VanDerWaalsContact O-N 3.1Å; S285-N287 VanDerWaalsContact C-N 3.27Å; S285-N287 PolarHBondContact O-N 3.46Å; N287-V290 PolarHBondContact O-N 3.21Å; N287-H291 VanDerWaalsContact O-CB 3.25Å; N287-H291 WeakPolarHBondContact O-CB 3.22Å; N287-H291 PolarHBondContact O-N 3.24Å
288	L	92.8	Very high	91.1	Very high	19 Å²	19	65.1 Å²	65.1	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-49.6	172.4	172.4	61.8	0	0	0	111	C275 F282 K284 S285 V290 H291 Q292	C275-L288 HydrophobicContact CB-CD1 3.59Å; F282-L288 HydrophobicContact CB-CB 4.45Å; F282-L288 HydrophobicContact CD2-CB 3.89Å; F282-L288 HydrophobicContact CD2-CD1 3.9Å; F282-L288 HydrophobicContact CE2-CD1 4.03Å; F282-L288 HydrophobicContact CG-CB 4.38Å; K284-L288 PolarHBondContact O-N 2.77Å; S285-L288 WeakPolarHBondContact O-CB 3.17Å; S285-L288 PolarHBondContact O-N 2.9Å; S285-L288 VanDerWaalsContact O-N 3.14Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 3.02Å; L288-H291 CarbonylContact O-C 3.53Å; L288-H291 WeakPolarHBondContact O-CA 3.37Å; L288-H291 WeakPolarHBondContact O-CB 3.26Å; L288-H291 PolarHBondContact O-N 3.23Å; L288-Q292 HydrophobicContact CD1-CG 4.02Å; L288-Q292 HydrophobicContact CG-CG 4.41Å; L288-Q292 WeakPolarHBondContact O-CG 3.24Å; L288-Q292 PolarHBondContact O-N 2.86Å
289	K	92.2	Very high	91	Very high	136 Å²	136	67.7 Å²	67.7	59%	0.591	36%	0.364	S	S	*	.	H	α-helix	trans	-56.6	-44.3	178.7	-75	-175.7	178	-174.3	0	112.5	S285 S286 H291 Q292	S285-K289 PolarHBondContact O-N 2.79Å; S286-K289 PolarHBondContact O-N 3.39Å; K289-H291 VanDerWaalsContact C-N 3.32Å; K289-Q292 PolarHBondContact O-N 3.32Å
290	V	89.9	Confident	90.7	Very high	33 Å²	33	69.5 Å²	69.5	20%	0.2	37%	0.37	C	S	.	.	H	α-helix	trans	-71.1	-31	177.5	179.3	0	0	0	0	111.7	S286 N287 L288 R293 K312	S286-V290 WeakPolarHBondContact O-CG2 3.44Å; S286-V290 PolarHBondContact O-N 2.85Å; S286-V290 VanDerWaalsContact O-N 3.1Å; N287-V290 PolarHBondContact O-N 3.21Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 3.02Å; V290-R293 WeakPolarHBondContact O-CB 3.45Å; V290-K312 HydrophobicContact CG1-CD 4.14Å; V290-K312 HydrophobicContact CG1-CG 3.72Å
291	H	91.5	Very high	90.4	Very high	18 Å²	18	64.5 Å²	64.5	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-40	174.7	168	67.6	0	0	0	112.4	C275 C278 F282 N287 L288 K289 R293 I294 H295	C275-H291 PolarHBondContact SG-NE2 3.3Å; C278-H291 PolarHBondContact SG-NE2 3.46Å; F282-H291 HydrophobicContact CE1-CB 4.04Å; F282-H291 HydrophobicContact CE2-CB 3.8Å; F282-H291 AromaticContact CE2-CD2 3.37Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.43Å; F282-H291 AromaticContact CE2-CG 3.57Å; F282-H291 HydrophobicContact CZ-CB 3.41Å; F282-H291 VanDerWaalsContact CZ-CB 3.41Å; F282-H291 AromaticContact CZ-CD2 3.48Å; F282-H291 VanDerWaalsContact CZ-CD2 3.48Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.4Å; F282-H291 AromaticContact CZ-CG 3.2Å; F282-H291 AromaticContact CZ-ND1 3.72Å; N287-H291 VanDerWaalsContact O-CB 3.25Å; N287-H291 WeakPolarHBondContact O-CB 3.22Å; N287-H291 PolarHBondContact O-N 3.24Å; L288-H291 CarbonylContact O-C 3.53Å; L288-H291 WeakPolarHBondContact O-CA 3.37Å; L288-H291 WeakPolarHBondContact O-CB 3.26Å; L288-H291 PolarHBondContact O-N 3.23Å; K289-H291 VanDerWaalsContact C-N 3.32Å; H291-R293 PolarHBondContact O-N 3.4Å; H291-R293 VanDerWaalsContact O-N 3.13Å; H291-I294 VanDerWaalsContact O-CB 3.28Å; H291-I294 WeakPolarHBondContact O-CB 3.3Å; H291-I294 WeakPolarHBondContact O-CG1 3.41Å; H291-I294 PolarHBondContact O-N 3.42Å; H291-H295 AromaticContact CE1-NE2 3.65Å; H291-H295 AromaticContact NE2-NE2 3.19Å; H291-H295 PolarHBondContact NE2-NE2 2.91Å; H291-H295 VanDerWaalsContact NE2-NE2 3.19Å
292	Q	90.8	Very high	90.2	Very high	72 Å²	72	68.6 Å²	68.6	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-57.8	-27.6	178.1	-74.6	174.2	-52	0	0	112.6	L288 K289 I294 H295 T296	L288-Q292 HydrophobicContact CD1-CG 4.02Å; L288-Q292 HydrophobicContact CG-CG 4.41Å; L288-Q292 WeakPolarHBondContact O-CG 3.24Å; L288-Q292 PolarHBondContact O-N 2.86Å; K289-Q292 PolarHBondContact O-N 3.32Å; Q292-I294 PolarHBondContact O-N 2.77Å; Q292-I294 VanDerWaalsContact O-N 3.14Å; Q292-H295 PolarHBondContact O-N 3.08Å; Q292-T296 PolarHBondContact O-N 3.4Å; Q292-T296 VanDerWaalsContact O-N 3.14Å
293	R	90.8	Very high	90	Very high	76 Å²	76	66.5 Å²	66.5	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-21.1	172.8	-64.9	-176	178.6	163.3	-0.1	114.6	V290 H291 H295 T296 G297 D298 T311	V290-R293 WeakPolarHBondContact O-CB 3.45Å; H291-R293 PolarHBondContact O-N 3.4Å; H291-R293 VanDerWaalsContact O-N 3.13Å; R293-H295 VanDerWaalsContact C-N 3.3Å; R293-T296 WeakPolarHBondContact CA-OG1 3.24Å; R293-G297 CarbonylContact O-C 3.45Å; R293-G297 WeakPolarHBondContact O-CA 3.48Å; R293-G297 PolarHBondContact O-N 3.28Å; R293-D298 HydrophobicContact CB-CB 4.36Å; R293-D298 WeakPolarHBondContact CB-O 3.43Å; R293-D298 HydrophobicContact CG-CB 4.19Å; R293-D298 IonicContact NE-OD2 2.73Å; R293-D298 PolarHBondContact O-N 2.85Å; R293-T311 HydrophobicContact CB-CG2 4.08Å; R293-T311 PolarHBondContact NH1-O 3.41Å
294	I	88.2	Confident	89.7	Confident	112 Å²	112	71.7 Å²	71.7	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-70.5	-33.1	174.7	-60.1	172.9	0	0	0	110.4	H291 Q292	H291-I294 VanDerWaalsContact O-CB 3.28Å; H291-I294 WeakPolarHBondContact O-CB 3.3Å; H291-I294 WeakPolarHBondContact O-CG1 3.41Å; H291-I294 PolarHBondContact O-N 3.42Å; Q292-I294 PolarHBondContact O-N 2.77Å; Q292-I294 VanDerWaalsContact O-N 3.14Å
295	H	90.2	Very high	89.4	Confident	76 Å²	76	72.9 Å²	72.9	35%	0.352	39%	0.39	S	S	.	.	H	α-helix	trans	-82.9	-39.7	180	-55	-50.5	0	0	0	111.7	C275 D277 H291 Q292 R293 G297	C275-H295 VanDerWaalsContact SG-CD2 3.57Å; C275-H295 PolarHBondContact SG-NE2 3.48Å; D277-H295 HydrophobicContact CB-CB 4.45Å; D277-H295 IonicContact OD2-CD2 2.83Å; D277-H295 PolarHBondContact OD2-CD2 3.32Å; D277-H295 VanDerWaalsContact OD2-CD2 3.22Å; D277-H295 IonicContact OD2-CG 3.1Å; H291-H295 AromaticContact CE1-NE2 3.65Å; H291-H295 AromaticContact NE2-NE2 3.19Å; H291-H295 PolarHBondContact NE2-NE2 2.91Å; H291-H295 VanDerWaalsContact NE2-NE2 3.19Å; Q292-H295 PolarHBondContact O-N 3.08Å; R293-H295 VanDerWaalsContact C-N 3.3Å; H295-G297 VanDerWaalsContact C-N 3.27Å; H295-G297 PolarHBondContact O-N 3.11Å
296	T	88	Confident	89.1	Confident	104 Å²	104	73.5 Å²	73.5	64%	0.638	39%	0.394	S	S	*	.	H	α-helix	trans	-78.8	-11.9	177.4	64.3	0	0	0	0	113.3	Q292 R293 D298	Q292-T296 PolarHBondContact O-N 3.4Å; Q292-T296 VanDerWaalsContact O-N 3.14Å; R293-T296 WeakPolarHBondContact CA-OG1 3.24Å; T296-D298 PolarHBondContact O-N 3.28Å; T296-D298 VanDerWaalsContact OG1-CB 3.26Å; T296-D298 WeakPolarHBondContact OG1-CB 3.35Å; T296-D298 PolarHBondContact OG1-N 3.28Å
297	G	84.8	Confident	88.7	Confident	48 Å²	48	71.8 Å²	71.8	50%	0.495	39%	0.387	S	S	.	.			trans	68.7	6.1	-170.9	0	0	0	0	0	114.3	R293 H295 K299	R293-G297 CarbonylContact O-C 3.45Å; R293-G297 WeakPolarHBondContact O-CA 3.48Å; R293-G297 PolarHBondContact O-N 3.28Å; H295-G297 VanDerWaalsContact C-N 3.27Å; H295-G297 PolarHBondContact O-N 3.11Å; G297-K299 PolarHBondContact O-N 3.37Å; G297-K299 VanDerWaalsContact O-N 3.16Å
298	D	88.1	Confident	88.4	Confident	70 Å²	70	73.3 Å²	73.3	37%	0.374	39%	0.392	S	S	.	.			trans	-64.6	113.2	-175.7	176.5	31.7	0	0	0	111.7	R293 T296 P300	R293-D298 HydrophobicContact CB-CB 4.36Å; R293-D298 WeakPolarHBondContact CB-O 3.43Å; R293-D298 HydrophobicContact CG-CB 4.19Å; R293-D298 IonicContact NE-OD2 2.73Å; R293-D298 PolarHBondContact O-N 2.85Å; T296-D298 PolarHBondContact O-N 3.28Å; T296-D298 VanDerWaalsContact OG1-CB 3.26Å; T296-D298 WeakPolarHBondContact OG1-CB 3.35Å; T296-D298 PolarHBondContact OG1-N 3.28Å; D298-P300 WeakPolarHBondContact O-CD 3.42Å; D298-P300 WeakPolarHBondContact OD1-CD 3.4Å
299	K	89.3	Confident	88.2	Confident	108 Å²	108	73.9 Å²	73.9	47%	0.47	40%	0.398	S	S	.	.			trans	-123.3	74.6	-179.8	-70.3	166.1	166.4	-167.6	0	109.5	G297 C301 S309 Y310 T311	G297-K299 PolarHBondContact O-N 3.37Å; G297-K299 VanDerWaalsContact O-N 3.16Å; K299-C301 PolarHBondContact O-N 3.29Å; K299-C301 VanDerWaalsContact O-N 3.1Å; K299-S309 VanDerWaalsContact CD-O 3.27Å; K299-S309 WeakPolarHBondContact CD-O 3.31Å; K299-Y310 CarbonylContact C-O 3.52Å; K299-T311 HydrophobicContact CG-CG2 4.19Å
300	P	86	Confident	87.9	Confident	72 Å²	72	70 Å²	70	47%	0.468	38%	0.379	S	S	.	.			trans	-70.4	-12.1	-170.8	28.2	-35	0	0	0	113.5	D298	D298-P300 WeakPolarHBondContact O-CD 3.42Å; D298-P300 WeakPolarHBondContact OD1-CD 3.4Å
301	C	87.8	Confident	87.8	Confident	22 Å²	22	70.2 Å²	70.2	15%	0.149	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	91.2	-179.6	-57.3	0	0	0	0	110.1	K299 S309 Y310 L316	K299-C301 PolarHBondContact O-N 3.29Å; K299-C301 VanDerWaalsContact O-N 3.1Å; C301-S309 CarbonylContact O-C 3.54Å; C301-S309 WeakPolarHBondContact O-CA 3.41Å; C301-Y310 WeakPolarHBondContact CB-O 3.33Å; C301-Y310 PolarHBondContact N-O 3.34Å; C301-Y310 PolarHBondContact O-N 3.01Å; C301-L316 HydrophobicContact CB-CB 4.01Å; C301-L316 HydrophobicContact CB-CD2 3.81Å
302	K	88.9	Confident	87.6	Confident	129 Å²	129	74.1 Å²	74.1	56%	0.561	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	139	177.3	-175.6	169.1	179.7	-176.5	0	111.7	S309 L316	K302-S309 WeakPolarHBondContact CG-OG 3.17Å; K302-L316 WeakPolarHBondContact O-CD2 3.43Å
303	C	88.9	Confident	87.4	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.406	C	S	.	.			trans	-81.4	128.6	168	178.3	0	0	0	0	109.7	D305 C306 G307 E308 L316 H319 H323	C303-D305 VanDerWaalsContact C-N 3.34Å; C303-D305 PolarHBondContact SG-N 3.1Å; C303-C306 VanDerWaalsContact SG-SG 3.66Å; C303-G307 WeakPolarHBondContact O-CA 3.33Å; C303-G307 PolarHBondContact O-N 3Å; C303-E308 WeakPolarHBondContact CB-O 3.3Å; C303-E308 PolarHBondContact N-O 2.88Å; C303-L316 HydrophobicContact CB-CD1 3.57Å; C303-H319 PolarHBondContact SG-NE2 3.19Å; C303-H319 VanDerWaalsContact SG-NE2 3.43Å; C303-H323 PolarHBondContact SG-NE2 3.31Å; C303-H323 VanDerWaalsContact SG-NE2 3.44Å
304	N	88	Confident	87.2	Confident	146 Å²	146	75.3 Å²	75.3	78%	0.781	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-31.3	178.8	-66.2	-6.9	0	0	0	112
305	D	84.4	Confident	87.1	Confident	106 Å²	106	72.3 Å²	72.3	57%	0.567	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-30.8	-172.5	-45.4	-56.7	0	0	0	113.4	C303 H323	C303-D305 VanDerWaalsContact C-N 3.34Å; C303-D305 PolarHBondContact SG-N 3.1Å; D305-H323 HydrophobicContact CB-CB 4.47Å; D305-H323 IonicContact OD2-CD2 3.42Å; D305-H323 PolarHBondContact OD2-CD2 3.48Å; D305-H323 IonicContact OD2-CG 3.22Å
306	C	86.3	Confident	87	Confident	58 Å²	58	69.2 Å²	69.2	39%	0.392	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	1.5	-177.6	69.8	0	0	0	0	114.9	C303 E308 H319 H323	C303-C306 VanDerWaalsContact SG-SG 3.66Å; C306-E308 PolarHBondContact O-N 3.19Å; C306-E308 VanDerWaalsContact O-N 3.09Å; C306-E308 VanDerWaalsContact SG-CB 3.6Å; C306-H319 PolarHBondContact SG-CE1 3.14Å; C306-H319 PolarHBondContact SG-NE2 2.85Å; C306-H323 PolarHBondContact SG-NE2 3.4Å; C306-H323 VanDerWaalsContact SG-NE2 3.37Å
307	G	83.7	Confident	86.9	Confident	33 Å²	33	70 Å²	70	34%	0.34	39%	0.387	S	S	.	.			trans	75	-10.7	-179.7	0	0	0	0	0	115.8	C303 S309	C303-G307 WeakPolarHBondContact O-CA 3.33Å; C303-G307 PolarHBondContact O-N 3Å; G307-S309 PolarHBondContact O-N 2.83Å; G307-S309 PolarHBondContact O-OG 2.89Å; G307-S309 VanDerWaalsContact O-OG 3.11Å
308	E	86.5	Confident	86.9	Confident	102 Å²	102	69.5 Å²	69.5	48%	0.477	37%	0.374	S	S	.	.			trans	-57.4	130.7	179.1	-77.9	-62.7	127.6	0	0	111.6	C303 C306 Y310	C303-E308 WeakPolarHBondContact CB-O 3.3Å; C303-E308 PolarHBondContact N-O 2.88Å; C306-E308 PolarHBondContact O-N 3.19Å; C306-E308 VanDerWaalsContact O-N 3.09Å; C306-E308 VanDerWaalsContact SG-CB 3.6Å; E308-Y310 HydrophobicContact CB-CE2 3.87Å
309	S	88.3	Confident	86.7	Confident	31 Å²	31	67 Å²	67	22%	0.217	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.1	-172.5	-59.7	0	0	0	0	111.5	K299 C301 K302 G307	K299-S309 VanDerWaalsContact CD-O 3.27Å; K299-S309 WeakPolarHBondContact CD-O 3.31Å; C301-S309 CarbonylContact O-C 3.54Å; C301-S309 WeakPolarHBondContact O-CA 3.41Å; K302-S309 WeakPolarHBondContact CG-OG 3.17Å; G307-S309 PolarHBondContact O-N 2.83Å; G307-S309 PolarHBondContact O-OG 2.89Å; G307-S309 VanDerWaalsContact O-OG 3.11Å
310	Y	86.3	Confident	86.4	Confident	53 Å²	53	65.1 Å²	65.1	21%	0.208	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149	-171.8	-63.1	-88.9	0	0	0	112	K299 C301 E308 K312 L316 H319	K299-Y310 CarbonylContact C-O 3.52Å; C301-Y310 WeakPolarHBondContact CB-O 3.33Å; C301-Y310 PolarHBondContact N-O 3.34Å; C301-Y310 PolarHBondContact O-N 3.01Å; E308-Y310 HydrophobicContact CB-CE2 3.87Å; Y310-K312 VanDerWaalsContact C-N 3.29Å; Y310-K312 PolarHBondContact O-N 3.05Å; Y310-L316 HydrophobicContact CD2-CB 3.98Å; Y310-L316 HydrophobicContact CD2-CD1 3.9Å; Y310-L316 HydrophobicContact CE2-CD1 4.18Å; Y310-L316 HydrophobicContact CG-CB 4.35Å; Y310-H319 HydrophobicContact CE1-CB 4.19Å; Y310-H319 HydrophobicContact CE2-CB 3.71Å; Y310-H319 AromaticContact CE2-CD2 3.65Å; Y310-H319 AromaticContact CE2-CG 3.56Å; Y310-H319 VanDerWaalsContact CZ-CB 3.48Å; Y310-H319 AromaticContact CZ-CG 3.45Å; Y310-H319 VanDerWaalsContact CZ-CG 3.45Å; Y310-H319 AromaticContact CZ-ND1 3.78Å; Y310-H319 WeakPolarHBondContact OH-CB 3.46Å; Y310-H319 PolarHBondContact OH-CE1 2.76Å; Y310-H319 PolarHBondContact OH-ND1 3.11Å
311	T	86.7	Confident	86.3	Confident	38 Å²	38	64 Å²	64	23%	0.233	34%	0.34	C	S	.	.	S	Bend	trans	-76.3	-16.5	176.7	59.7	0	0	0	0	113.4	R293 K299	R293-T311 HydrophobicContact CB-CG2 4.08Å; R293-T311 PolarHBondContact NH1-O 3.41Å; K299-T311 HydrophobicContact CG-CG2 4.19Å
312	K	86.8	Confident	85.9	Confident	100 Å²	100	67.7 Å²	67.7	44%	0.435	36%	0.358	S	S	.	.	S	Bend	trans	-134.6	139.3	-178.5	-66.4	178.2	-177.1	173.9	0	110.9	V290 Y310 S314 S315 L316	V290-K312 HydrophobicContact CG1-CD 4.14Å; V290-K312 HydrophobicContact CG1-CG 3.72Å; Y310-K312 VanDerWaalsContact C-N 3.29Å; Y310-K312 PolarHBondContact O-N 3.05Å; K312-S314 VanDerWaalsContact C-N 3.28Å; K312-S314 PolarHBondContact O-N 3.36Å; K312-S315 WeakPolarHBondContact O-CB 3.38Å; K312-S315 PolarHBondContact O-N 3.11Å; K312-S315 VanDerWaalsContact O-N 3.12Å; K312-L316 PolarHBondContact O-N 3.08Å
313	L	86.9	Confident	85.6	Confident	97 Å²	97	65.6 Å²	65.6	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-35.7	175.2	-177.5	62.4	0	0	0	112.8	S315 L316 K317	L313-S315 VanDerWaalsContact C-N 3.28Å; L313-S315 PolarHBondContact O-N 3.14Å; L313-L316 HydrophobicContact CD1-CD2 4.25Å; L313-L316 PolarHBondContact O-N 3.47Å; L313-K317 HydrophobicContact CG-CG 4.47Å; L313-K317 WeakPolarHBondContact O-CG 3.44Å; L313-K317 PolarHBondContact O-N 2.88Å
314	S	86.3	Confident	85.3	Confident	77 Å²	77	70.4 Å²	70.4	54%	0.538	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-34.4	177.5	53.3	0	0	0	0	112.6	K312 V318	K312-S314 VanDerWaalsContact C-N 3.28Å; K312-S314 PolarHBondContact O-N 3.36Å; S314-V318 WeakPolarHBondContact O-CG2 3.46Å; S314-V318 PolarHBondContact O-N 2.87Å; S314-V318 VanDerWaalsContact O-N 3.12Å
315	S	86.8	Confident	84.8	Confident	48 Å²	48	65.4 Å²	65.4	34%	0.336	36%	0.362	S	S	.	.	H	α-helix	trans	-68.2	-42.8	174.1	-60.9	0	0	0	0	111.1	K312 L313 V318 H319	K312-S315 WeakPolarHBondContact O-CB 3.38Å; K312-S315 PolarHBondContact O-N 3.11Å; K312-S315 VanDerWaalsContact O-N 3.12Å; L313-S315 VanDerWaalsContact C-N 3.28Å; L313-S315 PolarHBondContact O-N 3.14Å; S315-V318 PolarHBondContact O-N 3.34Å; S315-H319 WeakPolarHBondContact O-CB 3.41Å; S315-H319 PolarHBondContact O-N 3.26Å
316	L	87.6	Confident	84.6	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-48.5	173.4	174.4	61.5	0	0	0	111.7	C301 K302 C303 Y310 K312 L313 V318 H319 Q320	C301-L316 HydrophobicContact CB-CB 4.01Å; C301-L316 HydrophobicContact CB-CD2 3.81Å; K302-L316 WeakPolarHBondContact O-CD2 3.43Å; C303-L316 HydrophobicContact CB-CD1 3.57Å; Y310-L316 HydrophobicContact CD2-CB 3.98Å; Y310-L316 HydrophobicContact CD2-CD1 3.9Å; Y310-L316 HydrophobicContact CE2-CD1 4.18Å; Y310-L316 HydrophobicContact CG-CB 4.35Å; K312-L316 PolarHBondContact O-N 3.08Å; L313-L316 HydrophobicContact CD1-CD2 4.25Å; L313-L316 PolarHBondContact O-N 3.47Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 PolarHBondContact O-N 3.38Å; L316-H319 CarbonylContact O-C 3.36Å; L316-H319 WeakPolarHBondContact O-CA 3.3Å; L316-H319 WeakPolarHBondContact O-CB 3.39Å; L316-H319 PolarHBondContact O-N 3.27Å; L316-Q320 HydrophobicContact CD1-CG 4.08Å; L316-Q320 HydrophobicContact CG-CG 4.39Å; L316-Q320 WeakPolarHBondContact O-CG 3.35Å; L316-Q320 PolarHBondContact O-N 3.46Å
317	K	86.8	Confident	84.4	Confident	119 Å²	119	66 Å²	66	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-38.8	179.1	-74.6	-173.1	177.5	-167.9	0	112.9	L313	L313-K317 HydrophobicContact CG-CG 4.47Å; L313-K317 WeakPolarHBondContact O-CG 3.44Å; L313-K317 PolarHBondContact O-N 2.88Å
318	V	83.8	Confident	84.2	Confident	38 Å²	38	67.2 Å²	67.2	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-42.6	174	163.4	0	0	0	0	110.7	S314 S315 L316 R321 H340	S314-V318 WeakPolarHBondContact O-CG2 3.46Å; S314-V318 PolarHBondContact O-N 2.87Å; S314-V318 VanDerWaalsContact O-N 3.12Å; S315-V318 PolarHBondContact O-N 3.34Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 PolarHBondContact O-N 3.38Å; V318-R321 VanDerWaalsContact O-CB 3.32Å; V318-R321 WeakPolarHBondContact O-CB 3.48Å; V318-R321 PolarHBondContact O-N 3.09Å; V318-H340 WeakPolarHBondContact CG1-CE1 3.34Å; V318-H340 VanDerWaalsContact CG1-NE2 3.25Å; V318-H340 WeakPolarHBondContact CG1-NE2 3.43Å
319	H	84.7	Confident	83.9	Confident	18 Å²	18	66.1 Å²	66.1	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-39.3	178.1	165.8	78.8	0	0	0	112.3	C303 C306 Y310 S315 L316 R321 L322 H323	C303-H319 PolarHBondContact SG-NE2 3.19Å; C303-H319 VanDerWaalsContact SG-NE2 3.43Å; C306-H319 PolarHBondContact SG-CE1 3.14Å; C306-H319 PolarHBondContact SG-NE2 2.85Å; Y310-H319 HydrophobicContact CE1-CB 4.19Å; Y310-H319 HydrophobicContact CE2-CB 3.71Å; Y310-H319 AromaticContact CE2-CD2 3.65Å; Y310-H319 AromaticContact CE2-CG 3.56Å; Y310-H319 VanDerWaalsContact CZ-CB 3.48Å; Y310-H319 AromaticContact CZ-CG 3.45Å; Y310-H319 VanDerWaalsContact CZ-CG 3.45Å; Y310-H319 AromaticContact CZ-ND1 3.78Å; Y310-H319 WeakPolarHBondContact OH-CB 3.46Å; Y310-H319 PolarHBondContact OH-CE1 2.76Å; Y310-H319 PolarHBondContact OH-ND1 3.11Å; S315-H319 WeakPolarHBondContact O-CB 3.41Å; S315-H319 PolarHBondContact O-N 3.26Å; L316-H319 CarbonylContact O-C 3.36Å; L316-H319 WeakPolarHBondContact O-CA 3.3Å; L316-H319 WeakPolarHBondContact O-CB 3.39Å; L316-H319 PolarHBondContact O-N 3.27Å; H319-R321 PolarHBondContact O-N 2.75Å; H319-R321 VanDerWaalsContact O-N 3.12Å; H319-L322 WeakPolarHBondContact O-CA 3.46Å; H319-L322 WeakPolarHBondContact O-CB 2.88Å; H319-L322 VanDerWaalsContact O-CG 3.29Å; H319-L322 WeakPolarHBondContact O-CG 3.36Å; H319-L322 PolarHBondContact O-N 3.41Å; H319-H323 AromaticContact CD2-NE2 3.98Å; H319-H323 AromaticContact CE1-NE2 3.62Å; H319-H323 AromaticContact NE2-CD2 3.87Å; H319-H323 AromaticContact NE2-NE2 3.09Å; H319-H323 PolarHBondContact NE2-NE2 3.33Å
320	Q	83.5	Confident	83.5	Confident	68 Å²	68	71.5 Å²	71.5	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-25.4	176.5	-74	174.5	-45.8	0	0	112.8	L316 L322 H323 T324	L316-Q320 HydrophobicContact CD1-CG 4.08Å; L316-Q320 HydrophobicContact CG-CG 4.39Å; L316-Q320 WeakPolarHBondContact O-CG 3.35Å; L316-Q320 PolarHBondContact O-N 3.46Å; Q320-L322 PolarHBondContact O-N 2.82Å; Q320-H323 PolarHBondContact O-N 2.86Å; Q320-H323 VanDerWaalsContact O-N 3.1Å; Q320-T324 PolarHBondContact O-N 3.16Å; Q320-T324 VanDerWaalsContact O-N 3.09Å; Q320-T324 PolarHBondContact O-OG1 3.16Å
321	R	84	Confident	83.1	Confident	50 Å²	50	69.2 Å²	69.2	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-67.9	-9	170.5	-58.7	175.5	-175.6	157.9	1.9	113.7	V318 H319 G325 D326 K339	V318-R321 VanDerWaalsContact O-CB 3.32Å; V318-R321 WeakPolarHBondContact O-CB 3.48Å; V318-R321 PolarHBondContact O-N 3.09Å; H319-R321 PolarHBondContact O-N 2.75Å; H319-R321 VanDerWaalsContact O-N 3.12Å; R321-G325 PolarHBondContact O-N 3.1Å; R321-D326 HydrophobicContact CB-CB 4.43Å; R321-D326 WeakPolarHBondContact CB-O 3.44Å; R321-D326 HydrophobicContact CG-CB 4.26Å; R321-K339 HydrophobicContact CB-CD 4.4Å; R321-K339 PolarHBondContact NH1-O 3.05Å; R321-K339 WeakPolarHBondContact O-CE 3.32Å; R321-K339 PolarHBondContact O-NZ 3.03Å
322	L	79.1	Confident	82.5	Confident	99 Å²	99	75.2 Å²	75.2	52%	0.518	39%	0.393	S	S	.	.	H	α-helix	trans	-71.5	-45.2	167.6	-59.8	-175.6	0	0	0	110.5	H319 Q320 K339	H319-L322 WeakPolarHBondContact O-CA 3.46Å; H319-L322 WeakPolarHBondContact O-CB 2.88Å; H319-L322 VanDerWaalsContact O-CG 3.29Å; H319-L322 WeakPolarHBondContact O-CG 3.36Å; H319-L322 PolarHBondContact O-N 3.41Å; Q320-L322 PolarHBondContact O-N 2.82Å; L322-K339 HydrophobicContact CD2-CD 3.83Å
323	H	82.4	Confident	81.6	Confident	84 Å²	84	75.6 Å²	75.6	39%	0.389	40%	0.396	S	S	.	.	H	α-helix	trans	-74	-46.3	-178.9	-56.9	-49	0	0	0	112.3	C303 D305 C306 H319 Q320 G325	C303-H323 PolarHBondContact SG-NE2 3.31Å; C303-H323 VanDerWaalsContact SG-NE2 3.44Å; D305-H323 HydrophobicContact CB-CB 4.47Å; D305-H323 IonicContact OD2-CD2 3.42Å; D305-H323 PolarHBondContact OD2-CD2 3.48Å; D305-H323 IonicContact OD2-CG 3.22Å; C306-H323 PolarHBondContact SG-NE2 3.4Å; C306-H323 VanDerWaalsContact SG-NE2 3.37Å; H319-H323 AromaticContact CD2-NE2 3.98Å; H319-H323 AromaticContact CE1-NE2 3.62Å; H319-H323 AromaticContact NE2-CD2 3.87Å; H319-H323 AromaticContact NE2-NE2 3.09Å; H319-H323 PolarHBondContact NE2-NE2 3.33Å; Q320-H323 PolarHBondContact O-N 2.86Å; Q320-H323 VanDerWaalsContact O-N 3.1Å; H323-G325 PolarHBondContact O-N 2.77Å
324	T	82.8	Confident	80.7	Confident	101 Å²	101	78.6 Å²	78.6	62%	0.62	40%	0.402	S	S	*	.	S	Bend	trans	-76.6	-9.5	-178.6	63.4	0	0	0	0	113.6	Q320 D326	Q320-T324 PolarHBondContact O-N 3.16Å; Q320-T324 VanDerWaalsContact O-N 3.09Å; Q320-T324 PolarHBondContact O-OG1 3.16Å; T324-D326 PolarHBondContact O-N 3.41Å; T324-D326 VanDerWaalsContact OG1-CB 3.22Å; T324-D326 WeakPolarHBondContact OG1-CB 3.36Å; T324-D326 PolarHBondContact OG1-N 3.08Å
325	G	77.9	Confident	79.9	Confident	42 Å²	42	77.3 Å²	77.3	43%	0.433	40%	0.401	S	S	.	.			trans	65.8	2.7	-170.9	0	0	0	0	0	114.6	R321 H323 K327	R321-G325 PolarHBondContact O-N 3.1Å; H323-G325 PolarHBondContact O-N 2.77Å; G325-K327 PolarHBondContact O-N 2.82Å
326	D	80	Confident	79.6	Confident	73 Å²	73	81.1 Å²	81.1	39%	0.39	41%	0.411	S	S	.	.			trans	-60	128	-173.6	178.5	27.1	0	0	0	111.9	R321 T324 P328	R321-D326 HydrophobicContact CB-CB 4.43Å; R321-D326 WeakPolarHBondContact CB-O 3.44Å; R321-D326 HydrophobicContact CG-CB 4.26Å; T324-D326 PolarHBondContact O-N 3.41Å; T324-D326 VanDerWaalsContact OG1-CB 3.22Å; T324-D326 WeakPolarHBondContact OG1-CB 3.36Å; T324-D326 PolarHBondContact OG1-N 3.08Å; D326-P328 WeakPolarHBondContact OD1-CD 3.26Å; D326-P328 WeakPolarHBondContact OD1-CG 3.42Å; D326-P328 VanDerWaalsContact OD2-CG 3.25Å; D326-P328 WeakPolarHBondContact OD2-CG 3.25Å
327	K	81.7	Confident	79.2	Confident	102 Å²	102	82.3 Å²	82.3	44%	0.443	42%	0.42	S	S	.	.			trans	-130.1	74.9	179.8	-70.9	164.7	179.6	177.7	0	108.8	G325 Y329 S337 F338 K339	G325-K327 PolarHBondContact O-N 2.82Å; K327-Y329 PolarHBondContact O-N 3.01Å; K327-Y329 VanDerWaalsContact O-N 3.12Å; K327-S337 VanDerWaalsContact CB-CB 3.48Å; K327-S337 WeakPolarHBondContact CD-O 3.38Å; K327-F338 CarbonylContact C-O 3.48Å; K327-F338 WeakPolarHBondContact CA-O 3.34Å; K327-K339 HydrophobicContact CG-CG 3.95Å
328	P	79.6	Confident	78.9	Confident	59 Å²	59	78.9 Å²	78.9	38%	0.383	41%	0.405	S	S	.	.			trans	-63.4	-24.9	-172	-23.6	33.4	0	0	0	114	D326 K330	D326-P328 WeakPolarHBondContact OD1-CD 3.26Å; D326-P328 WeakPolarHBondContact OD1-CG 3.42Å; D326-P328 VanDerWaalsContact OD2-CG 3.25Å; D326-P328 WeakPolarHBondContact OD2-CG 3.25Å; P328-K330 PolarHBondContact O-N 3.43Å
329	Y	80	Confident	78.6	Confident	80 Å²	80	79.6 Å²	79.6	31%	0.314	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	101.7	-172.5	-53.3	-77.2	0	0	0	109.7	K327 S337 F338 H340 L341 V344	K327-Y329 PolarHBondContact O-N 3.01Å; K327-Y329 VanDerWaalsContact O-N 3.12Å; Y329-S337 CarbonylContact O-C 3.34Å; Y329-S337 WeakPolarHBondContact O-CA 3.43Å; Y329-F338 PolarHBondContact N-O 3.24Å; Y329-F338 PolarHBondContact O-N 3.34Å; Y329-H340 VanDerWaalsContact CD2-C 3.46Å; Y329-L341 HydrophobicContact CD1-CB 3.93Å; Y329-L341 HydrophobicContact CD1-CD1 3.82Å; Y329-L341 HydrophobicContact CD1-CG 4.44Å; Y329-L341 HydrophobicContact CE1-CB 3.77Å; Y329-L341 HydrophobicContact CE1-CD1 4.17Å; Y329-L341 HydrophobicContact CE1-CG 4.41Å; Y329-L341 HydrophobicContact CE2-CB 4.36Å; Y329-L341 HydrophobicContact CG-CB 4.3Å; Y329-V344 HydrophobicContact CG-CG2 4.46Å; Y329-V344 WeakPolarHBondContact O-CG2 3.49Å
330	K	79	Confident	78.5	Confident	143 Å²	143	82.5 Å²	82.5	62%	0.622	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	143.3	179.1	-51.4	-165.2	176.2	176.7	0	110.9	P328 S337	P328-K330 PolarHBondContact O-N 3.43Å; K330-S337 WeakPolarHBondContact CG-OG 3.32Å
331	C	78.7	Confident	78.4	Confident	6 Å²	6	83.2 Å²	83.2	4%	0.041	43%	0.425	C	S	.	.			trans	-85.7	123.1	165.1	-173.9	0	0	0	0	108.4	E333 G335 K336	C331-E333 VanDerWaalsContact C-N 3.3Å; C331-E333 PolarHBondContact O-N 3.22Å; C331-G335 WeakPolarHBondContact O-CA 3.35Å; C331-G335 PolarHBondContact O-N 3.04Å; C331-K336 WeakPolarHBondContact CB-O 3.1Å; C331-K336 PolarHBondContact N-O 3.25Å
332	N	74.7	Confident	78.3	Confident	164 Å²	164	84 Å²	84	88%	0.877	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.2	-176.2	-68.4	0.4	0	0	0	112.7
333	E	67.6	Low	78.6	Confident	107 Å²	107	81.3 Å²	81.3	50%	0.5	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-30.4	-172.4	-67.2	171.3	169	0	0	113.6	C331 H348 H351	C331-E333 VanDerWaalsContact C-N 3.3Å; C331-E333 PolarHBondContact O-N 3.22Å; E333-H348 IonicContact OE1-CE1 3.3Å; E333-H348 IonicContact OE2-ND1 3.89Å; E333-H351 WeakPolarHBondContact OE2-CB 3.14Å; E333-H351 IonicContact OE2-CD2 4Å; E333-H351 PolarHBondContact OE2-CD2 3.46Å; E333-H351 IonicContact OE2-CG 3.93Å
334	Y	67.3	Low	78.6	Confident	161 Å²	161	78.2 Å²	78.2	63%	0.631	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	11	-174.2	-63.6	-87.6	0	0	0	114.1	K336 H351	Y334-K336 PolarHBondContact O-N 3.36Å; Y334-H351 AromaticContact CD2-CE1 3Å; Y334-H351 WeakPolarHBondContact CD2-CE1 3.44Å; Y334-H351 AromaticContact CD2-ND1 3.58Å; Y334-H351 AromaticContact CD2-NE2 3.35Å; Y334-H351 VanDerWaalsContact CD2-NE2 3.35Å; Y334-H351 WeakPolarHBondContact CD2-NE2 3.41Å; Y334-H351 AromaticContact CE2-CE1 3.14Å; Y334-H351 WeakPolarHBondContact CE2-CE1 3.41Å; Y334-H351 AromaticContact CE2-CG 3.83Å; Y334-H351 AromaticContact CE2-ND1 3.18Å; Y334-H351 WeakPolarHBondContact CE2-ND1 3.3Å; Y334-H351 AromaticContact CE2-NE2 3.79Å; Y334-H351 AromaticContact CG-CE1 3.97Å
335	G	70.1	Confident	78.7	Confident	50 Å²	50	79.1 Å²	79.1	52%	0.515	41%	0.409	S	S	.	.			trans	66	-5.6	178.5	0	0	0	0	0	115.9	C331 S337	C331-G335 WeakPolarHBondContact O-CA 3.35Å; C331-G335 PolarHBondContact O-N 3.04Å; G335-S337 PolarHBondContact O-N 2.79Å; G335-S337 PolarHBondContact O-OG 3.42Å
336	K	79.4	Confident	79	Confident	128 Å²	128	79.2 Å²	79.2	56%	0.557	40%	0.4	S	S	*	.			trans	-60.3	124.1	-179.3	-78.8	-174.7	179.6	175.2	0	110.4	C331 Y334 F338	C331-K336 WeakPolarHBondContact CB-O 3.1Å; C331-K336 PolarHBondContact N-O 3.25Å; Y334-K336 PolarHBondContact O-N 3.36Å; K336-F338 HydrophobicContact CB-CE2 3.79Å; K336-F338 HydrophobicContact CB-CZ 4.17Å; K336-F338 WeakPolarHBondContact O-CD2 3.35Å; K336-F338 WeakPolarHBondContact O-CE2 3.39Å
337	S	80.4	Confident	79.2	Confident	37 Å²	37	76.7 Å²	76.7	26%	0.259	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.5	-175.7	-56.4	0	0	0	0	110.7	K327 Y329 K330 G335	K327-S337 VanDerWaalsContact CB-CB 3.48Å; K327-S337 WeakPolarHBondContact CD-O 3.38Å; Y329-S337 CarbonylContact O-C 3.34Å; Y329-S337 WeakPolarHBondContact O-CA 3.43Å; K330-S337 WeakPolarHBondContact CG-OG 3.32Å; G335-S337 PolarHBondContact O-N 2.79Å; G335-S337 PolarHBondContact O-OG 3.42Å
338	F	79.9	Confident	79.2	Confident	46 Å²	46	75.8 Å²	75.8	20%	0.202	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153	-173.8	-60	-99.9	0	0	0	111.6	K327 Y329 K336 V344 H347	K327-F338 CarbonylContact C-O 3.48Å; K327-F338 WeakPolarHBondContact CA-O 3.34Å; Y329-F338 PolarHBondContact N-O 3.24Å; Y329-F338 PolarHBondContact O-N 3.34Å; K336-F338 HydrophobicContact CB-CE2 3.79Å; K336-F338 HydrophobicContact CB-CZ 4.17Å; K336-F338 WeakPolarHBondContact O-CD2 3.35Å; K336-F338 WeakPolarHBondContact O-CE2 3.39Å; F338-V344 HydrophobicContact CB-CG2 3.69Å; F338-V344 HydrophobicContact CD2-CB 4.4Å; F338-V344 HydrophobicContact CD2-CG2 3.55Å; F338-V344 HydrophobicContact CE2-CG2 4.43Å; F338-V344 HydrophobicContact CG-CG2 3.86Å; F338-H347 HydrophobicContact CE1-CB 4.14Å; F338-H347 HydrophobicContact CE2-CB 4Å; F338-H347 AromaticContact CE2-CD2 3.42Å; F338-H347 VanDerWaalsContact CE2-CD2 3.42Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.48Å; F338-H347 AromaticContact CE2-CG 3.82Å; F338-H347 HydrophobicContact CZ-CB 3.5Å; F338-H347 AromaticContact CZ-CD2 3.44Å; F338-H347 VanDerWaalsContact CZ-CD2 3.44Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.41Å; F338-H347 AromaticContact CZ-CG 3.37Å; F338-H347 AromaticContact CZ-ND1 3.97Å
339	K	79	Confident	79.4	Confident	53 Å²	53	75.6 Å²	75.6	23%	0.23	37%	0.374	C	S	.	.	S	Bend	trans	-80.1	-19.9	179.8	-54.3	-171.1	-177.4	-164.8	0	113.3	R321 L322 K327	R321-K339 HydrophobicContact CB-CD 4.4Å; R321-K339 PolarHBondContact NH1-O 3.05Å; R321-K339 WeakPolarHBondContact O-CE 3.32Å; R321-K339 PolarHBondContact O-NZ 3.03Å; L322-K339 HydrophobicContact CD2-CD 3.83Å; K327-K339 HydrophobicContact CG-CG 3.95Å
340	H	81.1	Confident	79.4	Confident	80 Å²	80	77 Å²	77	37%	0.37	39%	0.387	S	S	.	.	S	Bend	trans	-128.4	138.6	-179.5	-67.6	-96.6	0	0	0	111.6	V318 Y329 S342 S343 V344	V318-H340 WeakPolarHBondContact CG1-CE1 3.34Å; V318-H340 VanDerWaalsContact CG1-NE2 3.25Å; V318-H340 WeakPolarHBondContact CG1-NE2 3.43Å; Y329-H340 VanDerWaalsContact CD2-C 3.46Å; H340-S342 PolarHBondContact O-N 3Å; H340-S343 WeakPolarHBondContact O-CB 3.47Å; H340-S343 PolarHBondContact O-N 3.4Å; H340-V344 PolarHBondContact O-N 3.05Å
341	L	81.2	Confident	79.5	Confident	83 Å²	83	73 Å²	73	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-59.3	-35.5	173.3	-177.5	61.1	0	0	0	112.6	Y329 S343 V344 K345	Y329-L341 HydrophobicContact CD1-CB 3.93Å; Y329-L341 HydrophobicContact CD1-CD1 3.82Å; Y329-L341 HydrophobicContact CD1-CG 4.44Å; Y329-L341 HydrophobicContact CE1-CB 3.77Å; Y329-L341 HydrophobicContact CE1-CD1 4.17Å; Y329-L341 HydrophobicContact CE1-CG 4.41Å; Y329-L341 HydrophobicContact CE2-CB 4.36Å; Y329-L341 HydrophobicContact CG-CB 4.3Å; L341-S343 PolarHBondContact O-N 2.81Å; L341-V344 PolarHBondContact O-N 3.16Å; L341-K345 HydrophobicContact CG-CD 4.45Å; L341-K345 WeakPolarHBondContact O-CG 3.45Å; L341-K345 PolarHBondContact O-N 2.91Å
342	S	83	Confident	79.7	Confident	67 Å²	67	76.4 Å²	76.4	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-34.3	176.3	52.2	0	0	0	0	112.3	H340 K345 I346	H340-S342 PolarHBondContact O-N 3Å; S342-K345 PolarHBondContact O-N 3.35Å; S342-I346 WeakPolarHBondContact O-CB 3.33Å; S342-I346 WeakPolarHBondContact O-CD1 3.23Å; S342-I346 VanDerWaalsContact O-CG1 3.23Å; S342-I346 WeakPolarHBondContact O-CG1 3.14Å; S342-I346 PolarHBondContact O-N 3.25Å
343	S	84.3	Confident	80.1	Confident	42 Å²	42	70.9 Å²	70.9	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-70.1	-40.6	178.4	-56	0	0	0	0	111.4	H340 L341 I346 H347	H340-S343 WeakPolarHBondContact O-CB 3.47Å; H340-S343 PolarHBondContact O-N 3.4Å; L341-S343 PolarHBondContact O-N 2.81Å; S343-I346 PolarHBondContact O-N 2.9Å; S343-H347 VanDerWaalsContact O-CB 3.28Å; S343-H347 WeakPolarHBondContact O-CB 3.45Å; S343-H347 PolarHBondContact O-N 3.33Å
344	V	83.2	Confident	81	Confident	18 Å²	18	72.4 Å²	72.4	11%	0.109	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-46.8	172.1	-174	0	0	0	0	111	Y329 F338 H340 L341 I346 H347 H348	Y329-V344 HydrophobicContact CG-CG2 4.46Å; Y329-V344 WeakPolarHBondContact O-CG2 3.49Å; F338-V344 HydrophobicContact CB-CG2 3.69Å; F338-V344 HydrophobicContact CD2-CB 4.4Å; F338-V344 HydrophobicContact CD2-CG2 3.55Å; F338-V344 HydrophobicContact CE2-CG2 4.43Å; F338-V344 HydrophobicContact CG-CG2 3.86Å; H340-V344 PolarHBondContact O-N 3.05Å; L341-V344 PolarHBondContact O-N 3.16Å; V344-I346 VanDerWaalsContact C-N 3.28Å; V344-I346 PolarHBondContact O-N 3.22Å; V344-H347 WeakPolarHBondContact O-CB 3.46Å; V344-H347 PolarHBondContact O-N 3.09Å; V344-H347 VanDerWaalsContact O-N 3.1Å; V344-H348 WeakPolarHBondContact O-CB 3.45Å; V344-H348 PolarHBondContact O-N 3.3Å
345	K	85.4	Confident	82	Confident	120 Å²	120	70.3 Å²	70.3	52%	0.522	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-38.5	178.8	-73.2	-177.5	177.6	-173.3	0	112.6	L341 S342 R349	L341-K345 HydrophobicContact CG-CD 4.45Å; L341-K345 WeakPolarHBondContact O-CG 3.45Å; L341-K345 PolarHBondContact O-N 2.91Å; S342-K345 PolarHBondContact O-N 3.35Å; K345-R349 WeakPolarHBondContact O-CG 3.35Å; K345-R349 PolarHBondContact O-N 3.37Å
346	I	83.7	Confident	82.8	Confident	45 Å²	45	70.2 Å²	70.2	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-71.4	-40.6	175.7	-71.2	165.3	0	0	0	110.7	S342 S343 V344 R349 K368	S342-I346 WeakPolarHBondContact O-CB 3.33Å; S342-I346 WeakPolarHBondContact O-CD1 3.23Å; S342-I346 VanDerWaalsContact O-CG1 3.23Å; S342-I346 WeakPolarHBondContact O-CG1 3.14Å; S342-I346 PolarHBondContact O-N 3.25Å; S343-I346 PolarHBondContact O-N 2.9Å; V344-I346 VanDerWaalsContact C-N 3.28Å; V344-I346 PolarHBondContact O-N 3.22Å; I346-R349 WeakPolarHBondContact O-CB 3.4Å; I346-R349 PolarHBondContact O-N 3.26Å; I346-K368 HydrophobicContact CD1-CG 4.35Å; I346-K368 HydrophobicContact CG2-CD 4.36Å; I346-K368 HydrophobicContact CG2-CG 4.14Å
347	H	83.9	Confident	83.3	Confident	20 Å²	20	68 Å²	68	9%	0.093	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-43.3	177.6	176.4	56.4	0	0	0	111.8	F338 S343 V344 R349 L350 H351	F338-H347 HydrophobicContact CE1-CB 4.14Å; F338-H347 HydrophobicContact CE2-CB 4Å; F338-H347 AromaticContact CE2-CD2 3.42Å; F338-H347 VanDerWaalsContact CE2-CD2 3.42Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.48Å; F338-H347 AromaticContact CE2-CG 3.82Å; F338-H347 HydrophobicContact CZ-CB 3.5Å; F338-H347 AromaticContact CZ-CD2 3.44Å; F338-H347 VanDerWaalsContact CZ-CD2 3.44Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.41Å; F338-H347 AromaticContact CZ-CG 3.37Å; F338-H347 AromaticContact CZ-ND1 3.97Å; S343-H347 VanDerWaalsContact O-CB 3.28Å; S343-H347 WeakPolarHBondContact O-CB 3.45Å; S343-H347 PolarHBondContact O-N 3.33Å; V344-H347 WeakPolarHBondContact O-CB 3.46Å; V344-H347 PolarHBondContact O-N 3.09Å; V344-H347 VanDerWaalsContact O-N 3.1Å; H347-R349 PolarHBondContact O-N 3.42Å; H347-L350 WeakPolarHBondContact O-CA 3.37Å; H347-L350 WeakPolarHBondContact O-CB 3.17Å; H347-L350 PolarHBondContact O-N 3.46Å; H347-H351 AromaticContact CD2-NE2 3.52Å; H347-H351 AromaticContact CE1-CE1 3.53Å; H347-H351 AromaticContact CE1-NE2 3.34Å; H347-H351 PolarHBondContact CE1-NE2 3.33Å; H347-H351 VanDerWaalsContact CE1-NE2 3.34Å; H347-H351 AromaticContact ND1-NE2 3.97Å; H347-H351 AromaticContact NE2-CE1 3.67Å; H347-H351 AromaticContact NE2-NE2 3.08Å; H347-H351 PolarHBondContact NE2-NE2 3.31Å
348	H	81.9	Confident	83.8	Confident	83 Å²	83	72.4 Å²	72.4	38%	0.384	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-27.1	176.8	-175.5	65.2	0	0	0	113.3	E333 V344 L350 H351 T352	E333-H348 IonicContact OE1-CE1 3.3Å; E333-H348 IonicContact OE2-ND1 3.89Å; V344-H348 WeakPolarHBondContact O-CB 3.45Å; V344-H348 PolarHBondContact O-N 3.3Å; H348-L350 PolarHBondContact O-N 3.17Å; H348-H351 PolarHBondContact O-N 3.06Å; H348-T352 PolarHBondContact O-N 3.12Å; H348-T352 VanDerWaalsContact O-N 3.12Å; H348-T352 PolarHBondContact O-OG1 3.08Å; H348-T352 VanDerWaalsContact O-OG1 3.08Å
349	R	84.5	Confident	84.4	Confident	55 Å²	55	70.2 Å²	70.2	21%	0.208	35%	0.352	C	S	.	.	H	α-helix	trans	-66.5	-21.6	169.9	-69.1	175.1	-159	157.3	5.3	113.6	K345 I346 H347 T352 G353 Y354 T367	K345-R349 WeakPolarHBondContact O-CG 3.35Å; K345-R349 PolarHBondContact O-N 3.37Å; I346-R349 WeakPolarHBondContact O-CB 3.4Å; I346-R349 PolarHBondContact O-N 3.26Å; H347-R349 PolarHBondContact O-N 3.42Å; R349-T352 WeakPolarHBondContact CA-OG1 3.25Å; R349-G353 CarbonylContact O-C 3.49Å; R349-G353 WeakPolarHBondContact O-CA 3.38Å; R349-G353 PolarHBondContact O-N 3.46Å; R349-Y354 WeakPolarHBondContact CB-O 3.37Å; R349-Y354 HydrophobicContact CG-CD1 4.16Å; R349-Y354 PolarHBondContact O-N 3.32Å; R349-Y354 VanDerWaalsContact O-N 3.12Å; R349-T367 HydrophobicContact CB-CG2 4.41Å; R349-T367 PolarHBondContact NH1-O 2.74Å
350	L	79.4	Confident	84.8	Confident	109 Å²	109	75 Å²	75	57%	0.571	38%	0.381	S	S	*	.	H	α-helix	trans	-75	-34.8	173.9	-56.5	172.3	0	0	0	110.8	H347 H348 T367	H347-L350 WeakPolarHBondContact O-CA 3.37Å; H347-L350 WeakPolarHBondContact O-CB 3.17Å; H347-L350 PolarHBondContact O-N 3.46Å; H348-L350 PolarHBondContact O-N 3.17Å; L350-T367 HydrophobicContact CD2-CG2 4.21Å
351	H	80.8	Confident	85.1	Confident	59 Å²	59	77 Å²	77	27%	0.273	39%	0.39	S	S	.	.	H	α-helix	trans	-69.3	-48	175.7	-57.6	-45.4	0	0	0	111.7	E333 Y334 H347 H348 G353	E333-H351 WeakPolarHBondContact OE2-CB 3.14Å; E333-H351 IonicContact OE2-CD2 4Å; E333-H351 PolarHBondContact OE2-CD2 3.46Å; E333-H351 IonicContact OE2-CG 3.93Å; Y334-H351 AromaticContact CD2-CE1 3Å; Y334-H351 WeakPolarHBondContact CD2-CE1 3.44Å; Y334-H351 AromaticContact CD2-ND1 3.58Å; Y334-H351 AromaticContact CD2-NE2 3.35Å; Y334-H351 VanDerWaalsContact CD2-NE2 3.35Å; Y334-H351 WeakPolarHBondContact CD2-NE2 3.41Å; Y334-H351 AromaticContact CE2-CE1 3.14Å; Y334-H351 WeakPolarHBondContact CE2-CE1 3.41Å; Y334-H351 AromaticContact CE2-CG 3.83Å; Y334-H351 AromaticContact CE2-ND1 3.18Å; Y334-H351 WeakPolarHBondContact CE2-ND1 3.3Å; Y334-H351 AromaticContact CE2-NE2 3.79Å; Y334-H351 AromaticContact CG-CE1 3.97Å; H347-H351 AromaticContact CD2-NE2 3.52Å; H347-H351 AromaticContact CE1-CE1 3.53Å; H347-H351 AromaticContact CE1-NE2 3.34Å; H347-H351 PolarHBondContact CE1-NE2 3.33Å; H347-H351 VanDerWaalsContact CE1-NE2 3.34Å; H347-H351 AromaticContact ND1-NE2 3.97Å; H347-H351 AromaticContact NE2-CE1 3.67Å; H347-H351 AromaticContact NE2-NE2 3.08Å; H347-H351 PolarHBondContact NE2-NE2 3.31Å; H348-H351 PolarHBondContact O-N 3.06Å; H351-G353 PolarHBondContact O-N 2.96Å
352	T	83.5	Confident	85.5	Confident	78 Å²	78	75.7 Å²	75.7	48%	0.479	39%	0.387	S	S	.	.	S	Bend	trans	-77.1	-7.6	-179.4	54.2	0	0	0	0	113.7	H348 R349 Y354	H348-T352 PolarHBondContact O-N 3.12Å; H348-T352 VanDerWaalsContact O-N 3.12Å; H348-T352 PolarHBondContact O-OG1 3.08Å; H348-T352 VanDerWaalsContact O-OG1 3.08Å; R349-T352 WeakPolarHBondContact CA-OG1 3.25Å; T352-Y354 PolarHBondContact O-N 3.25Å; T352-Y354 WeakPolarHBondContact OG1-CB 3.1Å; T352-Y354 PolarHBondContact OG1-N 3.19Å
353	G	81.9	Confident	85.7	Confident	47 Å²	47	74 Å²	74	49%	0.485	38%	0.381	S	S	.	.			trans	63.6	6.4	-169.7	0	0	0	0	0	114.3	R349 H351 K355	R349-G353 CarbonylContact O-C 3.49Å; R349-G353 WeakPolarHBondContact O-CA 3.38Å; R349-G353 PolarHBondContact O-N 3.46Å; H351-G353 PolarHBondContact O-N 2.96Å; G353-K355 PolarHBondContact O-N 3.24Å
354	Y	86.6	Confident	86.1	Confident	140 Å²	140	78.2 Å²	78.2	55%	0.549	39%	0.394	S	S	.	.			trans	-68	117.2	-172.6	-178.2	-124.1	0	0	0	112.2	R349 T352 P356	R349-Y354 WeakPolarHBondContact CB-O 3.37Å; R349-Y354 HydrophobicContact CG-CD1 4.16Å; R349-Y354 PolarHBondContact O-N 3.32Å; R349-Y354 VanDerWaalsContact O-N 3.12Å; T352-Y354 PolarHBondContact O-N 3.25Å; T352-Y354 WeakPolarHBondContact OG1-CB 3.1Å; T352-Y354 PolarHBondContact OG1-N 3.19Å; Y354-P356 HydrophobicContact CD1-CB 4.48Å; Y354-P356 HydrophobicContact CD1-CG 4.15Å; Y354-P356 HydrophobicContact CE1-CB 3.7Å; Y354-P356 HydrophobicContact CE1-CG 3.75Å; Y354-P356 HydrophobicContact CE2-CB 4.41Å; Y354-P356 VanDerWaalsContact O-CD 3.29Å; Y354-P356 WeakPolarHBondContact O-CD 3.43Å
355	K	89.3	Confident	86.5	Confident	117 Å²	117	79.4 Å²	79.4	51%	0.509	40%	0.403	S	S	.	.			trans	-119.1	81.1	-178	-70.2	168	-180	-176.9	0	110.5	G353 Y357 S365 F366 T367	G353-K355 PolarHBondContact O-N 3.24Å; K355-Y357 PolarHBondContact O-N 2.99Å; K355-S365 WeakPolarHBondContact CD-O 3.42Å; K355-S365 WeakPolarHBondContact O-CB 3.35Å; K355-F366 CarbonylContact C-O 3.58Å; K355-F366 WeakPolarHBondContact CA-O 3.43Å; K355-T367 HydrophobicContact CG-CG2 3.78Å
356	P	86	Confident	86.7	Confident	47 Å²	47	75.6 Å²	75.6	31%	0.305	39%	0.387	S	S	.	.			trans	-67.7	-17.6	-172.9	21.1	-29.9	0	0	0	114.8	Y354	Y354-P356 HydrophobicContact CD1-CB 4.48Å; Y354-P356 HydrophobicContact CD1-CG 4.15Å; Y354-P356 HydrophobicContact CE1-CB 3.7Å; Y354-P356 HydrophobicContact CE1-CG 3.75Å; Y354-P356 HydrophobicContact CE2-CB 4.41Å; Y354-P356 VanDerWaalsContact O-CD 3.29Å; Y354-P356 WeakPolarHBondContact O-CD 3.43Å
357	Y	90.5	Very high	86.8	Confident	81 Å²	81	74.4 Å²	74.4	32%	0.318	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	93.4	-173.5	-59.2	-77.2	0	0	0	110.1	K355 S365 F366 S369	K355-Y357 PolarHBondContact O-N 2.99Å; Y357-S365 CarbonylContact O-C 3.5Å; Y357-S365 VanDerWaalsContact O-CA 3.32Å; Y357-S365 WeakPolarHBondContact O-CA 3.33Å; Y357-F366 WeakPolarHBondContact CB-O 3.48Å; Y357-F366 WeakPolarHBondContact CD2-O 3.49Å; Y357-F366 PolarHBondContact N-O 2.93Å; Y357-F366 VanDerWaalsContact N-O 3.15Å; Y357-F366 PolarHBondContact O-N 2.74Å; Y357-S369 VanDerWaalsContact CD2-N 3.31Å
358	K	90.7	Very high	87	Confident	130 Å²	130	77.4 Å²	77.4	57%	0.565	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.9	178.6	-171.3	175.3	178.2	-175.7	0	111.3
359	C	91.8	Very high	87.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.391	C	S	.	.			trans	-77.9	128	167	178.1	0	0	0	0	109.1	E361 G363 K364 L372	C359-E361 VanDerWaalsContact C-N 3.35Å; C359-E361 PolarHBondContact SG-N 3.35Å; C359-E361 VanDerWaalsContact SG-N 3.45Å; C359-G363 WeakPolarHBondContact O-CA 3.49Å; C359-G363 PolarHBondContact O-N 3.29Å; C359-K364 WeakPolarHBondContact CB-O 3.37Å; C359-K364 PolarHBondContact N-O 3.46Å; C359-L372 HydrophobicContact CB-CD1 3.66Å
360	N	89.2	Confident	87.3	Confident	155 Å²	155	76 Å²	76	83%	0.829	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.8	179.6	-66.6	-8.2	0	0	0	112.5
361	E	86.6	Confident	87.7	Confident	121 Å²	121	74.3 Å²	74.3	57%	0.565	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-41.3	-175.4	-64.6	164.4	144.8	0	0	112.4	C359 H376 H379	C359-E361 VanDerWaalsContact C-N 3.35Å; C359-E361 PolarHBondContact SG-N 3.35Å; C359-E361 VanDerWaalsContact SG-N 3.45Å; E361-H376 IonicContact OE2-CE1 3.29Å; E361-H376 IonicContact OE2-ND1 3.37Å; E361-H376 PolarHBondContact OE2-ND1 3.06Å; E361-H379 WeakPolarHBondContact OE2-CB 3.46Å; E361-H379 IonicContact OE2-CD2 3.08Å; E361-H379 PolarHBondContact OE2-CD2 3.22Å; E361-H379 IonicContact OE2-CG 2.97Å; E361-H379 IonicContact OE2-ND1 3.28Å; E361-H379 IonicContact OE2-NE2 3.19Å
362	C	89.9	Confident	88.1	Confident	55 Å²	55	72.5 Å²	72.5	37%	0.372	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	3.7	-178.4	71.8	0	0	0	0	114.8	K364 H375 H379	C362-K364 PolarHBondContact O-N 2.84Å; C362-K364 VanDerWaalsContact SG-CG 3.59Å; C362-H375 VanDerWaalsContact SG-CE1 3.52Å; C362-H375 PolarHBondContact SG-NE2 3.26Å; C362-H379 PolarHBondContact SG-NE2 3.45Å
363	G	87.7	Confident	88.3	Confident	33 Å²	33	75.3 Å²	75.3	34%	0.34	39%	0.391	S	S	.	.			trans	72.3	-5.3	179.1	0	0	0	0	0	115.7	C359 S365	C359-G363 WeakPolarHBondContact O-CA 3.49Å; C359-G363 PolarHBondContact O-N 3.29Å; G363-S365 PolarHBondContact O-N 3.38Å
364	K	91.4	Very high	88.5	Confident	129 Å²	129	74.6 Å²	74.6	56%	0.561	38%	0.378	S	S	*	.			trans	-63.7	131.7	-179.6	-71.6	-178.4	-177.3	178.3	0	111.3	C359 C362 F366	C359-K364 WeakPolarHBondContact CB-O 3.37Å; C359-K364 PolarHBondContact N-O 3.46Å; C362-K364 PolarHBondContact O-N 2.84Å; C362-K364 VanDerWaalsContact SG-CG 3.59Å; K364-F366 HydrophobicContact CB-CE2 4Å; K364-F366 HydrophobicContact CB-CZ 4.06Å; K364-F366 WeakPolarHBondContact O-CE2 3.28Å
365	S	91.3	Very high	88.5	Confident	44 Å²	44	68.8 Å²	68.8	31%	0.308	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.6	-179.6	-59.8	0	0	0	0	112.6	K355 Y357 G363	K355-S365 WeakPolarHBondContact CD-O 3.42Å; K355-S365 WeakPolarHBondContact O-CB 3.35Å; Y357-S365 CarbonylContact O-C 3.5Å; Y357-S365 VanDerWaalsContact O-CA 3.32Å; Y357-S365 WeakPolarHBondContact O-CA 3.33Å; G363-S365 PolarHBondContact O-N 3.38Å
366	F	89.5	Confident	88.3	Confident	40 Å²	40	66 Å²	66	18%	0.175	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.8	-176.3	-57.2	-89.3	0	0	0	111.7	K355 Y357 K364 N371 L372 H375	K355-F366 CarbonylContact C-O 3.58Å; K355-F366 WeakPolarHBondContact CA-O 3.43Å; Y357-F366 WeakPolarHBondContact CB-O 3.48Å; Y357-F366 WeakPolarHBondContact CD2-O 3.49Å; Y357-F366 PolarHBondContact N-O 2.93Å; Y357-F366 VanDerWaalsContact N-O 3.15Å; Y357-F366 PolarHBondContact O-N 2.74Å; K364-F366 HydrophobicContact CB-CE2 4Å; K364-F366 HydrophobicContact CB-CZ 4.06Å; K364-F366 WeakPolarHBondContact O-CE2 3.28Å; F366-N371 HydrophobicContact CB-CB 4.11Å; F366-N371 HydrophobicContact CD1-CB 3.78Å; F366-N371 HydrophobicContact CG-CB 4.16Å; F366-L372 HydrophobicContact CB-CB 4.43Å; F366-L372 HydrophobicContact CD2-CB 3.84Å; F366-L372 HydrophobicContact CD2-CD1 3.76Å; F366-L372 HydrophobicContact CD2-CG 4.41Å; F366-L372 HydrophobicContact CE2-CD1 3.85Å; F366-L372 HydrophobicContact CG-CB 4.33Å; F366-H375 HydrophobicContact CE1-CB 4.06Å; F366-H375 HydrophobicContact CE2-CB 3.85Å; F366-H375 AromaticContact CE2-CD2 3.41Å; F366-H375 VanDerWaalsContact CE2-CD2 3.41Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.49Å; F366-H375 AromaticContact CE2-CG 3.63Å; F366-H375 HydrophobicContact CZ-CB 3.43Å; F366-H375 VanDerWaalsContact CZ-CB 3.43Å; F366-H375 AromaticContact CZ-CD2 3.52Å; F366-H375 AromaticContact CZ-CG 3.25Å; F366-H375 AromaticContact CZ-ND1 3.76Å
367	T	86.8	Confident	88.3	Confident	19 Å²	19	66.3 Å²	66.3	12%	0.117	34%	0.339	C	S	.	.	S	Bend	trans	-78.9	-20.8	177.4	57.1	0	0	0	0	113.2	R349 L350 K355	R349-T367 HydrophobicContact CB-CG2 4.41Å; R349-T367 PolarHBondContact NH1-O 2.74Å; L350-T367 HydrophobicContact CD2-CG2 4.21Å; K355-T367 HydrophobicContact CG-CG2 3.78Å
368	K	86.8	Confident	87.9	Confident	84 Å²	84	67.9 Å²	67.9	37%	0.365	35%	0.352	S	S	.	.	S	Bend	trans	-128.8	138	-179.2	-62.8	177	-178.7	173.5	0	110.8	I346 S370 N371 L372	I346-K368 HydrophobicContact CD1-CG 4.35Å; I346-K368 HydrophobicContact CG2-CD 4.36Å; I346-K368 HydrophobicContact CG2-CG 4.14Å; K368-S370 PolarHBondContact O-N 3.48Å; K368-N371 PolarHBondContact O-N 3.45Å; K368-N371 VanDerWaalsContact O-N 3.13Å; K368-L372 PolarHBondContact O-N 3.24Å
369	S	87	Confident	87.7	Confident	45 Å²	45	65.4 Å²	65.4	32%	0.315	34%	0.343	S	S	.	.	H	α-helix	trans	-59.2	-34.2	173.1	178	0	0	0	0	112.6	Y357 N371 L372 K373	Y357-S369 VanDerWaalsContact CD2-N 3.31Å; S369-N371 VanDerWaalsContact C-N 3.28Å; S369-N371 PolarHBondContact O-N 2.88Å; S369-L372 PolarHBondContact O-N 3.43Å; S369-K373 WeakPolarHBondContact O-CG 3.45Å; S369-K373 PolarHBondContact O-N 2.9Å
370	S	86.1	Confident	87.3	Confident	63 Å²	63	69.9 Å²	69.9	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-39.1	176.4	55.2	0	0	0	0	112.4	K368 K373 V374	K368-S370 PolarHBondContact O-N 3.48Å; S370-K373 PolarHBondContact O-N 3.36Å; S370-V374 WeakPolarHBondContact O-CG2 3.35Å; S370-V374 PolarHBondContact O-N 3.46Å
371	N	88.7	Confident	86.8	Confident	73 Å²	73	64.7 Å²	64.7	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-70.8	-39	179.7	-66.3	19.6	0	0	0	110.5	F366 K368 S369 V374 H375	F366-N371 HydrophobicContact CB-CB 4.11Å; F366-N371 HydrophobicContact CD1-CB 3.78Å; F366-N371 HydrophobicContact CG-CB 4.16Å; K368-N371 PolarHBondContact O-N 3.45Å; K368-N371 VanDerWaalsContact O-N 3.13Å; S369-N371 VanDerWaalsContact C-N 3.28Å; S369-N371 PolarHBondContact O-N 2.88Å; N371-V374 PolarHBondContact O-N 2.89Å; N371-H375 VanDerWaalsContact O-CB 3.23Å; N371-H375 WeakPolarHBondContact O-CB 3.47Å; N371-H375 PolarHBondContact O-N 3.35Å
372	L	88.8	Confident	86.5	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-45.2	171.6	177	61.8	0	0	0	111.4	C359 F366 K368 S369 V374 H375 H376	C359-L372 HydrophobicContact CB-CD1 3.66Å; F366-L372 HydrophobicContact CB-CB 4.43Å; F366-L372 HydrophobicContact CD2-CB 3.84Å; F366-L372 HydrophobicContact CD2-CD1 3.76Å; F366-L372 HydrophobicContact CD2-CG 4.41Å; F366-L372 HydrophobicContact CE2-CD1 3.85Å; F366-L372 HydrophobicContact CG-CB 4.33Å; K368-L372 PolarHBondContact O-N 3.24Å; S369-L372 PolarHBondContact O-N 3.43Å; L372-V374 VanDerWaalsContact C-N 3.35Å; L372-V374 PolarHBondContact O-N 3.28Å; L372-H375 WeakPolarHBondContact O-CB 3.48Å; L372-H375 PolarHBondContact O-N 3.39Å; L372-H376 WeakPolarHBondContact CD1-NE2 3.49Å; L372-H376 PolarHBondContact O-CD2 3.33Å; L372-H376 PolarHBondContact O-N 2.89Å
373	K	87.2	Confident	86.1	Confident	137 Å²	137	64.6 Å²	64.6	60%	0.596	35%	0.347	S	S	*	.	H	α-helix	trans	-61.3	-40.9	177.1	-73.8	-177	-177.7	-173.8	0	113	S369 S370 H375	S369-K373 WeakPolarHBondContact O-CG 3.45Å; S369-K373 PolarHBondContact O-N 2.9Å; S370-K373 PolarHBondContact O-N 3.36Å; K373-H375 VanDerWaalsContact C-N 3.34Å
374	V	85.7	Confident	85.9	Confident	33 Å²	33	71.2 Å²	71.2	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-41.1	175.5	169	0	0	0	0	110.4	S370 N371 L372 R377 Q396	S370-V374 WeakPolarHBondContact O-CG2 3.35Å; S370-V374 PolarHBondContact O-N 3.46Å; N371-V374 PolarHBondContact O-N 2.89Å; L372-V374 VanDerWaalsContact C-N 3.35Å; L372-V374 PolarHBondContact O-N 3.28Å; V374-R377 WeakPolarHBondContact O-CB 3.44Å; V374-R377 PolarHBondContact O-N 2.97Å; V374-R377 VanDerWaalsContact O-N 3.17Å; V374-Q396 HydrophobicContact CG1-CG 3.66Å
375	H	87.2	Confident	85.6	Confident	17 Å²	17	68.6 Å²	68.6	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-40.9	176.8	169.8	66.7	0	0	0	112.7	C362 F366 N371 L372 K373 R377 L378 H379	C362-H375 VanDerWaalsContact SG-CE1 3.52Å; C362-H375 PolarHBondContact SG-NE2 3.26Å; F366-H375 HydrophobicContact CE1-CB 4.06Å; F366-H375 HydrophobicContact CE2-CB 3.85Å; F366-H375 AromaticContact CE2-CD2 3.41Å; F366-H375 VanDerWaalsContact CE2-CD2 3.41Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.49Å; F366-H375 AromaticContact CE2-CG 3.63Å; F366-H375 HydrophobicContact CZ-CB 3.43Å; F366-H375 VanDerWaalsContact CZ-CB 3.43Å; F366-H375 AromaticContact CZ-CD2 3.52Å; F366-H375 AromaticContact CZ-CG 3.25Å; F366-H375 AromaticContact CZ-ND1 3.76Å; N371-H375 VanDerWaalsContact O-CB 3.23Å; N371-H375 WeakPolarHBondContact O-CB 3.47Å; N371-H375 PolarHBondContact O-N 3.35Å; L372-H375 WeakPolarHBondContact O-CB 3.48Å; L372-H375 PolarHBondContact O-N 3.39Å; K373-H375 VanDerWaalsContact C-N 3.34Å; H375-R377 PolarHBondContact O-N 3.42Å; H375-R377 VanDerWaalsContact O-N 3.13Å; H375-L378 VanDerWaalsContact O-CB 3.24Å; H375-L378 WeakPolarHBondContact O-CB 3.46Å; H375-L378 WeakPolarHBondContact O-CG 3.4Å; H375-L378 PolarHBondContact O-N 3.36Å; H375-H379 AromaticContact CE1-NE2 3.59Å; H375-H379 AromaticContact NE2-CD2 3.9Å; H375-H379 AromaticContact NE2-NE2 3.34Å; H375-H379 PolarHBondContact NE2-NE2 3.14Å
376	H	86	Confident	85.5	Confident	60 Å²	60	72.7 Å²	72.7	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-26.5	174.6	-80.6	-65.7	0	0	0	113.5	E361 L372 L378 H379 T380	E361-H376 IonicContact OE2-CE1 3.29Å; E361-H376 IonicContact OE2-ND1 3.37Å; E361-H376 PolarHBondContact OE2-ND1 3.06Å; L372-H376 WeakPolarHBondContact CD1-NE2 3.49Å; L372-H376 PolarHBondContact O-CD2 3.33Å; L372-H376 PolarHBondContact O-N 2.89Å; H376-L378 PolarHBondContact O-N 3.34Å; H376-H379 PolarHBondContact O-N 3.49Å; H376-T380 PolarHBondContact O-N 3.15Å; H376-T380 PolarHBondContact O-OG1 2.94Å
377	R	85.5	Confident	85.5	Confident	53 Å²	53	70.8 Å²	70.8	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-21.2	174.8	-56.8	179.2	-164.5	157.1	1.5	113.1	V374 H375 H379 G381 D382 T395	V374-R377 WeakPolarHBondContact O-CB 3.44Å; V374-R377 PolarHBondContact O-N 2.97Å; V374-R377 VanDerWaalsContact O-N 3.17Å; H375-R377 PolarHBondContact O-N 3.42Å; H375-R377 VanDerWaalsContact O-N 3.13Å; R377-H379 VanDerWaalsContact C-N 3.33Å; R377-G381 WeakPolarHBondContact O-CA 3.48Å; R377-G381 PolarHBondContact O-N 3.46Å; R377-D382 HydrophobicContact CB-CB 4.37Å; R377-D382 HydrophobicContact CG-CB 4.43Å; R377-D382 PolarHBondContact O-N 3.01Å; R377-T395 HydrophobicContact CB-CG2 4.49Å; R377-T395 WeakPolarHBondContact CD-O 3.46Å; R377-T395 PolarHBondContact NH1-O 3.01Å
378	L	81.6	Confident	85.5	Confident	113 Å²	113	77 Å²	77	59%	0.592	39%	0.385	S	S	*	.	H	α-helix	trans	-71.5	-32.7	173.2	-58.1	176.2	0	0	0	111.2	H375 H376	H375-L378 VanDerWaalsContact O-CB 3.24Å; H375-L378 WeakPolarHBondContact O-CB 3.46Å; H375-L378 WeakPolarHBondContact O-CG 3.4Å; H375-L378 PolarHBondContact O-N 3.36Å; H376-L378 PolarHBondContact O-N 3.34Å
379	H	85.7	Confident	85.5	Confident	79 Å²	79	79 Å²	79	37%	0.366	40%	0.396	S	S	.	.	H	α-helix	trans	-76.9	-43.3	175.5	-67.4	-62	0	0	0	111.7	E361 C362 H375 H376 R377 G381	E361-H379 WeakPolarHBondContact OE2-CB 3.46Å; E361-H379 IonicContact OE2-CD2 3.08Å; E361-H379 PolarHBondContact OE2-CD2 3.22Å; E361-H379 IonicContact OE2-CG 2.97Å; E361-H379 IonicContact OE2-ND1 3.28Å; E361-H379 IonicContact OE2-NE2 3.19Å; C362-H379 PolarHBondContact SG-NE2 3.45Å; H375-H379 AromaticContact CE1-NE2 3.59Å; H375-H379 AromaticContact NE2-CD2 3.9Å; H375-H379 AromaticContact NE2-NE2 3.34Å; H375-H379 PolarHBondContact NE2-NE2 3.14Å; H376-H379 PolarHBondContact O-N 3.49Å; R377-H379 VanDerWaalsContact C-N 3.33Å; H379-G381 VanDerWaalsContact C-N 3.31Å; H379-G381 PolarHBondContact O-N 2.86Å
380	T	84.6	Confident	85.5	Confident	94 Å²	94	79.4 Å²	79.4	58%	0.577	40%	0.398	S	S	*	.	H	α-helix	trans	-80.4	-10.3	-179.4	65.9	0	0	0	0	114.1	H376 D382	H376-T380 PolarHBondContact O-N 3.15Å; H376-T380 PolarHBondContact O-OG1 2.94Å; T380-D382 PolarHBondContact O-N 3.02Å; T380-D382 VanDerWaalsContact OG1-CB 3.28Å; T380-D382 WeakPolarHBondContact OG1-CB 3.43Å; T380-D382 PolarHBondContact OG1-N 2.78Å
381	G	77.9	Confident	85.5	Confident	46 Å²	46	77.8 Å²	77.8	47%	0.474	39%	0.392	S	S	.	.			trans	65.8	14.2	-172.8	0	0	0	0	0	114.5	R377 H379 K383	R377-G381 WeakPolarHBondContact O-CA 3.48Å; R377-G381 PolarHBondContact O-N 3.46Å; H379-G381 VanDerWaalsContact C-N 3.31Å; H379-G381 PolarHBondContact O-N 2.86Å; G381-K383 PolarHBondContact O-N 2.94Å
382	D	81.1	Confident	85.5	Confident	46 Å²	46	80.4 Å²	80.4	25%	0.246	40%	0.399	C	S	.	.			trans	-68.1	97.6	-173.8	-176.8	6.4	0	0	0	111.8	R377 T380 R384	R377-D382 HydrophobicContact CB-CB 4.37Å; R377-D382 HydrophobicContact CG-CB 4.43Å; R377-D382 PolarHBondContact O-N 3.01Å; T380-D382 PolarHBondContact O-N 3.02Å; T380-D382 VanDerWaalsContact OG1-CB 3.28Å; T380-D382 WeakPolarHBondContact OG1-CB 3.43Å; T380-D382 PolarHBondContact OG1-N 2.78Å; D382-R384 WeakPolarHBondContact OD1-CG 3.49Å; D382-R384 IonicContact OD1-NE 3.91Å; D382-R384 PolarHBondContact OD1-NE 2.78Å; D382-R384 IonicContact OD2-CZ 3.55Å; D382-R384 VanDerWaalsContact OD2-CZ 3.22Å; D382-R384 IonicContact OD2-NE 3.08Å; D382-R384 PolarHBondContact OD2-NE 2.7Å; D382-R384 IonicContact OD2-NH2 3.83Å; D382-R384 PolarHBondContact OD2-NH2 3.11Å
383	K	82.3	Confident	85.4	Confident	128 Å²	128	81.5 Å²	81.5	56%	0.557	41%	0.409	S	S	*	.			trans	-102.1	71.8	-179.7	-70.8	170.9	175.5	-178.4	0	111.4	G381 Y385 S393 F394 T395	G381-K383 PolarHBondContact O-N 2.94Å; K383-Y385 VanDerWaalsContact C-N 3.29Å; K383-Y385 PolarHBondContact O-N 3.41Å; K383-S393 WeakPolarHBondContact CD-O 3.47Å; K383-S393 WeakPolarHBondContact O-CB 3.47Å; K383-F394 CarbonylContact C-O 3.53Å; K383-F394 WeakPolarHBondContact CA-O 3.42Å; K383-T395 HydrophobicContact CG-CG2 3.92Å
384	R	83.3	Confident	85.3	Confident	171 Å²	171	77 Å²	77	65%	0.645	39%	0.389	S	S	*	.			trans	-66.4	-23.4	-176.8	-58	-169	-174.3	-163.3	-5.1	115.7	D382 F394	D382-R384 WeakPolarHBondContact OD1-CG 3.49Å; D382-R384 IonicContact OD1-NE 3.91Å; D382-R384 PolarHBondContact OD1-NE 2.78Å; D382-R384 IonicContact OD2-CZ 3.55Å; D382-R384 VanDerWaalsContact OD2-CZ 3.22Å; D382-R384 IonicContact OD2-NE 3.08Å; D382-R384 PolarHBondContact OD2-NE 2.7Å; D382-R384 IonicContact OD2-NH2 3.83Å; D382-R384 PolarHBondContact OD2-NH2 3.11Å; R384-F394 PolarHBondContact N-O 2.85Å
385	Y	85.3	Confident	85.2	Confident	74 Å²	74	76.2 Å²	76.2	29%	0.29	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	97	-168.9	-57.7	-70.9	0	0	0	110.3	K383 S393 F394 Q396 V397	K383-Y385 VanDerWaalsContact C-N 3.29Å; K383-Y385 PolarHBondContact O-N 3.41Å; Y385-S393 CarbonylContact O-C 3.28Å; Y385-S393 WeakPolarHBondContact O-CA 3.4Å; Y385-F394 WeakPolarHBondContact CD2-O 3.5Å; Y385-F394 PolarHBondContact N-O 3.39Å; Y385-F394 PolarHBondContact O-N 3.36Å; Y385-Q396 VanDerWaalsContact CD2-C 3.41Å; Y385-V397 HydrophobicContact CD1-CG2 3.37Å; Y385-V397 HydrophobicContact CD2-CG2 4.24Å; Y385-V397 HydrophobicContact CE1-CB 4.46Å; Y385-V397 HydrophobicContact CE1-CG2 3.12Å; Y385-V397 HydrophobicContact CE2-CG2 4.02Å; Y385-V397 HydrophobicContact CG-CG2 3.92Å; Y385-V397 VanDerWaalsContact CZ-CG2 3.46Å
386	K	88	Confident	85.1	Confident	130 Å²	130	77.9 Å²	77.9	57%	0.565	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.7	179.8	-171.3	173.9	178.3	-175.7	0	111	G391	K386-G391 WeakPolarHBondContact CG-O 3.38Å
387	C	89.6	Confident	85	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.397	C	S	.	.			trans	-73.4	127.4	166.9	174.6	0	0	0	0	109	E389 G391 K392 F394 L400	C387-E389 VanDerWaalsContact C-N 3.35Å; C387-G391 WeakPolarHBondContact O-CA 3.11Å; C387-G391 PolarHBondContact O-N 2.98Å; C387-K392 WeakPolarHBondContact CB-O 3.38Å; C387-K392 PolarHBondContact N-O 2.77Å; C387-F394 HydrophobicContact CB-CE2 4.35Å; C387-L400 HydrophobicContact CB-CD1 3.59Å
388	N	87.2	Confident	85	Confident	151 Å²	151	78.1 Å²	78.1	81%	0.807	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-32.3	-179.5	-67.7	-9.2	0	0	0	112.2
389	E	85.7	Confident	85.2	Confident	124 Å²	124	78.7 Å²	78.7	58%	0.579	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-38.5	-174.9	-67.7	161.6	151.2	0	0	112.9	C387 H407	C387-E389 VanDerWaalsContact C-N 3.35Å; E389-H407 WeakPolarHBondContact OE2-CB 3.31Å; E389-H407 IonicContact OE2-CD2 2.92Å; E389-H407 PolarHBondContact OE2-CD2 3.46Å; E389-H407 IonicContact OE2-CG 3.09Å; E389-H407 IonicContact OE2-NE2 3.91Å
390	C	88.5	Confident	85.3	Confident	54 Å²	54	75.9 Å²	75.9	37%	0.365	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	1.3	-177.2	75.8	0	0	0	0	115.1	K392 H403	C390-K392 PolarHBondContact O-N 2.99Å; C390-K392 VanDerWaalsContact SG-CG 3.58Å; C390-H403 PolarHBondContact SG-NE2 2.96Å
391	G	85.4	Confident	85.4	Confident	30 Å²	30	77.8 Å²	77.8	31%	0.309	39%	0.39	S	S	.	.			trans	71.9	-5.8	179.4	0	0	0	0	0	116.2	K386 C387 S393	K386-G391 WeakPolarHBondContact CG-O 3.38Å; C387-G391 WeakPolarHBondContact O-CA 3.11Å; C387-G391 PolarHBondContact O-N 2.98Å; G391-S393 PolarHBondContact O-N 2.91Å; G391-S393 PolarHBondContact O-OG 3.4Å
392	K	88.2	Confident	85.8	Confident	127 Å²	127	80 Å²	80	55%	0.552	39%	0.394	S	S	*	.			trans	-59.2	131.7	177.7	-74.1	179	-178.4	175	0	110.5	C387 C390 F394	C387-K392 WeakPolarHBondContact CB-O 3.38Å; C387-K392 PolarHBondContact N-O 2.77Å; C390-K392 PolarHBondContact O-N 2.99Å; C390-K392 VanDerWaalsContact SG-CG 3.58Å; K392-F394 HydrophobicContact CB-CE2 3.82Å; K392-F394 HydrophobicContact CB-CZ 3.92Å; K392-F394 WeakPolarHBondContact O-CE2 3.29Å
393	S	87.7	Confident	86	Confident	45 Å²	45	78.6 Å²	78.6	32%	0.315	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.6	-176.7	-59.8	0	0	0	0	111.6	K383 Y385 G391	K383-S393 WeakPolarHBondContact CD-O 3.47Å; K383-S393 WeakPolarHBondContact O-CB 3.47Å; Y385-S393 CarbonylContact O-C 3.28Å; Y385-S393 WeakPolarHBondContact O-CA 3.4Å; G391-S393 PolarHBondContact O-N 2.91Å; G391-S393 PolarHBondContact O-OG 3.4Å
394	F	85.8	Confident	86.1	Confident	41 Å²	41	75.7 Å²	75.7	18%	0.18	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.1	-172.1	-59.5	-88.7	0	0	0	111.3	K383 R384 Y385 C387 K392 Q396 L400 H403	K383-F394 CarbonylContact C-O 3.53Å; K383-F394 WeakPolarHBondContact CA-O 3.42Å; R384-F394 PolarHBondContact N-O 2.85Å; Y385-F394 WeakPolarHBondContact CD2-O 3.5Å; Y385-F394 PolarHBondContact N-O 3.39Å; Y385-F394 PolarHBondContact O-N 3.36Å; C387-F394 HydrophobicContact CB-CE2 4.35Å; K392-F394 HydrophobicContact CB-CE2 3.82Å; K392-F394 HydrophobicContact CB-CZ 3.92Å; K392-F394 WeakPolarHBondContact O-CE2 3.29Å; F394-Q396 VanDerWaalsContact C-N 3.35Å; F394-L400 HydrophobicContact CB-CB 4.32Å; F394-L400 HydrophobicContact CD2-CB 3.86Å; F394-L400 HydrophobicContact CD2-CD1 3.79Å; F394-L400 HydrophobicContact CD2-CG 4.43Å; F394-L400 HydrophobicContact CE2-CD1 3.91Å; F394-L400 HydrophobicContact CG-CB 4.25Å; F394-H403 HydrophobicContact CE1-CB 3.93Å; F394-H403 HydrophobicContact CE2-CB 3.9Å; F394-H403 AromaticContact CE2-CD2 3.46Å; F394-H403 VanDerWaalsContact CE2-CD2 3.46Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.36Å; F394-H403 AromaticContact CE2-CG 3.69Å; F394-H403 HydrophobicContact CZ-CB 3.39Å; F394-H403 AromaticContact CZ-CD2 3.48Å; F394-H403 VanDerWaalsContact CZ-CD2 3.48Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.41Å; F394-H403 AromaticContact CZ-CG 3.23Å; F394-H403 AromaticContact CZ-ND1 3.84Å
395	T	83.4	Confident	86.1	Confident	18 Å²	18	73.2 Å²	73.2	11%	0.11	37%	0.365	C	S	.	.	S	Bend	trans	-78.9	-18.8	179	57.2	0	0	0	0	113.1	R377 K383	R377-T395 HydrophobicContact CB-CG2 4.49Å; R377-T395 WeakPolarHBondContact CD-O 3.46Å; R377-T395 PolarHBondContact NH1-O 3.01Å; K383-T395 HydrophobicContact CG-CG2 3.92Å
396	Q	83.5	Confident	86	Confident	51 Å²	51	75.7 Å²	75.7	24%	0.238	38%	0.382	C	S	.	.	S	Bend	trans	-137.5	144.1	-180	-59.1	-174.4	54.3	0	0	111.4	V374 Y385 F394 S398 Y399 L400	V374-Q396 HydrophobicContact CG1-CG 3.66Å; Y385-Q396 VanDerWaalsContact CD2-C 3.41Å; F394-Q396 VanDerWaalsContact C-N 3.35Å; Q396-S398 PolarHBondContact O-N 3.25Å; Q396-Y399 HydrophobicContact CB-CD2 3.78Å; Q396-Y399 HydrophobicContact CB-CE2 4.12Å; Q396-Y399 HydrophobicContact CB-CG 4.36Å; Q396-Y399 HydrophobicContact CG-CD2 4.12Å; Q396-Y399 HydrophobicContact CG-CE2 3.99Å; Q396-Y399 VanDerWaalsContact NE2-CE2 3.29Å; Q396-Y399 PolarHBondContact NE2-OH 3.23Å; Q396-Y399 PolarHBondContact O-N 3.49Å; Q396-L400 PolarHBondContact O-N 2.7Å
397	V	85.3	Confident	85.8	Confident	61 Å²	61	73.2 Å²	73.2	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-56.8	-37.4	173.6	166.8	0	0	0	0	112	Y385 Y399 L400 K401	Y385-V397 HydrophobicContact CD1-CG2 3.37Å; Y385-V397 HydrophobicContact CD2-CG2 4.24Å; Y385-V397 HydrophobicContact CE1-CB 4.46Å; Y385-V397 HydrophobicContact CE1-CG2 3.12Å; Y385-V397 HydrophobicContact CE2-CG2 4.02Å; Y385-V397 HydrophobicContact CG-CG2 3.92Å; Y385-V397 VanDerWaalsContact CZ-CG2 3.46Å; V397-Y399 VanDerWaalsContact C-N 3.32Å; V397-Y399 PolarHBondContact O-N 2.97Å; V397-L400 WeakPolarHBondContact O-CB 3.21Å; V397-L400 PolarHBondContact O-N 3.15Å; V397-K401 HydrophobicContact CG1-CD 4.12Å; V397-K401 HydrophobicContact CG1-CG 4.14Å; V397-K401 WeakPolarHBondContact O-CG 3.44Å; V397-K401 PolarHBondContact O-N 2.76Å
398	S	85.2	Confident	85.3	Confident	58 Å²	58	77.1 Å²	77.1	41%	0.406	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-43.8	180	45.4	0	0	0	0	111.8	Q396 K401 V402	Q396-S398 PolarHBondContact O-N 3.25Å; S398-K401 PolarHBondContact O-N 2.8Å; S398-V402 WeakPolarHBondContact O-CG2 3.19Å; S398-V402 PolarHBondContact O-N 3.46Å
399	Y	86.4	Confident	84.6	Confident	125 Å²	125	73 Å²	73	49%	0.49	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-38.3	176.7	-58.8	-37.1	0	0	0	112.3	Q396 V397 V402 H403	Q396-Y399 HydrophobicContact CB-CD2 3.78Å; Q396-Y399 HydrophobicContact CB-CE2 4.12Å; Q396-Y399 HydrophobicContact CB-CG 4.36Å; Q396-Y399 HydrophobicContact CG-CD2 4.12Å; Q396-Y399 HydrophobicContact CG-CE2 3.99Å; Q396-Y399 VanDerWaalsContact NE2-CE2 3.29Å; Q396-Y399 PolarHBondContact NE2-OH 3.23Å; Q396-Y399 PolarHBondContact O-N 3.49Å; V397-Y399 VanDerWaalsContact C-N 3.32Å; V397-Y399 PolarHBondContact O-N 2.97Å; Y399-V402 PolarHBondContact O-N 3.17Å; Y399-H403 VanDerWaalsContact O-CB 3.29Å; Y399-H403 WeakPolarHBondContact O-CB 3.37Å; Y399-H403 PolarHBondContact O-N 3.05Å
400	L	86.9	Confident	83.6	Confident	20 Å²	20	72 Å²	72	11%	0.105	39%	0.388	C	S	.	.	H	α-helix	trans	-60.4	-46.1	171.9	173.1	61.6	0	0	0	111.2	C387 F394 Q396 V397 V402 H403 Q404	C387-L400 HydrophobicContact CB-CD1 3.59Å; F394-L400 HydrophobicContact CB-CB 4.32Å; F394-L400 HydrophobicContact CD2-CB 3.86Å; F394-L400 HydrophobicContact CD2-CD1 3.79Å; F394-L400 HydrophobicContact CD2-CG 4.43Å; F394-L400 HydrophobicContact CE2-CD1 3.91Å; F394-L400 HydrophobicContact CG-CB 4.25Å; Q396-L400 PolarHBondContact O-N 2.7Å; V397-L400 WeakPolarHBondContact O-CB 3.21Å; V397-L400 PolarHBondContact O-N 3.15Å; L400-V402 PolarHBondContact O-N 3.26Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CB 3.46Å; L400-H403 PolarHBondContact O-N 3.24Å; L400-Q404 HydrophobicContact CD1-CG 3.99Å; L400-Q404 HydrophobicContact CG-CG 4.35Å; L400-Q404 WeakPolarHBondContact O-CG 3.44Å; L400-Q404 PolarHBondContact O-N 3.01Å
401	K	86.6	Confident	81.9	Confident	134 Å²	134	78.7 Å²	78.7	58%	0.583	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-43.3	179.2	-74.8	-174.1	175.2	-166.8	0	112.6	V397 S398 H403 Q404 R405	V397-K401 HydrophobicContact CG1-CD 4.12Å; V397-K401 HydrophobicContact CG1-CG 4.14Å; V397-K401 WeakPolarHBondContact O-CG 3.44Å; V397-K401 PolarHBondContact O-N 2.76Å; S398-K401 PolarHBondContact O-N 2.8Å; K401-H403 VanDerWaalsContact C-N 3.3Å; K401-Q404 PolarHBondContact O-N 2.88Å; K401-R405 PolarHBondContact O-N 3.15Å
402	V	85.8	Confident	80.4	Confident	92 Å²	92	85.4 Å²	85.4	56%	0.558	45%	0.449	S	S	*	.	H	α-helix	trans	-63.3	-41.6	175.2	174.3	0	0	0	0	110.3	S398 Y399 L400 Q404 R405	S398-V402 WeakPolarHBondContact O-CG2 3.19Å; S398-V402 PolarHBondContact O-N 3.46Å; Y399-V402 PolarHBondContact O-N 3.17Å; L400-V402 PolarHBondContact O-N 3.26Å; V402-Q404 PolarHBondContact O-N 3.42Å; V402-R405 WeakPolarHBondContact O-CB 3.5Å; V402-R405 PolarHBondContact O-N 3.33Å
403	H	86	Confident	80	Confident	17 Å²	17	83.3 Å²	83.3	8%	0.079	44%	0.444	C	S	.	.	H	α-helix	trans	-64.1	-39.2	176.5	170.7	65.4	0	0	0	112.8	C390 F394 Y399 L400 K401 R405 I406 H407	C390-H403 PolarHBondContact SG-NE2 2.96Å; F394-H403 HydrophobicContact CE1-CB 3.93Å; F394-H403 HydrophobicContact CE2-CB 3.9Å; F394-H403 AromaticContact CE2-CD2 3.46Å; F394-H403 VanDerWaalsContact CE2-CD2 3.46Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.36Å; F394-H403 AromaticContact CE2-CG 3.69Å; F394-H403 HydrophobicContact CZ-CB 3.39Å; F394-H403 AromaticContact CZ-CD2 3.48Å; F394-H403 VanDerWaalsContact CZ-CD2 3.48Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.41Å; F394-H403 AromaticContact CZ-CG 3.23Å; F394-H403 AromaticContact CZ-ND1 3.84Å; Y399-H403 VanDerWaalsContact O-CB 3.29Å; Y399-H403 WeakPolarHBondContact O-CB 3.37Å; Y399-H403 PolarHBondContact O-N 3.05Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CB 3.46Å; L400-H403 PolarHBondContact O-N 3.24Å; K401-H403 VanDerWaalsContact C-N 3.3Å; H403-R405 PolarHBondContact O-N 2.86Å; H403-I406 VanDerWaalsContact O-CB 3.26Å; H403-I406 WeakPolarHBondContact O-CB 3.46Å; H403-I406 WeakPolarHBondContact O-CG1 3.27Å; H403-I406 PolarHBondContact O-N 2.98Å; H403-H407 AromaticContact CE1-NE2 3.55Å; H403-H407 AromaticContact NE2-CD2 3.95Å; H403-H407 AromaticContact NE2-NE2 3.15Å; H403-H407 PolarHBondContact NE2-NE2 3.07Å; H403-H407 VanDerWaalsContact NE2-NE2 3.15Å
404	Q	85.3	Confident	79.6	Confident	67 Å²	67	85.3 Å²	85.3	31%	0.313	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-26.7	177.7	-75.8	174.7	-50.2	0	0	112.9	L400 K401 V402 I406 H407 T408	L400-Q404 HydrophobicContact CD1-CG 3.99Å; L400-Q404 HydrophobicContact CG-CG 4.35Å; L400-Q404 WeakPolarHBondContact O-CG 3.44Å; L400-Q404 PolarHBondContact O-N 3.01Å; K401-Q404 PolarHBondContact O-N 2.88Å; V402-Q404 PolarHBondContact O-N 3.42Å; Q404-I406 PolarHBondContact O-N 2.79Å; Q404-H407 PolarHBondContact O-N 3.13Å; Q404-T408 PolarHBondContact O-N 3.18Å; Q404-T408 VanDerWaalsContact O-N 3.11Å
405	R	83	Confident	79.3	Confident	118 Å²	118	87.8 Å²	87.8	45%	0.445	47%	0.465	S	S	.	.	H	α-helix	trans	-61.6	-24.6	173.6	-64.1	-177.7	-176.7	-172.2	-5.5	113.6	K401 V402 H403 H407 T408 G409 D410	K401-R405 PolarHBondContact O-N 3.15Å; V402-R405 WeakPolarHBondContact O-CB 3.5Å; V402-R405 PolarHBondContact O-N 3.33Å; H403-R405 PolarHBondContact O-N 2.86Å; R405-H407 PolarHBondContact O-N 2.85Å; R405-T408 WeakPolarHBondContact CA-OG1 3.49Å; R405-T408 PolarHBondContact O-N 3.16Å; R405-T408 PolarHBondContact O-OG1 3.06Å; R405-G409 PolarHBondContact O-N 3.21Å; R405-D410 HydrophobicContact CB-CB 4.49Å; R405-D410 PolarHBondContact O-N 3.21Å
406	I	83	Confident	79	Confident	126 Å²	126	91.9 Å²	91.9	65%	0.646	49%	0.486	S	S	*	.	H	α-helix	trans	-66.3	-32.6	175.2	-56	172.2	0	0	0	110.3	H403 Q404	H403-I406 VanDerWaalsContact O-CB 3.26Å; H403-I406 WeakPolarHBondContact O-CB 3.46Å; H403-I406 WeakPolarHBondContact O-CG1 3.27Å; H403-I406 PolarHBondContact O-N 2.98Å; Q404-I406 PolarHBondContact O-N 2.79Å
407	H	83.8	Confident	78.7	Confident	78 Å²	78	94.4 Å²	94.4	36%	0.361	50%	0.502	S	S	.	.	H	α-helix	trans	-83.7	-33.4	178	-57.3	-59.5	0	0	0	112.1	E389 H403 Q404 R405 G409	E389-H407 WeakPolarHBondContact OE2-CB 3.31Å; E389-H407 IonicContact OE2-CD2 2.92Å; E389-H407 PolarHBondContact OE2-CD2 3.46Å; E389-H407 IonicContact OE2-CG 3.09Å; E389-H407 IonicContact OE2-NE2 3.91Å; H403-H407 AromaticContact CE1-NE2 3.55Å; H403-H407 AromaticContact NE2-CD2 3.95Å; H403-H407 AromaticContact NE2-NE2 3.15Å; H403-H407 PolarHBondContact NE2-NE2 3.07Å; H403-H407 VanDerWaalsContact NE2-NE2 3.15Å; Q404-H407 PolarHBondContact O-N 3.13Å; R405-H407 PolarHBondContact O-N 2.85Å; H407-G409 VanDerWaalsContact C-N 3.33Å
408	T	79.3	Confident	78.3	Confident	83 Å²	83	96.7 Å²	96.7	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-80.3	-12.3	177.7	65.2	0	0	0	0	113.8	Q404 R405 D410	Q404-T408 PolarHBondContact O-N 3.18Å; Q404-T408 VanDerWaalsContact O-N 3.11Å; R405-T408 WeakPolarHBondContact CA-OG1 3.49Å; R405-T408 PolarHBondContact O-N 3.16Å; R405-T408 PolarHBondContact O-OG1 3.06Å; T408-D410 WeakPolarHBondContact CB-OD2 3.31Å; T408-D410 PolarHBondContact O-N 3.41Å; T408-D410 PolarHBondContact OG1-OD2 3.02Å
409	G	71.4	Confident	77.8	Confident	64 Å²	64	99.4 Å²	99.4	66%	0.66	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	5.5	-177.1	0	0	0	0	0	114	R405 H407 K411	R405-G409 PolarHBondContact O-N 3.21Å; H407-G409 VanDerWaalsContact C-N 3.33Å; G409-K411 PolarHBondContact O-N 3.06Å
410	D	66	Low	77.2	Confident	103 Å²	103	97.5 Å²	97.5	55%	0.551	52%	0.52	S	S	*	.			trans	-71	101.9	177.1	-67.4	-47.5	0	0	0	109.7	R405 T408	R405-D410 HydrophobicContact CB-CB 4.49Å; R405-D410 PolarHBondContact O-N 3.21Å; T408-D410 WeakPolarHBondContact CB-OD2 3.31Å; T408-D410 PolarHBondContact O-N 3.41Å; T408-D410 PolarHBondContact OG1-OD2 3.02Å
411	K	51.9	Low	76.3	Confident	194 Å²	194	103.9 Å²	103.9	84%	0.843	56%	0.555	S	S	*	*			trans	-60	150.6	167.7	-111.5	-179.6	178.2	173.7	0	110	G409	G409-K411 PolarHBondContact O-N 3.06Å
412	P	54	Low	75.4	Confident	171 Å²	171	101.2 Å²	101.2	100%	1.11	55%	0.552	S	S	*	*			trans	-51.9	0	-171.9	-26.1	33.7	0	0	0	116.1

Retrieved 412 of 412 residues in 1816 ms (Link to these results)

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