A0A087X5A1_POEFO Loading...

Kelch repeat and BTB (POZ) domain containing 2

AlphaFold DB , UniProt , Accession A0A087X5A1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	60.6	Low	252 Å²	252	155.2 Å²	155.2	100%	1.241	83%	0.832	S	S	*	*				0	89.6	0	-74.8	178.3	176	0	0	108.1
2	S	40.8	Very low	63.2	Low	108 Å²	108	149.8 Å²	149.8	76%	0.755	81%	0.81	S	S	*	*			trans	-102.9	105.1	176.4	48.5	0	0	0	0	107.9	L4	S2-L4 PolarHBondContact O-N 3.2Å; S2-L4 VanDerWaalsContact O-N 3.1Å
3	G	42.8	Very low	65.5	Low	83 Å²	83	148.1 Å²	148.1	86%	0.856	80%	0.8	S	S	*	*			trans	-68.8	101.9	176.4	0	0	0	0	0	110.6	S5	G3-S5 PolarHBondContact O-N 2.87Å
4	L	50.4	Low	67.4	Low	162 Å²	162	148.6 Å²	148.6	85%	0.848	79%	0.786	S	S	*	*			trans	-68.5	110.9	163.2	-79.1	151.2	0	0	0	107.4	S2 E6	S2-L4 PolarHBondContact O-N 3.2Å; S2-L4 VanDerWaalsContact O-N 3.1Å; L4-E6 PolarHBondContact O-N 2.86Å
5	S	51.1	Low	68.9	Low	108 Å²	108	142.1 Å²	142.1	76%	0.755	76%	0.762	S	S	*	*			trans	-63.4	100.7	170.1	169.2	0	0	0	0	108.9	G3 R7	G3-S5 PolarHBondContact O-N 2.87Å; S5-R7 PolarHBondContact O-N 3.01Å
6	E	55.3	Low	70.4	Confident	175 Å²	175	138.3 Å²	138.3	82%	0.818	75%	0.745	S	S	*	*			trans	-62.4	103.4	165.3	-76.9	-178.7	158.9	0	0	108.7	L4 R8	L4-E6 PolarHBondContact O-N 2.86Å; E6-R8 PolarHBondContact O-N 2.82Å; E6-R8 VanDerWaalsContact O-N 3.09Å
7	R	60.3	Low	71.7	Confident	239 Å²	239	133.4 Å²	133.4	90%	0.902	72%	0.724	S	S	*	*			trans	-67.1	105.9	166.6	-83.1	-176.4	173.6	-177.4	-2.1	108.2	S5	S5-R7 PolarHBondContact O-N 3.01Å
8	R	74.9	Confident	72.9	Confident	226 Å²	226	130.4 Å²	130.4	85%	0.853	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-60.6	137	170.7	-68.4	-179.3	-177.4	174.6	0.4	109.7	E6	E6-R8 PolarHBondContact O-N 2.82Å; E6-R8 VanDerWaalsContact O-N 3.09Å
9	P	80.4	Confident	73.9	Confident	129 Å²	129	127.1 Å²	127.1	84%	0.838	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-66	139.4	178.5	26.3	-32.5	0	0	0	111.1
10	V	82.1	Confident	74.9	Confident	124 Å²	124	126.6 Å²	126.6	75%	0.752	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-78.3	127.9	175.3	178.5	0	0	0	0	108.7	T12	V10-T12 PolarHBondContact O-N 2.88Å
11	N	89.4	Confident	75.9	Confident	101 Å²	101	125 Å²	125	54%	0.54	67%	0.669	S	S	.	*			trans	-77.7	100.6	173.8	-175.7	-22.9	0	0	0	109.5	D13 Y14 A15	N11-D13 PolarHBondContact OD1-N 2.81Å; N11-D13 VanDerWaalsContact OD1-N 3.17Å; N11-Y14 PolarHBondContact OD1-N 3.49Å; N11-Y14 VanDerWaalsContact OD1-N 3.08Å; N11-A15 PolarHBondContact O-N 3.23Å
12	T	91.7	Very high	78.5	Confident	91 Å²	91	114.8 Å²	114.8	56%	0.558	62%	0.62	S	S	*	*	H	α-helix	trans	-66.3	-36.9	-178.5	48.1	0	0	0	0	112.6	V10 Y14 A15 V16	V10-T12 PolarHBondContact O-N 2.88Å; T12-Y14 VanDerWaalsContact C-N 3.32Å; T12-Y14 PolarHBondContact O-N 3.42Å; T12-A15 PolarHBondContact O-N 3.24Å; T12-A15 VanDerWaalsContact O-N 3.15Å; T12-V16 WeakPolarHBondContact O-CG2 3.42Å; T12-V16 PolarHBondContact O-N 3.02Å
13	D	92.7	Very high	81.1	Confident	127 Å²	127	113.7 Å²	113.7	68%	0.679	60%	0.601	S	S	*	*	H	α-helix	trans	-66	-38.9	-177.5	-58.5	-20.2	0	0	0	111.1	N11 V16 S17	N11-D13 PolarHBondContact OD1-N 2.81Å; N11-D13 VanDerWaalsContact OD1-N 3.17Å; D13-V16 PolarHBondContact O-N 2.97Å; D13-S17 WeakPolarHBondContact O-CB 3.43Å; D13-S17 PolarHBondContact O-N 3.09Å
14	Y	93.1	Very high	83.6	Confident	155 Å²	155	114.3 Å²	114.3	61%	0.608	58%	0.581	S	S	*	*	H	α-helix	trans	-63.1	-42.5	173.1	177.4	-99.9	0	0	0	112.1	N11 T12 S17 L18	N11-Y14 PolarHBondContact OD1-N 3.49Å; N11-Y14 VanDerWaalsContact OD1-N 3.08Å; T12-Y14 VanDerWaalsContact C-N 3.32Å; T12-Y14 PolarHBondContact O-N 3.42Å; Y14-S17 PolarHBondContact O-N 2.98Å; Y14-L18 HydrophobicContact CE1-CD2 4.44Å; Y14-L18 WeakPolarHBondContact O-CB 3.25Å; Y14-L18 PolarHBondContact O-N 2.86Å
15	A	90.1	Very high	85.8	Confident	51 Å²	51	109.4 Å²	109.4	42%	0.421	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-42.1	179	0	0	0	0	0	112	N11 T12 L18 L19	N11-A15 PolarHBondContact O-N 3.23Å; T12-A15 PolarHBondContact O-N 3.24Å; T12-A15 VanDerWaalsContact O-N 3.15Å; A15-L18 PolarHBondContact O-N 3.43Å; A15-L19 PolarHBondContact O-N 2.81Å; A15-L19 VanDerWaalsContact O-N 3.09Å
16	V	91.6	Very high	87.8	Confident	81 Å²	81	106.6 Å²	106.6	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-49.9	174.9	173.2	0	0	0	0	110.5	T12 D13 L18 L19 E20	T12-V16 WeakPolarHBondContact O-CG2 3.42Å; T12-V16 PolarHBondContact O-N 3.02Å; D13-V16 PolarHBondContact O-N 2.97Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.36Å; V16-L19 VanDerWaalsContact O-N 3.15Å; V16-E20 WeakPolarHBondContact O-CG 3.48Å; V16-E20 PolarHBondContact O-N 3.1Å
17	S	93.8	Very high	89.7	Confident	55 Å²	55	103.5 Å²	103.5	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-61	-40.3	179.2	-175.1	0	0	0	0	112.5	D13 Y14 L19 E20 Q21	D13-S17 WeakPolarHBondContact O-CB 3.43Å; D13-S17 PolarHBondContact O-N 3.09Å; Y14-S17 PolarHBondContact O-N 2.98Å; S17-L19 PolarHBondContact O-N 3.01Å; S17-E20 PolarHBondContact O-N 3.25Å; S17-Q21 WeakPolarHBondContact O-CG 3.34Å; S17-Q21 PolarHBondContact O-N 2.89Å
18	L	92.9	Very high	91.4	Very high	81 Å²	81	97.4 Å²	97.4	42%	0.424	49%	0.493	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175	177.6	63	0	0	0	111.8	Y14 A15 V16 Q21 L22	Y14-L18 HydrophobicContact CE1-CD2 4.44Å; Y14-L18 WeakPolarHBondContact O-CB 3.25Å; Y14-L18 PolarHBondContact O-N 2.86Å; A15-L18 PolarHBondContact O-N 3.43Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.48Å; L18-Q21 PolarHBondContact O-N 3.44Å; L18-L22 HydrophobicContact CG-CD1 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 3.05Å
19	L	92.4	Very high	92.4	Very high	66 Å²	66	93.3 Å²	93.3	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-40	179	-169.7	65.9	0	0	0	111.7	A15 V16 S17 Q21 L22 K23 Y91	A15-L19 PolarHBondContact O-N 2.81Å; A15-L19 VanDerWaalsContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.36Å; V16-L19 VanDerWaalsContact O-N 3.15Å; S17-L19 PolarHBondContact O-N 3.01Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 2.97Å; L19-K23 WeakPolarHBondContact O-CB 2.97Å; L19-K23 PolarHBondContact O-N 2.96Å; L19-Y91 VanDerWaalsContact CD1-O 3.3Å; L19-Y91 WeakPolarHBondContact CD1-O 3.46Å; L19-Y91 WeakPolarHBondContact CG-O 3.28Å
20	E	93.7	Very high	93	Very high	118 Å²	118	91 Å²	91	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-59.6	-41.4	173.6	-71.5	176.6	160.2	0	0	112	V16 S17 K23 F24	V16-E20 WeakPolarHBondContact O-CG 3.48Å; V16-E20 PolarHBondContact O-N 3.1Å; S17-E20 PolarHBondContact O-N 3.25Å; E20-K23 PolarHBondContact O-N 3.44Å; E20-F24 PolarHBondContact O-N 3.12Å
21	Q	95.1	Very high	93.6	Very high	93 Å²	93	91.4 Å²	91.4	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-67.5	-41.6	175.9	-66.3	-59.1	-36.6	0	0	112.3	S17 L18 L19 K23 F24 F25	S17-Q21 WeakPolarHBondContact O-CG 3.34Å; S17-Q21 PolarHBondContact O-N 2.89Å; L18-Q21 PolarHBondContact O-N 3.44Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.27Å; Q21-K23 VanDerWaalsContact C-N 3.32Å; Q21-K23 PolarHBondContact O-N 2.93Å; Q21-F24 WeakPolarHBondContact O-CB 3.41Å; Q21-F24 PolarHBondContact O-N 2.97Å; Q21-F25 WeakPolarHBondContact O-CG 3.39Å; Q21-F25 PolarHBondContact O-N 3.2Å
22	L	94.3	Very high	93.9	Very high	38 Å²	38	88.6 Å²	88.6	20%	0.199	45%	0.445	C	S	.	.	H	α-helix	trans	-62.5	-40.7	175.6	-71.9	173.2	0	0	0	111.8	L18 L19 F25 Y26 V49 Y91	L18-L22 HydrophobicContact CG-CD1 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 3.05Å; L19-L22 PolarHBondContact O-N 2.97Å; L22-F25 PolarHBondContact O-N 3.41Å; L22-Y26 PolarHBondContact O-N 3.04Å; L22-V49 HydrophobicContact CD1-CG2 4.35Å; L22-V49 HydrophobicContact CD2-CG2 4.46Å; L22-Y91 HydrophobicContact CB-CD1 4.32Å
23	K	94.1	Very high	94	Very high	84 Å²	84	87.9 Å²	87.9	37%	0.365	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-46.8	173.4	-178.2	-172.1	175.2	-178.3	0	111.2	L19 E20 Q21 F25 Y26 E27 T92	L19-K23 WeakPolarHBondContact O-CB 2.97Å; L19-K23 PolarHBondContact O-N 2.96Å; E20-K23 PolarHBondContact O-N 3.44Å; Q21-K23 VanDerWaalsContact C-N 3.32Å; Q21-K23 PolarHBondContact O-N 2.93Å; K23-F25 VanDerWaalsContact C-N 3.34Å; K23-F25 PolarHBondContact O-N 2.61Å; K23-Y26 WeakPolarHBondContact O-CB 3.38Å; K23-Y26 PolarHBondContact O-N 3.12Å; K23-E27 WeakPolarHBondContact CE-OE1 3.49Å; K23-E27 IonicContact NZ-OE1 2.62Å; K23-E27 WeakPolarHBondContact O-CG 3.49Å; K23-E27 PolarHBondContact O-N 3.42Å; K23-T92 HydrophobicContact CD-CG2 4.05Å; K23-T92 HydrophobicContact CG-CG2 4.49Å
24	F	95.9	Very high	94.1	Very high	97 Å²	97	81.9 Å²	81.9	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-58.5	-44.7	176.6	174.3	-100.4	0	0	0	111.9	E20 Q21 Y26 E27 Q28 L30	E20-F24 PolarHBondContact O-N 3.12Å; Q21-F24 WeakPolarHBondContact O-CB 3.41Å; Q21-F24 PolarHBondContact O-N 2.97Å; F24-Y26 VanDerWaalsContact C-N 3.34Å; F24-Y26 PolarHBondContact O-N 3.16Å; F24-E27 PolarHBondContact O-N 3.21Å; F24-Q28 HydrophobicContact CD2-CG 4.14Å; F24-Q28 HydrophobicContact CE1-CG 4.21Å; F24-Q28 HydrophobicContact CE2-CG 3.72Å; F24-Q28 HydrophobicContact CZ-CG 3.75Å; F24-Q28 WeakPolarHBondContact O-CB 3.46Å; F24-Q28 WeakPolarHBondContact O-CG 3.39Å; F24-Q28 PolarHBondContact O-N 3.23Å; F24-L30 HydrophobicContact CE1-CD1 4.29Å
25	F	95.9	Very high	94.2	Very high	59 Å²	59	75.6 Å²	75.6	26%	0.259	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-40.4	176.2	-66.3	-18.2	0	0	0	112.7	Q21 L22 K23 Q28 K29 L30 L31	Q21-F25 WeakPolarHBondContact O-CG 3.39Å; Q21-F25 PolarHBondContact O-N 3.2Å; L22-F25 PolarHBondContact O-N 3.41Å; K23-F25 VanDerWaalsContact C-N 3.34Å; K23-F25 PolarHBondContact O-N 2.61Å; F25-Q28 PolarHBondContact O-N 3.04Å; F25-K29 WeakPolarHBondContact O-CA 3.39Å; F25-K29 PolarHBondContact O-N 3.23Å; F25-L30 HydrophobicContact CB-CB 4.28Å; F25-L30 HydrophobicContact CD1-CB 4.27Å; F25-L30 HydrophobicContact CD1-CD1 4.07Å; F25-L30 HydrophobicContact CG-CB 4.48Å; F25-L30 PolarHBondContact O-N 3.25Å; F25-L31 HydrophobicContact CD2-CD1 4.16Å; F25-L31 HydrophobicContact CE2-CD1 4.09Å
26	Y	94.8	Very high	94.5	Very high	49 Å²	49	73.2 Å²	73.2	19%	0.192	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-48.5	174.5	169.4	-111.7	0	0	0	112.3	L22 K23 F24 Q28 K29 P44 I87 Y91	L22-Y26 PolarHBondContact O-N 3.04Å; K23-Y26 WeakPolarHBondContact O-CB 3.38Å; K23-Y26 PolarHBondContact O-N 3.12Å; F24-Y26 VanDerWaalsContact C-N 3.34Å; F24-Y26 PolarHBondContact O-N 3.16Å; Y26-Q28 VanDerWaalsContact C-N 3.3Å; Y26-Q28 PolarHBondContact O-N 3.04Å; Y26-K29 PolarHBondContact O-N 3.34Å; Y26-K29 VanDerWaalsContact O-N 3.09Å; Y26-P44 WeakPolarHBondContact CE2-O 3.42Å; Y26-I87 HydrophobicContact CE1-CG2 4.37Å; Y26-I87 HydrophobicContact CE2-CG2 3.69Å; Y26-I87 WeakPolarHBondContact OH-CG2 3.18Å; Y26-Y91 AromaticContact CD1-CD2 3.88Å; Y26-Y91 HydrophobicContact CD1-CD2 3.88Å; Y26-Y91 HydrophobicContact CD1-CE2 4.19Å; Y26-Y91 HydrophobicContact CD1-CG 4.15Å; Y26-Y91 HydrophobicContact CD2-CD2 4.08Å; Y26-Y91 HydrophobicContact CD2-CE1 4.45Å; Y26-Y91 AromaticContact CD2-CE2 3.54Å; Y26-Y91 HydrophobicContact CD2-CE2 3.54Å; Y26-Y91 AromaticContact CD2-CZ 3.74Å; Y26-Y91 HydrophobicContact CE1-CD2 4.27Å; Y26-Y91 HydrophobicContact CE2-CD2 4.46Å; Y26-Y91 AromaticContact CE2-CE2 3.98Å; Y26-Y91 HydrophobicContact CE2-CE2 3.98Å; Y26-Y91 HydrophobicContact CG-CD1 4.22Å; Y26-Y91 AromaticContact CG-CD2 3.77Å; Y26-Y91 HydrophobicContact CG-CD2 3.77Å; Y26-Y91 HydrophobicContact CG-CE1 4.1Å; Y26-Y91 AromaticContact CG-CE2 3.65Å; Y26-Y91 HydrophobicContact CG-CE2 3.65Å; Y26-Y91 HydrophobicContact CG-CG 4.08Å; Y26-Y91 AromaticContact CG-CZ 3.82Å
27	E	94.2	Very high	94.6	Very high	110 Å²	110	70.5 Å²	70.5	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-36.6	-179.9	-72.1	176.6	172.2	0	0	112.5	K23 F24 K29	K23-E27 WeakPolarHBondContact CE-OE1 3.49Å; K23-E27 IonicContact NZ-OE1 2.62Å; K23-E27 WeakPolarHBondContact O-CG 3.49Å; K23-E27 PolarHBondContact O-N 3.42Å; F24-E27 PolarHBondContact O-N 3.21Å; E27-K29 VanDerWaalsContact C-N 3.32Å
28	Q	96.1	Very high	94.6	Very high	111 Å²	111	67.9 Å²	67.9	52%	0.519	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.6	177.5	-60.3	-54.2	-55.3	0	0	113.6	F24 F25 Y26 L30	F24-Q28 HydrophobicContact CD2-CG 4.14Å; F24-Q28 HydrophobicContact CE1-CG 4.21Å; F24-Q28 HydrophobicContact CE2-CG 3.72Å; F24-Q28 HydrophobicContact CZ-CG 3.75Å; F24-Q28 WeakPolarHBondContact O-CB 3.46Å; F24-Q28 WeakPolarHBondContact O-CG 3.39Å; F24-Q28 PolarHBondContact O-N 3.23Å; F25-Q28 PolarHBondContact O-N 3.04Å; Y26-Q28 VanDerWaalsContact C-N 3.3Å; Y26-Q28 PolarHBondContact O-N 3.04Å; Q28-L30 HydrophobicContact CB-CD1 3.88Å; Q28-L30 HydrophobicContact CB-CG 3.77Å; Q28-L30 PolarHBondContact O-N 3.46Å
29	K	95.2	Very high	94.5	Very high	139 Å²	139	71.5 Å²	71.5	60%	0.604	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.5	-175.1	-54.3	178.4	177.8	-174.8	0	113.1	F25 Y26 E27 P44	F25-K29 WeakPolarHBondContact O-CA 3.39Å; F25-K29 PolarHBondContact O-N 3.23Å; Y26-K29 PolarHBondContact O-N 3.34Å; Y26-K29 VanDerWaalsContact O-N 3.09Å; E27-K29 VanDerWaalsContact C-N 3.32Å; K29-P44 HydrophobicContact CD-CG 4.17Å
30	L	94.6	Very high	94.3	Very high	80 Å²	80	76.4 Å²	76.4	42%	0.419	37%	0.37	S	S	.	.			trans	-86.8	141	176.5	-63.3	174.7	0	0	0	109.5	F24 F25 Q28 T32 H46	F24-L30 HydrophobicContact CE1-CD1 4.29Å; F25-L30 HydrophobicContact CB-CB 4.28Å; F25-L30 HydrophobicContact CD1-CB 4.27Å; F25-L30 HydrophobicContact CD1-CD1 4.07Å; F25-L30 HydrophobicContact CG-CB 4.48Å; F25-L30 PolarHBondContact O-N 3.25Å; Q28-L30 HydrophobicContact CB-CD1 3.88Å; Q28-L30 HydrophobicContact CB-CG 3.77Å; Q28-L30 PolarHBondContact O-N 3.46Å; L30-T32 PolarHBondContact O-N 2.96Å; L30-H46 PolarHBondContact O-NE2 3.19Å
31	L	93.8	Very high	94.3	Very high	133 Å²	133	72.9 Å²	72.9	70%	0.696	36%	0.358	S	S	*	.	S	Bend	trans	57.9	14.6	174.7	-54.8	175	0	0	0	115.5	F25 D33 H46	F25-L31 HydrophobicContact CD2-CD1 4.16Å; F25-L31 HydrophobicContact CE2-CD1 4.09Å; L31-D33 PolarHBondContact O-N 3.44Å; L31-H46 PolarHBondContact O-CD2 3Å
32	T	94.9	Very high	94.4	Very high	43 Å²	43	75 Å²	75	26%	0.264	37%	0.368	S	S	.	.			trans	-67.1	129	174.7	57.6	0	0	0	0	110.3	L30 P44 C45	L30-T32 PolarHBondContact O-N 2.96Å; T32-P44 HydrophobicContact CG2-CB 3.99Å; T32-C45 WeakPolarHBondContact CA-O 3.18Å; T32-C45 WeakPolarHBondContact CB-O 3.42Å
33	D	94.3	Very high	94.5	Very high	75 Å²	75	74.2 Å²	74.2	40%	0.401	36%	0.363	S	S	.	.			trans	-116.8	3.6	-173.8	61.5	-8.7	0	0	0	112.9	L31 C45 H46 K47	L31-D33 PolarHBondContact O-N 3.44Å; D33-C45 PolarHBondContact N-O 2.99Å; D33-C45 VanDerWaalsContact N-O 3.1Å; D33-H46 VanDerWaalsContact OD1-CA 3.24Å; D33-H46 WeakPolarHBondContact OD1-CA 3.36Å; D33-K47 WeakPolarHBondContact O-CE 3.5Å; D33-K47 WeakPolarHBondContact OD1-CG 3.38Å; D33-K47 PolarHBondContact OD1-N 3.04Å
34	V	94.8	Very high	94.6	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.4	172.2	64.7	0	0	0	0	111.5	L36 C45 K47 L50 F61 T71 V73	V34-L36 HydrophobicContact CG2-CD2 4.32Å; V34-C45 HydrophobicContact CG1-CB 4.08Å; V34-C45 PolarHBondContact N-O 2.99Å; V34-C45 PolarHBondContact O-N 2.95Å; V34-K47 HydrophobicContact CB-CD 4.48Å; V34-K47 HydrophobicContact CB-CG 3.78Å; V34-K47 HydrophobicContact CG1-CG 3.72Å; V34-L50 HydrophobicContact CG1-CD1 4.13Å; V34-F61 HydrophobicContact CG1-CZ 4.39Å; V34-F61 HydrophobicContact CG2-CE1 4.42Å; V34-F61 HydrophobicContact CG2-CZ 4.33Å; V34-T71 CarbonylContact C-O 3.53Å; V34-T71 WeakPolarHBondContact CA-O 3.01Å; V34-V73 HydrophobicContact CG2-CG2 3.87Å
35	V	95.9	Very high	94.6	Very high	23 Å²	23	66.6 Å²	66.6	14%	0.139	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.1	170.5	-176.3	0	0	0	0	108.6	L37 E42 P44 T71 H72 V73	V35-L37 HydrophobicContact CG1-CD2 3.85Å; V35-L37 HydrophobicContact CG1-CG 4.48Å; V35-E42 HydrophobicContact CG1-CB 3.99Å; V35-P44 HydrophobicContact CG2-CB 4.49Å; V35-T71 PolarHBondContact N-O 2.9Å; V35-H72 CarbonylContact O-C 3.58Å; V35-H72 WeakPolarHBondContact O-CA 3.36Å; V35-V73 PolarHBondContact O-N 2.98Å
36	L	95.3	Very high	94.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.7	172.2	-52.5	178.1	0	0	0	109	V34 F43 L50 F57 V73 L75 L83 I87	V34-L36 HydrophobicContact CG2-CD2 4.32Å; L36-F43 HydrophobicContact CB-CB 4.24Å; L36-F43 PolarHBondContact N-O 3.45Å; L36-F43 PolarHBondContact O-N 3.34Å; L36-L50 HydrophobicContact CD1-CD1 3.94Å; L36-L50 HydrophobicContact CD2-CD1 4.41Å; L36-L50 HydrophobicContact CG-CD1 4.37Å; L36-F57 HydrophobicContact CD1-CE1 4.31Å; L36-F57 HydrophobicContact CD1-CE2 4.46Å; L36-F57 HydrophobicContact CD1-CZ 3.79Å; L36-F57 HydrophobicContact CD2-CE1 3.86Å; L36-F57 HydrophobicContact CD2-CZ 4.19Å; L36-V73 WeakPolarHBondContact CA-O 3.2Å; L36-V73 HydrophobicContact CD2-CB 3.96Å; L36-V73 HydrophobicContact CD2-CG1 4.32Å; L36-L75 HydrophobicContact CB-CD1 4.37Å; L36-L75 HydrophobicContact CD1-CD1 4.22Å; L36-L75 HydrophobicContact CD2-CD1 4.44Å; L36-L83 HydrophobicContact CB-CD2 4.47Å; L36-L83 HydrophobicContact CD1-CD1 4.33Å; L36-L83 HydrophobicContact CD1-CD2 4.36Å; L36-I87 HydrophobicContact CD1-CD1 4.1Å
37	L	94.7	Very high	94.6	Very high	24 Å²	24	64 Å²	64	13%	0.126	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.7	-179	-60.1	177.5	0	0	0	108.8	V35 E42 H72 V73 H74 L75	V35-L37 HydrophobicContact CG1-CD2 3.85Å; V35-L37 HydrophobicContact CG1-CG 4.48Å; L37-E42 HydrophobicContact CD2-CB 4.05Å; L37-E42 HydrophobicContact CD2-CG 3.56Å; L37-H72 HydrophobicContact CD1-CB 3.91Å; L37-V73 PolarHBondContact N-O 3.07Å; L37-H74 WeakPolarHBondContact CD1-CE1 3.45Å; L37-H74 WeakPolarHBondContact CD1-NE2 3.5Å; L37-H74 WeakPolarHBondContact O-CA 3.32Å; L37-L75 PolarHBondContact O-N 2.77Å
38	V	94.4	Very high	94.5	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.1	-179.3	-173.3	0	0	0	0	108.6	D40 S41 F43 L75 V78 P80 L83	V38-D40 PolarHBondContact O-N 3.39Å; V38-S41 PolarHBondContact N-O 2.94Å; V38-S41 WeakPolarHBondContact O-CA 3.49Å; V38-S41 WeakPolarHBondContact O-CB 3.46Å; V38-S41 PolarHBondContact O-N 3.44Å; V38-F43 HydrophobicContact CB-CE2 4.42Å; V38-L75 HydrophobicContact CG2-CB 3.88Å; V38-L75 HydrophobicContact CG2-CD1 4.16Å; V38-L75 HydrophobicContact CG2-CG 4.4Å; V38-V78 HydrophobicContact CG1-CB 4.24Å; V38-V78 HydrophobicContact CG1-CG1 4.4Å; V38-V78 WeakPolarHBondContact CG1-O 3.47Å; V38-P80 HydrophobicContact CG1-CG 3.97Å; V38-L83 HydrophobicContact CB-CD2 4.36Å; V38-L83 HydrophobicContact CG2-CD2 3.35Å
39	E	89.5	Confident	94.5	Very high	156 Å²	156	60 Å²	60	73%	0.729	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	-121.9	-170.6	-57.2	-177	161.7	0	0	110.5	P80	E39-P80 HydrophobicContact CB-CG 4.37Å; E39-P80 HydrophobicContact CG-CG 4.34Å
40	D	88.9	Confident	94.5	Very high	169 Å²	169	53.6 Å²	53.6	90%	0.904	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	10.4	177.8	-61.2	-39.5	0	0	0	113.3	V38	V38-D40 PolarHBondContact O-N 3.39Å
41	S	94.4	Very high	94.5	Very high	45 Å²	45	50.6 Å²	50.6	32%	0.315	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.7	-176.4	-63.5	0	0	0	0	112.8	V38	V38-S41 PolarHBondContact N-O 2.94Å; V38-S41 WeakPolarHBondContact O-CA 3.49Å; V38-S41 WeakPolarHBondContact O-CB 3.46Å; V38-S41 PolarHBondContact O-N 3.44Å
42	E	95.6	Very high	94.5	Very high	136 Å²	136	48.8 Å²	48.8	64%	0.636	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	176.1	-51.1	-166.7	162.3	0	0	111.6	V35 L37	V35-E42 HydrophobicContact CG1-CB 3.99Å; L37-E42 HydrophobicContact CD2-CB 4.05Å; L37-E42 HydrophobicContact CD2-CG 3.56Å
43	F	96.4	Very high	94.5	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	92.4	179.7	-56.3	-90.1	0	0	0	111.5	L36 V38 C45 P80 L83 K84 I87	L36-F43 HydrophobicContact CB-CB 4.24Å; L36-F43 PolarHBondContact N-O 3.45Å; L36-F43 PolarHBondContact O-N 3.34Å; V38-F43 HydrophobicContact CB-CE2 4.42Å; F43-C45 PolarHBondContact O-N 3.21Å; F43-P80 HydrophobicContact CE2-CB 4.39Å; F43-P80 HydrophobicContact CZ-CB 4.14Å; F43-P80 WeakPolarHBondContact CZ-O 3.35Å; F43-L83 HydrophobicContact CD2-CD2 3.88Å; F43-L83 HydrophobicContact CE2-CD2 4Å; F43-K84 HydrophobicContact CE1-CB 3.92Å; F43-K84 HydrophobicContact CE1-CG 4.29Å; F43-I87 HydrophobicContact CB-CD1 3.74Å; F43-I87 HydrophobicContact CD1-CD1 3.98Å; F43-I87 HydrophobicContact CG-CD1 3.91Å
44	P	96.5	Very high	94.6	Very high	22 Å²	22	44.8 Å²	44.8	14%	0.143	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	125.9	171.1	-20.4	33.6	0	0	0	111.1	Y26 K29 T32 V35	Y26-P44 WeakPolarHBondContact CE2-O 3.42Å; K29-P44 HydrophobicContact CD-CG 4.17Å; T32-P44 HydrophobicContact CG2-CB 3.99Å; V35-P44 HydrophobicContact CG2-CB 4.49Å
45	C	96.6	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	172.8	-172.3	-71.3	0	0	0	0	112.1	T32 D33 V34 F43 L50	T32-C45 WeakPolarHBondContact CA-O 3.18Å; T32-C45 WeakPolarHBondContact CB-O 3.42Å; D33-C45 PolarHBondContact N-O 2.99Å; D33-C45 VanDerWaalsContact N-O 3.1Å; V34-C45 HydrophobicContact CG1-CB 4.08Å; V34-C45 PolarHBondContact N-O 2.99Å; V34-C45 PolarHBondContact O-N 2.95Å; F43-C45 PolarHBondContact O-N 3.21Å; C45-L50 HydrophobicContact CB-CD1 3.73Å; C45-L50 HydrophobicContact CB-CG 4.19Å
46	H	95.6	Very high	94.6	Very high	14 Å²	14	49 Å²	49	7%	0.065	26%	0.26	C	S	.	.			trans	-101.7	122.8	172	-54.3	94.6	0	0	0	110.5	L30 L31 D33 M48 V49 L50 Y91	L30-H46 PolarHBondContact O-NE2 3.19Å; L31-H46 PolarHBondContact O-CD2 3Å; D33-H46 VanDerWaalsContact OD1-CA 3.24Å; D33-H46 WeakPolarHBondContact OD1-CA 3.36Å; H46-M48 PolarHBondContact O-N 2.89Å; H46-V49 HydrophobicContact CB-CB 4.22Å; H46-V49 HydrophobicContact CB-CG2 3.94Å; H46-V49 PolarHBondContact O-N 3.36Å; H46-V49 VanDerWaalsContact O-N 3.14Å; H46-L50 PolarHBondContact O-N 2.83Å; H46-L50 VanDerWaalsContact O-N 3.11Å; H46-Y91 PolarHBondContact N-OH 2.93Å; H46-Y91 AromaticContact ND1-CE1 3.45Å; H46-Y91 WeakPolarHBondContact ND1-CE1 3.43Å; H46-Y91 AromaticContact ND1-CZ 3.52Å; H46-Y91 PolarHBondContact ND1-OH 3.32Å
47	K	94.2	Very high	94.5	Very high	38 Å²	38	49.1 Å²	49.1	17%	0.165	26%	0.26	C	S	.	.	H	α-helix	trans	-53.6	-41.2	177.6	-72.4	-177.6	177.7	-175.6	0	111.5	D33 V34 L50 A51 F61 S68 Q70	D33-K47 WeakPolarHBondContact O-CE 3.5Å; D33-K47 WeakPolarHBondContact OD1-CG 3.38Å; D33-K47 PolarHBondContact OD1-N 3.04Å; V34-K47 HydrophobicContact CB-CD 4.48Å; V34-K47 HydrophobicContact CB-CG 3.78Å; V34-K47 HydrophobicContact CG1-CG 3.72Å; K47-L50 PolarHBondContact O-N 3.17Å; K47-A51 WeakPolarHBondContact O-CB 3.46Å; K47-A51 PolarHBondContact O-N 3.15Å; K47-F61 HydrophobicContact CB-CD2 3.71Å; K47-F61 HydrophobicContact CB-CE2 3.83Å; K47-F61 HydrophobicContact CB-CG 4.25Å; K47-F61 HydrophobicContact CB-CZ 4.45Å; K47-F61 HydrophobicContact CD-CD1 4.17Å; K47-F61 HydrophobicContact CD-CD2 4.49Å; K47-F61 HydrophobicContact CD-CE1 4.4Å; K47-F61 HydrophobicContact CD-CG 4.24Å; K47-F61 HydrophobicContact CG-CD1 4.25Å; K47-F61 HydrophobicContact CG-CD2 3.95Å; K47-F61 HydrophobicContact CG-CE1 4.15Å; K47-F61 HydrophobicContact CG-CE2 3.83Å; K47-F61 HydrophobicContact CG-CG 4.18Å; K47-F61 HydrophobicContact CG-CZ 3.94Å; K47-S68 PolarHBondContact NZ-O 2.7Å; K47-S68 VanDerWaalsContact NZ-O 3.12Å; K47-Q70 PolarHBondContact NZ-O 3.28Å
48	M	93.5	Very high	94.5	Very high	129 Å²	129	52.7 Å²	52.7	64%	0.635	27%	0.272	S	S	*	.	H	α-helix	trans	-60.4	-48.2	179.2	-179.5	173.6	52.9	0	0	112.1	H46 A51 T52	H46-M48 PolarHBondContact O-N 2.89Å; M48-A51 PolarHBondContact O-N 3.14Å; M48-T52 WeakPolarHBondContact O-CG2 3.38Å; M48-T52 PolarHBondContact O-N 3.34Å; M48-T52 PolarHBondContact O-OG1 3.19Å
49	V	95.8	Very high	94.4	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-44.7	-179	178.1	0	0	0	0	110.5	L22 H46 T52 C53 A90 Y91	L22-V49 HydrophobicContact CD1-CG2 4.35Å; L22-V49 HydrophobicContact CD2-CG2 4.46Å; H46-V49 HydrophobicContact CB-CB 4.22Å; H46-V49 HydrophobicContact CB-CG2 3.94Å; H46-V49 PolarHBondContact O-N 3.36Å; H46-V49 VanDerWaalsContact O-N 3.14Å; V49-T52 WeakPolarHBondContact CA-OG1 3.18Å; V49-T52 PolarHBondContact O-N 3.37Å; V49-T52 PolarHBondContact O-OG1 3.08Å; V49-C53 PolarHBondContact O-N 3Å; V49-A90 HydrophobicContact CG1-CB 4.03Å; V49-A90 WeakPolarHBondContact CG1-O 3.3Å; V49-Y91 HydrophobicContact CB-CE1 4.04Å; V49-Y91 HydrophobicContact CG1-CD1 4.04Å; V49-Y91 HydrophobicContact CG1-CD2 4.38Å; V49-Y91 HydrophobicContact CG1-CE1 3.79Å; V49-Y91 HydrophobicContact CG1-CE2 4.14Å; V49-Y91 HydrophobicContact CG1-CG 4.32Å; V49-Y91 HydrophobicContact CG2-CD1 4.47Å; V49-Y91 HydrophobicContact CG2-CE1 3.8Å
50	L	95.4	Very high	94.5	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-45.7	176.5	-66.5	-179.3	0	0	0	112.1	V34 L36 C45 H46 K47 T52 C53 S54 F57 F61 I87	V34-L50 HydrophobicContact CG1-CD1 4.13Å; L36-L50 HydrophobicContact CD1-CD1 3.94Å; L36-L50 HydrophobicContact CD2-CD1 4.41Å; L36-L50 HydrophobicContact CG-CD1 4.37Å; C45-L50 HydrophobicContact CB-CD1 3.73Å; C45-L50 HydrophobicContact CB-CG 4.19Å; H46-L50 PolarHBondContact O-N 2.83Å; H46-L50 VanDerWaalsContact O-N 3.11Å; K47-L50 PolarHBondContact O-N 3.17Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.05Å; L50-C53 PolarHBondContact O-N 3.14Å; L50-S54 WeakPolarHBondContact O-CB 3.29Å; L50-S54 PolarHBondContact O-N 3.23Å; L50-F57 HydrophobicContact CB-CB 4.06Å; L50-F57 HydrophobicContact CB-CD2 3.88Å; L50-F57 HydrophobicContact CB-CG 4.04Å; L50-F57 HydrophobicContact CD1-CD2 4.44Å; L50-F57 HydrophobicContact CD1-CE2 4.49Å; L50-F57 HydrophobicContact CD2-CD2 4.38Å; L50-F57 HydrophobicContact CD2-CE2 4.36Å; L50-F57 HydrophobicContact CG-CD2 4.46Å; L50-F61 HydrophobicContact CB-CE2 4.14Å; L50-F61 HydrophobicContact CD1-CE2 4.45Å; L50-I87 HydrophobicContact CD2-CG1 4.43Å
51	A	94.9	Very high	94.6	Very high	16 Å²	16	42.8 Å²	42.8	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-30.9	177.7	0	0	0	0	0	113.1	K47 M48 R58 F61	K47-A51 WeakPolarHBondContact O-CB 3.46Å; K47-A51 PolarHBondContact O-N 3.15Å; M48-A51 PolarHBondContact O-N 3.14Å; A51-R58 HydrophobicContact CB-CB 4.18Å; A51-R58 HydrophobicContact CB-CG 4.44Å; A51-R58 WeakPolarHBondContact O-CB 3.46Å; A51-R58 PolarHBondContact O-NE 3.35Å; A51-R58 PolarHBondContact O-NH2 3.43Å; A51-R58 VanDerWaalsContact O-NH2 3.11Å; A51-F61 HydrophobicContact CB-CD2 4.27Å
52	T	93.2	Very high	94.3	Very high	96 Å²	96	47.2 Å²	47.2	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-68.1	-37.5	174.2	47.6	0	0	0	0	112.1	M48 V49 L50 R58	M48-T52 WeakPolarHBondContact O-CG2 3.38Å; M48-T52 PolarHBondContact O-N 3.34Å; M48-T52 PolarHBondContact O-OG1 3.19Å; V49-T52 WeakPolarHBondContact CA-OG1 3.18Å; V49-T52 PolarHBondContact O-N 3.37Å; V49-T52 PolarHBondContact O-OG1 3.08Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.05Å; T52-R58 PolarHBondContact O-NH2 2.85Å
53	C	94.8	Very high	93.7	Very high	31 Å²	31	43.4 Å²	43.4	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-87.9	-29.6	-175.3	-170.9	0	0	0	0	113.7	V49 L50 A90	V49-C53 PolarHBondContact O-N 3Å; L50-C53 PolarHBondContact O-N 3.14Å; C53-A90 HydrophobicContact CB-CB 3.97Å
54	S	96.6	Very high	92.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	26%	0.261	C	S	.	.			trans	-126.2	125.2	-171.2	162.8	0	0	0	0	111.7	L50 Y56 F57 R58 L112	L50-S54 WeakPolarHBondContact O-CB 3.29Å; L50-S54 PolarHBondContact O-N 3.23Å; S54-Y56 VanDerWaalsContact C-N 3.27Å; S54-Y56 PolarHBondContact O-N 3.11Å; S54-Y56 PolarHBondContact OG-N 3.36Å; S54-F57 WeakPolarHBondContact OG-CD2 3.39Å; S54-F57 PolarHBondContact OG-N 2.81Å; S54-F57 VanDerWaalsContact OG-N 3.07Å; S54-R58 WeakPolarHBondContact O-CB 3.29Å; S54-R58 PolarHBondContact O-N 2.96Å; S54-L112 WeakPolarHBondContact CB-O 3.44Å; S54-L112 PolarHBondContact OG-O 3.49Å
55	S	95.3	Very high	91.7	Very high	54 Å²	54	49.3 Å²	49.3	38%	0.378	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-30.4	173.7	-64.5	0	0	0	0	112.3	R58 A59 Q113	S55-R58 WeakPolarHBondContact O-CB 3.27Å; S55-R58 PolarHBondContact O-N 3.07Å; S55-A59 WeakPolarHBondContact O-CB 3.24Å; S55-A59 PolarHBondContact O-N 3.36Å; S55-Q113 PolarHBondContact N-O 2.89Å
56	Y	94.3	Very high	90.4	Very high	60 Å²	60	53.1 Å²	53.1	24%	0.235	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-54.4	174.6	174.4	-94.6	0	0	0	111.6	S54 R58 A59 M60 L75 F111 L112	S54-Y56 VanDerWaalsContact C-N 3.27Å; S54-Y56 PolarHBondContact O-N 3.11Å; S54-Y56 PolarHBondContact OG-N 3.36Å; Y56-R58 VanDerWaalsContact C-N 3.29Å; Y56-R58 PolarHBondContact O-N 2.9Å; Y56-A59 PolarHBondContact O-N 2.99Å; Y56-M60 HydrophobicContact CD1-CE 4.29Å; Y56-M60 HydrophobicContact CE1-CE 3.32Å; Y56-M60 HydrophobicContact CE2-CE 4.43Å; Y56-M60 VanDerWaalsContact CZ-CE 3.41Å; Y56-M60 WeakPolarHBondContact O-CB 3.45Å; Y56-M60 PolarHBondContact O-N 2.72Å; Y56-M60 WeakPolarHBondContact OH-CE 3.24Å; Y56-L75 HydrophobicContact CE1-CD2 4.06Å; Y56-F111 HydrophobicContact CE2-CZ 4.47Å; Y56-L112 VanDerWaalsContact CB-O 3.3Å; Y56-L112 WeakPolarHBondContact CB-O 3.02Å; Y56-L112 HydrophobicContact CD1-CD2 3.93Å; Y56-L112 HydrophobicContact CE1-CD2 4.14Å
57	F	94.3	Very high	89.3	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.013	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-35.5	178	-71.7	-54.3	0	0	0	111.8	L36 L50 S54 M60 F61 L75 L112	L36-F57 HydrophobicContact CD1-CE1 4.31Å; L36-F57 HydrophobicContact CD1-CE2 4.46Å; L36-F57 HydrophobicContact CD1-CZ 3.79Å; L36-F57 HydrophobicContact CD2-CE1 3.86Å; L36-F57 HydrophobicContact CD2-CZ 4.19Å; L50-F57 HydrophobicContact CB-CB 4.06Å; L50-F57 HydrophobicContact CB-CD2 3.88Å; L50-F57 HydrophobicContact CB-CG 4.04Å; L50-F57 HydrophobicContact CD1-CD2 4.44Å; L50-F57 HydrophobicContact CD1-CE2 4.49Å; L50-F57 HydrophobicContact CD2-CD2 4.38Å; L50-F57 HydrophobicContact CD2-CE2 4.36Å; L50-F57 HydrophobicContact CG-CD2 4.46Å; S54-F57 WeakPolarHBondContact OG-CD2 3.39Å; S54-F57 PolarHBondContact OG-N 2.81Å; S54-F57 VanDerWaalsContact OG-N 3.07Å; F57-M60 HydrophobicContact CD1-SD 4.39Å; F57-M60 PolarHBondContact O-N 3.46Å; F57-F61 HydrophobicContact CB-CD2 4.19Å; F57-F61 HydrophobicContact CB-CE2 3.75Å; F57-F61 HydrophobicContact CB-CZ 4.31Å; F57-F61 HydrophobicContact CD1-CE2 4.17Å; F57-F61 AromaticContact CD1-CZ 3.88Å; F57-F61 HydrophobicContact CD1-CZ 3.88Å; F57-F61 HydrophobicContact CG-CE2 4.23Å; F57-F61 HydrophobicContact CG-CZ 4.4Å; F57-F61 WeakPolarHBondContact O-CB 3.46Å; F57-F61 WeakPolarHBondContact O-CD2 3.4Å; F57-F61 VanDerWaalsContact O-CG 3.25Å; F57-F61 WeakPolarHBondContact O-CG 3.43Å; F57-F61 PolarHBondContact O-N 2.74Å; F57-L75 HydrophobicContact CE1-CD1 4.42Å; F57-L75 HydrophobicContact CE1-CD2 4.31Å; F57-L75 HydrophobicContact CZ-CD1 4.01Å; F57-L112 HydrophobicContact CE2-CD1 4.27Å; F57-L112 HydrophobicContact CE2-CD2 4.01Å; F57-L112 HydrophobicContact CZ-CD2 3.83Å
58	R	94.4	Very high	88.5	Confident	99 Å²	99	55.4 Å²	55.4	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-57.2	-50.7	173.7	-168.8	-179.6	-56.2	166.3	9.3	111.8	A51 T52 S54 S55 Y56 M62	A51-R58 HydrophobicContact CB-CB 4.18Å; A51-R58 HydrophobicContact CB-CG 4.44Å; A51-R58 WeakPolarHBondContact O-CB 3.46Å; A51-R58 PolarHBondContact O-NE 3.35Å; A51-R58 PolarHBondContact O-NH2 3.43Å; A51-R58 VanDerWaalsContact O-NH2 3.11Å; T52-R58 PolarHBondContact O-NH2 2.85Å; S54-R58 WeakPolarHBondContact O-CB 3.29Å; S54-R58 PolarHBondContact O-N 2.96Å; S55-R58 WeakPolarHBondContact O-CB 3.27Å; S55-R58 PolarHBondContact O-N 3.07Å; Y56-R58 VanDerWaalsContact C-N 3.29Å; Y56-R58 PolarHBondContact O-N 2.9Å; R58-M62 HydrophobicContact CB-CE 4.38Å; R58-M62 HydrophobicContact CG-CE 3.09Å; R58-M62 VanDerWaalsContact O-CB 3.32Å; R58-M62 WeakPolarHBondContact O-CB 3.35Å; R58-M62 PolarHBondContact O-N 3.38Å
59	A	92.6	Very high	87.8	Confident	62 Å²	62	57.6 Å²	57.6	51%	0.512	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-45.7	177.5	0	0	0	0	0	111.2	S55 Y56 F61 M62 S63	S55-A59 WeakPolarHBondContact O-CB 3.24Å; S55-A59 PolarHBondContact O-N 3.36Å; Y56-A59 PolarHBondContact O-N 2.99Å; A59-F61 PolarHBondContact O-N 2.9Å; A59-M62 PolarHBondContact O-N 3.13Å; A59-S63 WeakPolarHBondContact O-CA 3.45Å; A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.37Å
60	M	90.9	Very high	87.2	Confident	28 Å²	28	60.9 Å²	60.9	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-56.1	-52.2	178.5	-177.3	-175.9	-72.3	0	0	111.8	Y56 F57 S63 E67 V73	Y56-M60 HydrophobicContact CD1-CE 4.29Å; Y56-M60 HydrophobicContact CE1-CE 3.32Å; Y56-M60 HydrophobicContact CE2-CE 4.43Å; Y56-M60 VanDerWaalsContact CZ-CE 3.41Å; Y56-M60 WeakPolarHBondContact O-CB 3.45Å; Y56-M60 PolarHBondContact O-N 2.72Å; Y56-M60 WeakPolarHBondContact OH-CE 3.24Å; F57-M60 HydrophobicContact CD1-SD 4.39Å; F57-M60 PolarHBondContact O-N 3.46Å; M60-S63 PolarHBondContact O-OG 2.95Å; M60-E67 HydrophobicContact CG-CB 4.17Å; M60-V73 HydrophobicContact CE-CG1 4.05Å; M60-V73 HydrophobicContact SD-CG1 3.76Å; M60-V73 HydrophobicContact SD-CG2 4.19Å
61	F	91.2	Very high	86.8	Confident	27 Å²	27	64.6 Å²	64.6	12%	0.118	37%	0.366	C	S	.	.	H	α-helix	trans	-75.5	-24.5	-175.5	-57.7	-32.2	0	0	0	113.7	V34 K47 L50 A51 F57 A59 S68 V73	V34-F61 HydrophobicContact CG1-CZ 4.39Å; V34-F61 HydrophobicContact CG2-CE1 4.42Å; V34-F61 HydrophobicContact CG2-CZ 4.33Å; K47-F61 HydrophobicContact CB-CD2 3.71Å; K47-F61 HydrophobicContact CB-CE2 3.83Å; K47-F61 HydrophobicContact CB-CG 4.25Å; K47-F61 HydrophobicContact CB-CZ 4.45Å; K47-F61 HydrophobicContact CD-CD1 4.17Å; K47-F61 HydrophobicContact CD-CD2 4.49Å; K47-F61 HydrophobicContact CD-CE1 4.4Å; K47-F61 HydrophobicContact CD-CG 4.24Å; K47-F61 HydrophobicContact CG-CD1 4.25Å; K47-F61 HydrophobicContact CG-CD2 3.95Å; K47-F61 HydrophobicContact CG-CE1 4.15Å; K47-F61 HydrophobicContact CG-CE2 3.83Å; K47-F61 HydrophobicContact CG-CG 4.18Å; K47-F61 HydrophobicContact CG-CZ 3.94Å; L50-F61 HydrophobicContact CB-CE2 4.14Å; L50-F61 HydrophobicContact CD1-CE2 4.45Å; A51-F61 HydrophobicContact CB-CD2 4.27Å; F57-F61 HydrophobicContact CB-CD2 4.19Å; F57-F61 HydrophobicContact CB-CE2 3.75Å; F57-F61 HydrophobicContact CB-CZ 4.31Å; F57-F61 HydrophobicContact CD1-CE2 4.17Å; F57-F61 AromaticContact CD1-CZ 3.88Å; F57-F61 HydrophobicContact CD1-CZ 3.88Å; F57-F61 HydrophobicContact CG-CE2 4.23Å; F57-F61 HydrophobicContact CG-CZ 4.4Å; F57-F61 WeakPolarHBondContact O-CB 3.46Å; F57-F61 WeakPolarHBondContact O-CD2 3.4Å; F57-F61 VanDerWaalsContact O-CG 3.25Å; F57-F61 WeakPolarHBondContact O-CG 3.43Å; F57-F61 PolarHBondContact O-N 2.74Å; A59-F61 PolarHBondContact O-N 2.9Å; F61-S68 WeakPolarHBondContact O-CB 3.46Å; F61-V73 HydrophobicContact CE1-CG2 4.49Å
62	M	88.1	Confident	86.7	Confident	138 Å²	138	68.2 Å²	68.2	68%	0.68	38%	0.38	S	S	*	.	H	α-helix	trans	-100.1	-4.9	179.3	-66.9	-160.6	-82.1	0	0	115	R58 A59 G64	R58-M62 HydrophobicContact CB-CE 4.38Å; R58-M62 HydrophobicContact CG-CE 3.09Å; R58-M62 VanDerWaalsContact O-CB 3.32Å; R58-M62 WeakPolarHBondContact O-CB 3.35Å; R58-M62 PolarHBondContact O-N 3.38Å; A59-M62 PolarHBondContact O-N 3.13Å; M62-G64 PolarHBondContact O-N 3.45Å
63	S	83.4	Confident	86.6	Confident	56 Å²	56	63.9 Å²	63.9	39%	0.392	35%	0.353	S	S	.	.	S	Bend	trans	-64.5	-19.2	-176.6	60.4	0	0	0	0	115.2	A59 M60 L65	A59-S63 WeakPolarHBondContact O-CA 3.45Å; A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.37Å; M60-S63 PolarHBondContact O-OG 2.95Å; S63-L65 PolarHBondContact O-N 2.89Å; S63-L65 PolarHBondContact OG-N 3.47Å
64	G	73.6	Confident	86.5	Confident	60 Å²	60	68.8 Å²	68.8	62%	0.619	37%	0.373	S	S	*	.			trans	71.1	2.5	-173.5	0	0	0	0	0	114.6	M62	M62-G64 PolarHBondContact O-N 3.45Å
65	L	76.9	Confident	86.2	Confident	108 Å²	108	69.1 Å²	69.1	57%	0.565	37%	0.374	S	S	*	.	S	Bend	trans	-78.4	176.4	176.4	-62.4	174.2	0	0	0	111.6	S63 E67 S68	S63-L65 PolarHBondContact O-N 2.89Å; S63-L65 PolarHBondContact OG-N 3.47Å; L65-E67 WeakPolarHBondContact CB-OE2 3.46Å; L65-E67 PolarHBondContact O-N 3.46Å; L65-E67 VanDerWaalsContact O-N 3.12Å; L65-S68 WeakPolarHBondContact O-CB 3.42Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-S68 PolarHBondContact O-OG 3.45Å
66	S	70.3	Confident	85.9	Confident	81 Å²	81	76.3 Å²	76.3	57%	0.566	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-54.8	-33.8	-176.5	64.8	0	0	0	0	113.6	S68 K69	S66-S68 VanDerWaalsContact C-N 3.32Å; S66-S68 PolarHBondContact O-N 3.19Å; S66-K69 PolarHBondContact O-N 2.91Å
67	E	71.4	Confident	85.4	Confident	77 Å²	77	81 Å²	81	36%	0.36	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-64.5	-33.1	-179.7	-65.8	84.8	161.4	0	0	111.9	M60 L65 K69 Q70	M60-E67 HydrophobicContact CG-CB 4.17Å; L65-E67 WeakPolarHBondContact CB-OE2 3.46Å; L65-E67 PolarHBondContact O-N 3.46Å; L65-E67 VanDerWaalsContact O-N 3.12Å; E67-K69 PolarHBondContact O-N 3.29Å; E67-Q70 PolarHBondContact O-N 2.94Å; E67-Q70 VanDerWaalsContact O-N 3.16Å
68	S	76.7	Confident	85.2	Confident	23 Å²	23	81.2 Å²	81.2	16%	0.161	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-63	-27.4	177.2	67.3	0	0	0	0	112.9	K47 F61 L65 S66	K47-S68 PolarHBondContact NZ-O 2.7Å; K47-S68 VanDerWaalsContact NZ-O 3.12Å; F61-S68 WeakPolarHBondContact O-CB 3.46Å; L65-S68 WeakPolarHBondContact O-CB 3.42Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-S68 PolarHBondContact O-OG 3.45Å; S66-S68 VanDerWaalsContact C-N 3.32Å; S66-S68 PolarHBondContact O-N 3.19Å
69	K	79.9	Confident	85	Confident	174 Å²	174	79.9 Å²	79.9	76%	0.757	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-94	-7.1	-179.5	-60.8	-178	-176.3	176.3	0	113.4	S66 E67	S66-K69 PolarHBondContact O-N 2.91Å; E67-K69 PolarHBondContact O-N 3.29Å
70	Q	83.1	Confident	85.1	Confident	78 Å²	78	77.8 Å²	77.8	36%	0.364	41%	0.406	S	S	.	.			trans	-70.6	142.7	178.6	-68	178.3	5.8	0	0	110.7	K47 E67 H72	K47-Q70 PolarHBondContact NZ-O 3.28Å; E67-Q70 PolarHBondContact O-N 2.94Å; E67-Q70 VanDerWaalsContact O-N 3.16Å; Q70-H72 PolarHBondContact OE1-O 3.4Å
71	T	87.3	Confident	85.2	Confident	83 Å²	83	79.3 Å²	79.3	51%	0.509	42%	0.422	S	S	.	.	S	Bend	trans	-98.4	-17.8	171.7	53.4	0	0	0	0	111.9	V34 V35	V34-T71 CarbonylContact C-O 3.53Å; V34-T71 WeakPolarHBondContact CA-O 3.01Å; V35-T71 PolarHBondContact N-O 2.9Å
72	H	92.7	Very high	85.4	Confident	93 Å²	93	78.2 Å²	78.2	43%	0.431	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.6	177.5	-62.2	72.5	0	0	0	108.4	V35 L37 Q70	V35-H72 CarbonylContact O-C 3.58Å; V35-H72 WeakPolarHBondContact O-CA 3.36Å; L37-H72 HydrophobicContact CD1-CB 3.91Å; Q70-H72 PolarHBondContact OE1-O 3.4Å
73	V	91.7	Very high	85.7	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.024	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.1	-177.1	176.4	0	0	0	0	108.7	V34 V35 L36 L37 M60 F61 L75	V34-V73 HydrophobicContact CG2-CG2 3.87Å; V35-V73 PolarHBondContact O-N 2.98Å; L36-V73 WeakPolarHBondContact CA-O 3.2Å; L36-V73 HydrophobicContact CD2-CB 3.96Å; L36-V73 HydrophobicContact CD2-CG1 4.32Å; L37-V73 PolarHBondContact N-O 3.07Å; M60-V73 HydrophobicContact CE-CG1 4.05Å; M60-V73 HydrophobicContact SD-CG1 3.76Å; M60-V73 HydrophobicContact SD-CG2 4.19Å; F61-V73 HydrophobicContact CE1-CG2 4.49Å; V73-L75 HydrophobicContact CG1-CD2 4.1Å
74	H	91.3	Very high	86.3	Confident	135 Å²	135	75.1 Å²	75.1	63%	0.625	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.3	176	-71.4	-86.7	0	0	0	110.8	L37	L37-H74 WeakPolarHBondContact CD1-CE1 3.45Å; L37-H74 WeakPolarHBondContact CD1-NE2 3.5Å; L37-H74 WeakPolarHBondContact O-CA 3.32Å
75	L	91.4	Very high	87.4	Confident	8 Å²	8	74.2 Å²	74.2	4%	0.042	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-98.6	125	171.4	-53.7	170	0	0	0	108.7	L36 L37 V38 Y56 F57 V73 V78 L83 L112	L36-L75 HydrophobicContact CB-CD1 4.37Å; L36-L75 HydrophobicContact CD1-CD1 4.22Å; L36-L75 HydrophobicContact CD2-CD1 4.44Å; L37-L75 PolarHBondContact O-N 2.77Å; V38-L75 HydrophobicContact CG2-CB 3.88Å; V38-L75 HydrophobicContact CG2-CD1 4.16Å; V38-L75 HydrophobicContact CG2-CG 4.4Å; Y56-L75 HydrophobicContact CE1-CD2 4.06Å; F57-L75 HydrophobicContact CE1-CD1 4.42Å; F57-L75 HydrophobicContact CE1-CD2 4.31Å; F57-L75 HydrophobicContact CZ-CD1 4.01Å; V73-L75 HydrophobicContact CG1-CD2 4.1Å; L75-V78 HydrophobicContact CB-CB 4.41Å; L75-V78 HydrophobicContact CB-CG2 4.21Å; L75-L83 HydrophobicContact CD1-CD1 4.35Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å; L75-L112 HydrophobicContact CD1-CD2 4.43Å
76	R	88.3	Confident	88.3	Confident	206 Å²	206	69.4 Å²	69.4	78%	0.777	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-100.6	149.9	175.5	-61.3	-177.3	-178.1	177.2	0.4	109	V78	R76-V78 VanDerWaalsContact C-N 3.27Å; R76-V78 PolarHBondContact O-N 3.06Å
77	N	83.8	Confident	89.5	Confident	158 Å²	158	65.6 Å²	65.6	85%	0.845	32%	0.322	S	S	*	.	S	Bend	trans	60.1	35.5	178	-48.7	-25.3	0	0	0	113.4
78	V	90.3	Very high	90.6	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.042	32%	0.321	C	S	.	.			trans	-123	132.6	174.3	170.4	0	0	0	0	107.3	V38 L75 R76 L83 T108 F111	V38-V78 HydrophobicContact CG1-CB 4.24Å; V38-V78 HydrophobicContact CG1-CG1 4.4Å; V38-V78 WeakPolarHBondContact CG1-O 3.47Å; L75-V78 HydrophobicContact CB-CB 4.41Å; L75-V78 HydrophobicContact CB-CG2 4.21Å; R76-V78 VanDerWaalsContact C-N 3.27Å; R76-V78 PolarHBondContact O-N 3.06Å; V78-L83 HydrophobicContact CG1-CB 3.8Å; V78-L83 HydrophobicContact CG1-CD2 4.38Å; V78-L83 HydrophobicContact CG1-CG 4.47Å; V78-T108 HydrophobicContact CG1-CG2 3.68Å; V78-F111 HydrophobicContact CG2-CD1 3.58Å; V78-F111 HydrophobicContact CG2-CE1 3.69Å
79	D	91	Very high	91.5	Very high	72 Å²	72	63.9 Å²	63.9	39%	0.385	32%	0.317	S	S	.	.			trans	-75.2	130.8	173.7	171.8	75.6	0	0	0	110.3	A81 T82 L83	D79-A81 VanDerWaalsContact C-N 3.25Å; D79-A81 PolarHBondContact O-N 3.31Å; D79-A81 WeakPolarHBondContact OD2-CA 3.38Å; D79-A81 WeakPolarHBondContact OD2-CB 3.37Å; D79-A81 PolarHBondContact OD2-N 3.24Å; D79-T82 HydrophobicContact CB-CG2 4.21Å; D79-T82 PolarHBondContact O-N 3.42Å; D79-T82 PolarHBondContact O-OG1 3.19Å; D79-T82 PolarHBondContact OD2-N 3.22Å; D79-L83 WeakPolarHBondContact O-CB 3.25Å; D79-L83 PolarHBondContact O-N 3.06Å
80	P	94.1	Very high	92.3	Very high	18 Å²	18	56.4 Å²	56.4	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-32.1	179.9	-24.9	33	0	0	0	113.8	V38 E39 F43 K84	V38-P80 HydrophobicContact CG1-CG 3.97Å; E39-P80 HydrophobicContact CB-CG 4.37Å; E39-P80 HydrophobicContact CG-CG 4.34Å; F43-P80 HydrophobicContact CE2-CB 4.39Å; F43-P80 HydrophobicContact CZ-CB 4.14Å; F43-P80 WeakPolarHBondContact CZ-O 3.35Å; P80-K84 WeakPolarHBondContact O-CB 3.43Å; P80-K84 PolarHBondContact O-N 2.97Å
81	A	93.6	Very high	92.8	Very high	59 Å²	59	52.8 Å²	52.8	49%	0.488	27%	0.271	S	S	.	.	H	α-helix	trans	-74.2	-42.8	-177.8	0	0	0	0	0	111.5	D79 K84 I85	D79-A81 VanDerWaalsContact C-N 3.25Å; D79-A81 PolarHBondContact O-N 3.31Å; D79-A81 WeakPolarHBondContact OD2-CA 3.38Å; D79-A81 WeakPolarHBondContact OD2-CB 3.37Å; D79-A81 PolarHBondContact OD2-N 3.24Å; A81-K84 WeakPolarHBondContact O-CB 3.42Å; A81-K84 PolarHBondContact O-N 3.06Å; A81-I85 WeakPolarHBondContact O-CG1 3.37Å; A81-I85 PolarHBondContact O-N 2.86Å; A81-I85 VanDerWaalsContact O-N 3.14Å
82	T	94.6	Very high	93.1	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-39.3	174.6	61.5	0	0	0	0	111.9	D79 K84 I85 I86 P104 L105 T108	D79-T82 HydrophobicContact CB-CG2 4.21Å; D79-T82 PolarHBondContact O-N 3.42Å; D79-T82 PolarHBondContact O-OG1 3.19Å; D79-T82 PolarHBondContact OD2-N 3.22Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 2.75Å; T82-I85 WeakPolarHBondContact O-CB 3.46Å; T82-I85 PolarHBondContact O-N 3.22Å; T82-I85 VanDerWaalsContact O-N 3.15Å; T82-I86 PolarHBondContact O-N 3.11Å; T82-P104 HydrophobicContact CG2-CB 3.67Å; T82-L105 HydrophobicContact CG2-CB 4.35Å; T82-T108 WeakPolarHBondContact CB-OG1 3.18Å; T82-T108 WeakPolarHBondContact OG1-CB 3.46Å; T82-T108 PolarHBondContact OG1-OG1 2.96Å
83	L	95.5	Very high	93	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-43.9	174.5	179	61.6	0	0	0	111	L36 V38 F43 L75 V78 D79 I85 I86 I87 L112	L36-L83 HydrophobicContact CB-CD2 4.47Å; L36-L83 HydrophobicContact CD1-CD1 4.33Å; L36-L83 HydrophobicContact CD1-CD2 4.36Å; V38-L83 HydrophobicContact CB-CD2 4.36Å; V38-L83 HydrophobicContact CG2-CD2 3.35Å; F43-L83 HydrophobicContact CD2-CD2 3.88Å; F43-L83 HydrophobicContact CE2-CD2 4Å; L75-L83 HydrophobicContact CD1-CD1 4.35Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å; V78-L83 HydrophobicContact CG1-CB 3.8Å; V78-L83 HydrophobicContact CG1-CD2 4.38Å; V78-L83 HydrophobicContact CG1-CG 4.47Å; D79-L83 WeakPolarHBondContact O-CB 3.25Å; D79-L83 PolarHBondContact O-N 3.06Å; L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 PolarHBondContact O-N 2.78Å; L83-I86 PolarHBondContact O-N 3.47Å; L83-I87 HydrophobicContact CD1-CD1 3.98Å; L83-I87 HydrophobicContact CD1-CG1 4.07Å; L83-I87 HydrophobicContact CD2-CD1 4.27Å; L83-I87 HydrophobicContact CG-CD1 3.71Å; L83-I87 HydrophobicContact CG-CG1 4.25Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.42Å; L83-I87 PolarHBondContact O-N 2.85Å; L83-L112 HydrophobicContact CD1-CD1 3.74Å
84	K	95.1	Very high	93	Very high	129 Å²	129	55.5 Å²	55.5	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-58.4	-39.7	175.8	-173.4	179.1	178.9	179.7	0	112	F43 P80 A81 T82 A88	F43-K84 HydrophobicContact CE1-CB 3.92Å; F43-K84 HydrophobicContact CE1-CG 4.29Å; P80-K84 WeakPolarHBondContact O-CB 3.43Å; P80-K84 PolarHBondContact O-N 2.97Å; A81-K84 WeakPolarHBondContact O-CB 3.42Å; A81-K84 PolarHBondContact O-N 3.06Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 2.75Å; K84-A88 VanDerWaalsContact O-CB 3.27Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 2.67Å
85	I	95.8	Very high	93.1	Very high	41 Å²	41	49.9 Å²	49.9	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-45.9	176	-66.4	166.6	0	0	0	110.6	A81 T82 L83 A88 Y89 L95 T101 L105	A81-I85 WeakPolarHBondContact O-CG1 3.37Å; A81-I85 PolarHBondContact O-N 2.86Å; A81-I85 VanDerWaalsContact O-N 3.14Å; T82-I85 WeakPolarHBondContact O-CB 3.46Å; T82-I85 PolarHBondContact O-N 3.22Å; T82-I85 VanDerWaalsContact O-N 3.15Å; L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 PolarHBondContact O-N 2.78Å; I85-A88 PolarHBondContact O-N 3.47Å; I85-Y89 WeakPolarHBondContact O-CB 3.38Å; I85-Y89 PolarHBondContact O-N 3.32Å; I85-L95 HydrophobicContact CG2-CD1 3.69Å; I85-T101 HydrophobicContact CD1-CG2 4.47Å; I85-L105 HydrophobicContact CB-CD1 4.26Å; I85-L105 HydrophobicContact CG2-CD1 3.96Å; I85-L105 HydrophobicContact CG2-CD2 4.15Å
86	I	96.4	Very high	93	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-42.2	178.8	-68.7	172.2	0	0	0	111.5	T82 L83 Y89 A90 L105 T108 A109 L112 V114	T82-I86 PolarHBondContact O-N 3.11Å; L83-I86 PolarHBondContact O-N 3.47Å; I86-Y89 WeakPolarHBondContact O-CB 3.36Å; I86-Y89 PolarHBondContact O-N 3.13Å; I86-A90 PolarHBondContact O-N 3.08Å; I86-L105 HydrophobicContact CD1-CD1 4.05Å; I86-L105 HydrophobicContact CG1-CD1 3.66Å; I86-T108 HydrophobicContact CD1-CG2 3.61Å; I86-A109 HydrophobicContact CD1-CB 4.19Å; I86-L112 HydrophobicContact CD1-CD1 4.06Å; I86-L112 HydrophobicContact CG2-CD1 4.42Å; I86-V114 HydrophobicContact CG2-CG2 3.95Å
87	I	95.8	Very high	93.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-48.3	176	-66	168.9	0	0	0	109.6	Y26 L36 F43 L50 L83 Y89 A90 Y91	Y26-I87 HydrophobicContact CE1-CG2 4.37Å; Y26-I87 HydrophobicContact CE2-CG2 3.69Å; Y26-I87 WeakPolarHBondContact OH-CG2 3.18Å; L36-I87 HydrophobicContact CD1-CD1 4.1Å; F43-I87 HydrophobicContact CB-CD1 3.74Å; F43-I87 HydrophobicContact CD1-CD1 3.98Å; F43-I87 HydrophobicContact CG-CD1 3.91Å; L50-I87 HydrophobicContact CD2-CG1 4.43Å; L83-I87 HydrophobicContact CD1-CD1 3.98Å; L83-I87 HydrophobicContact CD1-CG1 4.07Å; L83-I87 HydrophobicContact CD2-CD1 4.27Å; L83-I87 HydrophobicContact CG-CD1 3.71Å; L83-I87 HydrophobicContact CG-CG1 4.25Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.42Å; L83-I87 PolarHBondContact O-N 2.85Å; I87-Y89 VanDerWaalsContact C-N 3.26Å; I87-Y89 PolarHBondContact O-N 2.92Å; I87-A90 WeakPolarHBondContact O-CB 3.3Å; I87-A90 PolarHBondContact O-N 2.86Å; I87-Y91 HydrophobicContact CG2-CD2 4.09Å; I87-Y91 HydrophobicContact CG2-CE2 3.85Å; I87-Y91 VanDerWaalsContact O-CD2 3.24Å; I87-Y91 WeakPolarHBondContact O-CD2 3.41Å; I87-Y91 PolarHBondContact O-N 3.48Å
88	A	94.6	Very high	93.5	Very high	39 Å²	39	39 Å²	39	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-57.8	-41	176.8	0	0	0	0	0	111.7	K84 I85 A90 Y91 T92	K84-A88 VanDerWaalsContact O-CB 3.27Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 2.67Å; I85-A88 PolarHBondContact O-N 3.47Å; A88-A90 PolarHBondContact O-N 2.82Å; A88-Y91 PolarHBondContact O-N 3.23Å; A88-T92 WeakPolarHBondContact O-CB 3.48Å; A88-T92 VanDerWaalsContact O-CG2 3.29Å; A88-T92 WeakPolarHBondContact O-CG2 3.02Å; A88-T92 PolarHBondContact O-N 3.35Å; A88-T92 PolarHBondContact O-OG1 3.05Å
89	Y	95.8	Very high	93.4	Very high	24 Å²	24	43.3 Å²	43.3	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-44.7	172.6	170.3	-101.1	0	0	0	111.8	I85 I86 I87 Y91 T92 G93 L95 V114 D116 V117	I85-Y89 WeakPolarHBondContact O-CB 3.38Å; I85-Y89 PolarHBondContact O-N 3.32Å; I86-Y89 WeakPolarHBondContact O-CB 3.36Å; I86-Y89 PolarHBondContact O-N 3.13Å; I87-Y89 VanDerWaalsContact C-N 3.26Å; I87-Y89 PolarHBondContact O-N 2.92Å; Y89-Y91 PolarHBondContact O-N 3.4Å; Y89-Y91 VanDerWaalsContact O-N 3.14Å; Y89-T92 PolarHBondContact O-N 2.95Å; Y89-T92 VanDerWaalsContact O-N 3.14Å; Y89-G93 WeakPolarHBondContact CE2-O 3.33Å; Y89-G93 WeakPolarHBondContact O-CA 3.39Å; Y89-G93 PolarHBondContact O-N 3.08Å; Y89-L95 HydrophobicContact CD2-CB 3.88Å; Y89-L95 HydrophobicContact CD2-CD1 4.37Å; Y89-L95 HydrophobicContact CE2-CB 4.39Å; Y89-L95 HydrophobicContact CG-CD1 4.35Å; Y89-V114 HydrophobicContact CE1-CG1 4.39Å; Y89-D116 HydrophobicContact CE1-CB 4.43Å; Y89-D116 WeakPolarHBondContact OH-CB 3.47Å; Y89-D116 PolarHBondContact OH-OD2 3.09Å; Y89-V117 HydrophobicContact CD1-CG2 3.44Å; Y89-V117 VanDerWaalsContact CD1-CG2 3.44Å; Y89-V117 HydrophobicContact CE1-CG2 3.6Å; Y89-V117 HydrophobicContact CG-CG2 3.93Å
90	A	95.8	Very high	93.3	Very high	18 Å²	18	44.7 Å²	44.7	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-28.3	179.8	0	0	0	0	0	113.7	V49 C53 I86 I87 A88	V49-A90 HydrophobicContact CG1-CB 4.03Å; V49-A90 WeakPolarHBondContact CG1-O 3.3Å; C53-A90 HydrophobicContact CB-CB 3.97Å; I86-A90 PolarHBondContact O-N 3.08Å; I87-A90 WeakPolarHBondContact O-CB 3.3Å; I87-A90 PolarHBondContact O-N 2.86Å; A88-A90 PolarHBondContact O-N 2.82Å
91	Y	95	Very high	93.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-97.1	-16.7	176.9	-70.1	-84.1	0	0	0	114.8	L19 L22 Y26 H46 V49 I87 A88 Y89	L19-Y91 VanDerWaalsContact CD1-O 3.3Å; L19-Y91 WeakPolarHBondContact CD1-O 3.46Å; L19-Y91 WeakPolarHBondContact CG-O 3.28Å; L22-Y91 HydrophobicContact CB-CD1 4.32Å; Y26-Y91 AromaticContact CD1-CD2 3.88Å; Y26-Y91 HydrophobicContact CD1-CD2 3.88Å; Y26-Y91 HydrophobicContact CD1-CE2 4.19Å; Y26-Y91 HydrophobicContact CD1-CG 4.15Å; Y26-Y91 HydrophobicContact CD2-CD2 4.08Å; Y26-Y91 HydrophobicContact CD2-CE1 4.45Å; Y26-Y91 AromaticContact CD2-CE2 3.54Å; Y26-Y91 HydrophobicContact CD2-CE2 3.54Å; Y26-Y91 AromaticContact CD2-CZ 3.74Å; Y26-Y91 HydrophobicContact CE1-CD2 4.27Å; Y26-Y91 HydrophobicContact CE2-CD2 4.46Å; Y26-Y91 AromaticContact CE2-CE2 3.98Å; Y26-Y91 HydrophobicContact CE2-CE2 3.98Å; Y26-Y91 HydrophobicContact CG-CD1 4.22Å; Y26-Y91 AromaticContact CG-CD2 3.77Å; Y26-Y91 HydrophobicContact CG-CD2 3.77Å; Y26-Y91 HydrophobicContact CG-CE1 4.1Å; Y26-Y91 AromaticContact CG-CE2 3.65Å; Y26-Y91 HydrophobicContact CG-CE2 3.65Å; Y26-Y91 HydrophobicContact CG-CG 4.08Å; Y26-Y91 AromaticContact CG-CZ 3.82Å; H46-Y91 PolarHBondContact N-OH 2.93Å; H46-Y91 AromaticContact ND1-CE1 3.45Å; H46-Y91 WeakPolarHBondContact ND1-CE1 3.43Å; H46-Y91 AromaticContact ND1-CZ 3.52Å; H46-Y91 PolarHBondContact ND1-OH 3.32Å; V49-Y91 HydrophobicContact CB-CE1 4.04Å; V49-Y91 HydrophobicContact CG1-CD1 4.04Å; V49-Y91 HydrophobicContact CG1-CD2 4.38Å; V49-Y91 HydrophobicContact CG1-CE1 3.79Å; V49-Y91 HydrophobicContact CG1-CE2 4.14Å; V49-Y91 HydrophobicContact CG1-CG 4.32Å; V49-Y91 HydrophobicContact CG2-CD1 4.47Å; V49-Y91 HydrophobicContact CG2-CE1 3.8Å; I87-Y91 HydrophobicContact CG2-CD2 4.09Å; I87-Y91 HydrophobicContact CG2-CE2 3.85Å; I87-Y91 VanDerWaalsContact O-CD2 3.24Å; I87-Y91 WeakPolarHBondContact O-CD2 3.41Å; I87-Y91 PolarHBondContact O-N 3.48Å; A88-Y91 PolarHBondContact O-N 3.23Å; Y89-Y91 PolarHBondContact O-N 3.4Å; Y89-Y91 VanDerWaalsContact O-N 3.14Å
92	T	92.4	Very high	93.1	Very high	51 Å²	51	43 Å²	43	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-120.3	-21.1	-171	64.2	0	0	0	0	114	K23 A88 Y89 H94	K23-T92 HydrophobicContact CD-CG2 4.05Å; K23-T92 HydrophobicContact CG-CG2 4.49Å; A88-T92 WeakPolarHBondContact O-CB 3.48Å; A88-T92 VanDerWaalsContact O-CG2 3.29Å; A88-T92 WeakPolarHBondContact O-CG2 3.02Å; A88-T92 PolarHBondContact O-N 3.35Å; A88-T92 PolarHBondContact O-OG1 3.05Å; Y89-T92 PolarHBondContact O-N 2.95Å; Y89-T92 VanDerWaalsContact O-N 3.14Å; T92-H94 PolarHBondContact O-N 3.24Å; T92-H94 VanDerWaalsContact O-N 3.13Å; T92-H94 PolarHBondContact OG1-N 3.44Å; T92-H94 PolarHBondContact OG1-O 3.3Å
93	G	91	Very high	93	Very high	50 Å²	50	44.9 Å²	44.9	52%	0.515	27%	0.268	S	S	.	.	S	Bend	trans	66.1	0.2	-168.4	0	0	0	0	0	114.3	Y89	Y89-G93 WeakPolarHBondContact CE2-O 3.33Å; Y89-G93 WeakPolarHBondContact O-CA 3.39Å; Y89-G93 PolarHBondContact O-N 3.08Å
94	H	91.4	Very high	92.9	Very high	136 Å²	136	47.4 Å²	47.4	63%	0.63	28%	0.284	S	S	*	.			trans	-100	124.6	-179.6	-178	72.1	0	0	0	110.3	T92	T92-H94 PolarHBondContact O-N 3.24Å; T92-H94 VanDerWaalsContact O-N 3.13Å; T92-H94 PolarHBondContact OG1-N 3.44Å; T92-H94 PolarHBondContact OG1-O 3.3Å
95	L	93.9	Very high	92.9	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.084	26%	0.258	C	S	.	.			trans	-113.7	112.3	179.2	-171.2	66.3	0	0	0	109.9	I85 Y89 I97 L105 V117 Q120	I85-L95 HydrophobicContact CG2-CD1 3.69Å; Y89-L95 HydrophobicContact CD2-CB 3.88Å; Y89-L95 HydrophobicContact CD2-CD1 4.37Å; Y89-L95 HydrophobicContact CE2-CB 4.39Å; Y89-L95 HydrophobicContact CG-CD1 4.35Å; L95-I97 HydrophobicContact CD2-CD1 3.75Å; L95-I97 HydrophobicContact CD2-CG1 3.87Å; L95-I97 HydrophobicContact CG-CD1 4.25Å; L95-I97 HydrophobicContact CG-CG1 3.81Å; L95-I97 PolarHBondContact O-N 3.45Å; L95-L105 HydrophobicContact CD1-CD2 4.14Å; L95-V117 HydrophobicContact CD1-CG1 4.21Å; L95-V117 HydrophobicContact CD1-CG2 4.22Å; L95-V117 HydrophobicContact CD2-CB 4.27Å; L95-V117 HydrophobicContact CD2-CG1 3.9Å; L95-V117 HydrophobicContact CD2-CG2 4.19Å; L95-Q120 HydrophobicContact CD2-CB 3.85Å
96	A	88.6	Confident	92.8	Very high	61 Å²	61	39.9 Å²	39.9	50%	0.504	25%	0.25	S	C	.	.			trans	-88	105.5	174.3	0	0	0	0	0	109.7
97	I	91.9	Very high	92.7	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.2	27%	0.271	C	S	.	.			trans	-103.7	137.5	178.3	-52.5	178.6	0	0	0	109.4	L95 V102 L105 Q120 Y124	L95-I97 HydrophobicContact CD2-CD1 3.75Å; L95-I97 HydrophobicContact CD2-CG1 3.87Å; L95-I97 HydrophobicContact CG-CD1 4.25Å; L95-I97 HydrophobicContact CG-CG1 3.81Å; L95-I97 PolarHBondContact O-N 3.45Å; I97-V102 HydrophobicContact CG2-CB 3.67Å; I97-V102 HydrophobicContact CG2-CG2 3.69Å; I97-L105 HydrophobicContact CG1-CD2 4.48Å; I97-Q120 HydrophobicContact CD1-CB 4.01Å; I97-Y124 HydrophobicContact CB-CD2 4.21Å; I97-Y124 HydrophobicContact CB-CE2 4.38Å; I97-Y124 HydrophobicContact CG2-CD1 3.84Å; I97-Y124 HydrophobicContact CG2-CD2 3.79Å; I97-Y124 HydrophobicContact CG2-CE1 4.06Å; I97-Y124 HydrophobicContact CG2-CE2 4.02Å; I97-Y124 HydrophobicContact CG2-CG 3.68Å
98	S	91.1	Very high	92.6	Very high	43 Å²	43	44.7 Å²	44.7	30%	0.301	27%	0.273	S	S	.	.			trans	-137.3	161.6	173.1	70.3	0	0	0	0	110.7	S100 T101 V102	S98-S100 PolarHBondContact O-N 2.98Å; S98-S100 PolarHBondContact OG-OG 3.47Å; S98-T101 PolarHBondContact N-OG1 3Å; S98-T101 PolarHBondContact O-N 3.2Å; S98-T101 VanDerWaalsContact O-N 3.08Å; S98-T101 PolarHBondContact O-OG1 3.14Å; S98-T101 WeakPolarHBondContact OG-CG2 3.35Å; S98-T101 PolarHBondContact OG-N 2.69Å; S98-T101 PolarHBondContact OG-OG1 3.28Å; S98-V102 WeakPolarHBondContact O-CB 3.5Å; S98-V102 PolarHBondContact O-N 3.46Å
99	D	87.8	Confident	92.6	Very high	98 Å²	98	42.9 Å²	42.9	52%	0.524	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.7	179.3	-66	-35.8	0	0	0	112.9	Y124	D99-Y124 PolarHBondContact N-OH 2.89Å; D99-Y124 WeakPolarHBondContact OD1-CE1 3.36Å; D99-Y124 PolarHBondContact OD1-OH 3.28Å
100	S	89.1	Confident	92.5	Very high	101 Å²	101	43.9 Å²	43.9	71%	0.706	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-23.4	179.2	54.7	0	0	0	0	114.1	S98	S98-S100 PolarHBondContact O-N 2.98Å; S98-S100 PolarHBondContact OG-OG 3.47Å
101	T	90.9	Very high	92.4	Very high	38 Å²	38	47.2 Å²	47.2	23%	0.233	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-19.4	-174.5	59	0	0	0	0	113.5	I85 S98 E103 P104 L105	I85-T101 HydrophobicContact CD1-CG2 4.47Å; S98-T101 PolarHBondContact N-OG1 3Å; S98-T101 PolarHBondContact O-N 3.2Å; S98-T101 VanDerWaalsContact O-N 3.08Å; S98-T101 PolarHBondContact O-OG1 3.14Å; S98-T101 WeakPolarHBondContact OG-CG2 3.35Å; S98-T101 PolarHBondContact OG-N 2.69Å; S98-T101 PolarHBondContact OG-OG1 3.28Å; T101-E103 PolarHBondContact O-N 3.14Å; T101-P104 WeakPolarHBondContact O-CD 3.41Å; T101-L105 WeakPolarHBondContact O-CB 3.29Å; T101-L105 PolarHBondContact O-N 2.79Å
102	V	93.6	Very high	92.4	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-40.2	-169.8	63.9	0	0	0	0	113.7	I97 S98 Y106 C121 Y124 L125	I97-V102 HydrophobicContact CG2-CB 3.67Å; I97-V102 HydrophobicContact CG2-CG2 3.69Å; S98-V102 WeakPolarHBondContact O-CB 3.5Å; S98-V102 PolarHBondContact O-N 3.46Å; V102-Y106 VanDerWaalsContact O-CB 3.3Å; V102-Y106 WeakPolarHBondContact O-CB 3.3Å; V102-Y106 PolarHBondContact O-N 2.86Å; V102-C121 HydrophobicContact CG2-CB 4.03Å; V102-Y124 HydrophobicContact CB-CD1 4.12Å; V102-Y124 HydrophobicContact CB-CE1 4.32Å; V102-Y124 HydrophobicContact CG1-CD1 4.14Å; V102-Y124 HydrophobicContact CG1-CE1 4.12Å; V102-Y124 HydrophobicContact CG2-CD1 3.82Å; V102-Y124 HydrophobicContact CG2-CG 4.42Å; V102-L125 HydrophobicContact CB-CD2 4.29Å; V102-L125 HydrophobicContact CG1-CD2 3.58Å; V102-L125 HydrophobicContact CG2-CD1 4.34Å; V102-L125 HydrophobicContact CG2-CD2 3.75Å; V102-L125 HydrophobicContact CG2-CG 3.76Å
103	E	91.9	Very high	92.6	Very high	44 Å²	44	49.4 Å²	49.4	21%	0.206	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-52	-178.8	-53.4	177.4	-174.3	0	0	111.4	T101 L105 Y106 E107 L125 R136 M137 I140	T101-E103 PolarHBondContact O-N 3.14Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 3.32Å; E103-Y106 WeakPolarHBondContact O-CB 3.35Å; E103-Y106 PolarHBondContact O-N 3.47Å; E103-E107 PolarHBondContact O-N 3.31Å; E103-E107 VanDerWaalsContact O-N 3.13Å; E103-L125 HydrophobicContact CG-CD2 4.36Å; E103-R136 IonicContact OE1-CZ 3.93Å; E103-R136 IonicContact OE1-NE 3.79Å; E103-R136 PolarHBondContact OE1-NE 2.86Å; E103-R136 IonicContact OE1-NH2 3.7Å; E103-R136 PolarHBondContact OE1-NH2 3.22Å; E103-R136 IonicContact OE2-CZ 3.16Å; E103-R136 IonicContact OE2-NE 2.9Å; E103-R136 PolarHBondContact OE2-NE 3.49Å; E103-R136 IonicContact OE2-NH2 2.72Å; E103-M137 WeakPolarHBondContact OE1-CE 3.48Å; E103-I140 HydrophobicContact CB-CD1 4.32Å; E103-I140 HydrophobicContact CG-CD1 3.88Å
104	P	93.1	Very high	92.8	Very high	53 Å²	53	47.1 Å²	47.1	34%	0.344	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-33.8	175.6	-23.3	36.1	0	0	0	113.3	T82 T101 E107 T108	T82-P104 HydrophobicContact CG2-CB 3.67Å; T101-P104 WeakPolarHBondContact O-CD 3.41Å; P104-E107 PolarHBondContact O-N 3.48Å; P104-T108 WeakPolarHBondContact O-CB 3.42Å; P104-T108 PolarHBondContact O-N 3.02Å; P104-T108 PolarHBondContact O-OG1 2.94Å
105	L	95.3	Very high	93	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-40.7	176	178.9	62.9	0	0	0	111.3	T82 I85 I86 L95 I97 T101 E103 T108 A109 V117	T82-L105 HydrophobicContact CG2-CB 4.35Å; I85-L105 HydrophobicContact CB-CD1 4.26Å; I85-L105 HydrophobicContact CG2-CD1 3.96Å; I85-L105 HydrophobicContact CG2-CD2 4.15Å; I86-L105 HydrophobicContact CD1-CD1 4.05Å; I86-L105 HydrophobicContact CG1-CD1 3.66Å; L95-L105 HydrophobicContact CD1-CD2 4.14Å; I97-L105 HydrophobicContact CG1-CD2 4.48Å; T101-L105 WeakPolarHBondContact O-CB 3.29Å; T101-L105 PolarHBondContact O-N 2.79Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 3.32Å; L105-T108 PolarHBondContact O-N 3.34Å; L105-A109 VanDerWaalsContact O-CB 3.24Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-V117 HydrophobicContact CD1-CG1 4.16Å; L105-V117 HydrophobicContact CD2-CG1 4.46Å; L105-V117 HydrophobicContact CG-CG1 4.13Å
106	Y	94.3	Very high	93	Very high	13 Å²	13	50.1 Å²	50.1	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-47.4	175.8	-169.2	-86.8	0	0	0	111.2	V102 E103 T108 A109 C110 L118 C121 R122 L125 F144 C146	V102-Y106 VanDerWaalsContact O-CB 3.3Å; V102-Y106 WeakPolarHBondContact O-CB 3.3Å; V102-Y106 PolarHBondContact O-N 2.86Å; E103-Y106 WeakPolarHBondContact O-CB 3.35Å; E103-Y106 PolarHBondContact O-N 3.47Å; Y106-T108 PolarHBondContact O-N 2.78Å; Y106-A109 PolarHBondContact O-N 3.21Å; Y106-C110 WeakPolarHBondContact O-CB 3.47Å; Y106-C110 PolarHBondContact O-N 3.29Å; Y106-L118 HydrophobicContact CD1-CD2 4.32Å; Y106-L118 HydrophobicContact CD2-CD2 4.05Å; Y106-L118 HydrophobicContact CE1-CD2 4.11Å; Y106-L118 HydrophobicContact CE2-CD2 3.81Å; Y106-L118 HydrophobicContact CG-CD2 4.29Å; Y106-C121 HydrophobicContact CD2-CB 3.61Å; Y106-C121 HydrophobicContact CE2-CB 4.47Å; Y106-C121 HydrophobicContact CG-CB 4.47Å; Y106-R122 HydrophobicContact CE2-CB 4.1Å; Y106-L125 HydrophobicContact CD2-CD1 4.11Å; Y106-L125 HydrophobicContact CG-CD1 4.33Å; Y106-F144 HydrophobicContact CD1-CB 4.37Å; Y106-F144 AromaticContact CD1-CD2 3.92Å; Y106-F144 HydrophobicContact CD1-CD2 3.92Å; Y106-F144 HydrophobicContact CD1-CE2 4.43Å; Y106-F144 HydrophobicContact CD1-CG 4.1Å; Y106-F144 HydrophobicContact CE1-CB 3.68Å; Y106-F144 HydrophobicContact CE1-CD2 4.04Å; Y106-F144 AromaticContact CE1-CG 3.91Å; Y106-F144 HydrophobicContact CE1-CG 3.91Å; Y106-C146 WeakPolarHBondContact OH-CB 3.45Å; Y106-C146 PolarHBondContact OH-SG 2.99Å
107	E	93.2	Very high	93.3	Very high	104 Å²	104	47.2 Å²	47.2	49%	0.486	25%	0.254	S	S	.	.	H	α-helix	trans	-57.2	-49	175.7	177.3	172.1	-164.8	0	0	111.6	E103 P104 A109 C110 F111 F144	E103-E107 PolarHBondContact O-N 3.31Å; E103-E107 VanDerWaalsContact O-N 3.13Å; P104-E107 PolarHBondContact O-N 3.48Å; E107-A109 PolarHBondContact O-N 2.68Å; E107-C110 WeakPolarHBondContact O-CB 3.37Å; E107-C110 PolarHBondContact O-N 3.37Å; E107-F111 PolarHBondContact O-N 2.97Å; E107-F144 HydrophobicContact CB-CE1 4Å; E107-F144 HydrophobicContact CB-CE2 4.4Å; E107-F144 HydrophobicContact CB-CZ 3.56Å; E107-F144 HydrophobicContact CG-CE1 3.84Å; E107-F144 HydrophobicContact CG-CZ 3.66Å
108	T	94.4	Very high	93.5	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-41.8	-179.5	-52.3	0	0	0	0	111.6	V78 T82 I86 P104 L105 Y106 C110 F111 L112	V78-T108 HydrophobicContact CG1-CG2 3.68Å; T82-T108 WeakPolarHBondContact CB-OG1 3.18Å; T82-T108 WeakPolarHBondContact OG1-CB 3.46Å; T82-T108 PolarHBondContact OG1-OG1 2.96Å; I86-T108 HydrophobicContact CD1-CG2 3.61Å; P104-T108 WeakPolarHBondContact O-CB 3.42Å; P104-T108 PolarHBondContact O-N 3.02Å; P104-T108 PolarHBondContact O-OG1 2.94Å; L105-T108 PolarHBondContact O-N 3.34Å; Y106-T108 PolarHBondContact O-N 2.78Å; T108-C110 VanDerWaalsContact C-N 3.29Å; T108-C110 PolarHBondContact O-N 3.38Å; T108-F111 PolarHBondContact O-N 3.38Å; T108-L112 HydrophobicContact CG2-CD1 3.89Å; T108-L112 HydrophobicContact CG2-CG 4.36Å; T108-L112 WeakPolarHBondContact O-CB 3.41Å; T108-L112 WeakPolarHBondContact O-CG 3.41Å; T108-L112 PolarHBondContact O-N 3.21Å
109	A	95.1	Very high	93.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-31.8	176.6	0	0	0	0	0	112.2	I86 L105 Y106 E107 Q113 V114 V117 L118	I86-A109 HydrophobicContact CD1-CB 4.19Å; L105-A109 VanDerWaalsContact O-CB 3.24Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.49Å; Y106-A109 PolarHBondContact O-N 3.21Å; E107-A109 PolarHBondContact O-N 2.68Å; A109-Q113 WeakPolarHBondContact O-CA 3.42Å; A109-Q113 PolarHBondContact O-N 3.18Å; A109-V114 HydrophobicContact CB-CB 4.45Å; A109-V114 PolarHBondContact O-N 3.21Å; A109-V117 HydrophobicContact CB-CB 4.03Å; A109-V117 HydrophobicContact CB-CG1 3.62Å; A109-L118 HydrophobicContact CB-CD2 3.88Å; A109-L118 HydrophobicContact CB-CG 3.94Å
110	C	93.7	Very high	94	Very high	46 Å²	46	46.2 Å²	46.2	31%	0.311	24%	0.243	S	C	.	.	H	α-helix	trans	-66.8	-49.5	174	-170.7	0	0	0	0	110.4	Y106 E107 T108 L112 Q113 L118 F144	Y106-C110 WeakPolarHBondContact O-CB 3.47Å; Y106-C110 PolarHBondContact O-N 3.29Å; E107-C110 WeakPolarHBondContact O-CB 3.37Å; E107-C110 PolarHBondContact O-N 3.37Å; T108-C110 VanDerWaalsContact C-N 3.29Å; T108-C110 PolarHBondContact O-N 3.38Å; C110-L112 PolarHBondContact O-N 2.85Å; C110-Q113 PolarHBondContact O-N 3.16Å; C110-L118 HydrophobicContact CB-CD2 3.95Å; C110-F144 HydrophobicContact CB-CD1 4.1Å
111	F	93.7	Very high	94.3	Very high	88 Å²	88	41.4 Å²	41.4	39%	0.386	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-46.7	176.8	177	-105	0	0	0	112	Y56 V78 E107 T108 Q113	Y56-F111 HydrophobicContact CE2-CZ 4.47Å; V78-F111 HydrophobicContact CG2-CD1 3.58Å; V78-F111 HydrophobicContact CG2-CE1 3.69Å; E107-F111 PolarHBondContact O-N 2.97Å; T108-F111 PolarHBondContact O-N 3.38Å; F111-Q113 VanDerWaalsContact C-N 3.27Å; F111-Q113 PolarHBondContact O-N 3.42Å
112	L	95	Very high	94.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.6	179.7	-61.3	179.3	0	0	0	113.6	S54 Y56 F57 L75 L83 I86 T108 C110 V114	S54-L112 WeakPolarHBondContact CB-O 3.44Å; S54-L112 PolarHBondContact OG-O 3.49Å; Y56-L112 VanDerWaalsContact CB-O 3.3Å; Y56-L112 WeakPolarHBondContact CB-O 3.02Å; Y56-L112 HydrophobicContact CD1-CD2 3.93Å; Y56-L112 HydrophobicContact CE1-CD2 4.14Å; F57-L112 HydrophobicContact CE2-CD1 4.27Å; F57-L112 HydrophobicContact CE2-CD2 4.01Å; F57-L112 HydrophobicContact CZ-CD2 3.83Å; L75-L112 HydrophobicContact CD1-CD2 4.43Å; L83-L112 HydrophobicContact CD1-CD1 3.74Å; I86-L112 HydrophobicContact CD1-CD1 4.06Å; I86-L112 HydrophobicContact CG2-CD1 4.42Å; T108-L112 HydrophobicContact CG2-CD1 3.89Å; T108-L112 HydrophobicContact CG2-CG 4.36Å; T108-L112 WeakPolarHBondContact O-CB 3.41Å; T108-L112 WeakPolarHBondContact O-CG 3.41Å; T108-L112 PolarHBondContact O-N 3.21Å; C110-L112 PolarHBondContact O-N 2.85Å; L112-V114 HydrophobicContact CB-CG2 3.95Å; L112-V114 PolarHBondContact O-N 2.86Å
113	Q	95.5	Very high	94.5	Very high	99 Å²	99	45 Å²	45	46%	0.463	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	52	179.7	-55.6	177.8	3.9	0	0	113.3	S55 A109 C110 F111	S55-Q113 PolarHBondContact N-O 2.89Å; A109-Q113 WeakPolarHBondContact O-CA 3.42Å; A109-Q113 PolarHBondContact O-N 3.18Å; C110-Q113 PolarHBondContact O-N 3.16Å; F111-Q113 VanDerWaalsContact C-N 3.27Å; F111-Q113 PolarHBondContact O-N 3.42Å
114	V	96.5	Very high	94.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.225	C	C	.	.			trans	-100.1	87.8	177.2	-172.3	0	0	0	0	109.3	I86 Y89 A109 L112 D116 V117 L118	I86-V114 HydrophobicContact CG2-CG2 3.95Å; Y89-V114 HydrophobicContact CE1-CG1 4.39Å; A109-V114 HydrophobicContact CB-CB 4.45Å; A109-V114 PolarHBondContact O-N 3.21Å; L112-V114 HydrophobicContact CB-CG2 3.95Å; L112-V114 PolarHBondContact O-N 2.86Å; V114-D116 PolarHBondContact O-N 3.35Å; V114-V117 HydrophobicContact CB-CB 4.23Å; V114-V117 HydrophobicContact CB-CG2 4.34Å; V114-V117 HydrophobicContact CG1-CB 3.81Å; V114-V117 HydrophobicContact CG1-CG2 3.46Å; V114-V117 VanDerWaalsContact CG1-CG2 3.46Å; V114-V117 PolarHBondContact O-N 3.4Å; V114-L118 PolarHBondContact O-N 3.45Å
115	E	93.9	Very high	94.5	Very high	123 Å²	123	43.4 Å²	43.4	58%	0.575	21%	0.209	S	C	*	.	H	α-helix	trans	-59.5	-42.7	-168	-169	61.2	-149	0	0	113.8	V117 L118 L119	E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 3.28Å; E115-L118 WeakPolarHBondContact O-CB 3.41Å; E115-L118 PolarHBondContact O-N 2.98Å; E115-L119 WeakPolarHBondContact O-CB 3.39Å; E115-L119 PolarHBondContact O-N 2.87Å
116	D	94.5	Very high	94.4	Very high	91 Å²	91	45.1 Å²	45.1	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-37	-179.4	-66.3	-33.5	0	0	0	112.1	Y89 V114 L119 Q120	Y89-D116 HydrophobicContact CE1-CB 4.43Å; Y89-D116 WeakPolarHBondContact OH-CB 3.47Å; Y89-D116 PolarHBondContact OH-OD2 3.09Å; V114-D116 PolarHBondContact O-N 3.35Å; D116-L119 PolarHBondContact O-N 3.47Å; D116-Q120 WeakPolarHBondContact O-CG 3.3Å; D116-Q120 PolarHBondContact O-N 3.47Å
117	V	95.9	Very high	94.2	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-42.4	176.2	175.7	0	0	0	0	109.8	Y89 L95 L105 A109 V114 E115 L119 Q120 C121	Y89-V117 HydrophobicContact CD1-CG2 3.44Å; Y89-V117 VanDerWaalsContact CD1-CG2 3.44Å; Y89-V117 HydrophobicContact CE1-CG2 3.6Å; Y89-V117 HydrophobicContact CG-CG2 3.93Å; L95-V117 HydrophobicContact CD1-CG1 4.21Å; L95-V117 HydrophobicContact CD1-CG2 4.22Å; L95-V117 HydrophobicContact CD2-CB 4.27Å; L95-V117 HydrophobicContact CD2-CG1 3.9Å; L95-V117 HydrophobicContact CD2-CG2 4.19Å; L105-V117 HydrophobicContact CD1-CG1 4.16Å; L105-V117 HydrophobicContact CD2-CG1 4.46Å; L105-V117 HydrophobicContact CG-CG1 4.13Å; A109-V117 HydrophobicContact CB-CB 4.03Å; A109-V117 HydrophobicContact CB-CG1 3.62Å; V114-V117 HydrophobicContact CB-CB 4.23Å; V114-V117 HydrophobicContact CB-CG2 4.34Å; V114-V117 HydrophobicContact CG1-CB 3.81Å; V114-V117 HydrophobicContact CG1-CG2 3.46Å; V114-V117 VanDerWaalsContact CG1-CG2 3.46Å; V114-V117 PolarHBondContact O-N 3.4Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 3.28Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.41Å; V117-Q120 PolarHBondContact O-N 2.57Å; V117-C121 WeakPolarHBondContact O-CB 3.24Å; V117-C121 PolarHBondContact O-N 2.88Å; V117-C121 PolarHBondContact O-SG 3.27Å
118	L	94.6	Very high	94	Very high	18 Å²	18	49.4 Å²	49.4	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-46.1	173.5	-75.5	173.5	0	0	0	111.9	Y106 A109 C110 V114 E115 C121 R122	Y106-L118 HydrophobicContact CD1-CD2 4.32Å; Y106-L118 HydrophobicContact CD2-CD2 4.05Å; Y106-L118 HydrophobicContact CE1-CD2 4.11Å; Y106-L118 HydrophobicContact CE2-CD2 3.81Å; Y106-L118 HydrophobicContact CG-CD2 4.29Å; A109-L118 HydrophobicContact CB-CD2 3.88Å; A109-L118 HydrophobicContact CB-CG 3.94Å; C110-L118 HydrophobicContact CB-CD2 3.95Å; V114-L118 PolarHBondContact O-N 3.45Å; E115-L118 WeakPolarHBondContact O-CB 3.41Å; E115-L118 PolarHBondContact O-N 2.98Å; L118-C121 PolarHBondContact O-N 2.88Å; L118-R122 WeakPolarHBondContact O-CB 3.2Å; L118-R122 PolarHBondContact O-N 3.18Å
119	L	94.4	Very high	93.9	Very high	65 Å²	65	49.7 Å²	49.7	34%	0.34	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-47	178.4	177.6	61.4	0	0	0	111.5	E115 D116 V117 R122 N123	E115-L119 WeakPolarHBondContact O-CB 3.39Å; E115-L119 PolarHBondContact O-N 2.87Å; D116-L119 PolarHBondContact O-N 3.47Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.41Å; L119-R122 VanDerWaalsContact CD1-CZ 3.45Å; L119-R122 PolarHBondContact O-N 2.89Å; L119-N123 WeakPolarHBondContact O-CB 3.43Å; L119-N123 PolarHBondContact O-N 2.91Å; L119-N123 PolarHBondContact O-ND2 3.43Å
120	Q	95.3	Very high	93.7	Very high	76 Å²	76	50.7 Å²	50.7	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-66.8	-43.3	179.6	-71.1	-175	48.5	0	0	112.2	L95 I97 D116 V117 N123 Y124	L95-Q120 HydrophobicContact CD2-CB 3.85Å; I97-Q120 HydrophobicContact CD1-CB 4.01Å; D116-Q120 WeakPolarHBondContact O-CG 3.3Å; D116-Q120 PolarHBondContact O-N 3.47Å; V117-Q120 PolarHBondContact O-N 2.57Å; Q120-N123 PolarHBondContact O-N 3.11Å; Q120-Y124 WeakPolarHBondContact O-CB 3.49Å; Q120-Y124 PolarHBondContact O-N 2.81Å
121	C	95.4	Very high	93.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-42.1	176.2	-65.5	0	0	0	0	111.3	V102 Y106 V117 L118 N123 Y124 L125	V102-C121 HydrophobicContact CG2-CB 4.03Å; Y106-C121 HydrophobicContact CD2-CB 3.61Å; Y106-C121 HydrophobicContact CE2-CB 4.47Å; Y106-C121 HydrophobicContact CG-CB 4.47Å; V117-C121 WeakPolarHBondContact O-CB 3.24Å; V117-C121 PolarHBondContact O-N 2.88Å; V117-C121 PolarHBondContact O-SG 3.27Å; L118-C121 PolarHBondContact O-N 2.88Å; C121-N123 PolarHBondContact O-N 3.37Å; C121-Y124 WeakPolarHBondContact O-CB 3.45Å; C121-Y124 PolarHBondContact O-N 2.94Å; C121-L125 VanDerWaalsContact O-CG 3.28Å; C121-L125 WeakPolarHBondContact O-CG 3.22Å; C121-L125 PolarHBondContact O-N 3.15Å
122	R	94.8	Very high	93.5	Very high	54 Å²	54	50.5 Å²	50.5	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-50.5	173.8	-176.3	179.4	81.4	-142.7	12.3	111.7	Y106 L118 L119 Y124 L125 V126 C146 E148	Y106-R122 HydrophobicContact CE2-CB 4.1Å; L118-R122 WeakPolarHBondContact O-CB 3.2Å; L118-R122 PolarHBondContact O-N 3.18Å; L119-R122 VanDerWaalsContact CD1-CZ 3.45Å; L119-R122 PolarHBondContact O-N 2.89Å; R122-Y124 PolarHBondContact O-N 3.39Å; R122-L125 PolarHBondContact O-N 3.07Å; R122-V126 HydrophobicContact CG-CG2 4.34Å; R122-V126 WeakPolarHBondContact O-CB 3.36Å; R122-V126 WeakPolarHBondContact O-CG2 3.36Å; R122-V126 PolarHBondContact O-N 3.26Å; R122-C146 WeakPolarHBondContact CD-SG 3.39Å; R122-E148 IonicContact CZ-OE2 2.73Å; R122-E148 IonicContact NE-OE2 3.85Å; R122-E148 PolarHBondContact NE-OE2 2.9Å; R122-E148 IonicContact NH2-OE2 3.51Å; R122-E148 PolarHBondContact NH2-OE2 2.85Å
123	N	93.6	Very high	93.4	Very high	64 Å²	64	51.8 Å²	51.8	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-35.5	179.4	-70.7	-19.3	0	0	0	111.9	L119 Q120 C121 K127	L119-N123 WeakPolarHBondContact O-CB 3.43Å; L119-N123 PolarHBondContact O-N 2.91Å; L119-N123 PolarHBondContact O-ND2 3.43Å; Q120-N123 PolarHBondContact O-N 3.11Å; C121-N123 PolarHBondContact O-N 3.37Å; N123-K127 WeakPolarHBondContact O-CD 3.32Å; N123-K127 VanDerWaalsContact O-CG 3.24Å; N123-K127 WeakPolarHBondContact O-CG 3.37Å; N123-K127 PolarHBondContact O-N 3.33Å
124	Y	92.8	Very high	93.4	Very high	60 Å²	60	47 Å²	47	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-51.9	174.3	-171.5	-86	0	0	0	111.4	I97 D99 V102 Q120 C121 R122 V126 K127 K128	I97-Y124 HydrophobicContact CB-CD2 4.21Å; I97-Y124 HydrophobicContact CB-CE2 4.38Å; I97-Y124 HydrophobicContact CG2-CD1 3.84Å; I97-Y124 HydrophobicContact CG2-CD2 3.79Å; I97-Y124 HydrophobicContact CG2-CE1 4.06Å; I97-Y124 HydrophobicContact CG2-CE2 4.02Å; I97-Y124 HydrophobicContact CG2-CG 3.68Å; D99-Y124 PolarHBondContact N-OH 2.89Å; D99-Y124 WeakPolarHBondContact OD1-CE1 3.36Å; D99-Y124 PolarHBondContact OD1-OH 3.28Å; V102-Y124 HydrophobicContact CB-CD1 4.12Å; V102-Y124 HydrophobicContact CB-CE1 4.32Å; V102-Y124 HydrophobicContact CG1-CD1 4.14Å; V102-Y124 HydrophobicContact CG1-CE1 4.12Å; V102-Y124 HydrophobicContact CG2-CD1 3.82Å; V102-Y124 HydrophobicContact CG2-CG 4.42Å; Q120-Y124 WeakPolarHBondContact O-CB 3.49Å; Q120-Y124 PolarHBondContact O-N 2.81Å; C121-Y124 WeakPolarHBondContact O-CB 3.45Å; C121-Y124 PolarHBondContact O-N 2.94Å; R122-Y124 PolarHBondContact O-N 3.39Å; Y124-V126 PolarHBondContact O-N 3.2Å; Y124-K127 PolarHBondContact O-N 2.91Å; Y124-K128 HydrophobicContact CD1-CG 4.47Å; Y124-K128 HydrophobicContact CE1-CG 4.19Å; Y124-K128 PolarHBondContact O-N 3Å
125	L	93.8	Very high	93.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-47.4	-179.7	-68.8	171.6	0	0	0	111.7	V102 E103 Y106 C121 R122 K127 K128 I129 M137 L149	V102-L125 HydrophobicContact CB-CD2 4.29Å; V102-L125 HydrophobicContact CG1-CD2 3.58Å; V102-L125 HydrophobicContact CG2-CD1 4.34Å; V102-L125 HydrophobicContact CG2-CD2 3.75Å; V102-L125 HydrophobicContact CG2-CG 3.76Å; E103-L125 HydrophobicContact CG-CD2 4.36Å; Y106-L125 HydrophobicContact CD2-CD1 4.11Å; Y106-L125 HydrophobicContact CG-CD1 4.33Å; C121-L125 VanDerWaalsContact O-CG 3.28Å; C121-L125 WeakPolarHBondContact O-CG 3.22Å; C121-L125 PolarHBondContact O-N 3.15Å; R122-L125 PolarHBondContact O-N 3.07Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 3.33Å; L125-K128 PolarHBondContact O-N 2.98Å; L125-K128 VanDerWaalsContact O-N 3.1Å; L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 3.26Å; L125-M137 HydrophobicContact CB-SD 4.32Å; L125-M137 HydrophobicContact CD2-CE 3.9Å; L125-M137 HydrophobicContact CD2-SD 3.79Å; L125-L149 HydrophobicContact CB-CD1 3.78Å; L125-L149 HydrophobicContact CB-CD2 4.41Å; L125-L149 HydrophobicContact CD1-CD2 3.94Å
126	V	93.1	Very high	93.5	Very high	37 Å²	37	47.6 Å²	47.6	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-40.7	179.5	169.7	0	0	0	0	111.7	R122 Y124 K128 L149	R122-V126 HydrophobicContact CG-CG2 4.34Å; R122-V126 WeakPolarHBondContact O-CB 3.36Å; R122-V126 WeakPolarHBondContact O-CG2 3.36Å; R122-V126 PolarHBondContact O-N 3.26Å; Y124-V126 PolarHBondContact O-N 3.2Å; V126-K128 VanDerWaalsContact C-N 3.29Å; V126-K128 PolarHBondContact O-N 3.04Å; V126-L149 HydrophobicContact CG2-CB 4.37Å; V126-L149 HydrophobicContact CG2-CD1 3.9Å
127	K	89.1	Confident	93.6	Very high	156 Å²	156	43.6 Å²	43.6	68%	0.678	20%	0.2	S	C	*	.	H	α-helix	trans	-66.6	-30.7	178.2	-75.9	175.3	-178.9	-177	0	113	N123 Y124 L125	N123-K127 WeakPolarHBondContact O-CD 3.32Å; N123-K127 VanDerWaalsContact O-CG 3.24Å; N123-K127 WeakPolarHBondContact O-CG 3.37Å; N123-K127 PolarHBondContact O-N 3.33Å; Y124-K127 PolarHBondContact O-N 2.91Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 3.33Å
128	K	89.4	Confident	93.6	Very high	51 Å²	51	43.6 Å²	43.6	22%	0.222	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.5	-176	-72.3	-67.1	-165.6	175.2	0	114	Y124 L125 V126 N130 N133 K415	Y124-K128 HydrophobicContact CD1-CG 4.47Å; Y124-K128 HydrophobicContact CE1-CG 4.19Å; Y124-K128 PolarHBondContact O-N 3Å; L125-K128 PolarHBondContact O-N 2.98Å; L125-K128 VanDerWaalsContact O-N 3.1Å; V126-K128 VanDerWaalsContact C-N 3.29Å; V126-K128 PolarHBondContact O-N 3.04Å; K128-N130 PolarHBondContact O-N 3.04Å; K128-N133 PolarHBondContact O-ND2 3.48Å; K128-K415 PolarHBondContact NZ-O 2.91Å
129	I	91.9	Very high	93.7	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.056	21%	0.209	C	C	.	.			trans	-63.2	125.7	175.2	-65.6	169	0	0	0	110.1	L125 N133 C134 M137 L149 A153 M156	L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 3.26Å; I129-N133 WeakPolarHBondContact CA-OD1 3.35Å; I129-C134 HydrophobicContact CG2-CB 3.98Å; I129-M137 HydrophobicContact CG1-CB 4.32Å; I129-M137 HydrophobicContact CG1-CG 4.22Å; I129-L149 HydrophobicContact CD1-CD1 4.11Å; I129-A153 HydrophobicContact CD1-CB 4.24Å; I129-M156 HydrophobicContact CG2-CB 3.5Å; I129-M156 HydrophobicContact CG2-CE 4.27Å; I129-M156 HydrophobicContact CG2-CG 3.7Å
130	N	90.9	Very high	93.7	Very high	20 Å²	20	42.5 Å²	42.5	11%	0.107	20%	0.198	C	C	.	.			trans	-139.4	-174.2	176.5	65.7	26.1	0	0	0	110.6	K128 E132 N133 C134 E414	K128-N130 PolarHBondContact O-N 3.04Å; N130-E132 VanDerWaalsContact C-N 3.29Å; N130-E132 PolarHBondContact O-N 3.03Å; N130-E132 PolarHBondContact OD1-N 3.43Å; N130-N133 PolarHBondContact N-OD1 3.25Å; N130-N133 PolarHBondContact O-OD1 3.02Å; N130-N133 PolarHBondContact OD1-N 2.81Å; N130-N133 PolarHBondContact OD1-OD1 3.41Å; N130-C134 WeakPolarHBondContact O-CB 3.42Å; N130-C134 PolarHBondContact O-N 3.37Å; N130-C134 VanDerWaalsContact O-N 3.11Å; N130-C134 PolarHBondContact O-SG 2.89Å; N130-E414 PolarHBondContact ND2-O 2.96Å
131	A	91.3	Very high	93.7	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24	-177.5	0	0	0	0	0	113.2	K160 Q167	A131-K160 HydrophobicContact CB-CB 4.23Å; A131-K160 HydrophobicContact CB-CG 4.09Å; A131-Q167 PolarHBondContact O-NE2 2.87Å
132	E	91.8	Very high	93.7	Very high	125 Å²	125	41.2 Å²	41.2	58%	0.584	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-34.6	-178.9	-67.5	-178.4	172.1	0	0	112.9	N130 E414	N130-E132 VanDerWaalsContact C-N 3.29Å; N130-E132 PolarHBondContact O-N 3.03Å; N130-E132 PolarHBondContact OD1-N 3.43Å; E132-E414 HydrophobicContact CG-CG 4.45Å
133	N	93.4	Very high	93.6	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.144	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-10.4	-173.4	72.4	17.6	0	0	0	114.6	K128 I129 N130 V135 R136 M137	K128-N133 PolarHBondContact O-ND2 3.48Å; I129-N133 WeakPolarHBondContact CA-OD1 3.35Å; N130-N133 PolarHBondContact N-OD1 3.25Å; N130-N133 PolarHBondContact O-OD1 3.02Å; N130-N133 PolarHBondContact OD1-N 2.81Å; N130-N133 PolarHBondContact OD1-OD1 3.41Å; N133-V135 VanDerWaalsContact C-N 3.26Å; N133-V135 PolarHBondContact O-N 2.98Å; N133-V135 VanDerWaalsContact O-N 3.15Å; N133-R136 PolarHBondContact O-N 3.35Å; N133-M137 HydrophobicContact CB-CE 4.32Å; N133-M137 HydrophobicContact CB-CG 4.46Å; N133-M137 WeakPolarHBondContact O-CG 3.29Å; N133-M137 PolarHBondContact O-N 2.99Å
134	C	95.9	Very high	93.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-36.3	-171.3	58	0	0	0	0	113.7	I129 N130 M137 L138 A153 M156 V157	I129-C134 HydrophobicContact CG2-CB 3.98Å; N130-C134 WeakPolarHBondContact O-CB 3.42Å; N130-C134 PolarHBondContact O-N 3.37Å; N130-C134 VanDerWaalsContact O-N 3.11Å; N130-C134 PolarHBondContact O-SG 2.89Å; C134-M137 PolarHBondContact O-N 3.4Å; C134-L138 WeakPolarHBondContact O-CB 3.34Å; C134-L138 PolarHBondContact O-N 3.28Å; C134-A153 WeakPolarHBondContact O-CB 3.44Å; C134-M156 HydrophobicContact CB-CB 3.74Å; C134-M156 HydrophobicContact CB-CG 3.58Å; C134-V157 HydrophobicContact CB-CG2 3.98Å
135	V	97.4	Very high	93.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-41.7	177.5	-173.6	0	0	0	0	111.5	N133 M137 L138 S139 V157 V164 A169 F170 L173	N133-V135 VanDerWaalsContact C-N 3.26Å; N133-V135 PolarHBondContact O-N 2.98Å; N133-V135 VanDerWaalsContact O-N 3.15Å; V135-M137 VanDerWaalsContact C-N 3.35Å; V135-L138 WeakPolarHBondContact O-CB 3.29Å; V135-L138 PolarHBondContact O-N 3Å; V135-S139 PolarHBondContact O-N 3.5Å; V135-S139 PolarHBondContact O-OG 3.04Å; V135-V157 HydrophobicContact CG2-CG2 4.07Å; V135-V164 HydrophobicContact CG2-CG1 3.07Å; V135-A169 HydrophobicContact CB-CB 3.96Å; V135-A169 HydrophobicContact CG1-CB 3.99Å; V135-A169 WeakPolarHBondContact CG1-O 3.39Å; V135-F170 HydrophobicContact CG1-CB 4.43Å; V135-F170 HydrophobicContact CG2-CB 4.36Å; V135-F170 HydrophobicContact CG2-CD2 4.46Å; V135-L173 HydrophobicContact CG1-CD1 4.02Å; V135-L173 HydrophobicContact CG1-CD2 3.76Å; V135-L173 HydrophobicContact CG1-CG 3.84Å
136	R	94.8	Very high	93.5	Very high	136 Å²	136	46.5 Å²	46.5	51%	0.513	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-43.8	175.9	-171.9	165.9	79.3	-165.4	3.1	110.6	E103 N133 L138 S139 I140	E103-R136 IonicContact OE1-CZ 3.93Å; E103-R136 IonicContact OE1-NE 3.79Å; E103-R136 PolarHBondContact OE1-NE 2.86Å; E103-R136 IonicContact OE1-NH2 3.7Å; E103-R136 PolarHBondContact OE1-NH2 3.22Å; E103-R136 IonicContact OE2-CZ 3.16Å; E103-R136 IonicContact OE2-NE 2.9Å; E103-R136 PolarHBondContact OE2-NE 3.49Å; E103-R136 IonicContact OE2-NH2 2.72Å; N133-R136 PolarHBondContact O-N 3.35Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3.38Å; R136-S139 PolarHBondContact O-N 3.25Å; R136-I140 HydrophobicContact CG-CD1 4.06Å; R136-I140 WeakPolarHBondContact O-CG1 3.4Å; R136-I140 PolarHBondContact O-N 3.44Å
137	M	95.6	Very high	93.5	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-35.1	175.7	-64.5	-58.6	153.7	0	0	112.5	E103 L125 I129 N133 C134 V135 I140 G141 L149 A153	E103-M137 WeakPolarHBondContact OE1-CE 3.48Å; L125-M137 HydrophobicContact CB-SD 4.32Å; L125-M137 HydrophobicContact CD2-CE 3.9Å; L125-M137 HydrophobicContact CD2-SD 3.79Å; I129-M137 HydrophobicContact CG1-CB 4.32Å; I129-M137 HydrophobicContact CG1-CG 4.22Å; N133-M137 HydrophobicContact CB-CE 4.32Å; N133-M137 HydrophobicContact CB-CG 4.46Å; N133-M137 WeakPolarHBondContact O-CG 3.29Å; N133-M137 PolarHBondContact O-N 2.99Å; C134-M137 PolarHBondContact O-N 3.4Å; V135-M137 VanDerWaalsContact C-N 3.35Å; M137-I140 HydrophobicContact SD-CD1 4.41Å; M137-G141 PolarHBondContact O-N 3.43Å; M137-L149 HydrophobicContact CB-CD1 4.3Å; M137-A153 HydrophobicContact CB-CB 3.86Å
138	L	97.3	Very high	93.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-48.2	174	180	68.1	0	0	0	110.9	C134 V135 R136 G141 D142 K150 A153 K154 V157 L173 L177 I181	C134-L138 WeakPolarHBondContact O-CB 3.34Å; C134-L138 PolarHBondContact O-N 3.28Å; V135-L138 WeakPolarHBondContact O-CB 3.29Å; V135-L138 PolarHBondContact O-N 3Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3.38Å; L138-G141 PolarHBondContact O-N 3Å; L138-D142 PolarHBondContact O-N 2.97Å; L138-K150 HydrophobicContact CD1-CG 3.65Å; L138-K150 VanDerWaalsContact CD1-O 3.31Å; L138-K150 WeakPolarHBondContact CD1-O 3.24Å; L138-A153 HydrophobicContact CB-CB 3.84Å; L138-A153 HydrophobicContact CD1-CB 4.4Å; L138-K154 HydrophobicContact CD1-CB 3.84Å; L138-V157 HydrophobicContact CD2-CG2 4.46Å; L138-L173 HydrophobicContact CD2-CD2 4.42Å; L138-L177 HydrophobicContact CG-CD2 4.26Å; L138-I181 HydrophobicContact CD2-CD1 3.61Å; L138-I181 HydrophobicContact CD2-CG1 4.13Å
139	S	96	Very high	94.1	Very high	42 Å²	42	43.4 Å²	43.4	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-41.4	177.6	-61.1	0	0	0	0	112.5	V135 R136 D142 L143	V135-S139 PolarHBondContact O-N 3.5Å; V135-S139 PolarHBondContact O-OG 3.04Å; R136-S139 PolarHBondContact O-N 3.25Å; S139-D142 PolarHBondContact O-N 3.48Å; S139-L143 VanDerWaalsContact O-CB 3.29Å; S139-L143 WeakPolarHBondContact O-CB 3.47Å; S139-L143 PolarHBondContact O-N 3.44Å
140	I	93.6	Very high	94.3	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-46.1	174.8	-68.7	170.6	0	0	0	110.3	E103 R136 M137 D142 L143 F144 L149	E103-I140 HydrophobicContact CB-CD1 4.32Å; E103-I140 HydrophobicContact CG-CD1 3.88Å; R136-I140 HydrophobicContact CG-CD1 4.06Å; R136-I140 WeakPolarHBondContact O-CG1 3.4Å; R136-I140 PolarHBondContact O-N 3.44Å; M137-I140 HydrophobicContact SD-CD1 4.41Å; I140-D142 PolarHBondContact O-N 3.07Å; I140-L143 PolarHBondContact O-N 2.94Å; I140-F144 HydrophobicContact CG2-CD2 3.78Å; I140-F144 HydrophobicContact CG2-CE2 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.33Å; I140-F144 PolarHBondContact O-N 3.49Å; I140-L149 HydrophobicContact CB-CD2 4.46Å; I140-L149 HydrophobicContact CG2-CD2 3.94Å
141	G	95.6	Very high	94.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-36.6	177.9	0	0	0	0	0	112.7	M137 L138 S145 C146	M137-G141 PolarHBondContact O-N 3.43Å; L138-G141 PolarHBondContact O-N 3Å; G141-S145 CarbonylContact O-C 3.58Å; G141-S145 PolarHBondContact O-N 3.25Å; G141-C146 PolarHBondContact O-N 2.88Å
142	D	95.6	Very high	94.7	Very high	48 Å²	48	49.8 Å²	49.8	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-71.6	-51	174.6	-165.7	60.9	0	0	0	112.4	L138 S139 I140 F144 S145 K150 L177	L138-D142 PolarHBondContact O-N 2.97Å; S139-D142 PolarHBondContact O-N 3.48Å; I140-D142 PolarHBondContact O-N 3.07Å; D142-F144 VanDerWaalsContact C-N 3.29Å; D142-F144 PolarHBondContact O-N 3.19Å; D142-S145 PolarHBondContact O-N 2.9Å; D142-K150 HydrophobicContact CB-CD 4.29Å; D142-K150 WeakPolarHBondContact OD1-CE 3.48Å; D142-K150 IonicContact OD1-NZ 2.96Å; D142-K150 PolarHBondContact OD1-NZ 3.11Å; D142-L177 HydrophobicContact CB-CD1 3.97Å; D142-L177 HydrophobicContact CB-CD2 3.93Å; D142-L177 HydrophobicContact CB-CG 4.37Å
143	L	93	Very high	95	Very high	129 Å²	129	43.8 Å²	43.8	68%	0.675	23%	0.234	S	C	*	.	H	α-helix	trans	-56.1	-41.6	-177.4	-179.1	62.9	0	0	0	112.7	S139 I140	S139-L143 VanDerWaalsContact O-CB 3.29Å; S139-L143 WeakPolarHBondContact O-CB 3.47Å; S139-L143 PolarHBondContact O-N 3.44Å; I140-L143 PolarHBondContact O-N 2.94Å
144	F	91.3	Very high	95.1	Very high	44 Å²	44	43.6 Å²	43.6	19%	0.193	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.3	180	-60.8	-70.8	0	0	0	113.7	Y106 E107 C110 I140 D142 C146	Y106-F144 HydrophobicContact CD1-CB 4.37Å; Y106-F144 AromaticContact CD1-CD2 3.92Å; Y106-F144 HydrophobicContact CD1-CD2 3.92Å; Y106-F144 HydrophobicContact CD1-CE2 4.43Å; Y106-F144 HydrophobicContact CD1-CG 4.1Å; Y106-F144 HydrophobicContact CE1-CB 3.68Å; Y106-F144 HydrophobicContact CE1-CD2 4.04Å; Y106-F144 AromaticContact CE1-CG 3.91Å; Y106-F144 HydrophobicContact CE1-CG 3.91Å; E107-F144 HydrophobicContact CB-CE1 4Å; E107-F144 HydrophobicContact CB-CE2 4.4Å; E107-F144 HydrophobicContact CB-CZ 3.56Å; E107-F144 HydrophobicContact CG-CE1 3.84Å; E107-F144 HydrophobicContact CG-CZ 3.66Å; C110-F144 HydrophobicContact CB-CD1 4.1Å; I140-F144 HydrophobicContact CG2-CD2 3.78Å; I140-F144 HydrophobicContact CG2-CE2 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.33Å; I140-F144 PolarHBondContact O-N 3.49Å; D142-F144 VanDerWaalsContact C-N 3.29Å; D142-F144 PolarHBondContact O-N 3.19Å; F144-C146 PolarHBondContact O-N 3.23Å; F144-C146 VanDerWaalsContact O-N 3.15Å
145	S	92.1	Very high	95.1	Very high	109 Å²	109	46.5 Å²	46.5	76%	0.762	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	30.7	-179.1	-59	0	0	0	0	114	G141 D142 S147	G141-S145 CarbonylContact O-C 3.58Å; G141-S145 PolarHBondContact O-N 3.25Å; D142-S145 PolarHBondContact O-N 2.9Å; S145-S147 PolarHBondContact O-N 3.42Å
146	C	93.6	Very high	94.9	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.074	25%	0.249	C	C	.	.			trans	-85.1	88.6	176.2	-168.8	0	0	0	0	110.6	Y106 R122 G141 F144 E148 L149 K150	Y106-C146 WeakPolarHBondContact OH-CB 3.45Å; Y106-C146 PolarHBondContact OH-SG 2.99Å; R122-C146 WeakPolarHBondContact CD-SG 3.39Å; G141-C146 PolarHBondContact O-N 2.88Å; F144-C146 PolarHBondContact O-N 3.23Å; F144-C146 VanDerWaalsContact O-N 3.15Å; C146-E148 PolarHBondContact O-N 3.42Å; C146-L149 HydrophobicContact CB-CB 4.07Å; C146-L149 PolarHBondContact O-N 3.4Å; C146-K150 WeakPolarHBondContact O-CB 3.32Å; C146-K150 PolarHBondContact O-N 2.94Å
147	S	93.9	Very high	95	Very high	95 Å²	95	41.3 Å²	41.3	66%	0.664	22%	0.224	S	C	*	.	H	α-helix	trans	-58.8	-40.1	-175.1	58.5	0	0	0	0	114.2	S145 K150 Q151	S145-S147 PolarHBondContact O-N 3.42Å; S147-K150 PolarHBondContact O-N 3.46Å; S147-Q151 VanDerWaalsContact O-CB 3.28Å; S147-Q151 WeakPolarHBondContact O-CB 3.4Å; S147-Q151 PolarHBondContact O-N 3.45Å
148	E	94.7	Very high	95	Very high	83 Å²	83	41.2 Å²	41.2	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-66.1	-42.5	179.9	-173.5	177	-169	0	0	112	R122 C146 S152	R122-E148 IonicContact CZ-OE2 2.73Å; R122-E148 IonicContact NE-OE2 3.85Å; R122-E148 PolarHBondContact NE-OE2 2.9Å; R122-E148 IonicContact NH2-OE2 3.51Å; R122-E148 PolarHBondContact NH2-OE2 2.85Å; C146-E148 PolarHBondContact O-N 3.42Å; E148-S152 VanDerWaalsContact O-CB 3.31Å; E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 3.42Å; E148-S152 PolarHBondContact O-OG 3.07Å
149	L	95.9	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-49	175.4	-178	63.2	0	0	0	110.4	L125 V126 I129 M137 I140 C146 Q151 S152 A153	L125-L149 HydrophobicContact CB-CD1 3.78Å; L125-L149 HydrophobicContact CB-CD2 4.41Å; L125-L149 HydrophobicContact CD1-CD2 3.94Å; V126-L149 HydrophobicContact CG2-CB 4.37Å; V126-L149 HydrophobicContact CG2-CD1 3.9Å; I129-L149 HydrophobicContact CD1-CD1 4.11Å; M137-L149 HydrophobicContact CB-CD1 4.3Å; I140-L149 HydrophobicContact CB-CD2 4.46Å; I140-L149 HydrophobicContact CG2-CD2 3.94Å; C146-L149 HydrophobicContact CB-CB 4.07Å; C146-L149 PolarHBondContact O-N 3.4Å; L149-Q151 PolarHBondContact O-N 2.94Å; L149-S152 PolarHBondContact O-N 2.94Å; L149-A153 WeakPolarHBondContact O-CB 3.35Å; L149-A153 PolarHBondContact O-N 2.82Å
150	K	96.8	Very high	94.6	Very high	57 Å²	57	40.9 Å²	40.9	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-49.4	177.8	-172.5	-177.9	176.2	169.9	0	111.5	L138 D142 C146 S147 A153 K154	L138-K150 HydrophobicContact CD1-CG 3.65Å; L138-K150 VanDerWaalsContact CD1-O 3.31Å; L138-K150 WeakPolarHBondContact CD1-O 3.24Å; D142-K150 HydrophobicContact CB-CD 4.29Å; D142-K150 WeakPolarHBondContact OD1-CE 3.48Å; D142-K150 IonicContact OD1-NZ 2.96Å; D142-K150 PolarHBondContact OD1-NZ 3.11Å; C146-K150 WeakPolarHBondContact O-CB 3.32Å; C146-K150 PolarHBondContact O-N 2.94Å; S147-K150 PolarHBondContact O-N 3.46Å; K150-A153 PolarHBondContact O-N 3.31Å; K150-K154 VanDerWaalsContact O-CB 3.28Å; K150-K154 WeakPolarHBondContact O-CB 3.35Å; K150-K154 PolarHBondContact O-N 3.46Å
151	Q	95.6	Very high	94.7	Very high	99 Å²	99	40 Å²	40	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-68.5	-37	-178	-172.4	60	37.8	0	0	112.4	S147 L149 R155	S147-Q151 VanDerWaalsContact O-CB 3.28Å; S147-Q151 WeakPolarHBondContact O-CB 3.4Å; S147-Q151 PolarHBondContact O-N 3.45Å; L149-Q151 PolarHBondContact O-N 2.94Å; Q151-R155 VanDerWaalsContact O-CG 3.32Å; Q151-R155 WeakPolarHBondContact O-CG 3.42Å; Q151-R155 PolarHBondContact O-N 2.98Å; Q151-R155 VanDerWaalsContact O-N 3.1Å; Q151-R155 PolarHBondContact O-NE 3.47Å
152	S	95	Very high	94.6	Very high	14 Å²	14	42.5 Å²	42.5	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-70.2	-41	177	-56.8	0	0	0	0	111.4	E148 L149 R155 M156	E148-S152 VanDerWaalsContact O-CB 3.31Å; E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 3.42Å; E148-S152 PolarHBondContact O-OG 3.07Å; L149-S152 PolarHBondContact O-N 2.94Å; S152-R155 PolarHBondContact O-N 3.27Å; S152-R155 PolarHBondContact OG-NH2 3.27Å; S152-M156 PolarHBondContact O-N 3.15Å; S152-M156 VanDerWaalsContact O-N 3.16Å
153	A	97	Very high	94.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-44.5	175.5	0	0	0	0	0	111.6	I129 C134 M137 L138 L149 K150 R155 M156 V157	I129-A153 HydrophobicContact CD1-CB 4.24Å; C134-A153 WeakPolarHBondContact O-CB 3.44Å; M137-A153 HydrophobicContact CB-CB 3.86Å; L138-A153 HydrophobicContact CB-CB 3.84Å; L138-A153 HydrophobicContact CD1-CB 4.4Å; L149-A153 WeakPolarHBondContact O-CB 3.35Å; L149-A153 PolarHBondContact O-N 2.82Å; K150-A153 PolarHBondContact O-N 3.31Å; A153-R155 PolarHBondContact O-N 2.93Å; A153-M156 PolarHBondContact O-N 3.38Å; A153-M156 VanDerWaalsContact O-N 3.13Å; A153-V157 WeakPolarHBondContact O-CG2 3.3Å; A153-V157 PolarHBondContact O-N 3.49Å
154	K	96.9	Very high	94.5	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.096	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-47.1	175.2	-175.3	177.8	-178.5	174.2	0	111.5	L138 K150 M156 V157 E158 D180	L138-K154 HydrophobicContact CD1-CB 3.84Å; K150-K154 VanDerWaalsContact O-CB 3.28Å; K150-K154 WeakPolarHBondContact O-CB 3.35Å; K150-K154 PolarHBondContact O-N 3.46Å; K154-M156 VanDerWaalsContact C-N 3.29Å; K154-M156 PolarHBondContact O-N 2.91Å; K154-V157 CarbonylContact O-C 3.52Å; K154-V157 WeakPolarHBondContact O-CB 3.17Å; K154-V157 PolarHBondContact O-N 2.96Å; K154-V157 VanDerWaalsContact O-N 3.12Å; K154-E158 VanDerWaalsContact CE-OE1 3.24Å; K154-E158 WeakPolarHBondContact CE-OE1 3.48Å; K154-E158 HydrophobicContact CG-CG 4.38Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 2.75Å; K154-D180 WeakPolarHBondContact CD-OD2 3.3Å; K154-D180 VanDerWaalsContact CE-O 3.32Å; K154-D180 WeakPolarHBondContact CE-O 3.12Å; K154-D180 WeakPolarHBondContact CE-OD2 3.33Å; K154-D180 PolarHBondContact NZ-O 2.96Å; K154-D180 IonicContact NZ-OD1 2.74Å; K154-D180 PolarHBondContact NZ-OD1 2.79Å; K154-D180 IonicContact NZ-OD2 2.99Å; K154-D180 PolarHBondContact NZ-OD2 3.36Å
155	R	94.4	Very high	94.8	Very high	61 Å²	61	37.2 Å²	37.2	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-42	176.3	-77.1	-178.8	-70	155.6	-2.3	112.1	Q151 S152 A153 E158 H159	Q151-R155 VanDerWaalsContact O-CG 3.32Å; Q151-R155 WeakPolarHBondContact O-CG 3.42Å; Q151-R155 PolarHBondContact O-N 2.98Å; Q151-R155 VanDerWaalsContact O-N 3.1Å; Q151-R155 PolarHBondContact O-NE 3.47Å; S152-R155 PolarHBondContact O-N 3.27Å; S152-R155 PolarHBondContact OG-NH2 3.27Å; A153-R155 PolarHBondContact O-N 2.93Å; R155-E158 PolarHBondContact O-N 3.43Å; R155-H159 WeakPolarHBondContact O-CB 3.37Å; R155-H159 PolarHBondContact O-N 2.79Å
156	M	94.6	Very high	94.9	Very high	28 Å²	28	38.8 Å²	38.8	14%	0.138	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-40.3	175.5	-174.1	61.8	68.1	0	0	112.1	I129 C134 S152 A153 K154 E158 H159 K160	I129-M156 HydrophobicContact CG2-CB 3.5Å; I129-M156 HydrophobicContact CG2-CE 4.27Å; I129-M156 HydrophobicContact CG2-CG 3.7Å; C134-M156 HydrophobicContact CB-CB 3.74Å; C134-M156 HydrophobicContact CB-CG 3.58Å; S152-M156 PolarHBondContact O-N 3.15Å; S152-M156 VanDerWaalsContact O-N 3.16Å; A153-M156 PolarHBondContact O-N 3.38Å; A153-M156 VanDerWaalsContact O-N 3.13Å; K154-M156 VanDerWaalsContact C-N 3.29Å; K154-M156 PolarHBondContact O-N 2.91Å; M156-E158 VanDerWaalsContact C-N 3.35Å; M156-H159 PolarHBondContact O-N 3.47Å; M156-K160 WeakPolarHBondContact O-CB 3.27Å; M156-K160 PolarHBondContact O-N 3.34Å; M156-K160 HydrophobicContact SD-CG 3.83Å
157	V	96.9	Very high	95.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-43.5	173.3	173.4	0	0	0	0	110.9	C134 V135 L138 A153 K154 F161 V164 I181	C134-V157 HydrophobicContact CB-CG2 3.98Å; V135-V157 HydrophobicContact CG2-CG2 4.07Å; L138-V157 HydrophobicContact CD2-CG2 4.46Å; A153-V157 WeakPolarHBondContact O-CG2 3.3Å; A153-V157 PolarHBondContact O-N 3.49Å; K154-V157 CarbonylContact O-C 3.52Å; K154-V157 WeakPolarHBondContact O-CB 3.17Å; K154-V157 PolarHBondContact O-N 2.96Å; K154-V157 VanDerWaalsContact O-N 3.12Å; V157-F161 HydrophobicContact CG1-CD2 4.42Å; V157-F161 WeakPolarHBondContact O-CA 3.37Å; V157-F161 VanDerWaalsContact O-CB 3.3Å; V157-F161 WeakPolarHBondContact O-CB 3.41Å; V157-F161 PolarHBondContact O-N 3.5Å; V157-V164 HydrophobicContact CG1-CG1 4.25Å; V157-V164 HydrophobicContact CG2-CG1 4.39Å; V157-I181 HydrophobicContact CG1-CD1 4.05Å; V157-I181 HydrophobicContact CG1-CG1 4.32Å; V157-I181 HydrophobicContact CG1-CG2 4.11Å
158	E	95.4	Very high	95.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-46	176.9	-70.9	174.9	165.6	0	0	111.5	K154 R155 M156 S184 N186 L187 N188	K154-E158 VanDerWaalsContact CE-OE1 3.24Å; K154-E158 WeakPolarHBondContact CE-OE1 3.48Å; K154-E158 HydrophobicContact CG-CG 4.38Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 2.75Å; R155-E158 PolarHBondContact O-N 3.43Å; M156-E158 VanDerWaalsContact C-N 3.35Å; E158-S184 VanDerWaalsContact OE1-CB 3.25Å; E158-S184 WeakPolarHBondContact OE1-CB 3.31Å; E158-S184 PolarHBondContact OE1-OG 2.78Å; E158-N186 WeakPolarHBondContact OE2-CB 3.25Å; E158-L187 HydrophobicContact CG-CD2 4.19Å; E158-N188 VanDerWaalsContact O-CB 3.23Å; E158-N188 WeakPolarHBondContact O-CB 3.32Å; E158-N188 PolarHBondContact O-N 3.26Å
159	H	92.4	Very high	95.2	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-42.7	179.9	-179.8	59.1	0	0	0	112.9	R155 M156 N188 D326 W361	R155-H159 WeakPolarHBondContact O-CB 3.37Å; R155-H159 PolarHBondContact O-N 2.79Å; M156-H159 PolarHBondContact O-N 3.47Å; H159-N188 WeakPolarHBondContact O-CB 3.42Å; H159-N188 PolarHBondContact O-ND2 3.13Å; H159-D326 IonicContact CD2-OD1 3.31Å; H159-D326 IonicContact CE1-OD1 3.45Å; H159-D326 IonicContact NE2-OD1 3.76Å; H159-D326 PolarHBondContact NE2-OD1 2.93Å; H159-W361 AromaticContact CD2-CZ2 3.73Å; H159-W361 AromaticContact NE2-CZ2 3.59Å
160	K	92.8	Very high	95.3	Very high	19 Å²	19	39.5 Å²	39.5	8%	0.083	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	18.5	-177.2	-64.5	-61.9	-169	178	0	113.6	A131 M156 P162 R163 V164 D324 D326	A131-K160 HydrophobicContact CB-CB 4.23Å; A131-K160 HydrophobicContact CB-CG 4.09Å; M156-K160 WeakPolarHBondContact O-CB 3.27Å; M156-K160 PolarHBondContact O-N 3.34Å; M156-K160 HydrophobicContact SD-CG 3.83Å; K160-P162 VanDerWaalsContact C-CD 3.43Å; K160-P162 VanDerWaalsContact C-N 3.33Å; K160-P162 VanDerWaalsContact O-N 3.1Å; K160-R163 PolarHBondContact O-N 2.96Å; K160-V164 HydrophobicContact CB-CG2 3.86Å; K160-V164 VanDerWaalsContact O-CG2 3.31Å; K160-V164 WeakPolarHBondContact O-CG2 3.38Å; K160-V164 PolarHBondContact O-N 2.87Å; K160-V164 VanDerWaalsContact O-N 3.13Å; K160-D324 IonicContact NZ-OD2 3.65Å; K160-D326 VanDerWaalsContact NZ-CG 3.27Å; K160-D326 IonicContact NZ-OD1 3.19Å; K160-D326 PolarHBondContact NZ-OD1 3.09Å; K160-D326 IonicContact NZ-OD2 2.9Å; K160-D326 PolarHBondContact NZ-OD2 2.83Å
161	F	95.7	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-46	-48.6	-173	-170.1	-95.6	0	0	0	113.7	V157 R163 V164 Y165 F170 I181 L182 L187 V189 T194 A198	V157-F161 HydrophobicContact CG1-CD2 4.42Å; V157-F161 WeakPolarHBondContact O-CA 3.37Å; V157-F161 VanDerWaalsContact O-CB 3.3Å; V157-F161 WeakPolarHBondContact O-CB 3.41Å; V157-F161 PolarHBondContact O-N 3.5Å; F161-R163 PolarHBondContact O-N 3.05Å; F161-R163 VanDerWaalsContact O-N 3.14Å; F161-V164 PolarHBondContact O-N 3.04Å; F161-Y165 HydrophobicContact CD1-CD1 4.19Å; F161-Y165 HydrophobicContact CE1-CD1 4.1Å; F161-Y165 HydrophobicContact CE1-CG 4.39Å; F161-Y165 VanDerWaalsContact O-CD1 3.27Å; F161-Y165 WeakPolarHBondContact O-CD1 3.44Å; F161-Y165 PolarHBondContact O-N 3.42Å; F161-Y165 VanDerWaalsContact O-N 3.08Å; F161-F170 AromaticContact CE2-CE2 3.95Å; F161-F170 HydrophobicContact CE2-CE2 3.95Å; F161-F170 AromaticContact CE2-CZ 3.99Å; F161-F170 HydrophobicContact CE2-CZ 3.99Å; F161-F170 HydrophobicContact CZ-CZ 4.33Å; F161-I181 HydrophobicContact CD2-CG2 4.1Å; F161-I181 HydrophobicContact CE2-CG2 3.73Å; F161-L182 HydrophobicContact CE2-CD2 4.37Å; F161-L182 HydrophobicContact CZ-CD2 3.98Å; F161-L187 HydrophobicContact CB-CD2 4.43Å; F161-L187 HydrophobicContact CD2-CD2 3.61Å; F161-L187 HydrophobicContact CE2-CD2 3.96Å; F161-L187 HydrophobicContact CG-CD2 4.03Å; F161-V189 HydrophobicContact CD1-CG1 3.44Å; F161-V189 VanDerWaalsContact CD1-CG1 3.44Å; F161-V189 HydrophobicContact CE1-CG1 4.01Å; F161-V189 HydrophobicContact CG-CG1 4.29Å; F161-T194 HydrophobicContact CD1-CG2 4.3Å; F161-T194 HydrophobicContact CE1-CG2 4.27Å; F161-A198 HydrophobicContact CE1-CB 4Å; F161-A198 HydrophobicContact CZ-CB 3.61Å
162	P	93.4	Very high	95.3	Very high	53 Å²	53	38.7 Å²	38.7	34%	0.344	18%	0.18	S	C	.	.	H	α-helix	trans	-60.1	-27	-178.1	-24.8	36.3	0	0	0	115.4	K160 Y165 N188	K160-P162 VanDerWaalsContact C-CD 3.43Å; K160-P162 VanDerWaalsContact C-N 3.33Å; K160-P162 VanDerWaalsContact O-N 3.1Å; P162-Y165 WeakPolarHBondContact O-CE1 3.26Å; P162-N188 WeakPolarHBondContact CD-O 3.5Å; P162-N188 WeakPolarHBondContact CG-O 3.13Å
163	R	91.3	Very high	95.5	Very high	106 Å²	106	38.1 Å²	38.1	40%	0.4	18%	0.176	S	C	.	.	H	α-helix	trans	-86.3	-30.9	174.8	-73.2	179.9	62	-168.4	-10.7	111.9	K160 F161 D324 E414	K160-R163 PolarHBondContact O-N 2.96Å; F161-R163 PolarHBondContact O-N 3.05Å; F161-R163 VanDerWaalsContact O-N 3.14Å; R163-D324 IonicContact CZ-OD2 2.81Å; R163-D324 IonicContact NH1-OD2 3.78Å; R163-D324 PolarHBondContact NH1-OD2 3.12Å; R163-E414 IonicContact CZ-OE1 3.51Å; R163-E414 IonicContact NH1-OE1 3.91Å; R163-E414 IonicContact NH2-OE1 3.48Å; R163-E414 PolarHBondContact NH2-OE1 3.48Å
164	V	95.6	Very high	95.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-86.4	-38.2	-167.5	173	0	0	0	0	113.3	V135 V157 K160 F161 R166 Q167 F170	V135-V164 HydrophobicContact CG2-CG1 3.07Å; V157-V164 HydrophobicContact CG1-CG1 4.25Å; V157-V164 HydrophobicContact CG2-CG1 4.39Å; K160-V164 HydrophobicContact CB-CG2 3.86Å; K160-V164 VanDerWaalsContact O-CG2 3.31Å; K160-V164 WeakPolarHBondContact O-CG2 3.38Å; K160-V164 PolarHBondContact O-N 2.87Å; K160-V164 VanDerWaalsContact O-N 3.13Å; F161-V164 PolarHBondContact O-N 3.04Å; V164-R166 PolarHBondContact O-N 3.19Å; V164-Q167 VanDerWaalsContact O-CB 3.29Å; V164-Q167 WeakPolarHBondContact O-CB 3.23Å; V164-Q167 WeakPolarHBondContact O-CG 3.37Å; V164-Q167 PolarHBondContact O-N 3.11Å; V164-F170 HydrophobicContact CG1-CD2 4.3Å
165	Y	96.3	Very high	95.4	Very high	4 Å²	4	42 Å²	42	2%	0.016	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.6	-169.8	78.1	-97.5	0	0	0	115.1	F161 P162 F170 T194 E197 A198 L201	F161-Y165 HydrophobicContact CD1-CD1 4.19Å; F161-Y165 HydrophobicContact CE1-CD1 4.1Å; F161-Y165 HydrophobicContact CE1-CG 4.39Å; F161-Y165 VanDerWaalsContact O-CD1 3.27Å; F161-Y165 WeakPolarHBondContact O-CD1 3.44Å; F161-Y165 PolarHBondContact O-N 3.42Å; F161-Y165 VanDerWaalsContact O-N 3.08Å; P162-Y165 WeakPolarHBondContact O-CE1 3.26Å; Y165-F170 VanDerWaalsContact O-CD1 3.24Å; Y165-F170 WeakPolarHBondContact O-CD1 3.48Å; Y165-T194 HydrophobicContact CD1-CG2 4.13Å; Y165-T194 HydrophobicContact CE1-CG2 3.47Å; Y165-T194 VanDerWaalsContact CE1-CG2 3.47Å; Y165-E197 HydrophobicContact CE2-CB 4.33Å; Y165-E197 HydrophobicContact CE2-CG 3.97Å; Y165-E197 PolarHBondContact OH-OE1 2.99Å; Y165-E197 PolarHBondContact OH-OE2 2.96Å; Y165-A198 HydrophobicContact CD2-CB 3.65Å; Y165-A198 HydrophobicContact CE2-CB 4.39Å; Y165-A198 HydrophobicContact CG-CB 3.72Å; Y165-L201 HydrophobicContact CD2-CD1 4Å; Y165-L201 HydrophobicContact CE2-CD1 3.8Å
166	R	95.4	Very high	95.5	Very high	141 Å²	141	46.1 Å²	46.1	53%	0.532	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.4	176.9	-65.2	-171.4	173.9	98.2	-6.1	113.4	V164 E197 L201	V164-R166 PolarHBondContact O-N 3.19Å; R166-E197 IonicContact CZ-OE1 3.34Å; R166-E197 IonicContact NE-OE1 3.84Å; R166-E197 PolarHBondContact NE-OE1 3.13Å; R166-E197 IonicContact NH2-OE1 3.43Å; R166-E197 PolarHBondContact NH2-OE1 3.17Å; R166-E197 IonicContact NH2-OE2 3.51Å; R166-E197 PolarHBondContact NH2-OE2 3.5Å; R166-L201 HydrophobicContact CG-CD1 4.43Å
167	Q	96.4	Very high	95.6	Very high	46 Å²	46	45 Å²	45	22%	0.215	22%	0.216	C	C	.	.	S	Bend	trans	-69.5	145.2	179.4	-64.6	172.6	-7.1	0	0	110.1	A131 V164 A169 F170 L171	A131-Q167 PolarHBondContact O-NE2 2.87Å; V164-Q167 VanDerWaalsContact O-CB 3.29Å; V164-Q167 WeakPolarHBondContact O-CB 3.23Å; V164-Q167 WeakPolarHBondContact O-CG 3.37Å; V164-Q167 PolarHBondContact O-N 3.11Å; Q167-A169 PolarHBondContact O-N 2.97Å; Q167-F170 WeakPolarHBondContact O-CB 3.49Å; Q167-F170 PolarHBondContact O-N 2.8Å; Q167-L171 PolarHBondContact O-N 3.25Å
168	E	96.1	Very high	95.6	Very high	126 Å²	126	45 Å²	45	59%	0.589	22%	0.216	S	C	*	.	H	α-helix	trans	-56.4	-39.2	177.5	-169.1	-177.2	169.6	0	0	111.9	F170 L171 Q172	E168-F170 PolarHBondContact O-N 3.46Å; E168-L171 PolarHBondContact O-N 3.22Å; E168-Q172 WeakPolarHBondContact O-CG 3.14Å; E168-Q172 PolarHBondContact O-N 3.27Å; E168-Q172 PolarHBondContact OE1-NE2 3.21Å
169	A	96.2	Very high	95.7	Very high	33 Å²	33	46.4 Å²	46.4	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-56.1	-36.5	176	0	0	0	0	0	112.7	V135 Q167 Q172	V135-A169 HydrophobicContact CB-CB 3.96Å; V135-A169 HydrophobicContact CG1-CB 3.99Å; V135-A169 WeakPolarHBondContact CG1-O 3.39Å; Q167-A169 PolarHBondContact O-N 2.97Å; A169-Q172 PolarHBondContact O-N 3.47Å
170	F	97.9	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-42.3	176.6	-173.6	-87	0	0	0	111.4	V135 F161 V164 Y165 Q167 E168 Q172 L173 L178 I181 A198	V135-F170 HydrophobicContact CG1-CB 4.43Å; V135-F170 HydrophobicContact CG2-CB 4.36Å; V135-F170 HydrophobicContact CG2-CD2 4.46Å; F161-F170 AromaticContact CE2-CE2 3.95Å; F161-F170 HydrophobicContact CE2-CE2 3.95Å; F161-F170 AromaticContact CE2-CZ 3.99Å; F161-F170 HydrophobicContact CE2-CZ 3.99Å; F161-F170 HydrophobicContact CZ-CZ 4.33Å; V164-F170 HydrophobicContact CG1-CD2 4.3Å; Y165-F170 VanDerWaalsContact O-CD1 3.24Å; Y165-F170 WeakPolarHBondContact O-CD1 3.48Å; Q167-F170 WeakPolarHBondContact O-CB 3.49Å; Q167-F170 PolarHBondContact O-N 2.8Å; E168-F170 PolarHBondContact O-N 3.46Å; F170-Q172 PolarHBondContact O-N 3.48Å; F170-L173 HydrophobicContact CB-CD1 4.48Å; F170-L173 HydrophobicContact CD2-CD1 3.57Å; F170-L173 HydrophobicContact CE2-CD1 3.85Å; F170-L173 HydrophobicContact CG-CD1 3.96Å; F170-L173 HydrophobicContact CZ-CD1 4.45Å; F170-L173 WeakPolarHBondContact O-CB 3.06Å; F170-L173 WeakPolarHBondContact O-CD1 3.41Å; F170-L173 WeakPolarHBondContact O-CG 3.29Å; F170-L173 PolarHBondContact O-N 3.49Å; F170-L173 VanDerWaalsContact O-N 3.11Å; F170-L178 HydrophobicContact CE1-CD1 3.74Å; F170-L178 HydrophobicContact CZ-CD1 3.69Å; F170-I181 HydrophobicContact CE2-CD1 4.18Å; F170-I181 HydrophobicContact CE2-CG2 4.43Å; F170-A198 HydrophobicContact CE1-CB 4.15Å; F170-A198 HydrophobicContact CZ-CB 4.33Å
171	L	96.5	Very high	96.1	Very high	27 Å²	27	47.2 Å²	47.2	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-23.6	177.7	-54.7	-179	0	0	0	112.3	Q167 E168 L201 F205 R210	Q167-L171 PolarHBondContact O-N 3.25Å; E168-L171 PolarHBondContact O-N 3.22Å; L171-L201 HydrophobicContact CD2-CB 3.81Å; L171-F205 HydrophobicContact CB-CB 4.15Å; L171-F205 HydrophobicContact CB-CD1 4.18Å; L171-F205 HydrophobicContact CB-CD2 3.75Å; L171-F205 HydrophobicContact CB-CE2 4.14Å; L171-F205 HydrophobicContact CB-CG 3.77Å; L171-F205 HydrophobicContact CD1-CD2 3.69Å; L171-F205 HydrophobicContact CD1-CE2 4.19Å; L171-F205 HydrophobicContact CD1-CG 4.37Å; L171-F205 HydrophobicContact CG-CD2 4.35Å; L171-R210 VanDerWaalsContact O-CZ 3.23Å; L171-R210 PolarHBondContact O-NH1 2.94Å; L171-R210 PolarHBondContact O-NH2 2.84Å
172	Q	96.1	Very high	96.1	Very high	112 Å²	112	47.2 Å²	47.2	52%	0.523	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.9	177	-67.3	179.3	8.3	0	0	114.4	E168 A169 F170 F205	E168-Q172 WeakPolarHBondContact O-CG 3.14Å; E168-Q172 PolarHBondContact O-N 3.27Å; E168-Q172 PolarHBondContact OE1-NE2 3.21Å; A169-Q172 PolarHBondContact O-N 3.47Å; F170-Q172 PolarHBondContact O-N 3.48Å; Q172-F205 HydrophobicContact CG-CE1 4.09Å; Q172-F205 HydrophobicContact CG-CZ 4.18Å
173	L	97.3	Very high	96.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.23	C	C	.	.			trans	-55.3	148.2	-179.8	-76	167.8	0	0	0	112.7	V135 L138 F170 L177 I181 W202	V135-L173 HydrophobicContact CG1-CD1 4.02Å; V135-L173 HydrophobicContact CG1-CD2 3.76Å; V135-L173 HydrophobicContact CG1-CG 3.84Å; L138-L173 HydrophobicContact CD2-CD2 4.42Å; F170-L173 HydrophobicContact CB-CD1 4.48Å; F170-L173 HydrophobicContact CD2-CD1 3.57Å; F170-L173 HydrophobicContact CE2-CD1 3.85Å; F170-L173 HydrophobicContact CG-CD1 3.96Å; F170-L173 HydrophobicContact CZ-CD1 4.45Å; F170-L173 WeakPolarHBondContact O-CB 3.06Å; F170-L173 WeakPolarHBondContact O-CD1 3.41Å; F170-L173 WeakPolarHBondContact O-CG 3.29Å; F170-L173 PolarHBondContact O-N 3.49Å; F170-L173 VanDerWaalsContact O-N 3.11Å; L173-L177 HydrophobicContact CD2-CB 4.01Å; L173-L177 HydrophobicContact CD2-CD1 3.94Å; L173-I181 HydrophobicContact CD1-CD1 3.65Å; L173-W202 WeakPolarHBondContact O-CZ2 3.3Å; L173-W202 PolarHBondContact O-NE1 3.46Å
174	S	96.2	Very high	96.3	Very high	53 Å²	53	42.7 Å²	42.7	37%	0.371	22%	0.215	S	C	.	.			trans	-64.6	156.8	169.3	72.2	0	0	0	0	110.5	E176 L177 L178	S174-E176 VanDerWaalsContact C-N 3.25Å; S174-E176 PolarHBondContact O-N 2.89Å; S174-L177 PolarHBondContact O-N 3.38Å; S174-L177 WeakPolarHBondContact OG-CG 3.34Å; S174-L177 PolarHBondContact OG-N 3.47Å; S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 PolarHBondContact O-N 2.85Å
175	H	96.3	Very high	96.2	Very high	50 Å²	50	45.7 Å²	45.7	23%	0.231	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-42	176	171.7	-113.6	0	0	0	111.6	L178 I179 W202 H213 S216	H175-L178 PolarHBondContact O-N 3.27Å; H175-I179 WeakPolarHBondContact NE2-CG1 3.42Å; H175-I179 VanDerWaalsContact O-CG1 3.3Å; H175-I179 WeakPolarHBondContact O-CG1 3.28Å; H175-I179 PolarHBondContact O-N 2.98Å; H175-W202 HydrophobicContact CB-CH2 4.14Å; H175-W202 HydrophobicContact CB-CZ2 4.43Å; H175-H213 AromaticContact CD2-CG 3.67Å; H175-H213 AromaticContact CD2-ND1 3.69Å; H175-H213 AromaticContact CE1-ND1 3.81Å; H175-H213 AromaticContact CG-CE1 3.9Å; H175-H213 AromaticContact CG-CG 3.81Å; H175-H213 AromaticContact CG-ND1 3.53Å; H175-H213 AromaticContact ND1-CE1 3.95Å; H175-H213 AromaticContact ND1-ND1 3.6Å; H175-H213 AromaticContact NE2-ND1 3.85Å; H175-S216 PolarHBondContact CE1-OG 3.48Å; H175-S216 PolarHBondContact NE2-OG 3.08Å
176	E	96.3	Very high	96.1	Very high	147 Å²	147	48.3 Å²	48.3	69%	0.687	25%	0.246	S	C	*	.	H	α-helix	trans	-64	-46.8	-179.3	-62.7	-177.6	-177.5	0	0	112.4	S174 L178 I179 D180	S174-E176 VanDerWaalsContact C-N 3.25Å; S174-E176 PolarHBondContact O-N 2.89Å; E176-L178 PolarHBondContact O-N 3Å; E176-I179 PolarHBondContact O-N 3.36Å; E176-D180 WeakPolarHBondContact O-CB 3.38Å; E176-D180 PolarHBondContact O-N 3.02Å
177	L	97.4	Very high	96.1	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-38.2	178.2	-72.2	175.9	0	0	0	112.2	L138 D142 L173 S174 D180 I181	L138-L177 HydrophobicContact CG-CD2 4.26Å; D142-L177 HydrophobicContact CB-CD1 3.97Å; D142-L177 HydrophobicContact CB-CD2 3.93Å; D142-L177 HydrophobicContact CB-CG 4.37Å; L173-L177 HydrophobicContact CD2-CB 4.01Å; L173-L177 HydrophobicContact CD2-CD1 3.94Å; S174-L177 PolarHBondContact O-N 3.38Å; S174-L177 WeakPolarHBondContact OG-CG 3.34Å; S174-L177 PolarHBondContact OG-N 3.47Å; L177-D180 PolarHBondContact O-N 3.47Å; L177-I181 WeakPolarHBondContact O-CD1 3.47Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 2.82Å
178	L	97.7	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-47.5	175.8	-175	78.7	0	0	0	111.1	F170 S174 H175 E176 D180 I181 L182 W202 V217	F170-L178 HydrophobicContact CE1-CD1 3.74Å; F170-L178 HydrophobicContact CZ-CD1 3.69Å; S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 PolarHBondContact O-N 2.85Å; H175-L178 PolarHBondContact O-N 3.27Å; E176-L178 PolarHBondContact O-N 3Å; L178-D180 VanDerWaalsContact C-N 3.31Å; L178-D180 PolarHBondContact O-N 3.36Å; L178-I181 PolarHBondContact O-N 2.97Å; L178-L182 HydrophobicContact CD1-CD1 4.07Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CD2-CD1 4.05Å; L178-L182 HydrophobicContact CG-CD1 3.75Å; L178-L182 HydrophobicContact CG-CG 4.13Å; L178-L182 WeakPolarHBondContact O-CB 3.21Å; L178-L182 WeakPolarHBondContact O-CG 3.34Å; L178-L182 PolarHBondContact O-N 2.9Å; L178-W202 HydrophobicContact CD1-CB 4.22Å; L178-W202 HydrophobicContact CD1-CD2 4.49Å; L178-W202 HydrophobicContact CD1-CG 3.97Å; L178-W202 HydrophobicContact CD2-CB 4.2Å; L178-W202 HydrophobicContact CD2-CD2 3.38Å; L178-W202 HydrophobicContact CD2-CE3 3.49Å; L178-W202 VanDerWaalsContact CD2-CE3 3.49Å; L178-W202 HydrophobicContact CD2-CG 3.7Å; L178-W202 HydrophobicContact CD2-CH2 4.37Å; L178-W202 HydrophobicContact CD2-CZ2 4.29Å; L178-W202 HydrophobicContact CD2-CZ3 3.99Å; L178-W202 HydrophobicContact CG-CD2 4.42Å; L178-W202 HydrophobicContact CG-CG 4.4Å; L178-V217 HydrophobicContact CD2-CG1 4.1Å; L178-V217 HydrophobicContact CD2-CG2 3.91Å
179	I	96.7	Very high	95.8	Very high	34 Å²	34	34.2 Å²	34.2	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-41.7	177.8	-65.2	-64	0	0	0	110.7	H175 E176 I181 L182 S183 S216 V217 Q220	H175-I179 WeakPolarHBondContact NE2-CG1 3.42Å; H175-I179 VanDerWaalsContact O-CG1 3.3Å; H175-I179 WeakPolarHBondContact O-CG1 3.28Å; H175-I179 PolarHBondContact O-N 2.98Å; E176-I179 PolarHBondContact O-N 3.36Å; I179-I181 PolarHBondContact O-N 3.43Å; I179-L182 PolarHBondContact O-N 3.48Å; I179-S183 WeakPolarHBondContact O-CB 3.41Å; I179-S183 PolarHBondContact O-N 3.42Å; I179-S183 PolarHBondContact O-OG 3.2Å; I179-S216 WeakPolarHBondContact CD1-O 3.27Å; I179-V217 HydrophobicContact CD1-CG2 4.12Å; I179-Q220 HydrophobicContact CD1-CG 3.55Å; I179-Q220 HydrophobicContact CG2-CG 4.36Å
180	D	96.5	Very high	95.6	Very high	53 Å²	53	38.6 Å²	38.6	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-33.2	177.3	-174.4	47.7	0	0	0	112.8	K154 E176 L177 L178 S183	K154-D180 WeakPolarHBondContact CD-OD2 3.3Å; K154-D180 VanDerWaalsContact CE-O 3.32Å; K154-D180 WeakPolarHBondContact CE-O 3.12Å; K154-D180 WeakPolarHBondContact CE-OD2 3.33Å; K154-D180 PolarHBondContact NZ-O 2.96Å; K154-D180 IonicContact NZ-OD1 2.74Å; K154-D180 PolarHBondContact NZ-OD1 2.79Å; K154-D180 IonicContact NZ-OD2 2.99Å; K154-D180 PolarHBondContact NZ-OD2 3.36Å; E176-D180 WeakPolarHBondContact O-CB 3.38Å; E176-D180 PolarHBondContact O-N 3.02Å; L177-D180 PolarHBondContact O-N 3.47Å; L178-D180 VanDerWaalsContact C-N 3.31Å; L178-D180 PolarHBondContact O-N 3.36Å; D180-S183 PolarHBondContact O-OG 2.96Å
181	I	97.7	Very high	95.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-78.1	-55.4	173.9	-65.4	159	0	0	0	111.1	L138 V157 F161 F170 L173 L177 L178 I179 S183 S184 L187	L138-I181 HydrophobicContact CD2-CD1 3.61Å; L138-I181 HydrophobicContact CD2-CG1 4.13Å; V157-I181 HydrophobicContact CG1-CD1 4.05Å; V157-I181 HydrophobicContact CG1-CG1 4.32Å; V157-I181 HydrophobicContact CG1-CG2 4.11Å; F161-I181 HydrophobicContact CD2-CG2 4.1Å; F161-I181 HydrophobicContact CE2-CG2 3.73Å; F170-I181 HydrophobicContact CE2-CD1 4.18Å; F170-I181 HydrophobicContact CE2-CG2 4.43Å; L173-I181 HydrophobicContact CD1-CD1 3.65Å; L177-I181 WeakPolarHBondContact O-CD1 3.47Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 2.82Å; L178-I181 PolarHBondContact O-N 2.97Å; I179-I181 PolarHBondContact O-N 3.43Å; I181-S183 VanDerWaalsContact C-N 3.25Å; I181-S183 PolarHBondContact O-N 3.19Å; I181-S184 WeakPolarHBondContact O-CB 3.47Å; I181-S184 PolarHBondContact O-N 3.47Å; I181-L187 HydrophobicContact CG2-CD2 3.87Å
182	L	95.9	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-26.2	-172.3	-64.1	-178.4	0	0	0	113	F161 L178 I179 S184 V195 A198 A199 V217 Q220 R261	F161-L182 HydrophobicContact CE2-CD2 4.37Å; F161-L182 HydrophobicContact CZ-CD2 3.98Å; L178-L182 HydrophobicContact CD1-CD1 4.07Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CD2-CD1 4.05Å; L178-L182 HydrophobicContact CG-CD1 3.75Å; L178-L182 HydrophobicContact CG-CG 4.13Å; L178-L182 WeakPolarHBondContact O-CB 3.21Å; L178-L182 WeakPolarHBondContact O-CG 3.34Å; L178-L182 PolarHBondContact O-N 2.9Å; I179-L182 PolarHBondContact O-N 3.48Å; L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 3.31Å; L182-V195 HydrophobicContact CD2-CG1 3.75Å; L182-A198 HydrophobicContact CD2-CB 4.49Å; L182-A199 HydrophobicContact CD1-CB 3.86Å; L182-V217 HydrophobicContact CD1-CG1 4.17Å; L182-Q220 HydrophobicContact CB-CB 3.81Å; L182-Q220 HydrophobicContact CB-CG 4.29Å; L182-R261 VanDerWaalsContact O-CZ 3.29Å; L182-R261 PolarHBondContact O-NH1 3.12Å; L182-R261 PolarHBondContact O-NH2 2.83Å; L182-R261 VanDerWaalsContact O-NH2 3.11Å
183	S	94	Very high	94.9	Very high	52 Å²	52	40.1 Å²	40.1	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.5	174.3	62.1	0	0	0	0	113.4	I179 D180 I181 D185 Q220	I179-S183 WeakPolarHBondContact O-CB 3.41Å; I179-S183 PolarHBondContact O-N 3.42Å; I179-S183 PolarHBondContact O-OG 3.2Å; D180-S183 PolarHBondContact O-OG 2.96Å; I181-S183 VanDerWaalsContact C-N 3.25Å; I181-S183 PolarHBondContact O-N 3.19Å; S183-D185 PolarHBondContact O-N 3.11Å; S183-Q220 VanDerWaalsContact CB-OE1 3.29Å
184	S	94.8	Very high	94.8	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	21%	0.213	C	C	.	.			trans	-68.1	128.6	-171.3	-175.1	0	0	0	0	113.6	E158 I181 L182 N186 R261	E158-S184 VanDerWaalsContact OE1-CB 3.25Å; E158-S184 WeakPolarHBondContact OE1-CB 3.31Å; E158-S184 PolarHBondContact OE1-OG 2.78Å; I181-S184 WeakPolarHBondContact O-CB 3.47Å; I181-S184 PolarHBondContact O-N 3.47Å; L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 3.31Å; S184-N186 PolarHBondContact O-N 2.83Å; S184-N186 PolarHBondContact OG-N 3.3Å; S184-N186 VanDerWaalsContact OG-N 3.17Å; S184-R261 PolarHBondContact O-NH1 3.1Å
185	D	92.8	Very high	94.8	Very high	63 Å²	63	38.8 Å²	38.8	34%	0.337	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.9	169.5	-80.9	-15.6	0	0	0	112.7	S183 L187 R222 K259 R261 L262	S183-D185 PolarHBondContact O-N 3.11Å; D185-L187 VanDerWaalsContact C-N 3.33Å; D185-L187 PolarHBondContact O-N 3.29Å; D185-R222 IonicContact OD1-CZ 2.8Å; D185-R222 IonicContact OD1-NH1 2.86Å; D185-R222 PolarHBondContact OD1-NH1 3.26Å; D185-R222 IonicContact OD1-NH2 3.32Å; D185-R222 PolarHBondContact OD1-NH2 3.32Å; D185-K259 IonicContact OD2-NZ 3.95Å; D185-R261 CarbonylContact O-C 3.58Å; D185-R261 WeakPolarHBondContact O-CA 3.37Å; D185-L262 WeakPolarHBondContact O-CB 3.45Å; D185-L262 PolarHBondContact O-N 2.97Å
186	N	93.8	Very high	94.6	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.1	-170	-63.7	-36.5	0	0	0	114.3	E158 S184 N188 L262 Q365	E158-N186 WeakPolarHBondContact OE2-CB 3.25Å; S184-N186 PolarHBondContact O-N 2.83Å; S184-N186 PolarHBondContact OG-N 3.3Å; S184-N186 VanDerWaalsContact OG-N 3.17Å; N186-N188 PolarHBondContact O-N 2.87Å; N186-L262 HydrophobicContact CB-CD2 4.34Å; N186-Q365 VanDerWaalsContact CB-NE2 3.25Å; N186-Q365 PolarHBondContact ND2-NE2 3.23Å; N186-Q365 VanDerWaalsContact ND2-NE2 3.18Å
187	L	94.8	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.			trans	-56.6	124.7	178.5	-65.8	175.4	0	0	0	110.8	E158 F161 I181 D185 V189 V195 G263	E158-L187 HydrophobicContact CG-CD2 4.19Å; F161-L187 HydrophobicContact CB-CD2 4.43Å; F161-L187 HydrophobicContact CD2-CD2 3.61Å; F161-L187 HydrophobicContact CE2-CD2 3.96Å; F161-L187 HydrophobicContact CG-CD2 4.03Å; I181-L187 HydrophobicContact CG2-CD2 3.87Å; D185-L187 VanDerWaalsContact C-N 3.33Å; D185-L187 PolarHBondContact O-N 3.29Å; L187-V189 HydrophobicContact CB-CG1 4.42Å; L187-V189 HydrophobicContact CB-CG2 4.3Å; L187-V189 PolarHBondContact O-N 2.88Å; L187-V195 HydrophobicContact CD1-CG1 4.3Å; L187-V195 HydrophobicContact CD1-CG2 4Å; L187-G263 PolarHBondContact O-N 3.01Å
188	N	93.4	Very high	94.4	Very high	16 Å²	16	36.5 Å²	36.5	9%	0.086	18%	0.181	C	C	.	.			trans	-82	70.7	176.5	-179.6	20.6	0	0	0	110.6	E158 H159 P162 N186 K266 Y596	E158-N188 VanDerWaalsContact O-CB 3.23Å; E158-N188 WeakPolarHBondContact O-CB 3.32Å; E158-N188 PolarHBondContact O-N 3.26Å; H159-N188 WeakPolarHBondContact O-CB 3.42Å; H159-N188 PolarHBondContact O-ND2 3.13Å; P162-N188 WeakPolarHBondContact CD-O 3.5Å; P162-N188 WeakPolarHBondContact CG-O 3.13Å; N186-N188 PolarHBondContact O-N 2.87Å; N188-K266 VanDerWaalsContact CG-NZ 3.26Å; N188-K266 PolarHBondContact ND2-NZ 2.97Å; N188-K266 VanDerWaalsContact ND2-NZ 3.1Å; N188-K266 WeakPolarHBondContact OD1-CE 3.32Å; N188-K266 PolarHBondContact OD1-NZ 3.11Å; N188-Y596 PolarHBondContact OD1-OH 3.26Å
189	V	93.9	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.			trans	-116.7	138.4	175.9	-65.7	0	0	0	0	110.7	F161 L187 K191 T194 V195 R261 G263 M264	F161-V189 HydrophobicContact CD1-CG1 3.44Å; F161-V189 VanDerWaalsContact CD1-CG1 3.44Å; F161-V189 HydrophobicContact CE1-CG1 4.01Å; F161-V189 HydrophobicContact CG-CG1 4.29Å; L187-V189 HydrophobicContact CB-CG1 4.42Å; L187-V189 HydrophobicContact CB-CG2 4.3Å; L187-V189 PolarHBondContact O-N 2.88Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-T194 HydrophobicContact CG1-CG2 3.99Å; V189-V195 HydrophobicContact CG1-CG2 4.15Å; V189-V195 HydrophobicContact CG2-CG2 3.9Å; V189-R261 HydrophobicContact CG2-CB 3.73Å; V189-R261 HydrophobicContact CG2-CG 3.77Å; V189-G263 CarbonylContact O-C 3.42Å; V189-G263 VanDerWaalsContact O-CA 3.28Å; V189-G263 WeakPolarHBondContact O-CA 3.4Å; V189-M264 VanDerWaalsContact O-CG 3.3Å; V189-M264 WeakPolarHBondContact O-CG 3.2Å; V189-M264 PolarHBondContact O-N 3.43Å; V189-M264 VanDerWaalsContact O-N 3.08Å
190	E	91.7	Very high	93.9	Very high	125 Å²	125	37 Å²	37	58%	0.584	18%	0.183	S	C	*	.	S	Bend	trans	-76.5	-24.7	174.8	-61.8	-169.7	155.5	0	0	112	K594	E190-K594 IonicContact OE1-NZ 3.64Å; E190-K594 PolarHBondContact OE1-NZ 2.95Å
191	K	92.8	Very high	93.8	Very high	130 Å²	130	37.1 Å²	37.1	57%	0.565	18%	0.183	S	C	*	.	S	Bend	trans	-147.1	142.8	-175.9	-58.5	-175.9	-176	175.4	0	111.4	V189 E193 T194	V189-K191 VanDerWaalsContact C-N 3.32Å; K191-E193 WeakPolarHBondContact CB-OE2 3.38Å; K191-E193 PolarHBondContact O-N 3.34Å; K191-T194 WeakPolarHBondContact O-CB 3.1Å; K191-T194 PolarHBondContact O-N 3.29Å; K191-T194 VanDerWaalsContact O-N 3.13Å; K191-T194 PolarHBondContact O-OG1 3.15Å
192	E	92.4	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.5	-179.9	-169.6	71.3	-172.9	0	0	112.3	T194 V195 R196 I221 R222 A225 L226 R261	E192-T194 PolarHBondContact O-N 2.77Å; E192-T194 VanDerWaalsContact O-N 3.12Å; E192-V195 WeakPolarHBondContact O-CB 3.4Å; E192-V195 PolarHBondContact O-N 3.14Å; E192-R196 PolarHBondContact O-N 3.32Å; E192-I221 HydrophobicContact CG-CG2 4.22Å; E192-R222 HydrophobicContact CG-CB 3.94Å; E192-R222 PolarHBondContact OE1-N 3Å; E192-A225 HydrophobicContact CB-CB 3.88Å; E192-A225 HydrophobicContact CG-CB 4.28Å; E192-L226 HydrophobicContact CB-CD2 4.05Å; E192-L226 HydrophobicContact CG-CD2 4.11Å; E192-R261 IonicContact OE1-CZ 2.89Å; E192-R261 IonicContact OE1-NE 3.24Å; E192-R261 IonicContact OE1-NH2 2.71Å; E192-R261 PolarHBondContact OE1-NH2 2.87Å; E192-R261 VanDerWaalsContact OE2-CG 3.28Å; E192-R261 WeakPolarHBondContact OE2-CG 3.48Å; E192-R261 IonicContact OE2-CZ 3.56Å; E192-R261 IonicContact OE2-NE 3.77Å; E192-R261 PolarHBondContact OE2-NE 2.82Å; E192-R261 IonicContact OE2-NH2 2.71Å
193	E	91.4	Very high	93.4	Very high	42 Å²	42	37.8 Å²	37.8	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-53.6	-32	171.7	-74.1	84	168.5	0	0	112.7	K191 R196 E197 L226 S227 T230	K191-E193 WeakPolarHBondContact CB-OE2 3.38Å; K191-E193 PolarHBondContact O-N 3.34Å; E193-R196 WeakPolarHBondContact O-CB 3.27Å; E193-R196 PolarHBondContact O-N 2.92Å; E193-E197 WeakPolarHBondContact O-CB 3.31Å; E193-E197 PolarHBondContact O-N 2.95Å; E193-L226 HydrophobicContact CG-CD2 4Å; E193-S227 WeakPolarHBondContact OE1-CB 3.37Å; E193-S227 PolarHBondContact OE1-N 3.16Å; E193-S227 PolarHBondContact OE1-OG 2.74Å; E193-T230 HydrophobicContact CG-CG2 4.29Å
194	T	95.1	Very high	93.2	Very high	27 Å²	27	40.4 Å²	40.4	17%	0.166	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-40.8	176.4	-44.4	0	0	0	0	111.4	F161 Y165 V189 K191 E192 E197 A198	F161-T194 HydrophobicContact CD1-CG2 4.3Å; F161-T194 HydrophobicContact CE1-CG2 4.27Å; Y165-T194 HydrophobicContact CD1-CG2 4.13Å; Y165-T194 HydrophobicContact CE1-CG2 3.47Å; Y165-T194 VanDerWaalsContact CE1-CG2 3.47Å; V189-T194 HydrophobicContact CG1-CG2 3.99Å; K191-T194 WeakPolarHBondContact O-CB 3.1Å; K191-T194 PolarHBondContact O-N 3.29Å; K191-T194 VanDerWaalsContact O-N 3.13Å; K191-T194 PolarHBondContact O-OG1 3.15Å; E192-T194 PolarHBondContact O-N 2.77Å; E192-T194 VanDerWaalsContact O-N 3.12Å; T194-E197 PolarHBondContact O-N 3.08Å; T194-A198 WeakPolarHBondContact O-CB 3.38Å; T194-A198 PolarHBondContact O-N 3.29Å
195	V	95.4	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-41.4	178.6	-174.2	0	0	0	0	109.9	L182 L187 V189 E192 A198 A199	L182-V195 HydrophobicContact CD2-CG1 3.75Å; L187-V195 HydrophobicContact CD1-CG1 4.3Å; L187-V195 HydrophobicContact CD1-CG2 4Å; V189-V195 HydrophobicContact CG1-CG2 4.15Å; V189-V195 HydrophobicContact CG2-CG2 3.9Å; E192-V195 WeakPolarHBondContact O-CB 3.4Å; E192-V195 PolarHBondContact O-N 3.14Å; V195-A198 PolarHBondContact O-N 3.03Å; V195-A199 WeakPolarHBondContact O-CB 3.49Å; V195-A199 PolarHBondContact O-N 3.22Å
196	R	91.3	Very high	93.1	Very high	80 Å²	80	45 Å²	45	30%	0.302	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-49.5	172.7	176.8	-161.4	168	-98.8	-9.2	111.5	E192 E193 A198 A199 M200 I221 L226 W234	E192-R196 PolarHBondContact O-N 3.32Å; E193-R196 WeakPolarHBondContact O-CB 3.27Å; E193-R196 PolarHBondContact O-N 2.92Å; R196-A198 VanDerWaalsContact C-N 3.34Å; R196-A198 PolarHBondContact O-N 3.3Å; R196-A199 PolarHBondContact O-N 3.33Å; R196-M200 WeakPolarHBondContact O-CG 3.45Å; R196-M200 PolarHBondContact O-N 2.95Å; R196-I221 HydrophobicContact CB-CD1 4.15Å; R196-I221 HydrophobicContact CB-CG2 4.25Å; R196-I221 HydrophobicContact CG-CD1 4.16Å; R196-L226 HydrophobicContact CB-CD2 4.37Å; R196-W234 HydrophobicContact CG-CE3 4.38Å; R196-W234 HydrophobicContact CG-CH2 4.29Å; R196-W234 HydrophobicContact CG-CZ3 3.64Å
197	E	93.6	Very high	92.7	Very high	72 Å²	72	48.4 Å²	48.4	34%	0.336	23%	0.228	S	C	.	.	H	α-helix	trans	-58.1	-47.8	179.4	-172.7	-178.4	161.2	0	0	110.7	Y165 R166 E193 T194 A199 M200 L201	Y165-E197 HydrophobicContact CE2-CB 4.33Å; Y165-E197 HydrophobicContact CE2-CG 3.97Å; Y165-E197 PolarHBondContact OH-OE1 2.99Å; Y165-E197 PolarHBondContact OH-OE2 2.96Å; R166-E197 IonicContact CZ-OE1 3.34Å; R166-E197 IonicContact NE-OE1 3.84Å; R166-E197 PolarHBondContact NE-OE1 3.13Å; R166-E197 IonicContact NH2-OE1 3.43Å; R166-E197 PolarHBondContact NH2-OE1 3.17Å; R166-E197 IonicContact NH2-OE2 3.51Å; R166-E197 PolarHBondContact NH2-OE2 3.5Å; E193-E197 WeakPolarHBondContact O-CB 3.31Å; E193-E197 PolarHBondContact O-N 2.95Å; T194-E197 PolarHBondContact O-N 3.08Å; E197-A199 PolarHBondContact O-N 2.67Å; E197-M200 PolarHBondContact O-N 3.12Å; E197-L201 HydrophobicContact CG-CD1 4.15Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CG 3.43Å; E197-L201 PolarHBondContact O-N 3.05Å
198	A	96.6	Very high	92.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-45.7	176.1	0	0	0	0	0	113	F161 Y165 F170 L182 T194 V195 R196 M200 W202	F161-A198 HydrophobicContact CE1-CB 4Å; F161-A198 HydrophobicContact CZ-CB 3.61Å; Y165-A198 HydrophobicContact CD2-CB 3.65Å; Y165-A198 HydrophobicContact CE2-CB 4.39Å; Y165-A198 HydrophobicContact CG-CB 3.72Å; F170-A198 HydrophobicContact CE1-CB 4.15Å; F170-A198 HydrophobicContact CZ-CB 4.33Å; L182-A198 HydrophobicContact CD2-CB 4.49Å; T194-A198 WeakPolarHBondContact O-CB 3.38Å; T194-A198 PolarHBondContact O-N 3.29Å; V195-A198 PolarHBondContact O-N 3.03Å; R196-A198 VanDerWaalsContact C-N 3.34Å; R196-A198 PolarHBondContact O-N 3.3Å; A198-M200 PolarHBondContact O-N 3.13Å; A198-W202 PolarHBondContact O-N 3.42Å; A198-W202 VanDerWaalsContact O-N 3.13Å
199	A	93.7	Very high	92.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-43.3	177.7	0	0	0	0	0	112.3	L182 V195 R196 E197 L203 V217 I221	L182-A199 HydrophobicContact CD1-CB 3.86Å; V195-A199 WeakPolarHBondContact O-CB 3.49Å; V195-A199 PolarHBondContact O-N 3.22Å; R196-A199 PolarHBondContact O-N 3.33Å; E197-A199 PolarHBondContact O-N 2.67Å; A199-L203 WeakPolarHBondContact O-CG 3.35Å; A199-L203 PolarHBondContact O-N 2.97Å; A199-L203 VanDerWaalsContact O-N 3.09Å; A199-V217 HydrophobicContact CB-CG1 3.78Å; A199-I221 HydrophobicContact CB-CD1 4.16Å
200	M	89.8	Confident	92.1	Very high	46 Å²	46	59.7 Å²	59.7	23%	0.227	29%	0.287	C	S	.	.	H	α-helix	trans	-68.6	-45.4	179.6	-68.5	-55.5	-55.2	0	0	112	R196 E197 A198 W202 L203 E204 L218 W234	R196-M200 WeakPolarHBondContact O-CG 3.45Å; R196-M200 PolarHBondContact O-N 2.95Å; E197-M200 PolarHBondContact O-N 3.12Å; A198-M200 PolarHBondContact O-N 3.13Å; M200-W202 VanDerWaalsContact C-N 3.27Å; M200-W202 PolarHBondContact O-N 2.86Å; M200-L203 PolarHBondContact O-N 3.4Å; M200-L203 VanDerWaalsContact O-N 3.08Å; M200-L203 HydrophobicContact SD-CD1 4.23Å; M200-E204 WeakPolarHBondContact O-CB 3.49Å; M200-E204 VanDerWaalsContact O-CG 3.3Å; M200-E204 WeakPolarHBondContact O-CG 3.35Å; M200-E204 PolarHBondContact O-N 2.73Å; M200-L218 HydrophobicContact SD-CD2 4.17Å; M200-W234 HydrophobicContact SD-CH2 4.29Å; M200-W234 HydrophobicContact SD-CZ3 4.38Å
201	L	94.4	Very high	91.7	Very high	54 Å²	54	56.8 Å²	56.8	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-41.2	176.7	-72.5	173.7	0	0	0	111.8	Y165 R166 L171 E197 E204 F205	Y165-L201 HydrophobicContact CD2-CD1 4Å; Y165-L201 HydrophobicContact CE2-CD1 3.8Å; R166-L201 HydrophobicContact CG-CD1 4.43Å; L171-L201 HydrophobicContact CD2-CB 3.81Å; E197-L201 HydrophobicContact CG-CD1 4.15Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CG 3.43Å; E197-L201 PolarHBondContact O-N 3.05Å; L201-E204 PolarHBondContact O-N 2.93Å; L201-F205 WeakPolarHBondContact O-CB 3.49Å; L201-F205 PolarHBondContact O-N 3.24Å
202	W	96.5	Very high	91.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-43.4	175.1	-175.7	96.6	0	0	0	111.8	L173 H175 L178 A198 M200 E204 F205 R210 H213 V217	L173-W202 WeakPolarHBondContact O-CZ2 3.3Å; L173-W202 PolarHBondContact O-NE1 3.46Å; H175-W202 HydrophobicContact CB-CH2 4.14Å; H175-W202 HydrophobicContact CB-CZ2 4.43Å; L178-W202 HydrophobicContact CD1-CB 4.22Å; L178-W202 HydrophobicContact CD1-CD2 4.49Å; L178-W202 HydrophobicContact CD1-CG 3.97Å; L178-W202 HydrophobicContact CD2-CB 4.2Å; L178-W202 HydrophobicContact CD2-CD2 3.38Å; L178-W202 HydrophobicContact CD2-CE3 3.49Å; L178-W202 VanDerWaalsContact CD2-CE3 3.49Å; L178-W202 HydrophobicContact CD2-CG 3.7Å; L178-W202 HydrophobicContact CD2-CH2 4.37Å; L178-W202 HydrophobicContact CD2-CZ2 4.29Å; L178-W202 HydrophobicContact CD2-CZ3 3.99Å; L178-W202 HydrophobicContact CG-CD2 4.42Å; L178-W202 HydrophobicContact CG-CG 4.4Å; A198-W202 PolarHBondContact O-N 3.42Å; A198-W202 VanDerWaalsContact O-N 3.13Å; M200-W202 VanDerWaalsContact C-N 3.27Å; M200-W202 PolarHBondContact O-N 2.86Å; W202-E204 VanDerWaalsContact C-N 3.34Å; W202-E204 PolarHBondContact O-N 3.37Å; W202-F205 PolarHBondContact O-N 3.1Å; W202-R210 HydrophobicContact CE3-CG 4.43Å; W202-R210 HydrophobicContact CH2-CB 4.31Å; W202-R210 HydrophobicContact CH2-CG 3.77Å; W202-R210 HydrophobicContact CZ2-CG 4.34Å; W202-R210 HydrophobicContact CZ3-CB 3.94Å; W202-R210 HydrophobicContact CZ3-CG 3.82Å; W202-R210 VanDerWaalsContact O-CD 3.28Å; W202-R210 WeakPolarHBondContact O-CD 3.45Å; W202-R210 PolarHBondContact O-NH1 3.41Å; W202-H213 HydrophobicContact CZ3-CB 4.39Å; W202-V217 HydrophobicContact CE3-CG2 4.44Å; W202-V217 HydrophobicContact CZ3-CG2 4.05Å
203	L	89.4	Confident	91.1	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-41	177.4	-72.8	163.2	0	0	0	112.1	A199 M200 N206 M207 R210 L214 V217 L218	A199-L203 WeakPolarHBondContact O-CG 3.35Å; A199-L203 PolarHBondContact O-N 2.97Å; A199-L203 VanDerWaalsContact O-N 3.09Å; M200-L203 PolarHBondContact O-N 3.4Å; M200-L203 VanDerWaalsContact O-N 3.08Å; M200-L203 HydrophobicContact SD-CD1 4.23Å; L203-N206 CarbonylContact O-C 3.57Å; L203-M207 WeakPolarHBondContact O-CA 3.41Å; L203-M207 PolarHBondContact O-N 3.19Å; L203-R210 HydrophobicContact CD2-CB 4.28Å; L203-L214 HydrophobicContact CD1-CD1 3.59Å; L203-L214 HydrophobicContact CD2-CD1 4.34Å; L203-V217 HydrophobicContact CD1-CB 4.41Å; L203-V217 HydrophobicContact CD1-CG1 4.03Å; L203-V217 HydrophobicContact CD2-CB 4.47Å; L203-V217 HydrophobicContact CD2-CG2 4.4Å; L203-V217 HydrophobicContact CG-CG1 4.29Å; L203-L218 HydrophobicContact CD1-CD2 4.31Å
204	E	90.4	Very high	90.7	Very high	107 Å²	107	60.8 Å²	60.8	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-70.2	-29.6	-178.2	-72.7	170.2	-168.8	0	0	112.9	M200 L201 W202 N206 M207	M200-E204 WeakPolarHBondContact O-CB 3.49Å; M200-E204 VanDerWaalsContact O-CG 3.3Å; M200-E204 WeakPolarHBondContact O-CG 3.35Å; M200-E204 PolarHBondContact O-N 2.73Å; L201-E204 PolarHBondContact O-N 2.93Å; W202-E204 VanDerWaalsContact C-N 3.34Å; W202-E204 PolarHBondContact O-N 3.37Å; E204-N206 PolarHBondContact O-N 2.77Å; E204-M207 WeakPolarHBondContact O-CG 3.41Å
205	F	93.7	Very high	90	Very high	99 Å²	99	62.1 Å²	62.1	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-30.2	179	-174.8	-97.7	0	0	0	113.7	L171 Q172 L201 W202	L171-F205 HydrophobicContact CB-CB 4.15Å; L171-F205 HydrophobicContact CB-CD1 4.18Å; L171-F205 HydrophobicContact CB-CD2 3.75Å; L171-F205 HydrophobicContact CB-CE2 4.14Å; L171-F205 HydrophobicContact CB-CG 3.77Å; L171-F205 HydrophobicContact CD1-CD2 3.69Å; L171-F205 HydrophobicContact CD1-CE2 4.19Å; L171-F205 HydrophobicContact CD1-CG 4.37Å; L171-F205 HydrophobicContact CG-CD2 4.35Å; Q172-F205 HydrophobicContact CG-CE1 4.09Å; Q172-F205 HydrophobicContact CG-CZ 4.18Å; L201-F205 WeakPolarHBondContact O-CB 3.49Å; L201-F205 PolarHBondContact O-N 3.24Å; W202-F205 PolarHBondContact O-N 3.1Å
206	N	91	Very high	89.6	Confident	73 Å²	73	64 Å²	64	39%	0.39	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	71.3	172.5	-171.4	-19	0	0	0	110.8	L203 E204 E208 A209 R210	L203-N206 CarbonylContact O-C 3.57Å; E204-N206 PolarHBondContact O-N 2.77Å; N206-E208 VanDerWaalsContact C-N 3.27Å; N206-E208 PolarHBondContact O-N 3.24Å; N206-A209 PolarHBondContact O-N 3.31Å; N206-A209 WeakPolarHBondContact OD1-CB 3.17Å; N206-A209 PolarHBondContact OD1-N 2.9Å; N206-R210 HydrophobicContact CB-CG 4.27Å; N206-R210 WeakPolarHBondContact O-CB 3.49Å; N206-R210 VanDerWaalsContact O-CG 3.29Å; N206-R210 WeakPolarHBondContact O-CG 3.49Å; N206-R210 PolarHBondContact O-N 3.11Å
207	M	85.9	Confident	89.5	Confident	130 Å²	130	60.2 Å²	60.2	64%	0.64	31%	0.312	S	S	*	.	H	α-helix	trans	-56.5	-38.9	-173.7	-67	-178.8	69.5	0	0	113.5	L203 E204 S211	L203-M207 WeakPolarHBondContact O-CA 3.41Å; L203-M207 PolarHBondContact O-N 3.19Å; E204-M207 WeakPolarHBondContact O-CG 3.41Å; M207-S211 VanDerWaalsContact O-CB 3.29Å; M207-S211 WeakPolarHBondContact O-CB 3.39Å; M207-S211 PolarHBondContact O-N 3.11Å
208	E	88.3	Confident	89.1	Confident	176 Å²	176	57.7 Å²	57.7	82%	0.822	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-56.1	-176.9	-66.1	-173.8	170.4	0	0	110.9	N206 S211	N206-E208 VanDerWaalsContact C-N 3.27Å; N206-E208 PolarHBondContact O-N 3.24Å; E208-S211 PolarHBondContact O-OG 3.44Å; E208-S211 VanDerWaalsContact O-OG 3.07Å
209	A	89.9	Confident	88.5	Confident	49 Å²	49	59.7 Å²	59.7	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-73.2	-29.2	-177.7	0	0	0	0	0	113.1	N206 Q212	N206-A209 PolarHBondContact O-N 3.31Å; N206-A209 WeakPolarHBondContact OD1-CB 3.17Å; N206-A209 PolarHBondContact OD1-N 2.9Å; A209-Q212 PolarHBondContact O-NE2 2.89Å
210	R	90.1	Very high	88.3	Confident	28 Å²	28	61.8 Å²	61.8	11%	0.106	33%	0.325	C	S	.	.	H	α-helix	trans	-94.6	-8.1	-172.9	-62.5	174.7	171.6	175.1	-3.5	114.4	L171 W202 L203 N206 Q212 H213	L171-R210 VanDerWaalsContact O-CZ 3.23Å; L171-R210 PolarHBondContact O-NH1 2.94Å; L171-R210 PolarHBondContact O-NH2 2.84Å; W202-R210 HydrophobicContact CE3-CG 4.43Å; W202-R210 HydrophobicContact CH2-CB 4.31Å; W202-R210 HydrophobicContact CH2-CG 3.77Å; W202-R210 HydrophobicContact CZ2-CG 4.34Å; W202-R210 HydrophobicContact CZ3-CB 3.94Å; W202-R210 HydrophobicContact CZ3-CG 3.82Å; W202-R210 VanDerWaalsContact O-CD 3.28Å; W202-R210 WeakPolarHBondContact O-CD 3.45Å; W202-R210 PolarHBondContact O-NH1 3.41Å; L203-R210 HydrophobicContact CD2-CB 4.28Å; N206-R210 HydrophobicContact CB-CG 4.27Å; N206-R210 WeakPolarHBondContact O-CB 3.49Å; N206-R210 VanDerWaalsContact O-CG 3.29Å; N206-R210 WeakPolarHBondContact O-CG 3.49Å; N206-R210 PolarHBondContact O-N 3.11Å; R210-Q212 PolarHBondContact O-N 2.96Å; R210-Q212 VanDerWaalsContact O-N 3.08Å; R210-H213 PolarHBondContact O-N 3.37Å
211	S	83.6	Confident	88.3	Confident	65 Å²	65	59.7 Å²	59.7	46%	0.455	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-54.3	-29.9	176.9	62.9	0	0	0	0	114	M207 E208 H213 L214	M207-S211 VanDerWaalsContact O-CB 3.29Å; M207-S211 WeakPolarHBondContact O-CB 3.39Å; M207-S211 PolarHBondContact O-N 3.11Å; E208-S211 PolarHBondContact O-OG 3.44Å; E208-S211 VanDerWaalsContact O-OG 3.07Å; S211-H213 VanDerWaalsContact C-N 3.33Å; S211-L214 WeakPolarHBondContact O-CB 3.19Å
212	Q	85.6	Confident	87.9	Confident	145 Å²	145	57.7 Å²	57.7	68%	0.678	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-70.1	-25.8	175.1	66.3	-173.6	-39.8	0	0	113.7	A209 R210	A209-Q212 PolarHBondContact O-NE2 2.89Å; R210-Q212 PolarHBondContact O-N 2.96Å; R210-Q212 VanDerWaalsContact O-N 3.08Å
213	H	87.5	Confident	87.1	Confident	48 Å²	48	58 Å²	58	22%	0.222	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-91.9	-2.6	-178.3	-58.2	-60.5	0	0	0	113.1	H175 W202 R210 S211 S215 S216 V217	H175-H213 AromaticContact CD2-CG 3.67Å; H175-H213 AromaticContact CD2-ND1 3.69Å; H175-H213 AromaticContact CE1-ND1 3.81Å; H175-H213 AromaticContact CG-CE1 3.9Å; H175-H213 AromaticContact CG-CG 3.81Å; H175-H213 AromaticContact CG-ND1 3.53Å; H175-H213 AromaticContact ND1-CE1 3.95Å; H175-H213 AromaticContact ND1-ND1 3.6Å; H175-H213 AromaticContact NE2-ND1 3.85Å; W202-H213 HydrophobicContact CZ3-CB 4.39Å; R210-H213 PolarHBondContact O-N 3.37Å; S211-H213 VanDerWaalsContact C-N 3.33Å; H213-S215 VanDerWaalsContact C-N 3.33Å; H213-S215 PolarHBondContact O-N 3.49Å; H213-S216 PolarHBondContact O-N 3.19Å; H213-S216 PolarHBondContact O-OG 3.44Å; H213-V217 HydrophobicContact CB-CG2 4.29Å; H213-V217 WeakPolarHBondContact O-CG2 3.47Å; H213-V217 PolarHBondContact O-N 2.81Å
214	L	84	Confident	86.6	Confident	62 Å²	62	60.9 Å²	60.9	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-50.3	-51.2	-176.6	-176	67.1	0	0	0	112.2	L203 S211 S216 V217 L218	L203-L214 HydrophobicContact CD1-CD1 3.59Å; L203-L214 HydrophobicContact CD2-CD1 4.34Å; S211-L214 WeakPolarHBondContact O-CB 3.19Å; L214-S216 PolarHBondContact O-N 3.14Å; L214-V217 PolarHBondContact O-N 2.97Å; L214-L218 HydrophobicContact CD1-CD1 3.68Å; L214-L218 HydrophobicContact CD1-CG 3.96Å; L214-L218 HydrophobicContact CG-CD1 3.83Å; L214-L218 HydrophobicContact CG-CG 4.3Å; L214-L218 VanDerWaalsContact O-CB 3.32Å; L214-L218 WeakPolarHBondContact O-CB 2.96Å; L214-L218 WeakPolarHBondContact O-CG 3.42Å; L214-L218 PolarHBondContact O-N 2.87Å
215	S	79.8	Confident	86.3	Confident	56 Å²	56	57.5 Å²	57.5	39%	0.392	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-44.4	-177.3	-176.1	0	0	0	0	112.9	H213 S219	H213-S215 VanDerWaalsContact C-N 3.33Å; H213-S215 PolarHBondContact O-N 3.49Å; S215-S219 WeakPolarHBondContact O-CB 3.49Å; S215-S219 PolarHBondContact O-N 3.28Å; S215-S219 VanDerWaalsContact O-N 3.11Å; S215-S219 PolarHBondContact O-OG 2.96Å
216	S	87.7	Confident	85.8	Confident	39 Å²	39	53.1 Å²	53.1	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-74.5	-31.7	-176.9	55.3	0	0	0	0	113	H175 I179 H213 L214 S219 Q220	H175-S216 PolarHBondContact CE1-OG 3.48Å; H175-S216 PolarHBondContact NE2-OG 3.08Å; I179-S216 WeakPolarHBondContact CD1-O 3.27Å; H213-S216 PolarHBondContact O-N 3.19Å; H213-S216 PolarHBondContact O-OG 3.44Å; L214-S216 PolarHBondContact O-N 3.14Å; S216-S219 PolarHBondContact O-OG 3.42Å; S216-Q220 PolarHBondContact O-NE2 3.15Å; S216-Q220 VanDerWaalsContact O-NE2 3.11Å
217	V	88.4	Confident	85.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-72.1	-47.3	174.4	173.7	0	0	0	0	110.5	L178 I179 L182 A199 W202 L203 H213 L214 S219 Q220	L178-V217 HydrophobicContact CD2-CG1 4.1Å; L178-V217 HydrophobicContact CD2-CG2 3.91Å; I179-V217 HydrophobicContact CD1-CG2 4.12Å; L182-V217 HydrophobicContact CD1-CG1 4.17Å; A199-V217 HydrophobicContact CB-CG1 3.78Å; W202-V217 HydrophobicContact CE3-CG2 4.44Å; W202-V217 HydrophobicContact CZ3-CG2 4.05Å; L203-V217 HydrophobicContact CD1-CB 4.41Å; L203-V217 HydrophobicContact CD1-CG1 4.03Å; L203-V217 HydrophobicContact CD2-CB 4.47Å; L203-V217 HydrophobicContact CD2-CG2 4.4Å; L203-V217 HydrophobicContact CG-CG1 4.29Å; H213-V217 HydrophobicContact CB-CG2 4.29Å; H213-V217 WeakPolarHBondContact O-CG2 3.47Å; H213-V217 PolarHBondContact O-N 2.81Å; L214-V217 PolarHBondContact O-N 2.97Å; V217-S219 VanDerWaalsContact C-N 3.26Å; V217-S219 PolarHBondContact O-N 2.94Å; V217-Q220 WeakPolarHBondContact O-CB 3.42Å; V217-Q220 PolarHBondContact O-N 2.97Å; V217-Q220 VanDerWaalsContact O-N 3.1Å
218	L	84.6	Confident	85.3	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-27.8	-178.9	-67.2	-172.2	0	0	0	113.1	M200 L203 L214 Q220 I221 W234	M200-L218 HydrophobicContact SD-CD2 4.17Å; L203-L218 HydrophobicContact CD1-CD2 4.31Å; L214-L218 HydrophobicContact CD1-CD1 3.68Å; L214-L218 HydrophobicContact CD1-CG 3.96Å; L214-L218 HydrophobicContact CG-CD1 3.83Å; L214-L218 HydrophobicContact CG-CG 4.3Å; L214-L218 VanDerWaalsContact O-CB 3.32Å; L214-L218 WeakPolarHBondContact O-CB 2.96Å; L214-L218 WeakPolarHBondContact O-CG 3.42Å; L214-L218 PolarHBondContact O-N 2.87Å; L218-Q220 PolarHBondContact O-N 3.38Å; L218-I221 HydrophobicContact CD2-CD1 3.82Å; L218-I221 PolarHBondContact O-N 2.75Å; L218-W234 HydrophobicContact CD1-CH2 4.34Å; L218-W234 HydrophobicContact CD1-CZ2 3.87Å; L218-W234 HydrophobicContact CD2-CH2 3.42Å; L218-W234 VanDerWaalsContact CD2-CH2 3.42Å; L218-W234 HydrophobicContact CD2-CZ2 3.67Å; L218-W234 HydrophobicContact CG-CH2 4.41Å; L218-W234 HydrophobicContact CG-CZ2 4.21Å
219	S	85.3	Confident	85	Confident	43 Å²	43	48.5 Å²	48.5	30%	0.301	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.6	175.3	67.3	0	0	0	0	114.1	S215 S216 V217 I221	S215-S219 WeakPolarHBondContact O-CB 3.49Å; S215-S219 PolarHBondContact O-N 3.28Å; S215-S219 VanDerWaalsContact O-N 3.11Å; S215-S219 PolarHBondContact O-OG 2.96Å; S216-S219 PolarHBondContact O-OG 3.42Å; V217-S219 VanDerWaalsContact C-N 3.26Å; V217-S219 PolarHBondContact O-N 2.94Å; S219-I221 VanDerWaalsContact C-N 3.35Å
220	Q	89.6	Confident	84.5	Confident	44 Å²	44	47.5 Å²	47.5	21%	0.206	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	175	-51.2	-46.7	-50.8	0	0	113.4	I179 L182 S183 S216 V217 L218 R261	I179-Q220 HydrophobicContact CD1-CG 3.55Å; I179-Q220 HydrophobicContact CG2-CG 4.36Å; L182-Q220 HydrophobicContact CB-CB 3.81Å; L182-Q220 HydrophobicContact CB-CG 4.29Å; S183-Q220 VanDerWaalsContact CB-OE1 3.29Å; S216-Q220 PolarHBondContact O-NE2 3.15Å; S216-Q220 VanDerWaalsContact O-NE2 3.11Å; V217-Q220 WeakPolarHBondContact O-CB 3.42Å; V217-Q220 PolarHBondContact O-N 2.97Å; V217-Q220 VanDerWaalsContact O-N 3.1Å; L218-Q220 PolarHBondContact O-N 3.38Å; Q220-R261 PolarHBondContact O-NH2 3.02Å
221	I	88	Confident	83.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	-88.1	128.8	-178.4	-56.3	170.6	0	0	0	109.8	E192 R196 A199 L218 S219 I223 L226 W234	E192-I221 HydrophobicContact CG-CG2 4.22Å; R196-I221 HydrophobicContact CB-CD1 4.15Å; R196-I221 HydrophobicContact CB-CG2 4.25Å; R196-I221 HydrophobicContact CG-CD1 4.16Å; A199-I221 HydrophobicContact CB-CD1 4.16Å; L218-I221 HydrophobicContact CD2-CD1 3.82Å; L218-I221 PolarHBondContact O-N 2.75Å; S219-I221 VanDerWaalsContact C-N 3.35Å; I221-I223 PolarHBondContact O-N 3.06Å; I221-L226 HydrophobicContact CG2-CD1 4.23Å; I221-W234 HydrophobicContact CD1-CH2 3.88Å; I221-W234 HydrophobicContact CD1-CZ2 4.47Å
222	R	87.1	Confident	83.3	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.045	28%	0.276	C	S	.	.			trans	-80.8	82.3	176.9	-58.4	171.2	-171	-173.4	4.4	110	D185 E192 D224 A225 F258 K259 R261	D185-R222 IonicContact OD1-CZ 2.8Å; D185-R222 IonicContact OD1-NH1 2.86Å; D185-R222 PolarHBondContact OD1-NH1 3.26Å; D185-R222 IonicContact OD1-NH2 3.32Å; D185-R222 PolarHBondContact OD1-NH2 3.32Å; E192-R222 HydrophobicContact CG-CB 3.94Å; E192-R222 PolarHBondContact OE1-N 3Å; R222-D224 PolarHBondContact O-N 2.83Å; R222-D224 VanDerWaalsContact O-N 3.14Å; R222-A225 HydrophobicContact CB-CB 4.03Å; R222-A225 WeakPolarHBondContact O-CB 3.4Å; R222-A225 PolarHBondContact O-N 2.8Å; R222-F258 HydrophobicContact CB-CB 4.39Å; R222-F258 HydrophobicContact CB-CD2 4.48Å; R222-F258 HydrophobicContact CB-CG 4.22Å; R222-F258 HydrophobicContact CG-CB 4.19Å; R222-F258 HydrophobicContact CG-CD1 3.87Å; R222-F258 HydrophobicContact CG-CE1 4.43Å; R222-F258 HydrophobicContact CG-CG 3.99Å; R222-K259 PolarHBondContact NH1-O 3.24Å; R222-R261 VanDerWaalsContact NE-NE 3.15Å; R222-R261 VanDerWaalsContact NH2-CZ 3.27Å
223	I	78.6	Confident	82.6	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.056	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-53.2	-39.5	-173.9	-62.1	174.9	0	0	0	112.3	I221 A225 L226 Q231 F235 Y251 M254	I221-I223 PolarHBondContact O-N 3.06Å; I223-A225 PolarHBondContact O-N 3.02Å; I223-L226 HydrophobicContact CG2-CD1 4.5Å; I223-L226 VanDerWaalsContact O-CB 3.29Å; I223-L226 WeakPolarHBondContact O-CB 3.36Å; I223-L226 PolarHBondContact O-N 3Å; I223-Q231 HydrophobicContact CG2-CG 4.31Å; I223-Q231 PolarHBondContact O-NE2 2.66Å; I223-F235 HydrophobicContact CG2-CZ 4.37Å; I223-Y251 HydrophobicContact CB-CD2 4.31Å; I223-Y251 HydrophobicContact CB-CE2 4.25Å; I223-Y251 HydrophobicContact CD1-CD2 3.94Å; I223-Y251 HydrophobicContact CG2-CD2 4.01Å; I223-Y251 HydrophobicContact CG2-CE2 3.73Å; I223-M254 HydrophobicContact CD1-CE 3.71Å; I223-M254 HydrophobicContact CG1-CE 4.04Å
224	D	78.8	Confident	81.8	Confident	71 Å²	71	46.4 Å²	46.4	38%	0.38	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-66.2	-19.8	179.9	-63.2	-35	0	0	0	113.6	R222	R222-D224 PolarHBondContact O-N 2.83Å; R222-D224 VanDerWaalsContact O-N 3.14Å
225	A	84	Confident	80.9	Confident	36 Å²	36	46.4 Å²	46.4	30%	0.298	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-89.1	-5.7	175	0	0	0	0	0	113.2	E192 R222 I223 M264	E192-A225 HydrophobicContact CB-CB 3.88Å; E192-A225 HydrophobicContact CG-CB 4.28Å; R222-A225 HydrophobicContact CB-CB 4.03Å; R222-A225 WeakPolarHBondContact O-CB 3.4Å; R222-A225 PolarHBondContact O-N 2.8Å; I223-A225 PolarHBondContact O-N 3.02Å; A225-M264 HydrophobicContact CB-CE 4.44Å
226	L	84	Confident	80.1	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	28%	0.275	C	S	.	.	S	Bend	trans	-76.5	149.2	171.8	-61.2	172.8	0	0	0	110.5	E192 E193 R196 I221 I223 T230 Q231	E192-L226 HydrophobicContact CB-CD2 4.05Å; E192-L226 HydrophobicContact CG-CD2 4.11Å; E193-L226 HydrophobicContact CG-CD2 4Å; R196-L226 HydrophobicContact CB-CD2 4.37Å; I221-L226 HydrophobicContact CG2-CD1 4.23Å; I223-L226 HydrophobicContact CG2-CD1 4.5Å; I223-L226 VanDerWaalsContact O-CB 3.29Å; I223-L226 WeakPolarHBondContact O-CB 3.36Å; I223-L226 PolarHBondContact O-N 3Å; L226-T230 HydrophobicContact CD1-CG2 4.4Å; L226-T230 HydrophobicContact CD2-CG2 4.43Å; L226-Q231 HydrophobicContact CB-CG 3.91Å; L226-Q231 PolarHBondContact O-NE2 3.18Å
227	S	84.6	Confident	78.7	Confident	51 Å²	51	52.7 Å²	52.7	36%	0.357	29%	0.294	S	S	.	.			trans	-57.9	148.4	169.7	52.1	0	0	0	0	112.5	E193 V229 T230 Q231	E193-S227 WeakPolarHBondContact OE1-CB 3.37Å; E193-S227 PolarHBondContact OE1-N 3.16Å; E193-S227 PolarHBondContact OE1-OG 2.74Å; S227-V229 PolarHBondContact O-N 3.47Å; S227-T230 WeakPolarHBondContact O-CA 3.05Å; S227-T230 WeakPolarHBondContact O-CB 3.49Å; S227-T230 PolarHBondContact O-N 3.32Å; S227-T230 WeakPolarHBondContact OG-CB 3.34Å; S227-T230 PolarHBondContact OG-OG1 3.11Å; S227-Q231 WeakPolarHBondContact O-CG 3.39Å; S227-Q231 PolarHBondContact O-N 2.89Å
228	E	81.1	Confident	77.2	Confident	118 Å²	118	54.8 Å²	54.8	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-56.5	-37.6	-178.8	-168.4	-176.3	-175.6	0	0	112.6	Q231 R232	E228-Q231 PolarHBondContact O-N 2.85Å; E228-R232 WeakPolarHBondContact O-CB 3.39Å; E228-R232 VanDerWaalsContact O-CG 3.27Å; E228-R232 WeakPolarHBondContact O-CG 3.22Å; E228-R232 PolarHBondContact O-N 2.95Å; E228-R232 IonicContact OE1-CZ 2.97Å; E228-R232 IonicContact OE1-NE 2.82Å; E228-R232 PolarHBondContact OE1-NE 3.37Å; E228-R232 IonicContact OE1-NH2 3.83Å; E228-R232 PolarHBondContact OE1-NH2 3.2Å; E228-R232 IonicContact OE2-NH2 3.54Å
229	V	83.4	Confident	75.6	Confident	113 Å²	113	57.5 Å²	57.5	69%	0.685	32%	0.324	S	S	*	.	H	α-helix	trans	-61	-46.2	175.4	178.7	0	0	0	0	110.7	S227 R232 A233	S227-V229 PolarHBondContact O-N 3.47Å; V229-R232 PolarHBondContact O-N 3.44Å; V229-A233 WeakPolarHBondContact O-CB 3.34Å; V229-A233 PolarHBondContact O-N 3.09Å
230	T	78.5	Confident	74.1	Confident	27 Å²	27	61.7 Å²	61.7	17%	0.166	35%	0.35	C	S	.	.	H	α-helix	trans	-68.9	-40	-179.2	-55.5	0	0	0	0	111.1	E193 L226 S227 A233 W234	E193-T230 HydrophobicContact CG-CG2 4.29Å; L226-T230 HydrophobicContact CD1-CG2 4.4Å; L226-T230 HydrophobicContact CD2-CG2 4.43Å; S227-T230 WeakPolarHBondContact O-CA 3.05Å; S227-T230 WeakPolarHBondContact O-CB 3.49Å; S227-T230 PolarHBondContact O-N 3.32Å; S227-T230 WeakPolarHBondContact OG-CB 3.34Å; S227-T230 PolarHBondContact OG-OG1 3.11Å; T230-A233 PolarHBondContact O-N 2.73Å; T230-W234 VanDerWaalsContact O-CB 3.3Å; T230-W234 WeakPolarHBondContact O-CB 3.32Å; T230-W234 PolarHBondContact O-N 3.45Å
231	Q	74.9	Confident	72.4	Confident	39 Å²	39	64.6 Å²	64.6	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-49.4	172.7	-68.4	176.9	-4.3	0	0	110.9	I223 L226 S227 E228 A233 W234 F235	I223-Q231 HydrophobicContact CG2-CG 4.31Å; I223-Q231 PolarHBondContact O-NE2 2.66Å; L226-Q231 HydrophobicContact CB-CG 3.91Å; L226-Q231 PolarHBondContact O-NE2 3.18Å; S227-Q231 WeakPolarHBondContact O-CG 3.39Å; S227-Q231 PolarHBondContact O-N 2.89Å; E228-Q231 PolarHBondContact O-N 2.85Å; Q231-A233 PolarHBondContact O-N 3.28Å; Q231-W234 WeakPolarHBondContact O-CB 3.35Å; Q231-W234 PolarHBondContact O-N 3.43Å; Q231-F235 HydrophobicContact CB-CE2 4.38Å; Q231-F235 WeakPolarHBondContact O-CD2 3.37Å; Q231-F235 PolarHBondContact O-N 3.34Å
232	R	72.9	Confident	70.7	Confident	143 Å²	143	71.3 Å²	71.3	54%	0.54	40%	0.403	S	S	.	.	H	α-helix	trans	-60.3	-46.5	178.1	-71.9	172.8	-176.2	-169.6	2.1	112.1	E228 V229 W234 F235 Q236	E228-R232 WeakPolarHBondContact O-CB 3.39Å; E228-R232 VanDerWaalsContact O-CG 3.27Å; E228-R232 WeakPolarHBondContact O-CG 3.22Å; E228-R232 PolarHBondContact O-N 2.95Å; E228-R232 IonicContact OE1-CZ 2.97Å; E228-R232 IonicContact OE1-NE 2.82Å; E228-R232 PolarHBondContact OE1-NE 3.37Å; E228-R232 IonicContact OE1-NH2 3.83Å; E228-R232 PolarHBondContact OE1-NH2 3.2Å; E228-R232 IonicContact OE2-NH2 3.54Å; V229-R232 PolarHBondContact O-N 3.44Å; R232-W234 VanDerWaalsContact C-N 3.3Å; R232-W234 PolarHBondContact O-N 3.1Å; R232-F235 PolarHBondContact O-N 3.43Å; R232-Q236 WeakPolarHBondContact O-CB 3.47Å; R232-Q236 VanDerWaalsContact O-CG 3.25Å; R232-Q236 WeakPolarHBondContact O-CG 3.4Å; R232-Q236 PolarHBondContact O-N 3.34Å
233	A	72.3	Confident	68.9	Low	58 Å²	58	77.8 Å²	77.8	48%	0.479	43%	0.431	S	S	.	.	H	α-helix	trans	-61.4	-39.2	177.2	0	0	0	0	0	112	V229 T230 Q231 Q236 G237	V229-A233 WeakPolarHBondContact O-CB 3.34Å; V229-A233 PolarHBondContact O-N 3.09Å; T230-A233 PolarHBondContact O-N 2.73Å; Q231-A233 PolarHBondContact O-N 3.28Å; A233-Q236 PolarHBondContact O-N 2.88Å; A233-G237 PolarHBondContact O-N 3.01Å
234	W	70.4	Confident	67.8	Low	24 Å²	24	77.8 Å²	77.8	9%	0.091	43%	0.433	C	S	.	.	H	α-helix	trans	-59.1	-46.9	175.2	-171.1	-89.6	0	0	0	112	R196 M200 L218 I221 T230 Q231 R232 L238	R196-W234 HydrophobicContact CG-CE3 4.38Å; R196-W234 HydrophobicContact CG-CH2 4.29Å; R196-W234 HydrophobicContact CG-CZ3 3.64Å; M200-W234 HydrophobicContact SD-CH2 4.29Å; M200-W234 HydrophobicContact SD-CZ3 4.38Å; L218-W234 HydrophobicContact CD1-CH2 4.34Å; L218-W234 HydrophobicContact CD1-CZ2 3.87Å; L218-W234 HydrophobicContact CD2-CH2 3.42Å; L218-W234 VanDerWaalsContact CD2-CH2 3.42Å; L218-W234 HydrophobicContact CD2-CZ2 3.67Å; L218-W234 HydrophobicContact CG-CH2 4.41Å; L218-W234 HydrophobicContact CG-CZ2 4.21Å; I221-W234 HydrophobicContact CD1-CH2 3.88Å; I221-W234 HydrophobicContact CD1-CZ2 4.47Å; T230-W234 VanDerWaalsContact O-CB 3.3Å; T230-W234 WeakPolarHBondContact O-CB 3.32Å; T230-W234 PolarHBondContact O-N 3.45Å; Q231-W234 WeakPolarHBondContact O-CB 3.35Å; Q231-W234 PolarHBondContact O-N 3.43Å; R232-W234 VanDerWaalsContact C-N 3.3Å; R232-W234 PolarHBondContact O-N 3.1Å; W234-L238 WeakPolarHBondContact O-CG 3.32Å
235	F	64.7	Low	66.7	Low	61 Å²	61	78.9 Å²	78.9	27%	0.268	44%	0.441	S	S	.	.	H	α-helix	trans	-75.1	-28	-179.6	-66.5	-63.4	0	0	0	113.6	I223 Q231 R232 Y251	I223-F235 HydrophobicContact CG2-CZ 4.37Å; Q231-F235 HydrophobicContact CB-CE2 4.38Å; Q231-F235 WeakPolarHBondContact O-CD2 3.37Å; Q231-F235 PolarHBondContact O-N 3.34Å; R232-F235 PolarHBondContact O-N 3.43Å; F235-Y251 HydrophobicContact CE1-CD1 4.39Å; F235-Y251 HydrophobicContact CE1-CG 4.25Å; F235-Y251 HydrophobicContact CZ-CD1 4.05Å; F235-Y251 AromaticContact CZ-CD2 3.97Å; F235-Y251 HydrophobicContact CZ-CD2 3.97Å; F235-Y251 HydrophobicContact CZ-CE1 4.18Å; F235-Y251 HydrophobicContact CZ-CE2 4.12Å; F235-Y251 AromaticContact CZ-CG 3.93Å; F235-Y251 HydrophobicContact CZ-CG 3.93Å
236	Q	63.2	Low	65.4	Low	163 Å²	163	80.8 Å²	80.8	76%	0.762	45%	0.449	S	S	*	.	H	α-helix	trans	-80.8	-29.5	178.3	-72.5	176.5	-1.4	0	0	113.4	R232 A233 L238	R232-Q236 WeakPolarHBondContact O-CB 3.47Å; R232-Q236 VanDerWaalsContact O-CG 3.25Å; R232-Q236 WeakPolarHBondContact O-CG 3.4Å; R232-Q236 PolarHBondContact O-N 3.34Å; A233-Q236 PolarHBondContact O-N 2.88Å; Q236-L238 VanDerWaalsContact C-N 3.35Å
237	G	57.9	Low	64.1	Low	64 Å²	64	81.3 Å²	81.3	66%	0.66	45%	0.453	S	S	*	.	S	Bend	trans	-81.3	-5.9	-178.6	0	0	0	0	0	115.4	A233	A233-G237 PolarHBondContact O-N 3.01Å
238	L	56.8	Low	62.9	Low	44 Å²	44	83.1 Å²	83.1	23%	0.23	46%	0.456	C	S	.	.	S	Bend	trans	-78.5	124.1	-179.8	-71.3	163.7	0	0	0	110.8	W234 Q236 S244 V247	W234-L238 WeakPolarHBondContact O-CG 3.32Å; Q236-L238 VanDerWaalsContact C-N 3.35Å; L238-S244 WeakPolarHBondContact CB-OG 3.4Å; L238-V247 HydrophobicContact CD1-CB 4.11Å; L238-V247 HydrophobicContact CD1-CG1 3.74Å; L238-V247 HydrophobicContact CD2-CB 4.5Å; L238-V247 HydrophobicContact CD2-CG1 4.44Å; L238-V247 HydrophobicContact CD2-CG2 4.33Å
239	P	51.1	Low	62	Low	77 Å²	77	79.3 Å²	79.3	50%	0.5	45%	0.447	S	S	.	.			trans	-62.5	146.7	175.6	23.4	-30.8	0	0	0	110.8	N241 S244	P239-N241 PolarHBondContact O-N 3.34Å; P239-S244 WeakPolarHBondContact O-CB 3.32Å
240	P	53.7	Low	60.8	Low	131 Å²	131	76.5 Å²	76.5	85%	0.851	43%	0.428	S	S	*	.	S	Bend	trans	-74.7	50.7	-178	30.9	-35	0	0	0	113.3
241	N	55.1	Low	60	Low	105 Å²	105	79.3 Å²	79.3	56%	0.561	44%	0.437	S	S	*	.	S	Bend	trans	-110.7	165.2	178.3	-64.2	6.3	0	0	0	110.1	P239 K243 S244	P239-N241 PolarHBondContact O-N 3.34Å; N241-K243 PolarHBondContact O-N 3.28Å; N241-S244 WeakPolarHBondContact O-CB 3.35Å; N241-S244 PolarHBondContact O-N 3.24Å
242	D	51.9	Low	59.1	Low	143 Å²	143	86.1 Å²	86.1	77%	0.765	47%	0.466	S	S	*	.	H	α-helix	trans	-51.2	-27.5	-178.1	-68.6	-32.6	0	0	0	114.6	S244 V245 V246	D242-S244 PolarHBondContact O-N 3.4Å; D242-V245 PolarHBondContact O-N 2.99Å; D242-V246 PolarHBondContact O-N 2.89Å
243	K	49.4	Very low	58.3	Low	147 Å²	147	83.4 Å²	83.4	64%	0.639	47%	0.469	S	S	*	.	H	α-helix	trans	-68.1	-29	175.2	-63.1	-173.9	179.6	-175.4	0	113.6	N241 V246 V247	N241-K243 PolarHBondContact O-N 3.28Å; K243-V246 PolarHBondContact O-N 2.99Å; K243-V247 WeakPolarHBondContact O-CG2 3.18Å; K243-V247 PolarHBondContact O-N 2.74Å
244	S	54.8	Low	57.6	Low	12 Å²	12	82.5 Å²	82.5	8%	0.084	46%	0.455	C	S	.	.	H	α-helix	trans	-71.9	-33.9	174.8	177.9	0	0	0	0	112	L238 P239 N241 D242 V246 V247 Q248	L238-S244 WeakPolarHBondContact CB-OG 3.4Å; P239-S244 WeakPolarHBondContact O-CB 3.32Å; N241-S244 WeakPolarHBondContact O-CB 3.35Å; N241-S244 PolarHBondContact O-N 3.24Å; D242-S244 PolarHBondContact O-N 3.4Å; S244-V246 VanDerWaalsContact C-N 3.31Å; S244-V246 PolarHBondContact O-N 2.88Å; S244-V247 PolarHBondContact O-N 3.42Å; S244-Q248 WeakPolarHBondContact O-CG 3.49Å; S244-Q248 PolarHBondContact O-N 2.9Å
245	V	56	Low	56.9	Low	93 Å²	93	85.5 Å²	85.5	56%	0.564	48%	0.478	S	S	*	.	H	α-helix	trans	-64.3	-37.1	172.5	-177.9	0	0	0	0	111	D242 Q248 G249	D242-V245 PolarHBondContact O-N 2.99Å; V245-Q248 PolarHBondContact O-N 3.43Å; V245-G249 PolarHBondContact O-N 3.37Å
246	V	56.6	Low	56.5	Low	76 Å²	76	91.9 Å²	91.9	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-43.5	174.3	177.4	0	0	0	0	111.3	D242 K243 S244 G249 L250	D242-V246 PolarHBondContact O-N 2.89Å; K243-V246 PolarHBondContact O-N 2.99Å; S244-V246 VanDerWaalsContact C-N 3.31Å; S244-V246 PolarHBondContact O-N 2.88Å; V246-G249 PolarHBondContact O-N 3.13Å; V246-L250 HydrophobicContact CG1-CD1 3.97Å; V246-L250 HydrophobicContact CG1-CG 4.38Å; V246-L250 WeakPolarHBondContact O-CB 3.49Å; V246-L250 VanDerWaalsContact O-CG 3.27Å; V246-L250 WeakPolarHBondContact O-CG 3.36Å; V246-L250 PolarHBondContact O-N 3.16Å
247	V	56.5	Low	56.5	Low	18 Å²	18	93.4 Å²	93.4	11%	0.109	51%	0.51	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.6	176.8	0	0	0	0	111.5	L238 K243 S244 Y251	L238-V247 HydrophobicContact CD1-CB 4.11Å; L238-V247 HydrophobicContact CD1-CG1 3.74Å; L238-V247 HydrophobicContact CD2-CB 4.5Å; L238-V247 HydrophobicContact CD2-CG1 4.44Å; L238-V247 HydrophobicContact CD2-CG2 4.33Å; K243-V247 WeakPolarHBondContact O-CG2 3.18Å; K243-V247 PolarHBondContact O-N 2.74Å; S244-V247 PolarHBondContact O-N 3.42Å; V247-Y251 PolarHBondContact O-N 3.06Å; V247-Y251 VanDerWaalsContact O-N 3.11Å
248	Q	58.9	Low	57	Low	90 Å²	90	93.7 Å²	93.7	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-68	-36	174.3	-72	-177.9	-1.2	0	0	112.8	S244 V245 K252	S244-Q248 WeakPolarHBondContact O-CG 3.49Å; S244-Q248 PolarHBondContact O-N 2.9Å; V245-Q248 PolarHBondContact O-N 3.43Å; Q248-K252 PolarHBondContact O-N 2.85Å
249	G	62.5	Low	58.1	Low	37 Å²	37	98 Å²	98	38%	0.381	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-43.4	175.8	0	0	0	0	0	112.4	V245 V246 Y251 K252 S253	V245-G249 PolarHBondContact O-N 3.37Å; V246-G249 PolarHBondContact O-N 3.13Å; G249-Y251 PolarHBondContact O-N 3.48Å; G249-K252 PolarHBondContact O-N 3.45Å; G249-S253 PolarHBondContact O-N 2.78Å; G249-S253 VanDerWaalsContact O-N 3.14Å; G249-S253 PolarHBondContact O-OG 2.89Å
250	L	59.1	Low	59.8	Low	54 Å²	54	97.4 Å²	97.4	28%	0.283	51%	0.505	S	S	.	.	H	α-helix	trans	-57.5	-48.4	173.1	-77.8	166.2	0	0	0	110.6	V246 K252 S253 M254	V246-L250 HydrophobicContact CG1-CD1 3.97Å; V246-L250 HydrophobicContact CG1-CG 4.38Å; V246-L250 WeakPolarHBondContact O-CB 3.49Å; V246-L250 VanDerWaalsContact O-CG 3.27Å; V246-L250 WeakPolarHBondContact O-CG 3.36Å; V246-L250 PolarHBondContact O-N 3.16Å; L250-K252 VanDerWaalsContact C-N 3.35Å; L250-K252 PolarHBondContact O-N 2.94Å; L250-S253 WeakPolarHBondContact CA-OG 3.24Å; L250-S253 CarbonylContact O-C 3.59Å; L250-S253 WeakPolarHBondContact O-CA 3.45Å; L250-S253 PolarHBondContact O-N 3.29Å; L250-S253 PolarHBondContact O-OG 2.82Å; L250-M254 WeakPolarHBondContact O-CG 3.34Å; L250-M254 PolarHBondContact O-N 2.95Å
251	Y	60.3	Low	61.6	Low	86 Å²	86	91.2 Å²	91.2	34%	0.337	47%	0.465	S	S	.	.	H	α-helix	trans	-56	-45.1	177.1	-178.9	-108.5	0	0	0	112.8	I223 F235 V247 G249 S253 M254	I223-Y251 HydrophobicContact CB-CD2 4.31Å; I223-Y251 HydrophobicContact CB-CE2 4.25Å; I223-Y251 HydrophobicContact CD1-CD2 3.94Å; I223-Y251 HydrophobicContact CG2-CD2 4.01Å; I223-Y251 HydrophobicContact CG2-CE2 3.73Å; F235-Y251 HydrophobicContact CE1-CD1 4.39Å; F235-Y251 HydrophobicContact CE1-CG 4.25Å; F235-Y251 HydrophobicContact CZ-CD1 4.05Å; F235-Y251 AromaticContact CZ-CD2 3.97Å; F235-Y251 HydrophobicContact CZ-CD2 3.97Å; F235-Y251 HydrophobicContact CZ-CE1 4.18Å; F235-Y251 HydrophobicContact CZ-CE2 4.12Å; F235-Y251 AromaticContact CZ-CG 3.93Å; F235-Y251 HydrophobicContact CZ-CG 3.93Å; V247-Y251 PolarHBondContact O-N 3.06Å; V247-Y251 VanDerWaalsContact O-N 3.11Å; G249-Y251 PolarHBondContact O-N 3.48Å; Y251-S253 PolarHBondContact O-N 3.42Å; Y251-M254 PolarHBondContact O-N 3.22Å
252	K	57.8	Low	63.4	Low	183 Å²	183	86.8 Å²	86.8	80%	0.796	44%	0.441	S	S	*	.	H	α-helix	trans	-65.5	-23.1	176.7	-74.6	-177.6	-179.6	178	0	113.8	Q248 G249 L250	Q248-K252 PolarHBondContact O-N 2.85Å; G249-K252 PolarHBondContact O-N 3.45Å; L250-K252 VanDerWaalsContact C-N 3.35Å; L250-K252 PolarHBondContact O-N 2.94Å
253	S	54.6	Low	65.3	Low	86 Å²	86	80.1 Å²	80.1	60%	0.601	41%	0.406	S	S	*	.	H	α-helix	trans	-95.9	-9.5	-179.7	70.5	0	0	0	0	114.2	G249 L250 Y251	G249-S253 PolarHBondContact O-N 2.78Å; G249-S253 VanDerWaalsContact O-N 3.14Å; G249-S253 PolarHBondContact O-OG 2.89Å; L250-S253 WeakPolarHBondContact CA-OG 3.24Å; L250-S253 CarbonylContact O-C 3.59Å; L250-S253 WeakPolarHBondContact O-CA 3.45Å; L250-S253 PolarHBondContact O-N 3.29Å; L250-S253 PolarHBondContact O-OG 2.82Å; Y251-S253 PolarHBondContact O-N 3.42Å
254	M	58.8	Low	67.3	Low	39 Å²	39	76.3 Å²	76.3	19%	0.192	39%	0.392	C	S	.	.	S	Bend	trans	-78	145.6	-176.5	-69.5	-135.8	-77.6	0	0	112.1	I223 L250 Y251 K256 F258	I223-M254 HydrophobicContact CD1-CE 3.71Å; I223-M254 HydrophobicContact CG1-CE 4.04Å; L250-M254 WeakPolarHBondContact O-CG 3.34Å; L250-M254 PolarHBondContact O-N 2.95Å; Y251-M254 PolarHBondContact O-N 3.22Å; M254-K256 PolarHBondContact O-N 2.9Å; M254-F258 HydrophobicContact SD-CZ 4.35Å
255	P	54.3	Low	69.1	Low	87 Å²	87	77.8 Å²	77.8	57%	0.565	40%	0.401	S	S	*	.			trans	-60.8	134.2	175.7	-18.1	29.7	0	0	0	111.3	F257 F258	P255-F257 PolarHBondContact O-N 3.33Å; P255-F258 WeakPolarHBondContact O-CE2 3.49Å
256	K	57.8	Low	70.8	Confident	194 Å²	194	75.3 Å²	75.3	84%	0.843	38%	0.382	S	S	*	.	S	Bend	trans	-77.2	1.5	-178.2	-63.6	-176.7	178	-178.5	0	114.9	M254	M254-K256 PolarHBondContact O-N 2.9Å
257	F	61.6	Low	72.5	Confident	196 Å²	196	73.6 Å²	73.6	86%	0.86	37%	0.369	S	S	*	.			trans	-132.2	98.4	-175.5	-143.9	-90.4	0	0	0	109.1	P255	P255-F257 PolarHBondContact O-N 3.33Å
258	F	68.6	Low	74.4	Confident	69 Å²	69	75 Å²	75	30%	0.303	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-99.1	135.2	172.2	-71	-82.1	0	0	0	109.6	R222 M254 P255	R222-F258 HydrophobicContact CB-CB 4.39Å; R222-F258 HydrophobicContact CB-CD2 4.48Å; R222-F258 HydrophobicContact CB-CG 4.22Å; R222-F258 HydrophobicContact CG-CB 4.19Å; R222-F258 HydrophobicContact CG-CD1 3.87Å; R222-F258 HydrophobicContact CG-CE1 4.43Å; R222-F258 HydrophobicContact CG-CG 3.99Å; M254-F258 HydrophobicContact SD-CZ 4.35Å; P255-F258 WeakPolarHBondContact O-CE2 3.49Å
259	K	80.6	Confident	76.1	Confident	136 Å²	136	70.8 Å²	70.8	59%	0.591	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-60.1	138.8	164.3	-170	178.2	171.5	-169.5	0	107.8	D185 R222	D185-K259 IonicContact OD2-NZ 3.95Å; R222-K259 PolarHBondContact NH1-O 3.24Å
260	P	87	Confident	77.7	Confident	63 Å²	63	69 Å²	69	41%	0.409	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-61.3	152.2	170.7	24.4	-32.7	0	0	0	110.7	M264 T265	P260-M264 HydrophobicContact CB-CB 4.13Å; P260-M264 HydrophobicContact CB-SD 4.29Å; P260-T265 HydrophobicContact CB-CG2 4.14Å; P260-T265 HydrophobicContact CG-CG2 3.71Å
261	R	92.3	Very high	79.5	Confident	1 Å²	1	66.4 Å²	66.4	0%	0.004	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-64.5	150.6	169.9	-58	-77	-178.6	-179.6	1.2	108.6	L182 S184 D185 V189 E192 Q220 R222 G263 M264	L182-R261 VanDerWaalsContact O-CZ 3.29Å; L182-R261 PolarHBondContact O-NH1 3.12Å; L182-R261 PolarHBondContact O-NH2 2.83Å; L182-R261 VanDerWaalsContact O-NH2 3.11Å; S184-R261 PolarHBondContact O-NH1 3.1Å; D185-R261 CarbonylContact O-C 3.58Å; D185-R261 WeakPolarHBondContact O-CA 3.37Å; V189-R261 HydrophobicContact CG2-CB 3.73Å; V189-R261 HydrophobicContact CG2-CG 3.77Å; E192-R261 IonicContact OE1-CZ 2.89Å; E192-R261 IonicContact OE1-NE 3.24Å; E192-R261 IonicContact OE1-NH2 2.71Å; E192-R261 PolarHBondContact OE1-NH2 2.87Å; E192-R261 VanDerWaalsContact OE2-CG 3.28Å; E192-R261 WeakPolarHBondContact OE2-CG 3.48Å; E192-R261 IonicContact OE2-CZ 3.56Å; E192-R261 IonicContact OE2-NE 3.77Å; E192-R261 PolarHBondContact OE2-NE 2.82Å; E192-R261 IonicContact OE2-NH2 2.71Å; Q220-R261 PolarHBondContact O-NH2 3.02Å; R222-R261 VanDerWaalsContact NE-NE 3.15Å; R222-R261 VanDerWaalsContact NH2-CZ 3.27Å; R261-G263 VanDerWaalsContact C-N 3.26Å; R261-G263 PolarHBondContact O-N 3.27Å; R261-M264 HydrophobicContact CB-CG 4.1Å; R261-M264 HydrophobicContact CB-SD 4Å; R261-M264 HydrophobicContact CG-SD 4.16Å; R261-M264 VanDerWaalsContact O-CB 3.3Å; R261-M264 WeakPolarHBondContact O-CB 3.31Å; R261-M264 PolarHBondContact O-N 2.58Å
262	L	92	Very high	81.1	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-55.5	-40.1	-177.1	-176.8	65.8	0	0	0	112.6	D185 N186 M264 T265 Q365 Y596	D185-L262 WeakPolarHBondContact O-CB 3.45Å; D185-L262 PolarHBondContact O-N 2.97Å; N186-L262 HydrophobicContact CB-CD2 4.34Å; L262-M264 PolarHBondContact O-N 2.89Å; L262-T265 PolarHBondContact O-N 2.71Å; L262-T265 VanDerWaalsContact O-N 3.11Å; L262-T265 PolarHBondContact O-OG1 3.24Å; L262-Q365 HydrophobicContact CD2-CB 4.31Å; L262-Q365 HydrophobicContact CD2-CG 3.81Å; L262-Y596 HydrophobicContact CD1-CD1 3.81Å; L262-Y596 HydrophobicContact CD1-CE1 4.41Å; L262-Y596 HydrophobicContact CD1-CG 3.87Å; L262-Y596 HydrophobicContact CD2-CD1 4.46Å; L262-Y596 HydrophobicContact CD2-CD2 4.41Å; L262-Y596 HydrophobicContact CD2-CE1 4.35Å; L262-Y596 HydrophobicContact CD2-CE2 4.33Å; L262-Y596 HydrophobicContact CD2-CG 4.48Å; L262-Y596 HydrophobicContact CG-CD1 3.68Å; L262-Y596 HydrophobicContact CG-CD2 4.44Å; L262-Y596 HydrophobicContact CG-CE1 3.76Å; L262-Y596 HydrophobicContact CG-CG 4.03Å; L262-Y596 VanDerWaalsContact O-CD1 3.31Å; L262-Y596 WeakPolarHBondContact O-CD1 3.36Å; L262-Y596 WeakPolarHBondContact O-CE1 3.39Å
263	G	91.3	Very high	82.5	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.031	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59	-27.8	175.4	0	0	0	0	0	114.6	L187 V189 R261 T265 K266	L187-G263 PolarHBondContact O-N 3.01Å; V189-G263 CarbonylContact O-C 3.42Å; V189-G263 VanDerWaalsContact O-CA 3.28Å; V189-G263 WeakPolarHBondContact O-CA 3.4Å; R261-G263 VanDerWaalsContact C-N 3.26Å; R261-G263 PolarHBondContact O-N 3.27Å; G263-T265 VanDerWaalsContact C-N 3.3Å; G263-T265 PolarHBondContact O-N 2.93Å; G263-K266 WeakPolarHBondContact O-CG 3.35Å
264	M	91.9	Very high	83.8	Confident	68 Å²	68	50.7 Å²	50.7	34%	0.335	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-79.5	-13	-179.4	-55.1	172.5	74.7	0	0	112.7	V189 A225 P260 R261 L262	V189-M264 VanDerWaalsContact O-CG 3.3Å; V189-M264 WeakPolarHBondContact O-CG 3.2Å; V189-M264 PolarHBondContact O-N 3.43Å; V189-M264 VanDerWaalsContact O-N 3.08Å; A225-M264 HydrophobicContact CB-CE 4.44Å; P260-M264 HydrophobicContact CB-CB 4.13Å; P260-M264 HydrophobicContact CB-SD 4.29Å; R261-M264 HydrophobicContact CB-CG 4.1Å; R261-M264 HydrophobicContact CB-SD 4Å; R261-M264 HydrophobicContact CG-SD 4.16Å; R261-M264 VanDerWaalsContact O-CB 3.3Å; R261-M264 WeakPolarHBondContact O-CB 3.31Å; R261-M264 PolarHBondContact O-N 2.58Å; L262-M264 PolarHBondContact O-N 2.89Å
265	T	91.9	Very high	84.6	Confident	43 Å²	43	48.9 Å²	48.9	26%	0.264	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-97.5	5.9	179.2	68.5	0	0	0	0	113	P260 L262 G263 E267 P597	P260-T265 HydrophobicContact CB-CG2 4.14Å; P260-T265 HydrophobicContact CG-CG2 3.71Å; L262-T265 PolarHBondContact O-N 2.71Å; L262-T265 VanDerWaalsContact O-N 3.11Å; L262-T265 PolarHBondContact O-OG1 3.24Å; G263-T265 VanDerWaalsContact C-N 3.3Å; G263-T265 PolarHBondContact O-N 2.93Å; T265-E267 PolarHBondContact O-N 2.86Å; T265-P597 VanDerWaalsContact O-CD 3.27Å; T265-P597 WeakPolarHBondContact O-CD 3.42Å
266	K	92	Very high	85.8	Confident	41 Å²	41	46.8 Å²	46.8	18%	0.178	22%	0.22	C	C	.	.			trans	-61.4	131.5	178	-79.7	-176.1	173.4	-178	0	111.6	N188 G263 K594 L595 Y596	N188-K266 VanDerWaalsContact CG-NZ 3.26Å; N188-K266 PolarHBondContact ND2-NZ 2.97Å; N188-K266 VanDerWaalsContact ND2-NZ 3.1Å; N188-K266 WeakPolarHBondContact OD1-CE 3.32Å; N188-K266 PolarHBondContact OD1-NZ 3.11Å; G263-K266 WeakPolarHBondContact O-CG 3.35Å; K266-K594 HydrophobicContact CB-CB 4.17Å; K266-K594 HydrophobicContact CD-CB 4.1Å; K266-K594 HydrophobicContact CG-CB 4.42Å; K266-L595 WeakPolarHBondContact CA-O 3.4Å; K266-Y596 HydrophobicContact CD-CE1 3.88Å; K266-Y596 WeakPolarHBondContact CE-OH 3.3Å; K266-Y596 HydrophobicContact CG-CD1 3.57Å; K266-Y596 HydrophobicContact CG-CE1 3.3Å; K266-Y596 PolarHBondContact NZ-OH 2.92Å
267	E	93.4	Very high	86.5	Confident	40 Å²	40	39 Å²	39	19%	0.187	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.1	169.4	-68.1	-176.1	-169.3	0	0	109.6	T265 M269 S298 K594 L595 P597	T265-E267 PolarHBondContact O-N 2.86Å; E267-M269 HydrophobicContact CB-CE 3.81Å; E267-M269 HydrophobicContact CB-CG 4.4Å; E267-M269 PolarHBondContact O-N 2.72Å; E267-S298 WeakPolarHBondContact OE2-CB 3.47Å; E267-S298 PolarHBondContact OE2-OG 3.37Å; E267-K594 CarbonylContact O-C 3.52Å; E267-K594 WeakPolarHBondContact O-CA 3.45Å; E267-L595 PolarHBondContact N-O 3.22Å; E267-L595 PolarHBondContact O-N 3.19Å; E267-P597 HydrophobicContact CB-CG 4.26Å; E267-P597 HydrophobicContact CG-CG 3.87Å
268	E	95.1	Very high	86.7	Confident	48 Å²	48	31.4 Å²	31.4	22%	0.224	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.5	173.4	-163.5	175.5	-115.3	0	0	109.9	P299 L539 L540 V592 K594	E268-P299 WeakPolarHBondContact O-CD 3.41Å; E268-L539 HydrophobicContact CG-CD1 4.05Å; E268-L539 WeakPolarHBondContact OE2-CD1 3.41Å; E268-L540 HydrophobicContact CB-CD2 4.29Å; E268-L540 VanDerWaalsContact OE2-CA 3.27Å; E268-L540 WeakPolarHBondContact OE2-CA 3.36Å; E268-L540 VanDerWaalsContact OE2-CD2 3.25Å; E268-L540 WeakPolarHBondContact OE2-CD2 3.4Å; E268-L540 VanDerWaalsContact OE2-CG 3.24Å; E268-L540 WeakPolarHBondContact OE2-CG 3.42Å; E268-L540 PolarHBondContact OE2-N 3.03Å; E268-V592 HydrophobicContact CG-CG1 3.48Å; E268-V592 VanDerWaalsContact CG-CG1 3.48Å; E268-K594 HydrophobicContact CB-CG 4.34Å; E268-K594 HydrophobicContact CG-CG 4.43Å
269	M	95.8	Very high	86.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.5	-171.6	-59.2	-169.7	-172.9	0	0	111.5	E267 C296 Y297 Y305 V592 G593 L595 P597 L600	E267-M269 HydrophobicContact CB-CE 3.81Å; E267-M269 HydrophobicContact CB-CG 4.4Å; E267-M269 PolarHBondContact O-N 2.72Å; M269-C296 HydrophobicContact CB-CB 4.14Å; M269-C296 HydrophobicContact SD-CB 4.27Å; M269-C296 PolarHBondContact SD-SG 3.16Å; M269-Y297 CarbonylContact C-O 3.51Å; M269-Y297 WeakPolarHBondContact CA-O 3.23Å; M269-Y297 WeakPolarHBondContact CB-O 3.35Å; M269-Y305 HydrophobicContact CE-CD2 4Å; M269-Y305 HydrophobicContact CE-CE2 3.88Å; M269-Y305 HydrophobicContact SD-CD2 3.97Å; M269-Y305 HydrophobicContact SD-CE2 4.37Å; M269-V592 WeakPolarHBondContact O-CA 3.27Å; M269-G593 PolarHBondContact N-O 3.31Å; M269-G593 PolarHBondContact O-N 3.35Å; M269-G593 VanDerWaalsContact O-N 3.14Å; M269-L595 HydrophobicContact CE-CB 4.47Å; M269-L595 HydrophobicContact SD-CB 4.08Å; M269-L595 HydrophobicContact SD-CD1 4.43Å; M269-P597 HydrophobicContact CE-CB 4.31Å; M269-P597 HydrophobicContact CE-CG 3.61Å; M269-L600 HydrophobicContact SD-CD1 4.43Å
270	L	96.1	Very high	85.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.8	167.7	-63	175.7	0	0	0	108.4	F272 C296 Y297 V537 L539 F546 I560 V592	L270-F272 HydrophobicContact CB-CE1 4.21Å; L270-F272 HydrophobicContact CB-CE2 3.94Å; L270-F272 HydrophobicContact CB-CZ 3.63Å; L270-F272 HydrophobicContact CD1-CZ 4.03Å; L270-F272 HydrophobicContact CG-CZ 4.46Å; L270-C296 CarbonylContact O-C 3.06Å; L270-C296 WeakPolarHBondContact O-CA 3.28Å; L270-C296 WeakPolarHBondContact O-CB 3.32Å; L270-Y297 HydrophobicContact CD1-CD1 4.18Å; L270-Y297 PolarHBondContact N-O 2.75Å; L270-Y297 PolarHBondContact O-N 3.48Å; L270-V537 HydrophobicContact CD2-CG2 4.05Å; L270-L539 HydrophobicContact CD2-CD1 4.41Å; L270-F546 HydrophobicContact CD1-CB 4.22Å; L270-F546 HydrophobicContact CD1-CD2 3.48Å; L270-F546 VanDerWaalsContact CD1-CD2 3.48Å; L270-F546 HydrophobicContact CD1-CE2 4.13Å; L270-F546 HydrophobicContact CD1-CG 4.07Å; L270-I560 HydrophobicContact CD1-CD1 3.9Å; L270-I560 HydrophobicContact CD1-CG1 4.33Å; L270-V592 HydrophobicContact CD2-CG2 3.93Å
271	I	95.8	Very high	83	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.8	178	-54.9	172.6	0	0	0	108.3	M273 I294 C296 L307 V321 V327 C590 A591 L595	I271-M273 HydrophobicContact CG2-SD 4.03Å; I271-I294 HydrophobicContact CG2-CG2 4.33Å; I271-C296 HydrophobicContact CG1-CB 4.18Å; I271-L307 HydrophobicContact CG2-CD2 4.17Å; I271-V321 HydrophobicContact CD1-CG2 4.5Å; I271-V327 HydrophobicContact CD1-CG1 4.46Å; I271-V327 HydrophobicContact CD1-CG2 3.99Å; I271-C590 VanDerWaalsContact O-CA 3.31Å; I271-C590 WeakPolarHBondContact O-CA 3.05Å; I271-A591 PolarHBondContact N-O 3.12Å; I271-A591 PolarHBondContact O-N 3.24Å; I271-L595 HydrophobicContact CD1-CD1 3.95Å; I271-L595 HydrophobicContact CD1-CG 4.39Å; I271-L595 HydrophobicContact CG1-CD1 3.98Å
272	F	93.4	Very high	80.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.2	178.4	-56	-68.5	0	0	0	110.7	L270 A275 I294 V295 F546 L581 L584 F588 R589 C590	L270-F272 HydrophobicContact CB-CE1 4.21Å; L270-F272 HydrophobicContact CB-CE2 3.94Å; L270-F272 HydrophobicContact CB-CZ 3.63Å; L270-F272 HydrophobicContact CD1-CZ 4.03Å; L270-F272 HydrophobicContact CG-CZ 4.46Å; F272-A275 HydrophobicContact CB-CB 4.38Å; F272-I294 WeakPolarHBondContact O-CA 3.28Å; F272-V295 HydrophobicContact CB-CG2 4.02Å; F272-V295 HydrophobicContact CD2-CG2 4.17Å; F272-V295 PolarHBondContact N-O 3.35Å; F272-V295 PolarHBondContact O-N 3.46Å; F272-F546 AromaticContact CE1-CD1 3.69Å; F272-F546 HydrophobicContact CE1-CD1 3.69Å; F272-F546 HydrophobicContact CE1-CD2 4.47Å; F272-F546 AromaticContact CE1-CE1 3.55Å; F272-F546 HydrophobicContact CE1-CE1 3.55Å; F272-F546 HydrophobicContact CE1-CE2 4.34Å; F272-F546 HydrophobicContact CE1-CG 4.16Å; F272-F546 AromaticContact CE1-CZ 3.9Å; F272-F546 HydrophobicContact CE1-CZ 3.9Å; F272-F546 HydrophobicContact CE2-CZ 4.38Å; F272-F546 HydrophobicContact CZ-CD1 4.03Å; F272-F546 HydrophobicContact CZ-CD2 4.05Å; F272-F546 AromaticContact CZ-CE1 3.68Å; F272-F546 HydrophobicContact CZ-CE1 3.68Å; F272-F546 AromaticContact CZ-CE2 3.69Å; F272-F546 HydrophobicContact CZ-CE2 3.69Å; F272-F546 HydrophobicContact CZ-CG 4.2Å; F272-F546 AromaticContact CZ-CZ 3.5Å; F272-F546 HydrophobicContact CZ-CZ 3.5Å; F272-F546 VanDerWaalsContact CZ-CZ 3.5Å; F272-L581 HydrophobicContact CE2-CD2 4.48Å; F272-L584 HydrophobicContact CB-CD1 4.32Å; F272-L584 HydrophobicContact CD1-CD1 3.72Å; F272-L584 HydrophobicContact CD2-CD1 3.88Å; F272-L584 HydrophobicContact CE1-CD1 3.9Å; F272-L584 HydrophobicContact CE2-CD1 4.04Å; F272-L584 HydrophobicContact CG-CD1 3.7Å; F272-L584 HydrophobicContact CZ-CD1 4.05Å; F272-F588 AromaticContact CD1-CD2 3.71Å; F272-F588 HydrophobicContact CD1-CD2 3.71Å; F272-F588 HydrophobicContact CD1-CE2 4.01Å; F272-F588 HydrophobicContact CE1-CD2 4.22Å; F272-F588 HydrophobicContact CE1-CE2 4.04Å; F272-R589 VanDerWaalsContact CA-O 3.28Å; F272-R589 WeakPolarHBondContact CA-O 3.04Å; F272-C590 HydrophobicContact CD1-CB 4.06Å; F272-C590 HydrophobicContact CE1-CB 4.05Å; F272-C590 VanDerWaalsContact CE1-SG 3.56Å
273	M	88.9	Confident	77.8	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139	174.1	-52.2	-66.3	-74.8	0	0	108.6	I271 A275 I294 V317 T319 I329 W369 F588 R589	I271-M273 HydrophobicContact CG2-SD 4.03Å; M273-A275 VanDerWaalsContact C-N 3.28Å; M273-A275 PolarHBondContact O-N 2.63Å; M273-I294 HydrophobicContact CE-CD1 3.54Å; M273-I294 HydrophobicContact CE-CG1 4.33Å; M273-I294 HydrophobicContact SD-CD1 3.86Å; M273-I294 HydrophobicContact SD-CG1 4.17Å; M273-I294 HydrophobicContact SD-CG2 3.6Å; M273-I294 VanDerWaalsContact SD-CG2 3.6Å; M273-V317 HydrophobicContact CE-CG2 3.76Å; M273-T319 HydrophobicContact CE-CG2 4.49Å; M273-T319 HydrophobicContact CG-CG2 3.91Å; M273-T319 WeakPolarHBondContact CG-OG1 3.38Å; M273-T319 HydrophobicContact SD-CG2 4.32Å; M273-I329 HydrophobicContact CE-CG2 3.36Å; M273-W369 HydrophobicContact CE-CH2 4.32Å; M273-W369 HydrophobicContact CE-CZ2 4.29Å; M273-F588 WeakPolarHBondContact O-CA 3.2Å; M273-R589 HydrophobicContact CB-CB 4.29Å; M273-R589 PolarHBondContact N-O 3.25Å; M273-R589 PolarHBondContact O-N 2.99Å
274	E	81.6	Confident	75.5	Confident	22 Å²	22	55.7 Å²	55.7	10%	0.103	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61	33.4	179.8	-63.7	157.8	-136.5	0	0	114	T292 K316 V317	E274-T292 HydrophobicContact CB-CG2 4.22Å; E274-K316 WeakPolarHBondContact OE1-CA 3.44Å; E274-K316 PolarHBondContact OE1-N 2.81Å; E274-K316 WeakPolarHBondContact OE2-CA 3.11Å; E274-K316 PolarHBondContact OE2-N 3.03Å; E274-V317 PolarHBondContact OE1-N 2.82Å
275	A	76.3	Confident	72.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.6	170	0	0	0	0	0	109.8	F272 M273 T292 T293 V295 L584	F272-A275 HydrophobicContact CB-CB 4.38Å; M273-A275 VanDerWaalsContact C-N 3.28Å; M273-A275 PolarHBondContact O-N 2.63Å; A275-T292 CarbonylContact O-C 3.47Å; A275-T292 VanDerWaalsContact O-CA 3.22Å; A275-T292 WeakPolarHBondContact O-CA 3.42Å; A275-T293 HydrophobicContact CB-CG2 4.17Å; A275-T293 PolarHBondContact N-O 2.9Å; A275-T293 PolarHBondContact O-N 3.36Å; A275-V295 HydrophobicContact CB-CG2 3.84Å; A275-L584 HydrophobicContact CB-CD2 3.67Å
276	M	78.1	Confident	70.6	Confident	43 Å²	43	63 Å²	63	21%	0.212	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	146.1	170.4	-68.4	-164	-63.7	0	0	110.4	W582 D583 L584	M276-W582 PolarHBondContact O-NE1 2.87Å; M276-D583 HydrophobicContact CE-CB 4.13Å; M276-D583 WeakPolarHBondContact CE-O 3.25Å; M276-L584 PolarHBondContact N-O 3.33Å
277	S	72.1	Confident	68.2	Low	30 Å²	30	64 Å²	64	21%	0.21	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-64.4	148.9	177.6	-176	0	0	0	0	112.5	T279 P291	S277-T279 VanDerWaalsContact C-N 3.28Å; S277-T279 PolarHBondContact O-N 3.22Å; S277-T279 PolarHBondContact OG-OG1 3.14Å; S277-P291 VanDerWaalsContact CB-O 3.23Å; S277-P291 WeakPolarHBondContact CB-O 3.37Å; S277-P291 PolarHBondContact N-O 2.75Å
278	E	66.9	Low	66.2	Low	38 Å²	38	66 Å²	66	18%	0.178	37%	0.365	C	S	.	.	S	Bend	trans	-57.8	-35.2	177.2	-169.9	-173.3	157.4	0	0	113	Q280 K306 W582 S603 W605	E278-Q280 PolarHBondContact O-N 2.64Å; E278-K306 WeakPolarHBondContact OE2-CE 3.05Å; E278-K306 IonicContact OE2-NZ 3.93Å; E278-K306 PolarHBondContact OE2-NZ 3.07Å; E278-W582 HydrophobicContact CB-CD2 4.38Å; E278-W582 HydrophobicContact CB-CZ2 4.31Å; E278-W582 HydrophobicContact CG-CD2 4.44Å; E278-W582 HydrophobicContact CG-CE3 4.32Å; E278-S603 PolarHBondContact OE2-OG 2.85Å; E278-W605 HydrophobicContact CG-CB 4.31Å; E278-W605 HydrophobicContact CG-CD2 4.18Å; E278-W605 HydrophobicContact CG-CE3 3.31Å; E278-W605 HydrophobicContact CG-CZ3 3.93Å; E278-W605 WeakPolarHBondContact O-CZ3 3.32Å; E278-W605 WeakPolarHBondContact OE1-CA 3.24Å; E278-W605 PolarHBondContact OE1-N 2.87Å
279	T	58.3	Low	64.2	Low	111 Å²	111	66 Å²	66	68%	0.681	37%	0.37	S	S	*	.			trans	-89.8	80.3	-175.6	47.3	0	0	0	0	112.8	S277 G281	S277-T279 VanDerWaalsContact C-N 3.28Å; S277-T279 PolarHBondContact O-N 3.22Å; S277-T279 PolarHBondContact OG-OG1 3.14Å; T279-G281 VanDerWaalsContact C-N 3.28Å; T279-G281 PolarHBondContact O-N 3.03Å; T279-G281 VanDerWaalsContact O-N 3.12Å
280	Q	56.2	Low	62.4	Low	141 Å²	141	68.7 Å²	68.7	66%	0.659	39%	0.393	S	S	*	.			trans	-79.6	81.1	158.3	-72.3	-168.3	6.7	0	0	109.5	E278	E278-Q280 PolarHBondContact O-N 2.64Å
281	G	43.2	Very low	60.9	Low	49 Å²	49	72.4 Å²	72.4	51%	0.505	42%	0.416	S	S	.	.			trans	-131.9	96.8	178.6	0	0	0	0	0	112.3	T279 T283	T279-G281 VanDerWaalsContact C-N 3.28Å; T279-G281 PolarHBondContact O-N 3.03Å; T279-G281 VanDerWaalsContact O-N 3.12Å; G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 3.27Å
282	E	38.4	Very low	59.8	Low	203 Å²	203	74.5 Å²	74.5	95%	0.949	43%	0.429	S	S	*	.	S	Bend	trans	44.5	-3.3	150.6	-67.1	-173.2	155.6	0	0	123.7
283	T	37	Very low	59.4	Low	110 Å²	110	75.6 Å²	75.6	68%	0.675	44%	0.436	S	S	*	.			trans	-134.3	43.1	-168.3	-27	0	0	0	0	116.5	G281	G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 3.27Å
284	Y	43	Very low	59.5	Low	180 Å²	180	75.8 Å²	75.8	71%	0.706	44%	0.437	S	S	*	.			trans	-145.2	81.5	166.6	-65.6	-75.5	0	0	0	112.8
285	V	38.2	Very low	60	Low	150 Å²	150	74.7 Å²	74.7	91%	0.909	43%	0.432	S	S	*	.	S	Bend	trans	-86.1	10.3	167.3	-173.6	0	0	0	0	111.3
286	T	42.3	Very low	60.9	Low	115 Å²	115	74.7 Å²	74.7	71%	0.706	43%	0.432	S	S	*	.	S	Bend	trans	-123.7	-1.2	-171.3	49.7	0	0	0	0	116.2
287	S	42.6	Very low	61.7	Low	61 Å²	61	72.8 Å²	72.8	43%	0.427	42%	0.422	S	S	.	.			trans	-115	129.3	169.5	61.9	0	0	0	0	111.4	S289	S287-S289 PolarHBondContact O-N 3.32Å
288	T	49.8	Very low	62.8	Low	82 Å²	82	71.3 Å²	71.3	50%	0.503	41%	0.412	S	S	.	.	S	Bend	trans	-75.6	1.7	-176.5	42.1	0	0	0	0	115.1	L349 A351	T288-L349 WeakPolarHBondContact CG2-O 3.39Å; T288-A351 PolarHBondContact OG1-N 3.33Å
289	S	53.7	Low	64	Low	47 Å²	47	70 Å²	70	33%	0.329	41%	0.407	S	S	.	.	S	Bend	trans	-140.4	130.2	176.2	54.6	0	0	0	0	109.9	S287	S287-S289 PolarHBondContact O-N 3.32Å
290	A	57.4	Low	65.6	Low	58 Å²	58	72 Å²	72	48%	0.479	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-57.5	141.5	171.6	0	0	0	0	0	109.9	T292	A290-T292 PolarHBondContact O-N 3Å
291	P	64.9	Low	67.3	Low	77 Å²	77	67 Å²	67	50%	0.5	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59.8	129.1	174.6	22.7	-29.1	0	0	0	109.1	S277	S277-P291 VanDerWaalsContact CB-O 3.23Å; S277-P291 WeakPolarHBondContact CB-O 3.37Å; S277-P291 PolarHBondContact N-O 2.75Å
292	T	73.4	Confident	69.7	Low	44 Å²	44	69.5 Å²	69.5	27%	0.27	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.1	176	54.5	0	0	0	0	110	E274 A275 A290 Q315	E274-T292 HydrophobicContact CB-CG2 4.22Å; A275-T292 CarbonylContact O-C 3.47Å; A275-T292 VanDerWaalsContact O-CA 3.22Å; A275-T292 WeakPolarHBondContact O-CA 3.42Å; A290-T292 PolarHBondContact O-N 3Å; T292-Q315 PolarHBondContact OG1-NE2 3.2Å
293	T	84.6	Confident	72.3	Confident	23 Å²	23	63.4 Å²	63.4	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	163.9	176.8	-169.3	0	0	0	0	110.4	A275 V295 W582	A275-T293 HydrophobicContact CB-CG2 4.17Å; A275-T293 PolarHBondContact N-O 2.9Å; A275-T293 PolarHBondContact O-N 3.36Å; T293-V295 HydrophobicContact CG2-CG1 3.76Å; T293-W582 HydrophobicContact CG2-CZ2 4.03Å
294	I	90.4	Very high	75.1	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.1	168.3	-54.2	-179.3	0	0	0	108.5	I271 F272 M273 L307 P310 W369	I271-I294 HydrophobicContact CG2-CG2 4.33Å; F272-I294 WeakPolarHBondContact O-CA 3.28Å; M273-I294 HydrophobicContact CE-CD1 3.54Å; M273-I294 HydrophobicContact CE-CG1 4.33Å; M273-I294 HydrophobicContact SD-CD1 3.86Å; M273-I294 HydrophobicContact SD-CG1 4.17Å; M273-I294 HydrophobicContact SD-CG2 3.6Å; M273-I294 VanDerWaalsContact SD-CG2 3.6Å; I294-L307 HydrophobicContact CB-CB 4.06Å; I294-L307 HydrophobicContact CG2-CB 3.74Å; I294-L307 HydrophobicContact CG2-CD2 3.89Å; I294-L307 HydrophobicContact CG2-CG 4.29Å; I294-L307 PolarHBondContact O-N 2.98Å; I294-L307 VanDerWaalsContact O-N 3.07Å; I294-P310 HydrophobicContact CD1-CG 4.2Å; I294-W369 HydrophobicContact CD1-CZ2 3.91Å
295	V	93	Very high	77.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.3	-178.9	-66.8	0	0	0	0	109.4	F272 A275 T293 V304 Y305 W582 L584	F272-V295 HydrophobicContact CB-CG2 4.02Å; F272-V295 HydrophobicContact CD2-CG2 4.17Å; F272-V295 PolarHBondContact N-O 3.35Å; F272-V295 PolarHBondContact O-N 3.46Å; A275-V295 HydrophobicContact CB-CG2 3.84Å; T293-V295 HydrophobicContact CG2-CG1 3.76Å; V295-V304 HydrophobicContact CB-CG1 3.97Å; V295-V304 HydrophobicContact CG1-CG1 4.36Å; V295-Y305 CarbonylContact C-O 3.55Å; V295-Y305 VanDerWaalsContact CA-O 3.29Å; V295-Y305 WeakPolarHBondContact CA-O 3.36Å; V295-W582 HydrophobicContact CB-CH2 4.31Å; V295-W582 HydrophobicContact CG1-CH2 3.55Å; V295-W582 HydrophobicContact CG1-CZ2 3.81Å; V295-W582 HydrophobicContact CG2-CH2 4.37Å; V295-W582 HydrophobicContact CG2-CZ2 4.32Å; V295-L584 HydrophobicContact CG2-CD2 4.29Å
296	C	95	Very high	80.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.9	169.9	64.8	0	0	0	0	111.1	M269 L270 I271 V304 Y305 L307 L595	M269-C296 HydrophobicContact CB-CB 4.14Å; M269-C296 HydrophobicContact SD-CB 4.27Å; M269-C296 PolarHBondContact SD-SG 3.16Å; L270-C296 CarbonylContact O-C 3.06Å; L270-C296 WeakPolarHBondContact O-CA 3.28Å; L270-C296 WeakPolarHBondContact O-CB 3.32Å; I271-C296 HydrophobicContact CG1-CB 4.18Å; C296-V304 CarbonylContact O-C 3.57Å; C296-V304 VanDerWaalsContact O-CA 3.31Å; C296-V304 WeakPolarHBondContact O-CA 3.28Å; C296-Y305 PolarHBondContact N-O 3.26Å; C296-Y305 PolarHBondContact O-N 3.23Å; C296-L307 HydrophobicContact CB-CD1 3.75Å; C296-L307 WeakPolarHBondContact SG-CD1 3.2Å; C296-L595 HydrophobicContact CB-CD1 4.07Å
297	Y	95.3	Very high	82.5	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.7	176.7	171.2	-110.2	0	0	0	109.3	M269 L270 P299 K303 V304 I560 Q574 V576 V580	M269-Y297 CarbonylContact C-O 3.51Å; M269-Y297 WeakPolarHBondContact CA-O 3.23Å; M269-Y297 WeakPolarHBondContact CB-O 3.35Å; L270-Y297 HydrophobicContact CD1-CD1 4.18Å; L270-Y297 PolarHBondContact N-O 2.75Å; L270-Y297 PolarHBondContact O-N 3.48Å; Y297-P299 HydrophobicContact CD1-CG 4.16Å; Y297-P299 HydrophobicContact CE1-CB 4.1Å; Y297-P299 HydrophobicContact CE1-CG 4.06Å; Y297-P299 WeakPolarHBondContact O-CD 3.48Å; Y297-K303 WeakPolarHBondContact CA-O 3.29Å; Y297-K303 WeakPolarHBondContact CD2-O 3.41Å; Y297-V304 HydrophobicContact CD2-CG2 3.95Å; Y297-I560 HydrophobicContact CE1-CD1 4.08Å; Y297-Q574 PolarHBondContact OH-NE2 3.42Å; Y297-V576 HydrophobicContact CE1-CG1 4.42Å; Y297-V576 HydrophobicContact CE1-CG2 3.95Å; Y297-V576 HydrophobicContact CE2-CG1 4.15Å; Y297-V580 HydrophobicContact CD2-CG1 4.18Å; Y297-V580 HydrophobicContact CE2-CG1 3.91Å
298	S	95.1	Very high	84.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.3	168.6	175.2	0	0	0	0	109.2	E267 Q300 A301 E302 K303	E267-S298 WeakPolarHBondContact OE2-CB 3.47Å; E267-S298 PolarHBondContact OE2-OG 3.37Å; S298-Q300 PolarHBondContact O-N 2.78Å; S298-A301 WeakPolarHBondContact OG-CB 3.09Å; S298-A301 PolarHBondContact OG-N 2.83Å; S298-A301 VanDerWaalsContact OG-N 3.08Å; S298-E302 VanDerWaalsContact O-CA 3.3Å; S298-E302 WeakPolarHBondContact O-CA 3.1Å; S298-E302 PolarHBondContact O-N 3.27Å; S298-K303 PolarHBondContact N-O 2.97Å; S298-K303 PolarHBondContact O-N 3.17Å
299	P	93	Very high	86.7	Confident	11 Å²	11	39.6 Å²	39.6	7%	0.071	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.1	174.4	-19.6	33.6	0	0	0	112.1	E268 Y297 L539 I560 Q574	E268-P299 WeakPolarHBondContact O-CD 3.41Å; Y297-P299 HydrophobicContact CD1-CG 4.16Å; Y297-P299 HydrophobicContact CE1-CB 4.1Å; Y297-P299 HydrophobicContact CE1-CG 4.06Å; Y297-P299 WeakPolarHBondContact O-CD 3.48Å; P299-L539 HydrophobicContact CG-CD1 4.45Å; P299-L539 HydrophobicContact CG-CD2 4.04Å; P299-I560 HydrophobicContact CB-CD1 4.19Å; P299-I560 HydrophobicContact CG-CD1 4.11Å; P299-Q574 PolarHBondContact O-NE2 2.9Å; P299-Q574 PolarHBondContact O-OE1 3.23Å
300	Q	91.7	Very high	88.4	Confident	153 Å²	153	37.9 Å²	37.9	72%	0.715	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.9	-179.4	-178.2	177.1	2.3	0	0	112.2	S298	S298-Q300 PolarHBondContact O-N 2.78Å
301	A	92.2	Very high	89.9	Confident	36 Å²	36	38.2 Å²	38.2	30%	0.298	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.3	-179.5	0	0	0	0	0	113.1	S298 K303	S298-A301 WeakPolarHBondContact OG-CB 3.09Å; S298-A301 PolarHBondContact OG-N 2.83Å; S298-A301 VanDerWaalsContact OG-N 3.08Å; A301-K303 VanDerWaalsContact C-N 3.26Å; A301-K303 HydrophobicContact CB-CB 4.24Å; A301-K303 HydrophobicContact CB-CD 4.22Å; A301-K303 HydrophobicContact CB-CG 4.36Å; A301-K303 WeakPolarHBondContact O-CG 3.27Å; A301-K303 PolarHBondContact O-N 2.74Å
302	E	92.8	Very high	90.9	Very high	101 Å²	101	36.7 Å²	36.7	47%	0.472	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	44.7	-170.3	-61.3	-166.4	167.6	0	0	112.7	S298 Q574 V580	S298-E302 VanDerWaalsContact O-CA 3.3Å; S298-E302 WeakPolarHBondContact O-CA 3.1Å; S298-E302 PolarHBondContact O-N 3.27Å; E302-Q574 VanDerWaalsContact CG-NE2 3.28Å; E302-Q574 PolarHBondContact OE1-NE2 3.18Å; E302-V580 VanDerWaalsContact O-CG1 3.28Å; E302-V580 WeakPolarHBondContact O-CG1 3.28Å
303	K	93.6	Very high	91.4	Very high	74 Å²	74	39.6 Å²	39.6	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.8	-175.5	-76	176	173.4	-144.2	0	111.7	Y297 S298 A301 Y305 E602	Y297-K303 WeakPolarHBondContact CA-O 3.29Å; Y297-K303 WeakPolarHBondContact CD2-O 3.41Å; S298-K303 PolarHBondContact N-O 2.97Å; S298-K303 PolarHBondContact O-N 3.17Å; A301-K303 VanDerWaalsContact C-N 3.26Å; A301-K303 HydrophobicContact CB-CB 4.24Å; A301-K303 HydrophobicContact CB-CD 4.22Å; A301-K303 HydrophobicContact CB-CG 4.36Å; A301-K303 WeakPolarHBondContact O-CG 3.27Å; A301-K303 PolarHBondContact O-N 2.74Å; K303-Y305 HydrophobicContact CB-CE2 3.78Å; K303-Y305 WeakPolarHBondContact CD-OH 3.29Å; K303-E602 WeakPolarHBondContact CD-OE1 3.18Å; K303-E602 WeakPolarHBondContact CE-OE1 3.46Å; K303-E602 VanDerWaalsContact NZ-CD 3.25Å; K303-E602 IonicContact NZ-OE1 3.36Å; K303-E602 PolarHBondContact NZ-OE1 3.32Å; K303-E602 IonicContact NZ-OE2 2.69Å; K303-E602 PolarHBondContact NZ-OE2 2.9Å
304	V	94.7	Very high	91.6	Very high	4 Å²	4	39 Å²	39	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.3	172.9	177.2	0	0	0	0	109	V295 C296 Y297 V580 L581 W582 S603	V295-V304 HydrophobicContact CB-CG1 3.97Å; V295-V304 HydrophobicContact CG1-CG1 4.36Å; C296-V304 CarbonylContact O-C 3.57Å; C296-V304 VanDerWaalsContact O-CA 3.31Å; C296-V304 WeakPolarHBondContact O-CA 3.28Å; Y297-V304 HydrophobicContact CD2-CG2 3.95Å; V304-V580 HydrophobicContact CG2-CG1 3.84Å; V304-V580 VanDerWaalsContact CG2-O 3.31Å; V304-V580 WeakPolarHBondContact CG2-O 3.32Å; V304-L581 HydrophobicContact CG2-CB 4.39Å; V304-L581 HydrophobicContact CG2-CD1 3.6Å; V304-W582 HydrophobicContact CG1-CH2 4.08Å; V304-W582 HydrophobicContact CG1-CZ3 3.93Å; V304-S603 PolarHBondContact O-N 3.12Å
305	Y	94.6	Very high	91.5	Very high	14 Å²	14	39.8 Å²	39.8	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.5	175.9	-54.9	-91.2	0	0	0	110.6	M269 V295 C296 K303 P597 L600 E601 E602	M269-Y305 HydrophobicContact CE-CD2 4Å; M269-Y305 HydrophobicContact CE-CE2 3.88Å; M269-Y305 HydrophobicContact SD-CD2 3.97Å; M269-Y305 HydrophobicContact SD-CE2 4.37Å; V295-Y305 CarbonylContact C-O 3.55Å; V295-Y305 VanDerWaalsContact CA-O 3.29Å; V295-Y305 WeakPolarHBondContact CA-O 3.36Å; C296-Y305 PolarHBondContact N-O 3.26Å; C296-Y305 PolarHBondContact O-N 3.23Å; K303-Y305 HydrophobicContact CB-CE2 3.78Å; K303-Y305 WeakPolarHBondContact CD-OH 3.29Å; Y305-P597 HydrophobicContact CE1-CB 4.19Å; Y305-L600 HydrophobicContact CD1-CB 4.05Å; Y305-L600 HydrophobicContact CG-CB 4.17Å; Y305-L600 HydrophobicContact CG-CD1 4.33Å; Y305-E601 CarbonylContact C-O 3.5Å; Y305-E601 VanDerWaalsContact CA-O 3.25Å; Y305-E601 WeakPolarHBondContact CA-O 3.47Å; Y305-E602 HydrophobicContact CD1-CB 4.1Å; Y305-E602 HydrophobicContact CE1-CB 4.08Å; Y305-E602 HydrophobicContact CE1-CG 4.37Å
306	K	92.1	Very high	91.3	Very high	52 Å²	52	43.3 Å²	43.3	23%	0.226	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128	178.5	-65.9	-179.5	177.5	178.6	0	109.9	E278 E601	E278-K306 WeakPolarHBondContact OE2-CE 3.05Å; E278-K306 IonicContact OE2-NZ 3.93Å; E278-K306 PolarHBondContact OE2-NZ 3.07Å; K306-E601 PolarHBondContact N-O 3.22Å
307	L	92.3	Very high	91.1	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-92.4	152.6	166.9	-81.1	71	0	0	0	108.8	I271 I294 C296 F362 N367 L595 L600	I271-L307 HydrophobicContact CG2-CD2 4.17Å; I294-L307 HydrophobicContact CB-CB 4.06Å; I294-L307 HydrophobicContact CG2-CB 3.74Å; I294-L307 HydrophobicContact CG2-CD2 3.89Å; I294-L307 HydrophobicContact CG2-CG 4.29Å; I294-L307 PolarHBondContact O-N 2.98Å; I294-L307 VanDerWaalsContact O-N 3.07Å; C296-L307 HydrophobicContact CB-CD1 3.75Å; C296-L307 WeakPolarHBondContact SG-CD1 3.2Å; L307-F362 HydrophobicContact CB-CZ 4.4Å; L307-F362 HydrophobicContact CD2-CE1 3.93Å; L307-F362 HydrophobicContact CD2-CE2 4.39Å; L307-F362 HydrophobicContact CD2-CZ 3.85Å; L307-F362 HydrophobicContact CG-CE1 4.3Å; L307-F362 HydrophobicContact CG-CZ 3.88Å; L307-N367 WeakPolarHBondContact CA-OD1 2.95Å; L307-L595 HydrophobicContact CD1-CD1 4.23Å; L307-L595 HydrophobicContact CD2-CD1 4.39Å; L307-L600 HydrophobicContact CD1-CD2 4.49Å; L307-L600 HydrophobicContact CG-CD2 4.44Å
308	C	91.5	Very high	91	Very high	35 Å²	35	43.3 Å²	43.3	24%	0.236	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-61.4	141.8	172.4	74.5	0	0	0	0	110.5	N367 A368 W369	C308-N367 WeakPolarHBondContact CB-O 3.32Å; C308-N367 PolarHBondContact N-OD1 2.69Å; C308-N367 VanDerWaalsContact SG-C 3.57Å; C308-N367 PolarHBondContact SG-O 3.17Å; C308-A368 VanDerWaalsContact SG-CA 3.54Å; C308-W369 PolarHBondContact O-NE1 3.28Å
309	N	89.4	Confident	91	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-71.9	145.4	175.5	-72	-37.1	0	0	0	110.6
310	P	89.8	Confident	91.1	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.071	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-68.3	153.6	178	30.1	-35.3	0	0	0	110.5	I294 G312 L314 I329 W369	I294-P310 HydrophobicContact CD1-CG 4.2Å; P310-G312 PolarHBondContact O-N 3.19Å; P310-L314 HydrophobicContact CB-CB 4.01Å; P310-L314 HydrophobicContact CB-CD2 4.41Å; P310-L314 HydrophobicContact CG-CB 3.85Å; P310-L314 WeakPolarHBondContact CG-O 3.31Å; P310-I329 HydrophobicContact CB-CD1 3.78Å; P310-W369 HydrophobicContact CB-CG 4.46Å
311	P	89.3	Confident	91.4	Very high	65 Å²	65	39.1 Å²	39.1	42%	0.422	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.6	-177.5	-25.6	35.3	0	0	0	113.2	F360	P311-F360 HydrophobicContact CB-CZ 4.44Å; P311-F360 HydrophobicContact CG-CE1 3.8Å; P311-F360 HydrophobicContact CG-CZ 4.04Å
312	G	84.3	Confident	91.5	Very high	45 Å²	45	37.8 Å²	37.8	46%	0.464	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	27.4	172.3	0	0	0	0	0	115.1	P310 L314 I334	P310-G312 PolarHBondContact O-N 3.19Å; G312-L314 PolarHBondContact O-N 2.76Å; G312-I334 VanDerWaalsContact O-CG2 3.31Å; G312-I334 WeakPolarHBondContact O-CG2 3.41Å
313	D	84.6	Confident	91.4	Very high	106 Å²	106	38 Å²	38	57%	0.567	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	42	-178.4	-54.1	-40.4	0	0	0	111.9	Q315 P335	D313-Q315 PolarHBondContact O-N 3.2Å; D313-P335 HydrophobicContact CB-CG 4.07Å
314	L	89.5	Confident	91.2	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.052	22%	0.219	C	C	.	.			trans	-62.7	125.8	-177.2	-175.5	66	0	0	0	110.6	P310 G312 V317 I329 G331 I334 V356 F360	P310-L314 HydrophobicContact CB-CB 4.01Å; P310-L314 HydrophobicContact CB-CD2 4.41Å; P310-L314 HydrophobicContact CG-CB 3.85Å; P310-L314 WeakPolarHBondContact CG-O 3.31Å; G312-L314 PolarHBondContact O-N 2.76Å; L314-V317 HydrophobicContact CD1-CG1 4.37Å; L314-V317 HydrophobicContact CD2-CG1 3.58Å; L314-V317 HydrophobicContact CG-CG1 3.52Å; L314-I329 HydrophobicContact CD2-CD1 4.29Å; L314-G331 WeakPolarHBondContact CD1-O 3.36Å; L314-I334 HydrophobicContact CB-CG1 4.48Å; L314-I334 HydrophobicContact CD1-CD1 4.21Å; L314-I334 HydrophobicContact CD1-CG1 3.7Å; L314-V356 HydrophobicContact CD1-CG2 3.46Å; L314-V356 VanDerWaalsContact CD1-CG2 3.46Å; L314-F360 HydrophobicContact CD2-CD2 4.31Å; L314-F360 HydrophobicContact CD2-CE2 3.95Å
315	Q	87.7	Confident	91	Very high	24 Å²	24	39 Å²	39	11%	0.112	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-129.3	166	-179	-68.8	173.1	-0.5	0	0	110.9	T292 D313 G332 Q333	T292-Q315 PolarHBondContact OG1-NE2 3.2Å; D313-Q315 PolarHBondContact O-N 3.2Å; Q315-G332 CarbonylContact O-C 3.45Å; Q315-G332 WeakPolarHBondContact O-CA 3.38Å; Q315-Q333 HydrophobicContact CB-CG 4.44Å; Q315-Q333 PolarHBondContact N-O 3.44Å; Q315-Q333 PolarHBondContact O-N 3.27Å
316	K	88.1	Confident	90.9	Very high	73 Å²	73	38.8 Å²	38.8	32%	0.317	23%	0.226	S	C	.	.	S	Bend	trans	59.1	43.7	178.5	-61.6	-169.2	-174	165.9	0	112.4	E274 G332 Q333 I380 K381	E274-K316 WeakPolarHBondContact OE1-CA 3.44Å; E274-K316 PolarHBondContact OE1-N 2.81Å; E274-K316 WeakPolarHBondContact OE2-CA 3.11Å; E274-K316 PolarHBondContact OE2-N 3.03Å; K316-G332 WeakPolarHBondContact O-CA 3.36Å; K316-Q333 HydrophobicContact CB-CG 4.24Å; K316-Q333 HydrophobicContact CD-CG 4.22Å; K316-Q333 HydrophobicContact CG-CG 4.31Å; K316-I380 HydrophobicContact CB-CG2 3.38Å; K316-I380 HydrophobicContact CD-CG2 3.7Å; K316-I380 HydrophobicContact CG-CG2 4.22Å; K316-K381 HydrophobicContact CB-CD 4.46Å; K316-K381 HydrophobicContact CB-CG 3.94Å; K316-K381 WeakPolarHBondContact O-CA 3.41Å; K316-K381 PolarHBondContact O-N 3.14Å
317	V	92.2	Very high	91.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	22%	0.216	C	C	.	.			trans	-83	155.3	-176.2	-60.6	0	0	0	0	112.2	M273 E274 L314 I329 R589	M273-V317 HydrophobicContact CE-CG2 3.76Å; E274-V317 PolarHBondContact OE1-N 2.82Å; L314-V317 HydrophobicContact CD1-CG1 4.37Å; L314-V317 HydrophobicContact CD2-CG1 3.58Å; L314-V317 HydrophobicContact CG-CG1 3.52Å; V317-I329 HydrophobicContact CB-CB 4.28Å; V317-I329 HydrophobicContact CG2-CB 4.18Å; V317-I329 HydrophobicContact CG2-CG2 4.12Å; V317-R589 PolarHBondContact O-NH1 2.63Å
318	G	92.7	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.1	155.9	0	0	0	0	0	109.5	I329 A330 P382 L384	G318-I329 WeakPolarHBondContact O-CA 3.4Å; G318-A330 PolarHBondContact N-O 2.86Å; G318-A330 PolarHBondContact O-N 2.77Å; G318-A330 VanDerWaalsContact O-N 3.1Å; G318-P382 VanDerWaalsContact CA-O 3.27Å; G318-P382 WeakPolarHBondContact CA-O 3.16Å; G318-L384 VanDerWaalsContact C-CD1 3.5Å
319	T	94.8	Very high	91.6	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.153	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.2	-179.1	-50.2	0	0	0	0	109.4	M273 Y328 I329 A591	M273-T319 HydrophobicContact CE-CG2 4.49Å; M273-T319 HydrophobicContact CG-CG2 3.91Å; M273-T319 WeakPolarHBondContact CG-OG1 3.38Å; M273-T319 HydrophobicContact SD-CG2 4.32Å; T319-Y328 WeakPolarHBondContact CA-O 3.43Å; T319-I329 HydrophobicContact CG2-CG2 4.35Å; T319-A591 HydrophobicContact CG2-CB 4.06Å
320	L	96.2	Very high	91.9	Very high	17 Å²	17	31 Å²	31	9%	0.089	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139	-179.4	174.1	64	0	0	0	109.7	T322 V327 Y328 L384 I391	L320-T322 HydrophobicContact CD2-CG2 4.29Å; L320-T322 HydrophobicContact CG-CG2 4.4Å; L320-V327 CarbonylContact O-C 3.52Å; L320-V327 WeakPolarHBondContact O-CA 3.39Å; L320-Y328 PolarHBondContact N-O 2.8Å; L320-Y328 PolarHBondContact O-N 3.09Å; L320-L384 HydrophobicContact CB-CB 3.71Å; L320-L384 HydrophobicContact CB-CD1 4.21Å; L320-L384 HydrophobicContact CD2-CB 4.32Å; L320-I391 HydrophobicContact CD2-CB 4.24Å; L320-I391 HydrophobicContact CD2-CD1 4.17Å; L320-I391 HydrophobicContact CD2-CG1 3.81Å; L320-I391 HydrophobicContact CD2-CG2 3.66Å
321	V	96.3	Very high	92	Very high	33 Å²	33	30.5 Å²	30.5	20%	0.2	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	161.7	-174.4	0	0	0	0	107.3	I271 D326 V327 A591 V592	I271-V321 HydrophobicContact CD1-CG2 4.5Å; V321-D326 WeakPolarHBondContact CA-O 3.32Å; V321-V327 HydrophobicContact CG1-CG2 4.5Å; V321-V327 HydrophobicContact CG2-CG1 4.44Å; V321-V327 HydrophobicContact CG2-CG2 4.02Å; V321-A591 HydrophobicContact CG2-CB 4.01Å; V321-V592 VanDerWaalsContact CB-O 3.28Å; V321-V592 WeakPolarHBondContact CB-O 3.46Å; V321-V592 WeakPolarHBondContact CG1-O 3.44Å; V321-V592 VanDerWaalsContact CG2-O 3.28Å; V321-V592 WeakPolarHBondContact CG2-O 3.4Å
322	T	94.9	Very high	92.1	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.055	16%	0.16	C	C	.	.			trans	-79.8	163.8	-179.9	61.8	0	0	0	0	111.1	L320 D324 N325 D326 Y328 Y386 I391	L320-T322 HydrophobicContact CD2-CG2 4.29Å; L320-T322 HydrophobicContact CG-CG2 4.4Å; T322-D324 PolarHBondContact O-N 2.95Å; T322-N325 WeakPolarHBondContact O-CA 3.26Å; T322-N325 PolarHBondContact O-N 2.82Å; T322-D326 PolarHBondContact N-O 2.85Å; T322-D326 WeakPolarHBondContact OG1-CB 3.44Å; T322-D326 PolarHBondContact OG1-N 2.84Å; T322-D326 PolarHBondContact OG1-O 3.32Å; T322-Y328 HydrophobicContact CG2-CD2 3.92Å; T322-Y328 HydrophobicContact CG2-CE2 3.78Å; T322-Y386 HydrophobicContact CG2-CD2 3.63Å; T322-Y386 HydrophobicContact CG2-CE2 4.21Å; T322-Y386 HydrophobicContact CG2-CG 4.18Å; T322-I391 HydrophobicContact CG2-CD1 4.27Å; T322-I391 HydrophobicContact CG2-CG1 4.44Å
323	P	91	Very high	92.3	Very high	106 Å²	106	25.9 Å²	25.9	69%	0.688	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.6	172.2	-26.3	36.1	0	0	0	113.7	N325 Y386	P323-N325 PolarHBondContact O-N 3Å; P323-Y386 HydrophobicContact CG-CD1 3.68Å; P323-Y386 HydrophobicContact CG-CE1 3.92Å; P323-Y386 HydrophobicContact CG-CG 4.49Å
324	D	88.4	Confident	92.5	Very high	67 Å²	67	22.4 Å²	22.4	36%	0.358	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	5.2	173.4	-83.8	2.4	0	0	0	113.3	K160 R163 T322 D326	K160-D324 IonicContact NZ-OD2 3.65Å; R163-D324 IonicContact CZ-OD2 2.81Å; R163-D324 IonicContact NH1-OD2 3.78Å; R163-D324 PolarHBondContact NH1-OD2 3.12Å; T322-D324 PolarHBondContact O-N 2.95Å; D324-D326 VanDerWaalsContact C-N 3.26Å; D324-D326 PolarHBondContact O-N 2.93Å
325	N	91.7	Very high	92.4	Very high	30 Å²	30	24 Å²	24	16%	0.16	13%	0.133	C	C	.	.			trans	63.9	25.5	179.6	-167.1	74.6	0	0	0	114.4	T322 P323 K594	T322-N325 WeakPolarHBondContact O-CA 3.26Å; T322-N325 PolarHBondContact O-N 2.82Å; P323-N325 PolarHBondContact O-N 3Å; N325-K594 PolarHBondContact ND2-O 2.69Å; N325-K594 WeakPolarHBondContact OD1-CA 3.41Å; N325-K594 VanDerWaalsContact OD1-CB 3.29Å; N325-K594 WeakPolarHBondContact OD1-CB 3.42Å; N325-K594 PolarHBondContact OD1-N 2.64Å
326	D	93	Very high	92.1	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.059	15%	0.146	C	C	.	.			trans	-84.7	134	168.1	-65.1	-42.6	0	0	0	110.4	H159 K160 V321 T322 D324 Y328 W361	H159-D326 IonicContact CD2-OD1 3.31Å; H159-D326 IonicContact CE1-OD1 3.45Å; H159-D326 IonicContact NE2-OD1 3.76Å; H159-D326 PolarHBondContact NE2-OD1 2.93Å; K160-D326 VanDerWaalsContact NZ-CG 3.27Å; K160-D326 IonicContact NZ-OD1 3.19Å; K160-D326 PolarHBondContact NZ-OD1 3.09Å; K160-D326 IonicContact NZ-OD2 2.9Å; K160-D326 PolarHBondContact NZ-OD2 2.83Å; V321-D326 WeakPolarHBondContact CA-O 3.32Å; T322-D326 PolarHBondContact N-O 2.85Å; T322-D326 WeakPolarHBondContact OG1-CB 3.44Å; T322-D326 PolarHBondContact OG1-N 2.84Å; T322-D326 PolarHBondContact OG1-O 3.32Å; D324-D326 VanDerWaalsContact C-N 3.26Å; D324-D326 PolarHBondContact O-N 2.93Å; D326-Y328 HydrophobicContact CB-CD2 4.09Å; D326-Y328 HydrophobicContact CB-CE2 3.37Å; D326-W361 PolarHBondContact OD1-NE1 3.44Å
327	V	95.8	Very high	91.1	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.4	177.2	-176.3	0	0	0	0	109.1	I271 L320 V321 F362 W369	I271-V327 HydrophobicContact CD1-CG1 4.46Å; I271-V327 HydrophobicContact CD1-CG2 3.99Å; L320-V327 CarbonylContact O-C 3.52Å; L320-V327 WeakPolarHBondContact O-CA 3.39Å; V321-V327 HydrophobicContact CG1-CG2 4.5Å; V321-V327 HydrophobicContact CG2-CG1 4.44Å; V321-V327 HydrophobicContact CG2-CG2 4.02Å; V327-F362 HydrophobicContact CB-CB 3.94Å; V327-F362 HydrophobicContact CG1-CB 4.37Å; V327-F362 PolarHBondContact O-N 3.18Å; V327-W369 HydrophobicContact CG1-CH2 4.21Å
328	Y	97.1	Very high	89.4	Confident	12 Å²	12	39.1 Å²	39.1	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.9	178.4	-68	-90.9	0	0	0	111.7	T319 L320 T322 D326 F359 F360 W361 I391	T319-Y328 WeakPolarHBondContact CA-O 3.43Å; L320-Y328 PolarHBondContact N-O 2.8Å; L320-Y328 PolarHBondContact O-N 3.09Å; T322-Y328 HydrophobicContact CG2-CD2 3.92Å; T322-Y328 HydrophobicContact CG2-CE2 3.78Å; D326-Y328 HydrophobicContact CB-CD2 4.09Å; D326-Y328 HydrophobicContact CB-CE2 3.37Å; Y328-F359 AromaticContact CD1-CE1 3.96Å; Y328-F359 HydrophobicContact CD1-CE1 3.96Å; Y328-F359 AromaticContact CD1-CE2 3.88Å; Y328-F359 HydrophobicContact CD1-CE2 3.88Å; Y328-F359 AromaticContact CD1-CZ 3.33Å; Y328-F359 HydrophobicContact CD1-CZ 3.33Å; Y328-F359 HydrophobicContact CE1-CE1 4.24Å; Y328-F359 AromaticContact CE1-CZ 3.95Å; Y328-F359 HydrophobicContact CE1-CZ 3.95Å; Y328-F359 HydrophobicContact CG-CE2 4.27Å; Y328-F359 AromaticContact CG-CZ 3.98Å; Y328-F359 HydrophobicContact CG-CZ 3.98Å; Y328-F360 VanDerWaalsContact CA-O 3.29Å; Y328-F360 WeakPolarHBondContact CA-O 3.3Å; Y328-W361 HydrophobicContact CD1-CB 3.88Å; Y328-W361 HydrophobicContact CE1-CB 3.58Å; Y328-W361 AromaticContact CE1-CD1 3.87Å; Y328-W361 HydrophobicContact CE1-CG 4.02Å; Y328-W361 AromaticContact CZ-CD1 3.71Å; Y328-I391 HydrophobicContact CD1-CD1 4.1Å; Y328-I391 HydrophobicContact CD2-CD1 3.59Å; Y328-I391 HydrophobicContact CE1-CD1 4.11Å; Y328-I391 HydrophobicContact CE2-CD1 3.6Å; Y328-I391 HydrophobicContact CG-CD1 3.84Å
329	I	96.4	Very high	87.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.3	169.4	61.4	171.7	0	0	0	110.7	M273 P310 L314 V317 G318 T319 F359 F360 W369	M273-I329 HydrophobicContact CE-CG2 3.36Å; P310-I329 HydrophobicContact CB-CD1 3.78Å; L314-I329 HydrophobicContact CD2-CD1 4.29Å; V317-I329 HydrophobicContact CB-CB 4.28Å; V317-I329 HydrophobicContact CG2-CB 4.18Å; V317-I329 HydrophobicContact CG2-CG2 4.12Å; G318-I329 WeakPolarHBondContact O-CA 3.4Å; T319-I329 HydrophobicContact CG2-CG2 4.35Å; I329-F359 WeakPolarHBondContact O-CA 3.4Å; I329-F359 WeakPolarHBondContact O-CD2 3.28Å; I329-F360 HydrophobicContact CD1-CB 4.18Å; I329-F360 HydrophobicContact CD1-CD2 4.04Å; I329-F360 HydrophobicContact CD1-CG 4.42Å; I329-F360 HydrophobicContact CG1-CB 3.73Å; I329-F360 HydrophobicContact CG1-CD2 4.05Å; I329-F360 HydrophobicContact CG1-CG 4.34Å; I329-F360 PolarHBondContact N-O 3.1Å; I329-F360 PolarHBondContact O-N 2.82Å; I329-W369 HydrophobicContact CB-CH2 4.4Å; I329-W369 HydrophobicContact CB-CZ3 4.17Å; I329-W369 HydrophobicContact CD1-CD2 3.94Å; I329-W369 HydrophobicContact CD1-CE3 3.75Å; I329-W369 HydrophobicContact CD1-CH2 4.03Å; I329-W369 HydrophobicContact CD1-CZ2 4.21Å; I329-W369 HydrophobicContact CD1-CZ3 3.79Å; I329-W369 HydrophobicContact CG1-CD2 4.49Å; I329-W369 HydrophobicContact CG1-CE3 3.8Å; I329-W369 HydrophobicContact CG1-CH2 4.1Å; I329-W369 HydrophobicContact CG1-CZ3 3.56Å; I329-W369 HydrophobicContact CG2-CH2 3.47Å; I329-W369 VanDerWaalsContact CG2-CH2 3.47Å; I329-W369 HydrophobicContact CG2-CZ2 4.32Å; I329-W369 HydrophobicContact CG2-CZ3 3.67Å
330	A	95.4	Very high	85.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.2	-178.6	0	0	0	0	0	113.1	G318 S358 F359 M375 P382 L384	G318-A330 PolarHBondContact N-O 2.86Å; G318-A330 PolarHBondContact O-N 2.77Å; G318-A330 VanDerWaalsContact O-N 3.1Å; A330-S358 CarbonylContact C-O 3.59Å; A330-S358 WeakPolarHBondContact CA-O 3.01Å; A330-F359 HydrophobicContact CB-CD2 3.6Å; A330-F359 HydrophobicContact CB-CE2 4.13Å; A330-M375 HydrophobicContact CB-CE 4.05Å; A330-M375 HydrophobicContact CB-SD 3.79Å; A330-P382 HydrophobicContact CB-CG 4.49Å; A330-P382 WeakPolarHBondContact O-CG 3.15Å; A330-L384 HydrophobicContact CB-CD1 3.62Å; A330-L384 HydrophobicContact CB-CD2 3.81Å; A330-L384 HydrophobicContact CB-CG 4.19Å
331	G	92.9	Very high	83.1	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.			trans	66.1	-144.4	176.4	0	0	0	0	0	111.8	L314 V356 S358 M375 R379	L314-G331 WeakPolarHBondContact CD1-O 3.36Å; G331-V356 WeakPolarHBondContact CA-O 3Å; G331-S358 PolarHBondContact N-O 2.7Å; G331-M375 VanDerWaalsContact CA-CE 3.42Å; G331-M375 VanDerWaalsContact N-CE 3.27Å; G331-R379 CarbonylContact C-O 3.42Å; G331-R379 VanDerWaalsContact CA-O 3.3Å; G331-R379 WeakPolarHBondContact CA-O 3.43Å
332	G	91.1	Very high	80.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.297	C	S	.	.			trans	99.5	-161.9	-177.2	0	0	0	0	0	113	Q315 K316 S355 V356 R379	Q315-G332 CarbonylContact O-C 3.45Å; Q315-G332 WeakPolarHBondContact O-CA 3.38Å; K316-G332 WeakPolarHBondContact O-CA 3.36Å; G332-S355 WeakPolarHBondContact O-CA 3.4Å; G332-V356 PolarHBondContact O-N 3.09Å; G332-R379 PolarHBondContact N-O 3.34Å
333	Q	89.6	Confident	78.6	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.065	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147	-177.8	63.7	173.8	22.6	0	0	110.5	Q315 K316 F353 R354 I380	Q315-Q333 HydrophobicContact CB-CG 4.44Å; Q315-Q333 PolarHBondContact N-O 3.44Å; Q315-Q333 PolarHBondContact O-N 3.27Å; K316-Q333 HydrophobicContact CB-CG 4.24Å; K316-Q333 HydrophobicContact CD-CG 4.22Å; K316-Q333 HydrophobicContact CG-CG 4.31Å; Q333-F353 HydrophobicContact CB-CB 4.15Å; Q333-F353 HydrophobicContact CB-CD1 4.46Å; Q333-F353 HydrophobicContact CG-CB 4.36Å; Q333-F353 HydrophobicContact CG-CD1 3.98Å; Q333-F353 HydrophobicContact CG-CG 4.4Å; Q333-R354 CarbonylContact C-O 3.51Å; Q333-R354 VanDerWaalsContact CA-O 3.28Å; Q333-R354 WeakPolarHBondContact CA-O 3.42Å; Q333-I380 HydrophobicContact CB-CD1 4.41Å
334	I	89	Confident	76.3	Confident	33 Å²	33	60 Å²	60	17%	0.169	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.3	179.6	-69.5	178.7	0	0	0	109	G312 L314 F353 R354 V356	G312-I334 VanDerWaalsContact O-CG2 3.31Å; G312-I334 WeakPolarHBondContact O-CG2 3.41Å; L314-I334 HydrophobicContact CB-CG1 4.48Å; L314-I334 HydrophobicContact CD1-CD1 4.21Å; L314-I334 HydrophobicContact CD1-CG1 3.7Å; I334-F353 WeakPolarHBondContact O-CA 3.38Å; I334-R354 PolarHBondContact N-O 3.29Å; I334-R354 PolarHBondContact O-N 3.29Å; I334-V356 HydrophobicContact CD1-CG1 3.93Å; I334-V356 HydrophobicContact CD1-CG2 4.42Å; I334-V356 HydrophobicContact CG1-CG1 4.21Å; I334-V356 HydrophobicContact CG1-CG2 4.45Å
335	P	85.5	Confident	74.5	Confident	42 Å²	42	69.1 Å²	69.1	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.1	174.9	26.4	-33.8	0	0	0	112	D313 F353	D313-P335 HydrophobicContact CB-CG 4.07Å; P335-F353 HydrophobicContact CB-CD1 4.25Å; P335-F353 HydrophobicContact CB-CE1 4.02Å
336	L	81.9	Confident	72.7	Confident	74 Å²	74	72.9 Å²	72.9	39%	0.387	39%	0.386	S	S	.	.			trans	-83.4	132	173.2	-68.5	171.6	0	0	0	110.3	N338 V352 R354	L336-N338 PolarHBondContact O-N 3.49Å; L336-V352 HydrophobicContact CB-CB 4.44Å; L336-V352 WeakPolarHBondContact CB-O 3.48Å; L336-V352 HydrophobicContact CD1-CB 4.08Å; L336-V352 HydrophobicContact CD1-CG1 3.71Å; L336-V352 PolarHBondContact N-O 2.81Å; L336-R354 HydrophobicContact CD2-CB 4.09Å; L336-R354 HydrophobicContact CG-CB 4.25Å
337	K	68.1	Low	70.5	Confident	206 Å²	206	75.4 Å²	75.4	90%	0.896	42%	0.415	S	S	*	.	S	Bend	trans	-66.3	-16.8	-177.6	-68.1	-177.2	178.3	-178.1	0	114.4
338	N	56.5	Low	68.3	Low	138 Å²	138	83.6 Å²	83.6	74%	0.738	45%	0.451	S	S	*	.			trans	-99.1	95.4	-179.9	-70.4	-4.9	0	0	0	110.6	L336	L336-N338 PolarHBondContact O-N 3.49Å
339	S	52	Low	66.2	Low	61 Å²	61	87.3 Å²	87.3	43%	0.427	47%	0.471	S	S	.	.			trans	-75.1	122.8	169.8	-66.7	0	0	0	0	110.1	A341	S339-A341 PolarHBondContact O-N 3.22Å
340	I	51.6	Low	64.2	Low	125 Å²	125	94.7 Å²	94.7	64%	0.641	51%	0.505	S	S	*	.			trans	-78.1	113.4	172.1	-58.5	172.3	0	0	0	107.5	N342	I340-N342 PolarHBondContact O-N 2.86Å; I340-N342 VanDerWaalsContact O-N 3.15Å
341	A	47.3	Very low	62.7	Low	65 Å²	65	96.1 Å²	96.1	54%	0.537	52%	0.517	S	S	.	.			trans	-71.5	103.1	170.8	0	0	0	0	0	109.3	S339 H343	S339-A341 PolarHBondContact O-N 3.22Å; A341-H343 PolarHBondContact O-N 2.92Å
342	N	46.1	Very low	62.1	Low	133 Å²	133	99 Å²	99	71%	0.711	53%	0.534	S	S	*	.			trans	-73.6	107.8	166.2	-85.6	-16.3	0	0	0	108.8	I340 G344	I340-N342 PolarHBondContact O-N 2.86Å; I340-N342 VanDerWaalsContact O-N 3.15Å; N342-G344 PolarHBondContact O-N 2.64Å
343	H	49.3	Very low	61.8	Low	197 Å²	197	102 Å²	102	91%	0.912	55%	0.547	S	S	*	.			trans	-72.9	74.2	168.2	-71.4	-61.9	0	0	0	110.3	A341	A341-H343 PolarHBondContact O-N 2.92Å
344	G	43.5	Very low	61.7	Low	47 Å²	47	107.8 Å²	107.8	49%	0.485	57%	0.569	S	S	.	*	S	Bend	trans	-141.8	136.7	170.8	0	0	0	0	0	109.3	N342 S346	N342-G344 PolarHBondContact O-N 2.64Å; G344-S346 PolarHBondContact O-N 3.3Å
345	R	51.4	Low	61.7	Low	259 Å²	259	108 Å²	108	98%	0.977	57%	0.573	S	S	*	*	S	Bend	trans	-51.8	123.4	-169.3	-70.8	176.8	175.2	172.9	-2.1	111.6
346	S	53.4	Low	62	Low	109 Å²	109	106.2 Å²	106.2	76%	0.762	56%	0.561	S	S	*	*	S	Bend	trans	86.3	63.2	-166	-164.6	0	0	0	0	114.2	G344 K348	G344-S346 PolarHBondContact O-N 3.3Å; S346-K348 PolarHBondContact O-N 3.07Å
347	G	46.7	Very low	62.6	Low	65 Å²	65	105.7 Å²	105.7	67%	0.67	56%	0.559	S	S	*	*			trans	-72	82.5	-179.8	0	0	0	0	0	113.2
348	K	50.6	Low	63.9	Low	176 Å²	176	97.1 Å²	97.1	77%	0.765	53%	0.525	S	S	*	.			trans	-77.8	117.4	157.4	-72.7	-176.9	178.1	-179.2	0	107.8	S346 Q350	S346-K348 PolarHBondContact O-N 3.07Å; K348-Q350 PolarHBondContact O-N 3.35Å; K348-Q350 VanDerWaalsContact O-N 3.16Å
349	L	52.3	Low	65.8	Low	89 Å²	89	90.7 Å²	90.7	47%	0.466	49%	0.49	S	S	.	.			trans	-62.5	113.5	167.5	-90.3	88.3	0	0	0	108	T288	T288-L349 WeakPolarHBondContact CG2-O 3.39Å
350	Q	54.5	Low	67.9	Low	156 Å²	156	88.7 Å²	88.7	73%	0.729	47%	0.474	S	S	*	.			trans	-87.7	113.7	172	-169.2	168.1	11.1	0	0	108.5	K348 V352	K348-Q350 PolarHBondContact O-N 3.35Å; K348-Q350 VanDerWaalsContact O-N 3.16Å; Q350-V352 PolarHBondContact O-N 3.2Å
351	A	64.3	Low	70	Confident	29 Å²	29	83.7 Å²	83.7	24%	0.24	45%	0.447	C	S	.	.			trans	-59.9	124.7	172.3	0	0	0	0	0	109.5	T288 F353	T288-A351 PolarHBondContact OG1-N 3.33Å; A351-F353 HydrophobicContact CB-CD2 4.5Å; A351-F353 HydrophobicContact CB-CE2 3.74Å; A351-F353 HydrophobicContact CB-CZ 4.04Å; A351-F353 WeakPolarHBondContact O-CD2 3.37Å; A351-F353 WeakPolarHBondContact O-CE2 3.22Å
352	V	79.6	Confident	72.3	Confident	61 Å²	61	80.8 Å²	80.8	37%	0.37	42%	0.422	S	S	.	.			trans	-89.2	130.7	175.1	-170	0	0	0	0	107.7	L336 Q350	L336-V352 HydrophobicContact CB-CB 4.44Å; L336-V352 WeakPolarHBondContact CB-O 3.48Å; L336-V352 HydrophobicContact CD1-CB 4.08Å; L336-V352 HydrophobicContact CD1-CG1 3.71Å; L336-V352 PolarHBondContact N-O 2.81Å; Q350-V352 PolarHBondContact O-N 3.2Å
353	F	84.6	Confident	74.4	Confident	62 Å²	62	75 Å²	75	27%	0.272	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.5	-179.5	-67.4	-92.7	0	0	0	110.7	Q333 I334 P335 A351	Q333-F353 HydrophobicContact CB-CB 4.15Å; Q333-F353 HydrophobicContact CB-CD1 4.46Å; Q333-F353 HydrophobicContact CG-CB 4.36Å; Q333-F353 HydrophobicContact CG-CD1 3.98Å; Q333-F353 HydrophobicContact CG-CG 4.4Å; I334-F353 WeakPolarHBondContact O-CA 3.38Å; P335-F353 HydrophobicContact CB-CD1 4.25Å; P335-F353 HydrophobicContact CB-CE1 4.02Å; A351-F353 HydrophobicContact CB-CD2 4.5Å; A351-F353 HydrophobicContact CB-CE2 3.74Å; A351-F353 HydrophobicContact CB-CZ 4.04Å; A351-F353 WeakPolarHBondContact O-CD2 3.37Å; A351-F353 WeakPolarHBondContact O-CE2 3.22Å
354	R	87.6	Confident	76.4	Confident	136 Å²	136	66.1 Å²	66.1	51%	0.513	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.4	171.2	-172.3	-169.4	74.1	-157.5	2.7	109.2	Q333 I334 L336	Q333-R354 CarbonylContact C-O 3.51Å; Q333-R354 VanDerWaalsContact CA-O 3.28Å; Q333-R354 WeakPolarHBondContact CA-O 3.42Å; I334-R354 PolarHBondContact N-O 3.29Å; I334-R354 PolarHBondContact O-N 3.29Å; L336-R354 HydrophobicContact CD2-CB 4.09Å; L336-R354 HydrophobicContact CG-CB 4.25Å
355	S	89.8	Confident	78.5	Confident	37 Å²	37	65.9 Å²	65.9	26%	0.259	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.4	170.6	-44.3	0	0	0	0	110.6	G332 I380	G332-S355 WeakPolarHBondContact O-CA 3.4Å; S355-I380 WeakPolarHBondContact OG-CD1 3.39Å
356	V	91.9	Very high	80.4	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	31%	0.314	C	S	.	.			trans	-130.1	162.1	-178.3	-63.6	0	0	0	0	111.8	L314 G331 G332 I334 A378 R379	L314-V356 HydrophobicContact CD1-CG2 3.46Å; L314-V356 VanDerWaalsContact CD1-CG2 3.46Å; G331-V356 WeakPolarHBondContact CA-O 3Å; G332-V356 PolarHBondContact O-N 3.09Å; I334-V356 HydrophobicContact CD1-CG1 3.93Å; I334-V356 HydrophobicContact CD1-CG2 4.42Å; I334-V356 HydrophobicContact CG1-CG1 4.21Å; I334-V356 HydrophobicContact CG1-CG2 4.45Å; V356-A378 VanDerWaalsContact C-CB 3.41Å; V356-A378 WeakPolarHBondContact O-CA 3.47Å; V356-A378 WeakPolarHBondContact O-CB 3.41Å; V356-R379 PolarHBondContact O-N 3.37Å
357	D	93.4	Very high	82.3	Confident	63 Å²	63	54.6 Å²	54.6	34%	0.337	29%	0.286	S	S	.	.			trans	-103	7.9	175.5	53.1	5.3	0	0	0	112.2	P374 M375 A378	D357-P374 HydrophobicContact CB-CB 4.36Å; D357-P374 CarbonylContact O-C 3.47Å; D357-P374 WeakPolarHBondContact O-CA 3.37Å; D357-M375 HydrophobicContact CB-CB 4.25Å; D357-M375 WeakPolarHBondContact CB-O 3.39Å; D357-M375 PolarHBondContact O-N 3.47Å; D357-A378 HydrophobicContact CB-CB 4.16Å
358	S	94.9	Very high	84.5	Confident	27 Å²	27	53 Å²	53	19%	0.189	27%	0.266	C	S	.	.			trans	-60	141.9	-173.4	-51.6	0	0	0	0	112.1	A330 G331 F360	A330-S358 CarbonylContact C-O 3.59Å; A330-S358 WeakPolarHBondContact CA-O 3.01Å; G331-S358 PolarHBondContact N-O 2.7Å; S358-F360 VanDerWaalsContact CB-CE2 3.48Å
359	F	97.1	Very high	86.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131	-179.5	-175.4	-127.9	0	0	0	109.3	Y328 I329 A330 K372 I391 Y411 W418	Y328-F359 AromaticContact CD1-CE1 3.96Å; Y328-F359 HydrophobicContact CD1-CE1 3.96Å; Y328-F359 AromaticContact CD1-CE2 3.88Å; Y328-F359 HydrophobicContact CD1-CE2 3.88Å; Y328-F359 AromaticContact CD1-CZ 3.33Å; Y328-F359 HydrophobicContact CD1-CZ 3.33Å; Y328-F359 HydrophobicContact CE1-CE1 4.24Å; Y328-F359 AromaticContact CE1-CZ 3.95Å; Y328-F359 HydrophobicContact CE1-CZ 3.95Å; Y328-F359 HydrophobicContact CG-CE2 4.27Å; Y328-F359 AromaticContact CG-CZ 3.98Å; Y328-F359 HydrophobicContact CG-CZ 3.98Å; I329-F359 WeakPolarHBondContact O-CA 3.4Å; I329-F359 WeakPolarHBondContact O-CD2 3.28Å; A330-F359 HydrophobicContact CB-CD2 3.6Å; A330-F359 HydrophobicContact CB-CE2 4.13Å; F359-K372 HydrophobicContact CD1-CB 3.45Å; F359-K372 VanDerWaalsContact CD1-CB 3.45Å; F359-K372 HydrophobicContact CD1-CG 4.28Å; F359-K372 HydrophobicContact CE1-CB 3.99Å; F359-K372 HydrophobicContact CE1-CG 4.38Å; F359-K372 HydrophobicContact CG-CB 4.3Å; F359-K372 PolarHBondContact O-N 3.48Å; F359-I391 HydrophobicContact CZ-CD1 4.07Å; F359-Y411 HydrophobicContact CD1-CD2 4.33Å; F359-Y411 HydrophobicContact CD1-CE2 4.15Å; F359-Y411 AromaticContact CE1-CD1 3.7Å; F359-Y411 HydrophobicContact CE1-CD1 3.7Å; F359-Y411 AromaticContact CE1-CD2 3.97Å; F359-Y411 HydrophobicContact CE1-CD2 3.97Å; F359-Y411 AromaticContact CE1-CE1 3.58Å; F359-Y411 HydrophobicContact CE1-CE1 3.58Å; F359-Y411 AromaticContact CE1-CE2 3.86Å; F359-Y411 HydrophobicContact CE1-CE2 3.86Å; F359-Y411 AromaticContact CE1-CG 3.88Å; F359-Y411 HydrophobicContact CE1-CG 3.88Å; F359-Y411 AromaticContact CE1-CZ 3.68Å; F359-Y411 HydrophobicContact CZ-CD1 4.08Å; F359-Y411 HydrophobicContact CZ-CE1 4.24Å; F359-Y411 HydrophobicContact CZ-CG 4.41Å; F359-W418 HydrophobicContact CB-CZ2 4.37Å; F359-W418 AromaticContact CD1-CZ2 3.68Å; F359-W418 HydrophobicContact CD1-CZ2 3.68Å; F359-W418 AromaticContact CD1-NE1 3.9Å; F359-W418 AromaticContact CD2-CZ2 3.82Å; F359-W418 HydrophobicContact CD2-CZ2 3.82Å; F359-W418 AromaticContact CE1-CZ2 3.83Å; F359-W418 HydrophobicContact CE1-CZ2 3.83Å; F359-W418 HydrophobicContact CE2-CH2 4.38Å; F359-W418 AromaticContact CE2-CZ2 3.94Å; F359-W418 HydrophobicContact CE2-CZ2 3.94Å; F359-W418 AromaticContact CG-CZ2 3.7Å; F359-W418 HydrophobicContact CG-CZ2 3.7Å; F359-W418 HydrophobicContact CZ-CH2 4.49Å; F359-W418 AromaticContact CZ-CZ2 3.95Å; F359-W418 HydrophobicContact CZ-CZ2 3.95Å
360	F	96.4	Very high	88.5	Confident	19 Å²	19	43.7 Å²	43.7	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.3	-176.8	-57.6	-93.6	0	0	0	111.3	P311 L314 Y328 I329 S358 W369 V370 P371	P311-F360 HydrophobicContact CB-CZ 4.44Å; P311-F360 HydrophobicContact CG-CE1 3.8Å; P311-F360 HydrophobicContact CG-CZ 4.04Å; L314-F360 HydrophobicContact CD2-CD2 4.31Å; L314-F360 HydrophobicContact CD2-CE2 3.95Å; Y328-F360 VanDerWaalsContact CA-O 3.29Å; Y328-F360 WeakPolarHBondContact CA-O 3.3Å; I329-F360 HydrophobicContact CD1-CB 4.18Å; I329-F360 HydrophobicContact CD1-CD2 4.04Å; I329-F360 HydrophobicContact CD1-CG 4.42Å; I329-F360 HydrophobicContact CG1-CB 3.73Å; I329-F360 HydrophobicContact CG1-CD2 4.05Å; I329-F360 HydrophobicContact CG1-CG 4.34Å; I329-F360 PolarHBondContact N-O 3.1Å; I329-F360 PolarHBondContact O-N 2.82Å; S358-F360 VanDerWaalsContact CB-CE2 3.48Å; F360-W369 HydrophobicContact CB-CB 4.35Å; F360-W369 HydrophobicContact CB-CE3 3.85Å; F360-W369 HydrophobicContact CD1-CB 4.21Å; F360-W369 HydrophobicContact CG-CB 4.48Å; F360-V370 WeakPolarHBondContact CA-O 3.46Å; F360-P371 HydrophobicContact CD1-CB 4.05Å; F360-P371 HydrophobicContact CE1-CB 3.87Å
361	W	95.8	Very high	90.4	Very high	21 Å²	21	40.6 Å²	40.6	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.6	165.1	168.3	63.7	0	0	0	109	H159 D326 Y328 D363 V370 K372	H159-W361 AromaticContact CD2-CZ2 3.73Å; H159-W361 AromaticContact NE2-CZ2 3.59Å; D326-W361 PolarHBondContact OD1-NE1 3.44Å; Y328-W361 HydrophobicContact CD1-CB 3.88Å; Y328-W361 HydrophobicContact CE1-CB 3.58Å; Y328-W361 AromaticContact CE1-CD1 3.87Å; Y328-W361 HydrophobicContact CE1-CG 4.02Å; Y328-W361 AromaticContact CZ-CD1 3.71Å; W361-D363 HydrophobicContact CH2-CB 3.91Å; W361-D363 HydrophobicContact CZ3-CB 4.01Å; W361-V370 HydrophobicContact CE3-CB 3.83Å; W361-V370 HydrophobicContact CE3-CG1 4.3Å; W361-V370 HydrophobicContact CE3-CG2 3.93Å; W361-V370 HydrophobicContact CZ3-CB 4.33Å; W361-V370 HydrophobicContact CZ3-CG2 3.97Å; W361-V370 PolarHBondContact N-O 3.33Å; W361-V370 PolarHBondContact O-N 2.64Å; W361-K372 HydrophobicContact CB-CG 4.16Å
362	F	94.4	Very high	91.9	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.6	176.6	-172.2	-119.3	0	0	0	111.2	L307 V327 A364 N367 W369 L595	L307-F362 HydrophobicContact CB-CZ 4.4Å; L307-F362 HydrophobicContact CD2-CE1 3.93Å; L307-F362 HydrophobicContact CD2-CE2 4.39Å; L307-F362 HydrophobicContact CD2-CZ 3.85Å; L307-F362 HydrophobicContact CG-CE1 4.3Å; L307-F362 HydrophobicContact CG-CZ 3.88Å; V327-F362 HydrophobicContact CB-CB 3.94Å; V327-F362 HydrophobicContact CG1-CB 4.37Å; V327-F362 PolarHBondContact O-N 3.18Å; F362-A364 HydrophobicContact CD1-CB 4.03Å; F362-A364 HydrophobicContact CE1-CB 3.96Å; F362-A364 PolarHBondContact O-N 3.08Å; F362-N367 HydrophobicContact CZ-CB 4.48Å; F362-N367 VanDerWaalsContact CZ-OD1 3.28Å; F362-N367 WeakPolarHBondContact CZ-OD1 3.3Å; F362-W369 HydrophobicContact CB-CD2 4.46Å; F362-W369 HydrophobicContact CB-CE3 3.82Å; F362-W369 HydrophobicContact CB-CH2 3.96Å; F362-W369 HydrophobicContact CB-CZ3 3.56Å; F362-W369 AromaticContact CD2-CD2 3.85Å; F362-W369 HydrophobicContact CD2-CD2 3.85Å; F362-W369 AromaticContact CD2-CE2 3.8Å; F362-W369 HydrophobicContact CD2-CE3 4.09Å; F362-W369 HydrophobicContact CD2-CG 4.35Å; F362-W369 HydrophobicContact CD2-CH2 4.25Å; F362-W369 HydrophobicContact CD2-CZ2 4.01Å; F362-W369 HydrophobicContact CD2-CZ3 4.29Å; F362-W369 HydrophobicContact CG-CE3 4.41Å; F362-W369 HydrophobicContact CG-CH2 4.28Å; F362-W369 HydrophobicContact CG-CZ2 4.46Å; F362-W369 HydrophobicContact CG-CZ3 4.27Å; F362-L595 HydrophobicContact CD1-CD2 4.37Å; F362-L595 HydrophobicContact CE1-CD2 4.09Å
363	D	91.9	Very high	92.6	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	97.8	165.7	-175	-23.7	0	0	0	108.6	W361 Q365 Q366 N367 A368 V370	W361-D363 HydrophobicContact CH2-CB 3.91Å; W361-D363 HydrophobicContact CZ3-CB 4.01Å; D363-Q365 PolarHBondContact O-N 3.18Å; D363-Q365 WeakPolarHBondContact OD1-CB 3Å; D363-Q365 PolarHBondContact OD1-N 3.06Å; D363-Q366 HydrophobicContact CB-CB 4.32Å; D363-Q366 PolarHBondContact O-N 2.81Å; D363-Q366 PolarHBondContact OD1-N 3.18Å; D363-Q366 VanDerWaalsContact OD1-N 3.07Å; D363-Q366 WeakPolarHBondContact OD2-CG 3.49Å; D363-N367 WeakPolarHBondContact O-CA 3.49Å; D363-N367 PolarHBondContact O-N 2.91Å; D363-A368 PolarHBondContact N-O 3.17Å; D363-A368 PolarHBondContact O-N 3.49Å; D363-A368 VanDerWaalsContact O-N 3.15Å; D363-V370 HydrophobicContact CB-CG2 4.09Å
364	A	89.9	Confident	93.1	Very high	12 Å²	12	40.5 Å²	40.5	10%	0.099	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.9	-179.2	0	0	0	0	0	113.6	F362 L595 Y596 C599	F362-A364 HydrophobicContact CD1-CB 4.03Å; F362-A364 HydrophobicContact CE1-CB 3.96Å; F362-A364 PolarHBondContact O-N 3.08Å; A364-L595 HydrophobicContact CB-CD2 3.92Å; A364-Y596 HydrophobicContact CB-CD2 3.92Å; A364-Y596 HydrophobicContact CB-CE2 3.76Å; A364-C599 WeakPolarHBondContact O-CB 3.46Å
365	Q	88.3	Confident	93.5	Very high	41 Å²	41	34.2 Å²	34.2	19%	0.192	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-36.7	176.8	-177.5	-177.2	-0.7	0	0	110.8	N186 L262 D363 C599	N186-Q365 VanDerWaalsContact CB-NE2 3.25Å; N186-Q365 PolarHBondContact ND2-NE2 3.23Å; N186-Q365 VanDerWaalsContact ND2-NE2 3.18Å; L262-Q365 HydrophobicContact CD2-CB 4.31Å; L262-Q365 HydrophobicContact CD2-CG 3.81Å; D363-Q365 PolarHBondContact O-N 3.18Å; D363-Q365 WeakPolarHBondContact OD1-CB 3Å; D363-Q365 PolarHBondContact OD1-N 3.06Å; Q365-C599 PolarHBondContact O-SG 3.26Å
366	Q	90.3	Very high	93.6	Very high	97 Å²	97	37 Å²	37	45%	0.453	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.5	179.3	-61.6	-160.9	-34.9	0	0	114.1	D363 A368	D363-Q366 HydrophobicContact CB-CB 4.32Å; D363-Q366 PolarHBondContact O-N 2.81Å; D363-Q366 PolarHBondContact OD1-N 3.18Å; D363-Q366 VanDerWaalsContact OD1-N 3.07Å; D363-Q366 WeakPolarHBondContact OD2-CG 3.49Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 HydrophobicContact CB-CB 3.98Å; Q366-A368 PolarHBondContact O-N 3.44Å
367	N	93.3	Very high	93.5	Very high	35 Å²	35	37.8 Å²	37.8	19%	0.187	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	54.8	-168.8	-172	18	0	0	0	110.2	L307 C308 F362 D363 L600	L307-N367 WeakPolarHBondContact CA-OD1 2.95Å; C308-N367 WeakPolarHBondContact CB-O 3.32Å; C308-N367 PolarHBondContact N-OD1 2.69Å; C308-N367 VanDerWaalsContact SG-C 3.57Å; C308-N367 PolarHBondContact SG-O 3.17Å; F362-N367 HydrophobicContact CZ-CB 4.48Å; F362-N367 VanDerWaalsContact CZ-OD1 3.28Å; F362-N367 WeakPolarHBondContact CZ-OD1 3.3Å; D363-N367 WeakPolarHBondContact O-CA 3.49Å; D363-N367 PolarHBondContact O-N 2.91Å; N367-L600 HydrophobicContact CB-CD2 4.27Å
368	A	93.6	Very high	93.4	Very high	30 Å²	30	35.9 Å²	35.9	25%	0.248	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.9	-172.5	0	0	0	0	0	112.2	C308 D363 Q366	C308-A368 VanDerWaalsContact SG-CA 3.54Å; D363-A368 PolarHBondContact N-O 3.17Å; D363-A368 PolarHBondContact O-N 3.49Å; D363-A368 VanDerWaalsContact O-N 3.15Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 HydrophobicContact CB-CB 3.98Å; Q366-A368 PolarHBondContact O-N 3.44Å
369	W	94.9	Very high	93.1	Very high	23 Å²	23	35 Å²	35	9%	0.087	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.7	171.1	-66.1	102.3	0	0	0	110.8	M273 I294 C308 P310 V327 I329 F360 F362	M273-W369 HydrophobicContact CE-CH2 4.32Å; M273-W369 HydrophobicContact CE-CZ2 4.29Å; I294-W369 HydrophobicContact CD1-CZ2 3.91Å; C308-W369 PolarHBondContact O-NE1 3.28Å; P310-W369 HydrophobicContact CB-CG 4.46Å; V327-W369 HydrophobicContact CG1-CH2 4.21Å; I329-W369 HydrophobicContact CB-CH2 4.4Å; I329-W369 HydrophobicContact CB-CZ3 4.17Å; I329-W369 HydrophobicContact CD1-CD2 3.94Å; I329-W369 HydrophobicContact CD1-CE3 3.75Å; I329-W369 HydrophobicContact CD1-CH2 4.03Å; I329-W369 HydrophobicContact CD1-CZ2 4.21Å; I329-W369 HydrophobicContact CD1-CZ3 3.79Å; I329-W369 HydrophobicContact CG1-CD2 4.49Å; I329-W369 HydrophobicContact CG1-CE3 3.8Å; I329-W369 HydrophobicContact CG1-CH2 4.1Å; I329-W369 HydrophobicContact CG1-CZ3 3.56Å; I329-W369 HydrophobicContact CG2-CH2 3.47Å; I329-W369 VanDerWaalsContact CG2-CH2 3.47Å; I329-W369 HydrophobicContact CG2-CZ2 4.32Å; I329-W369 HydrophobicContact CG2-CZ3 3.67Å; F360-W369 HydrophobicContact CB-CB 4.35Å; F360-W369 HydrophobicContact CB-CE3 3.85Å; F360-W369 HydrophobicContact CD1-CB 4.21Å; F360-W369 HydrophobicContact CG-CB 4.48Å; F362-W369 HydrophobicContact CB-CD2 4.46Å; F362-W369 HydrophobicContact CB-CE3 3.82Å; F362-W369 HydrophobicContact CB-CH2 3.96Å; F362-W369 HydrophobicContact CB-CZ3 3.56Å; F362-W369 AromaticContact CD2-CD2 3.85Å; F362-W369 HydrophobicContact CD2-CD2 3.85Å; F362-W369 AromaticContact CD2-CE2 3.8Å; F362-W369 HydrophobicContact CD2-CE3 4.09Å; F362-W369 HydrophobicContact CD2-CG 4.35Å; F362-W369 HydrophobicContact CD2-CH2 4.25Å; F362-W369 HydrophobicContact CD2-CZ2 4.01Å; F362-W369 HydrophobicContact CD2-CZ3 4.29Å; F362-W369 HydrophobicContact CG-CE3 4.41Å; F362-W369 HydrophobicContact CG-CH2 4.28Å; F362-W369 HydrophobicContact CG-CZ2 4.46Å; F362-W369 HydrophobicContact CG-CZ3 4.27Å
370	V	92.8	Very high	92.7	Very high	48 Å²	48	35.5 Å²	35.5	29%	0.291	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.6	178	-178.2	0	0	0	0	109.1	F360 W361 D363	F360-V370 WeakPolarHBondContact CA-O 3.46Å; W361-V370 HydrophobicContact CE3-CB 3.83Å; W361-V370 HydrophobicContact CE3-CG1 4.3Å; W361-V370 HydrophobicContact CE3-CG2 3.93Å; W361-V370 HydrophobicContact CZ3-CB 4.33Å; W361-V370 HydrophobicContact CZ3-CG2 3.97Å; W361-V370 PolarHBondContact N-O 3.33Å; W361-V370 PolarHBondContact O-N 2.64Å; D363-V370 HydrophobicContact CB-CG2 4.09Å
371	P	93.9	Very high	92.3	Very high	91 Å²	91	36.8 Å²	36.8	59%	0.591	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.6	178.3	27.6	-33.5	0	0	0	111.2	F360	F360-P371 HydrophobicContact CD1-CB 4.05Å; F360-P371 HydrophobicContact CE1-CB 3.87Å
372	K	94.9	Very high	92.1	Very high	34 Å²	34	35.8 Å²	35.8	15%	0.148	20%	0.202	C	C	.	.			trans	-114.1	175.9	170.6	-72.7	-58	-156.6	169.6	0	110.1	F359 W361 P374	F359-K372 HydrophobicContact CD1-CB 3.45Å; F359-K372 VanDerWaalsContact CD1-CB 3.45Å; F359-K372 HydrophobicContact CD1-CG 4.28Å; F359-K372 HydrophobicContact CE1-CB 3.99Å; F359-K372 HydrophobicContact CE1-CG 4.38Å; F359-K372 HydrophobicContact CG-CB 4.3Å; F359-K372 PolarHBondContact O-N 3.48Å; W361-K372 HydrophobicContact CB-CG 4.16Å; K372-P374 WeakPolarHBondContact O-CD 3.43Å
373	T	94.9	Very high	92	Very high	50 Å²	50	36.4 Å²	36.4	31%	0.307	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-54.6	124.5	175	-66.2	0	0	0	0	109.7	D416 W418	T373-D416 WeakPolarHBondContact CB-O 3.23Å; T373-D416 WeakPolarHBondContact CB-OD1 3.37Å; T373-D416 PolarHBondContact N-OD1 3.46Å; T373-D416 VanDerWaalsContact OG1-CG 3.23Å; T373-D416 PolarHBondContact OG1-O 3.41Å; T373-D416 PolarHBondContact OG1-OD1 2.9Å; T373-D416 VanDerWaalsContact OG1-OD1 3.11Å; T373-D416 PolarHBondContact OG1-OD2 2.62Å; T373-W418 PolarHBondContact O-NE1 3.24Å
374	P	95.8	Very high	92.2	Very high	65 Å²	65	36.6 Å²	36.6	42%	0.422	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-59.8	152.1	178	-22.7	33.1	0	0	0	111.8	D357 K372	D357-P374 HydrophobicContact CB-CB 4.36Å; D357-P374 CarbonylContact O-C 3.47Å; D357-P374 WeakPolarHBondContact O-CA 3.37Å; K372-P374 WeakPolarHBondContact O-CD 3.43Å
375	M	94.9	Very high	92.5	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.025	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-58.8	158.6	170.9	-65	-178.3	-61.2	0	0	110.6	A330 G331 D357 C377 R379 A393 W418	A330-M375 HydrophobicContact CB-CE 4.05Å; A330-M375 HydrophobicContact CB-SD 3.79Å; G331-M375 VanDerWaalsContact CA-CE 3.42Å; G331-M375 VanDerWaalsContact N-CE 3.27Å; D357-M375 HydrophobicContact CB-CB 4.25Å; D357-M375 WeakPolarHBondContact CB-O 3.39Å; D357-M375 PolarHBondContact O-N 3.47Å; M375-C377 VanDerWaalsContact C-N 3.31Å; M375-C377 WeakPolarHBondContact CB-O 3.49Å; M375-R379 HydrophobicContact CE-CB 4.28Å; M375-R379 HydrophobicContact CE-CG 4.4Å; M375-A393 HydrophobicContact SD-CB 3.71Å; M375-W418 HydrophobicContact CG-CD2 4.1Å; M375-W418 HydrophobicContact CG-CE3 4.37Å; M375-W418 HydrophobicContact CG-CH2 3.84Å; M375-W418 HydrophobicContact CG-CZ2 3.52Å; M375-W418 HydrophobicContact CG-CZ3 4.26Å; M375-W418 HydrophobicContact SD-CH2 4.28Å; M375-W418 HydrophobicContact SD-CZ2 4.44Å
376	L	93.1	Very high	92.9	Very high	96 Å²	96	37.3 Å²	37.3	50%	0.503	21%	0.208	S	C	.	.	S	Bend	trans	-72.5	-29.5	174.9	-49.2	171.4	0	0	0	111.2	E409 W418 M420	L376-E409 VanDerWaalsContact CA-OE2 3.32Å; L376-E409 WeakPolarHBondContact CA-OE2 3.1Å; L376-E409 WeakPolarHBondContact CB-OE2 3.45Å; L376-E409 VanDerWaalsContact CG-OE2 3.22Å; L376-E409 WeakPolarHBondContact CG-OE2 3.33Å; L376-E409 PolarHBondContact N-OE2 2.84Å; L376-W418 HydrophobicContact CD1-CB 4.26Å; L376-W418 HydrophobicContact CD2-CB 4.18Å; L376-W418 HydrophobicContact CG-CB 3.84Å; L376-M420 HydrophobicContact CB-SD 4.45Å; L376-M420 HydrophobicContact CD1-CG 3.6Å; L376-M420 HydrophobicContact CD1-SD 3.88Å
377	C	89.5	Confident	93.2	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.135	19%	0.187	C	C	.	.	S	Bend	trans	-119.1	134.7	175	-59.6	0	0	0	0	111.7	M375 E409	M375-C377 VanDerWaalsContact C-N 3.31Å; M375-C377 WeakPolarHBondContact CB-O 3.49Å; C377-E409 VanDerWaalsContact CB-OE1 3.29Å; C377-E409 WeakPolarHBondContact CB-OE1 3.44Å; C377-E409 PolarHBondContact N-OE1 3.22Å
378	A	90.8	Very high	93.3	Very high	24 Å²	24	33.6 Å²	33.6	20%	0.198	19%	0.191	C	C	.	.			trans	-67.3	139.2	165.8	0	0	0	0	0	110.5	V356 D357 V399	V356-A378 VanDerWaalsContact C-CB 3.41Å; V356-A378 WeakPolarHBondContact O-CA 3.47Å; V356-A378 WeakPolarHBondContact O-CB 3.41Å; D357-A378 HydrophobicContact CB-CB 4.16Å; A378-V399 VanDerWaalsContact C-CG2 3.49Å; A378-V399 HydrophobicContact CB-CB 4.43Å; A378-V399 HydrophobicContact CB-CG1 4.14Å; A378-V399 HydrophobicContact CB-CG2 3.99Å; A378-V399 VanDerWaalsContact O-CB 3.23Å; A378-V399 WeakPolarHBondContact O-CB 3.28Å; A378-V399 WeakPolarHBondContact O-CG2 3.3Å
379	R	88.8	Confident	93.2	Very high	7 Å²	7	34 Å²	34	3%	0.026	20%	0.198	C	C	.	.			trans	-145.2	143.6	-174.7	-62.2	169.2	-173.2	-87.4	0.7	109.8	G331 G332 V356 M375 P382 G395 T407 E409	G331-R379 CarbonylContact C-O 3.42Å; G331-R379 VanDerWaalsContact CA-O 3.3Å; G331-R379 WeakPolarHBondContact CA-O 3.43Å; G332-R379 PolarHBondContact N-O 3.34Å; V356-R379 PolarHBondContact O-N 3.37Å; M375-R379 HydrophobicContact CE-CB 4.28Å; M375-R379 HydrophobicContact CE-CG 4.4Å; R379-P382 HydrophobicContact CB-CB 3.95Å; R379-P382 HydrophobicContact CB-CG 4.05Å; R379-G395 WeakPolarHBondContact CD-O 3.29Å; R379-G395 PolarHBondContact NH1-O 2.78Å; R379-T407 VanDerWaalsContact CZ-OG1 3.31Å; R379-T407 PolarHBondContact NH1-O 2.91Å; R379-T407 PolarHBondContact NH1-OG1 2.97Å; R379-T407 PolarHBondContact NH2-O 2.83Å; R379-T407 PolarHBondContact NH2-OG1 2.83Å; R379-E409 IonicContact CZ-OE1 2.76Å; R379-E409 IonicContact NE-OE1 2.97Å; R379-E409 PolarHBondContact NE-OE1 2.89Å; R379-E409 IonicContact NH2-OE1 3.83Å; R379-E409 PolarHBondContact NH2-OE1 2.79Å
380	I	88.9	Confident	93.3	Very high	14 Å²	14	36 Å²	36	7%	0.072	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-103	137.8	166.1	-50.7	177.2	0	0	0	108	K316 Q333 S355 P382 G396 D397	K316-I380 HydrophobicContact CB-CG2 3.38Å; K316-I380 HydrophobicContact CD-CG2 3.7Å; K316-I380 HydrophobicContact CG-CG2 4.22Å; Q333-I380 HydrophobicContact CB-CD1 4.41Å; S355-I380 WeakPolarHBondContact OG-CD1 3.39Å; I380-P382 VanDerWaalsContact C-N 3.3Å; I380-G396 CarbonylContact O-C 3.54Å; I380-G396 VanDerWaalsContact O-CA 3.25Å; I380-G396 WeakPolarHBondContact O-CA 3.33Å; I380-D397 HydrophobicContact CB-CB 4.36Å; I380-D397 WeakPolarHBondContact CB-O 3.4Å; I380-D397 WeakPolarHBondContact CG1-O 3.28Å; I380-D397 PolarHBondContact N-O 2.8Å; I380-D397 VanDerWaalsContact N-O 3.16Å; I380-D397 PolarHBondContact O-N 2.86Å
381	K	87.8	Confident	93.6	Very high	45 Å²	45	33.8 Å²	33.8	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	53.1	36.8	176.1	-81.2	-179.6	-175.1	-168.1	0	114.4	K316 D587 R589	K316-K381 HydrophobicContact CB-CD 4.46Å; K316-K381 HydrophobicContact CB-CG 3.94Å; K316-K381 WeakPolarHBondContact O-CA 3.41Å; K316-K381 PolarHBondContact O-N 3.14Å; K381-D587 IonicContact NZ-OD1 2.64Å; K381-R589 VanDerWaalsContact CG-NH2 3.27Å; K381-R589 PolarHBondContact O-NH2 3.32Å
382	P	91.2	Very high	93.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.			trans	-58.4	150.2	179.9	28.1	-35.3	0	0	0	111	G318 A330 R379 I380	G318-P382 VanDerWaalsContact CA-O 3.27Å; G318-P382 WeakPolarHBondContact CA-O 3.16Å; A330-P382 HydrophobicContact CB-CG 4.49Å; A330-P382 WeakPolarHBondContact O-CG 3.15Å; R379-P382 HydrophobicContact CB-CB 3.95Å; R379-P382 HydrophobicContact CB-CG 4.05Å; I380-P382 VanDerWaalsContact C-N 3.3Å
383	S	91.9	Very high	93.8	Very high	17 Å²	17	27.9 Å²	27.9	12%	0.119	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121	168.1	-166.2	0	0	0	0	108.2	I394 S433	S383-I394 PolarHBondContact N-O 3.26Å; S383-I394 PolarHBondContact O-N 3.01Å; S383-S433 VanDerWaalsContact CB-OG 3.3Å; S383-S433 WeakPolarHBondContact CB-OG 3.3Å; S383-S433 WeakPolarHBondContact OG-CB 3.48Å; S383-S433 PolarHBondContact OG-N 3.16Å; S383-S433 PolarHBondContact OG-OG 2.73Å
384	L	95.6	Very high	93.7	Very high	14 Å²	14	25.5 Å²	25.5	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.4	174.7	-64.3	-177.9	0	0	0	109.8	G318 L320 A330 Y392 A393	G318-L384 VanDerWaalsContact C-CD1 3.5Å; L320-L384 HydrophobicContact CB-CB 3.71Å; L320-L384 HydrophobicContact CB-CD1 4.21Å; L320-L384 HydrophobicContact CD2-CB 4.32Å; A330-L384 HydrophobicContact CB-CD1 3.62Å; A330-L384 HydrophobicContact CB-CD2 3.81Å; A330-L384 HydrophobicContact CB-CG 4.19Å; L384-Y392 VanDerWaalsContact CA-O 3.32Å; L384-Y392 WeakPolarHBondContact CA-O 3.41Å; L384-A393 HydrophobicContact CD2-CB 3.73Å
385	V	96.9	Very high	93.3	Very high	8 Å²	8	22.5 Å²	22.5	5%	0.048	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152	176.5	-64.3	0	0	0	0	110.9	I391 Y392 I394 V435 I440	V385-I391 CarbonylContact O-C 3.5Å; V385-I391 WeakPolarHBondContact O-CA 3.16Å; V385-Y392 PolarHBondContact N-O 2.85Å; V385-Y392 VanDerWaalsContact N-O 3.09Å; V385-Y392 PolarHBondContact O-N 3.41Å; V385-I394 HydrophobicContact CG2-CD1 3.91Å; V385-V435 HydrophobicContact CB-CG2 3.67Å; V385-V435 HydrophobicContact CG1-CG2 4.19Å; V385-V435 HydrophobicContact CG2-CG2 4.07Å; V385-I440 HydrophobicContact CG2-CD1 3.8Å; V385-I440 HydrophobicContact CG2-CG1 4.1Å; V385-I440 HydrophobicContact CG2-CG2 3.82Å
386	Y	97.4	Very high	92.6	Very high	61 Å²	61	22.7 Å²	22.7	24%	0.239	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.8	173.4	-175.4	-91	0	0	0	109.7	T322 P323 G389 Y390 I391 V435	T322-Y386 HydrophobicContact CG2-CD2 3.63Å; T322-Y386 HydrophobicContact CG2-CE2 4.21Å; T322-Y386 HydrophobicContact CG2-CG 4.18Å; P323-Y386 HydrophobicContact CG-CD1 3.68Å; P323-Y386 HydrophobicContact CG-CE1 3.92Å; P323-Y386 HydrophobicContact CG-CG 4.49Å; Y386-G389 VanDerWaalsContact OH-CA 3.3Å; Y386-G389 WeakPolarHBondContact OH-CA 3.48Å; Y386-G389 PolarHBondContact OH-O 3.43Å; Y386-Y390 CarbonylContact C-O 3.54Å; Y386-Y390 WeakPolarHBondContact CA-O 3.41Å; Y386-I391 HydrophobicContact CD2-CG1 3.93Å; Y386-V435 WeakPolarHBondContact O-CG2 3.35Å
387	C	97	Very high	91.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	133.8	-176.1	-162.6	0	0	0	0	111.1	G389 Y390 Y392 V435 D438 I440	C387-G389 PolarHBondContact O-N 3.2Å; C387-G389 VanDerWaalsContact O-N 3.17Å; C387-Y390 PolarHBondContact N-O 3.37Å; C387-Y390 PolarHBondContact O-N 2.82Å; C387-Y392 HydrophobicContact CB-CD2 4.12Å; C387-Y392 HydrophobicContact CB-CE2 3.95Å; C387-Y392 WeakPolarHBondContact O-CE2 3.42Å; C387-V435 HydrophobicContact CB-CG1 4.18Å; C387-V435 HydrophobicContact CB-CG2 4.09Å; C387-D438 PolarHBondContact SG-O 2.71Å; C387-I440 HydrophobicContact CB-CD1 3.95Å; C387-I440 HydrophobicContact CB-CG1 3.74Å
388	D	93.5	Very high	90.5	Very high	52 Å²	52	24.2 Å²	24.2	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.7	176.9	-159.2	27.7	0	0	0	113.6	Y390 P453 R454	D388-Y390 WeakPolarHBondContact O-CD2 3.38Å; D388-Y390 WeakPolarHBondContact O-CE2 3.42Å; D388-Y390 PolarHBondContact O-N 3.36Å; D388-P453 HydrophobicContact CB-CB 4.4Å; D388-R454 IonicContact OD1-NH2 3.47Å; D388-R454 IonicContact OD2-NE 3.38Å; D388-R454 PolarHBondContact OD2-NE 2.95Å
389	G	92.8	Very high	88.8	Confident	38 Å²	38	25.1 Å²	25.1	39%	0.392	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-11.1	179	0	0	0	0	0	115.9	Y386 C387	Y386-G389 VanDerWaalsContact OH-CA 3.3Å; Y386-G389 WeakPolarHBondContact OH-CA 3.48Å; Y386-G389 PolarHBondContact OH-O 3.43Å; C387-G389 PolarHBondContact O-N 3.2Å; C387-G389 VanDerWaalsContact O-N 3.17Å
390	Y	96.9	Very high	87.3	Confident	66 Å²	66	28 Å²	28	26%	0.259	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.7	-171.1	-59.8	-83	0	0	0	112.9	Y386 C387 D388 R410 D412	Y386-Y390 CarbonylContact C-O 3.54Å; Y386-Y390 WeakPolarHBondContact CA-O 3.41Å; C387-Y390 PolarHBondContact N-O 3.37Å; C387-Y390 PolarHBondContact O-N 2.82Å; D388-Y390 WeakPolarHBondContact O-CD2 3.38Å; D388-Y390 WeakPolarHBondContact O-CE2 3.42Å; D388-Y390 PolarHBondContact O-N 3.36Å; Y390-R410 VanDerWaalsContact CB-CG 3.47Å; Y390-R410 HydrophobicContact CD1-CG 4.01Å; Y390-R410 HydrophobicContact CG-CG 3.79Å; Y390-D412 HydrophobicContact CD1-CB 4.07Å; Y390-D412 HydrophobicContact CE1-CB 3.88Å
391	I	98.1	Very high	86.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.7	170.4	-63.6	172.7	0	0	0	108.6	L320 T322 Y328 F359 V385 Y386 R410 Y411 W418	L320-I391 HydrophobicContact CD2-CB 4.24Å; L320-I391 HydrophobicContact CD2-CD1 4.17Å; L320-I391 HydrophobicContact CD2-CG1 3.81Å; L320-I391 HydrophobicContact CD2-CG2 3.66Å; T322-I391 HydrophobicContact CG2-CD1 4.27Å; T322-I391 HydrophobicContact CG2-CG1 4.44Å; Y328-I391 HydrophobicContact CD1-CD1 4.1Å; Y328-I391 HydrophobicContact CD2-CD1 3.59Å; Y328-I391 HydrophobicContact CE1-CD1 4.11Å; Y328-I391 HydrophobicContact CE2-CD1 3.6Å; Y328-I391 HydrophobicContact CG-CD1 3.84Å; F359-I391 HydrophobicContact CZ-CD1 4.07Å; V385-I391 CarbonylContact O-C 3.5Å; V385-I391 WeakPolarHBondContact O-CA 3.16Å; Y386-I391 HydrophobicContact CD2-CG1 3.93Å; I391-R410 CarbonylContact O-C 3.59Å; I391-R410 WeakPolarHBondContact O-CA 3.27Å; I391-Y411 HydrophobicContact CB-CD1 4.33Å; I391-Y411 HydrophobicContact CD1-CD1 4.14Å; I391-Y411 PolarHBondContact N-O 2.72Å; I391-Y411 VanDerWaalsContact N-O 3.16Å; I391-Y411 PolarHBondContact O-N 3.18Å; I391-W418 HydrophobicContact CG2-CH2 4.46Å
392	Y	97.8	Very high	85	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.6	175.6	-67.1	-103	0	0	0	110.6	L384 V385 C387 V408 E409 R410 M421 I440 Y451	L384-Y392 VanDerWaalsContact CA-O 3.32Å; L384-Y392 WeakPolarHBondContact CA-O 3.41Å; V385-Y392 PolarHBondContact N-O 2.85Å; V385-Y392 VanDerWaalsContact N-O 3.09Å; V385-Y392 PolarHBondContact O-N 3.41Å; C387-Y392 HydrophobicContact CB-CD2 4.12Å; C387-Y392 HydrophobicContact CB-CE2 3.95Å; C387-Y392 WeakPolarHBondContact O-CE2 3.42Å; Y392-V408 HydrophobicContact CD1-CG1 4.13Å; Y392-E409 CarbonylContact C-O 3.53Å; Y392-E409 VanDerWaalsContact CA-O 3.26Å; Y392-E409 WeakPolarHBondContact CA-O 3.37Å; Y392-R410 HydrophobicContact CD1-CB 3.94Å; Y392-R410 HydrophobicContact CD1-CG 4.2Å; Y392-R410 HydrophobicContact CE1-CB 3.7Å; Y392-R410 HydrophobicContact CE1-CG 3.7Å; Y392-R410 HydrophobicContact CE2-CG 4.05Å; Y392-R410 VanDerWaalsContact OH-CD 3.29Å; Y392-R410 WeakPolarHBondContact OH-CD 3.44Å; Y392-M421 HydrophobicContact CD1-CG 4.49Å; Y392-M421 HydrophobicContact CE1-CG 4.13Å; Y392-I440 HydrophobicContact CD1-CD1 3.85Å; Y392-I440 HydrophobicContact CD2-CD1 3.57Å; Y392-I440 HydrophobicContact CE1-CD1 4.24Å; Y392-I440 HydrophobicContact CE2-CD1 3.99Å; Y392-I440 HydrophobicContact CG-CD1 3.5Å; Y392-I440 VanDerWaalsContact CG-CD1 3.5Å; Y392-Y451 HydrophobicContact CD1-CE1 4.33Å; Y392-Y451 AromaticContact CE1-CE1 3.73Å; Y392-Y451 HydrophobicContact CE1-CE1 3.73Å
393	A	95.4	Very high	83.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.1	168.6	0	0	0	0	0	109.6	M375 L384 V408 E409 W418	M375-A393 HydrophobicContact SD-CB 3.71Å; L384-A393 HydrophobicContact CD2-CB 3.73Å; A393-V408 WeakPolarHBondContact O-CA 3.41Å; A393-E409 PolarHBondContact N-O 2.96Å; A393-E409 PolarHBondContact O-N 2.95Å; A393-W418 HydrophobicContact CB-CH2 3.94Å; A393-W418 HydrophobicContact CB-CZ3 3.71Å
394	I	93	Very high	82.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.7	-170.1	-59	166.7	0	0	0	109.7	S383 V385 V408 L424 I440 V442	S383-I394 PolarHBondContact N-O 3.26Å; S383-I394 PolarHBondContact O-N 3.01Å; V385-I394 HydrophobicContact CG2-CD1 3.91Å; I394-V408 HydrophobicContact CG1-CG1 4Å; I394-V408 HydrophobicContact CG1-CG2 4.47Å; I394-V408 HydrophobicContact CG2-CG2 4.35Å; I394-L424 HydrophobicContact CG2-CD1 3.95Å; I394-L424 HydrophobicContact CG2-CD2 4.22Å; I394-L424 HydrophobicContact CG2-CG 4.26Å; I394-I440 HydrophobicContact CD1-CD1 4.33Å; I394-I440 HydrophobicContact CD1-CG2 3.58Å; I394-V442 HydrophobicContact CD1-CG2 4.21Å; I394-V442 HydrophobicContact CG2-CG2 4.08Å
395	G	87.6	Confident	82	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	26%	0.257	C	S	.	.			trans	57.7	-135.8	174.2	0	0	0	0	0	113.4	R379 K405 T407	R379-G395 WeakPolarHBondContact CD-O 3.29Å; R379-G395 PolarHBondContact NH1-O 2.78Å; G395-K405 WeakPolarHBondContact CA-O 3.29Å; G395-T407 PolarHBondContact N-O 2.9Å
396	G	81.3	Confident	81.5	Confident	10 Å²	10	46.8 Å²	46.8	10%	0.103	27%	0.268	C	S	.	.			trans	112.6	158	-175.9	0	0	0	0	0	112.6	I380 N398	I380-G396 CarbonylContact O-C 3.54Å; I380-G396 VanDerWaalsContact O-CA 3.25Å; I380-G396 WeakPolarHBondContact O-CA 3.33Å; G396-N398 PolarHBondContact O-N 2.78Å
397	D	73.6	Confident	81.2	Confident	37 Å²	37	44.6 Å²	44.6	20%	0.198	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-77.8	121.3	179	-62.9	-32.1	0	0	0	108.9	I380	I380-D397 HydrophobicContact CB-CB 4.36Å; I380-D397 WeakPolarHBondContact CB-O 3.4Å; I380-D397 WeakPolarHBondContact CG1-O 3.28Å; I380-D397 PolarHBondContact N-O 2.8Å; I380-D397 VanDerWaalsContact N-O 3.16Å; I380-D397 PolarHBondContact O-N 2.86Å
398	N	63.7	Low	81.1	Confident	110 Å²	110	44.5 Å²	44.5	59%	0.588	26%	0.261	S	S	*	.			trans	60.7	82.4	151.2	-140.2	39	0	0	0	118.6	G396	G396-N398 PolarHBondContact O-N 2.78Å
399	V	55.9	Low	81.2	Confident	44 Å²	44	42 Å²	42	27%	0.267	25%	0.247	S	C	.	.	S	Bend	trans	-149.4	122.2	144.2	-165.5	0	0	0	0	110.8	A378 N404	A378-V399 VanDerWaalsContact C-CG2 3.49Å; A378-V399 HydrophobicContact CB-CB 4.43Å; A378-V399 HydrophobicContact CB-CG1 4.14Å; A378-V399 HydrophobicContact CB-CG2 3.99Å; A378-V399 VanDerWaalsContact O-CB 3.23Å; A378-V399 WeakPolarHBondContact O-CB 3.28Å; A378-V399 WeakPolarHBondContact O-CG2 3.3Å; V399-N404 WeakPolarHBondContact O-CB 3.47Å; V399-N404 PolarHBondContact O-ND2 3.45Å
400	G	57.3	Low	81.4	Confident	68 Å²	68	43 Å²	43	70%	0.701	24%	0.239	S	C	*	.	S	Bend	trans	88.1	11.3	164.6	0	0	0	0	0	118.5	N404	G400-N404 WeakPolarHBondContact CA-ND2 3.49Å
401	G	63.4	Low	81.5	Confident	44 Å²	44	39.8 Å²	39.8	45%	0.454	23%	0.227	S	C	.	.	S	Bend	trans	101.1	-174.8	176.1	0	0	0	0	0	114	L403 N404	G401-L403 VanDerWaalsContact C-N 3.32Å; G401-L403 PolarHBondContact O-N 2.89Å; G401-N404 PolarHBondContact O-N 2.83Å
402	E	65.4	Low	81.3	Confident	144 Å²	144	40.8 Å²	40.8	67%	0.673	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-35	-172.7	-168.3	173.5	176.6	0	0	113.4	N404 K405 A427	E402-N404 PolarHBondContact O-N 3.01Å; E402-K405 WeakPolarHBondContact O-CB 3.41Å; E402-K405 PolarHBondContact O-N 2.81Å; E402-A427 HydrophobicContact CG-CB 3.41Å; E402-A427 VanDerWaalsContact CG-CB 3.41Å
403	L	64.4	Low	81	Confident	130 Å²	130	42 Å²	42	68%	0.681	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-63.2	-39.8	-179.3	-67.7	171.9	0	0	0	112.5	G401 K405 R406	G401-L403 VanDerWaalsContact C-N 3.32Å; G401-L403 PolarHBondContact O-N 2.89Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 3.1Å; L403-R406 WeakPolarHBondContact O-CB 3.44Å; L403-R406 PolarHBondContact O-N 2.92Å; L403-R406 VanDerWaalsContact O-N 3.14Å
404	N	71	Confident	80.5	Confident	56 Å²	56	44 Å²	44	30%	0.299	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-70.3	-22.8	179	-78.2	4	0	0	0	113.2	V399 G400 G401 E402 R406 T407	V399-N404 WeakPolarHBondContact O-CB 3.47Å; V399-N404 PolarHBondContact O-ND2 3.45Å; G400-N404 WeakPolarHBondContact CA-ND2 3.49Å; G401-N404 PolarHBondContact O-N 2.83Å; E402-N404 PolarHBondContact O-N 3.01Å; N404-R406 PolarHBondContact O-N 2.9Å; N404-T407 PolarHBondContact O-N 2.82Å; N404-T407 PolarHBondContact O-OG1 2.92Å
405	K	78.9	Confident	80.2	Confident	43 Å²	43	49.8 Å²	49.8	19%	0.187	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-70.4	-18.1	174.3	-62.7	-175.5	177.7	-170.2	0	112.6	G395 E402 L403 A427 N429	G395-K405 WeakPolarHBondContact CA-O 3.29Å; E402-K405 WeakPolarHBondContact O-CB 3.41Å; E402-K405 PolarHBondContact O-N 2.81Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 3.1Å; K405-A427 HydrophobicContact CB-CB 3.94Å; K405-A427 HydrophobicContact CD-CB 4.44Å; K405-N429 PolarHBondContact NZ-OD1 3.45Å
406	R	87.4	Confident	80.4	Confident	75 Å²	75	50.7 Å²	50.7	28%	0.283	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-92	-15.7	179.2	-61.2	176.7	58.4	-162.3	-6.1	112.6	L403 N404 P423 L424 P425 A427	L403-R406 WeakPolarHBondContact O-CB 3.44Å; L403-R406 PolarHBondContact O-N 2.92Å; L403-R406 VanDerWaalsContact O-N 3.14Å; N404-R406 PolarHBondContact O-N 2.9Å; R406-P423 HydrophobicContact CB-CB 4.06Å; R406-P423 CarbonylContact O-C 3.4Å; R406-P423 WeakPolarHBondContact O-CA 3.1Å; R406-P423 VanDerWaalsContact O-CB 3.27Å; R406-P423 WeakPolarHBondContact O-CB 3.4Å; R406-L424 HydrophobicContact CB-CB 4.32Å; R406-L424 VanDerWaalsContact CZ-O 3.31Å; R406-L424 PolarHBondContact NE-O 3.06Å; R406-L424 PolarHBondContact NH2-O 2.77Å; R406-L424 PolarHBondContact O-N 3.21Å; R406-P425 PolarHBondContact NE-O 3.38Å; R406-P425 PolarHBondContact NH2-O 2.85Å; R406-P425 VanDerWaalsContact NH2-O 3.16Å; R406-A427 HydrophobicContact CG-CB 3.86Å
407	T	90.6	Very high	81	Confident	15 Å²	15	54.8 Å²	54.8	9%	0.092	30%	0.296	C	S	.	.			trans	-68.9	143.3	-171.2	55.4	0	0	0	0	111	R379 G395 N404 M420	R379-T407 VanDerWaalsContact CZ-OG1 3.31Å; R379-T407 PolarHBondContact NH1-O 2.91Å; R379-T407 PolarHBondContact NH1-OG1 2.97Å; R379-T407 PolarHBondContact NH2-O 2.83Å; R379-T407 PolarHBondContact NH2-OG1 2.83Å; G395-T407 PolarHBondContact N-O 2.9Å; N404-T407 PolarHBondContact O-N 2.82Å; N404-T407 PolarHBondContact O-OG1 2.92Å; T407-M420 HydrophobicContact CG2-CE 3.75Å
408	V	94.6	Very high	82.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.4	175.9	179	0	0	0	0	106.2	Y392 A393 I394 M421 L424 W458	Y392-V408 HydrophobicContact CD1-CG1 4.13Å; A393-V408 WeakPolarHBondContact O-CA 3.41Å; I394-V408 HydrophobicContact CG1-CG1 4Å; I394-V408 HydrophobicContact CG1-CG2 4.47Å; I394-V408 HydrophobicContact CG2-CG2 4.35Å; V408-M421 HydrophobicContact CB-CB 4.2Å; V408-M421 HydrophobicContact CG1-CB 3.98Å; V408-M421 HydrophobicContact CG1-CG 4.46Å; V408-M421 PolarHBondContact O-N 2.91Å; V408-L424 HydrophobicContact CG2-CG 4.23Å; V408-W458 HydrophobicContact CG2-CZ2 3.81Å
409	E	95.6	Very high	83.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.6	178.6	-63.5	173.7	-113.9	0	0	109.5	L376 C377 R379 Y392 A393 W418 T419 M420	L376-E409 VanDerWaalsContact CA-OE2 3.32Å; L376-E409 WeakPolarHBondContact CA-OE2 3.1Å; L376-E409 WeakPolarHBondContact CB-OE2 3.45Å; L376-E409 VanDerWaalsContact CG-OE2 3.22Å; L376-E409 WeakPolarHBondContact CG-OE2 3.33Å; L376-E409 PolarHBondContact N-OE2 2.84Å; C377-E409 VanDerWaalsContact CB-OE1 3.29Å; C377-E409 WeakPolarHBondContact CB-OE1 3.44Å; C377-E409 PolarHBondContact N-OE1 3.22Å; R379-E409 IonicContact CZ-OE1 2.76Å; R379-E409 IonicContact NE-OE1 2.97Å; R379-E409 PolarHBondContact NE-OE1 2.89Å; R379-E409 IonicContact NH2-OE1 3.83Å; R379-E409 PolarHBondContact NH2-OE1 2.79Å; Y392-E409 CarbonylContact C-O 3.53Å; Y392-E409 VanDerWaalsContact CA-O 3.26Å; Y392-E409 WeakPolarHBondContact CA-O 3.37Å; A393-E409 PolarHBondContact N-O 2.96Å; A393-E409 PolarHBondContact O-N 2.95Å; E409-W418 HydrophobicContact CB-CE3 3.67Å; E409-W418 HydrophobicContact CB-CZ3 4.07Å; E409-T419 CarbonylContact C-O 3.49Å; E409-T419 WeakPolarHBondContact CA-O 3.12Å; E409-M420 HydrophobicContact CG-SD 3.55Å; E409-M420 VanDerWaalsContact CG-SD 3.55Å
410	R	97.7	Very high	85.7	Confident	57 Å²	57	53.5 Å²	53.5	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.4	179.2	-177.4	-167.2	71.7	-177	-3.1	109.6	Y390 I391 Y392 W418 T419 M421	Y390-R410 VanDerWaalsContact CB-CG 3.47Å; Y390-R410 HydrophobicContact CD1-CG 4.01Å; Y390-R410 HydrophobicContact CG-CG 3.79Å; I391-R410 CarbonylContact O-C 3.59Å; I391-R410 WeakPolarHBondContact O-CA 3.27Å; Y392-R410 HydrophobicContact CD1-CB 3.94Å; Y392-R410 HydrophobicContact CD1-CG 4.2Å; Y392-R410 HydrophobicContact CE1-CB 3.7Å; Y392-R410 HydrophobicContact CE1-CG 3.7Å; Y392-R410 HydrophobicContact CE2-CG 4.05Å; Y392-R410 VanDerWaalsContact OH-CD 3.29Å; Y392-R410 WeakPolarHBondContact OH-CD 3.44Å; R410-W418 CarbonylContact O-C 3.51Å; R410-W418 WeakPolarHBondContact O-CA 3.22Å; R410-T419 PolarHBondContact N-O 2.84Å; R410-T419 PolarHBondContact O-N 3.13Å; R410-M421 HydrophobicContact CB-CG 3.58Å; R410-M421 HydrophobicContact CB-SD 3.73Å
411	Y	98.1	Very high	87.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.3	175.7	176.7	-102.4	0	0	0	111.2	F359 I391 C413 D416 E417 W418	F359-Y411 HydrophobicContact CD1-CD2 4.33Å; F359-Y411 HydrophobicContact CD1-CE2 4.15Å; F359-Y411 AromaticContact CE1-CD1 3.7Å; F359-Y411 HydrophobicContact CE1-CD1 3.7Å; F359-Y411 AromaticContact CE1-CD2 3.97Å; F359-Y411 HydrophobicContact CE1-CD2 3.97Å; F359-Y411 AromaticContact CE1-CE1 3.58Å; F359-Y411 HydrophobicContact CE1-CE1 3.58Å; F359-Y411 AromaticContact CE1-CE2 3.86Å; F359-Y411 HydrophobicContact CE1-CE2 3.86Å; F359-Y411 AromaticContact CE1-CG 3.88Å; F359-Y411 HydrophobicContact CE1-CG 3.88Å; F359-Y411 AromaticContact CE1-CZ 3.68Å; F359-Y411 HydrophobicContact CZ-CD1 4.08Å; F359-Y411 HydrophobicContact CZ-CE1 4.24Å; F359-Y411 HydrophobicContact CZ-CG 4.41Å; I391-Y411 HydrophobicContact CB-CD1 4.33Å; I391-Y411 HydrophobicContact CD1-CD1 4.14Å; I391-Y411 PolarHBondContact N-O 2.72Å; I391-Y411 VanDerWaalsContact N-O 3.16Å; I391-Y411 PolarHBondContact O-N 3.18Å; Y411-C413 VanDerWaalsContact CE1-CA 3.49Å; Y411-C413 HydrophobicContact CE1-CB 4.12Å; Y411-D416 WeakPolarHBondContact CE2-OD1 3.31Å; Y411-D416 PolarHBondContact OH-OD1 3.47Å; Y411-E417 WeakPolarHBondContact CA-O 3.43Å; Y411-W418 AromaticContact CD2-CD1 3.75Å; Y411-W418 AromaticContact CD2-CD2 3.97Å; Y411-W418 HydrophobicContact CD2-CD2 3.97Å; Y411-W418 AromaticContact CD2-CE2 3.58Å; Y411-W418 HydrophobicContact CD2-CG 4.07Å; Y411-W418 HydrophobicContact CD2-CZ2 4.08Å; Y411-W418 AromaticContact CD2-NE1 3.43Å; Y411-W418 HydrophobicContact CG-CD2 4.26Å; Y411-W418 AromaticContact CG-CE2 3.92Å; Y411-W418 HydrophobicContact CG-CH2 4.42Å; Y411-W418 HydrophobicContact CG-CZ2 4.01Å
412	D	95.1	Very high	89.1	Confident	20 Å²	20	51.1 Å²	51.1	11%	0.107	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.2	171.1	-173.5	-33.3	0	0	0	109.3	Y390 E414 K415 D416 E417	Y390-D412 HydrophobicContact CD1-CB 4.07Å; Y390-D412 HydrophobicContact CE1-CB 3.88Å; D412-E414 PolarHBondContact O-N 2.78Å; D412-E414 PolarHBondContact OD1-N 3.31Å; D412-K415 HydrophobicContact CB-CB 4.15Å; D412-K415 PolarHBondContact O-N 3.07Å; D412-K415 PolarHBondContact OD1-N 3.15Å; D412-K415 VanDerWaalsContact OD1-N 3.11Å; D412-K415 WeakPolarHBondContact OD2-CD 3.49Å; D412-D416 WeakPolarHBondContact O-CA 3.38Å; D412-D416 PolarHBondContact O-N 3.33Å; D412-E417 PolarHBondContact N-O 2.91Å; D412-E417 PolarHBondContact O-N 3.11Å
413	C	90.3	Very high	90.4	Very high	28 Å²	28	47.1 Å²	47.1	19%	0.189	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.6	-177.6	-65.9	0	0	0	0	113.6	Y411	Y411-C413 VanDerWaalsContact CE1-CA 3.49Å; Y411-C413 HydrophobicContact CE1-CB 4.12Å
414	E	85.3	Confident	91.7	Very high	41 Å²	41	41 Å²	41	19%	0.192	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-38.7	-177.7	-57	-60.4	161.4	0	0	110.1	N130 E132 R163 D412	N130-E414 PolarHBondContact ND2-O 2.96Å; E132-E414 HydrophobicContact CG-CG 4.45Å; R163-E414 IonicContact CZ-OE1 3.51Å; R163-E414 IonicContact NH1-OE1 3.91Å; R163-E414 IonicContact NH2-OE1 3.48Å; R163-E414 PolarHBondContact NH2-OE1 3.48Å; D412-E414 PolarHBondContact O-N 2.78Å; D412-E414 PolarHBondContact OD1-N 3.31Å
415	K	86.8	Confident	92.6	Very high	123 Å²	123	40 Å²	40	54%	0.535	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-21.5	177.7	-62.7	-177.8	-174.3	174.3	0	114.3	K128 D412 E417	K128-K415 PolarHBondContact NZ-O 2.91Å; D412-K415 HydrophobicContact CB-CB 4.15Å; D412-K415 PolarHBondContact O-N 3.07Å; D412-K415 PolarHBondContact OD1-N 3.15Å; D412-K415 VanDerWaalsContact OD1-N 3.11Å; D412-K415 WeakPolarHBondContact OD2-CD 3.49Å; K415-E417 HydrophobicContact CB-CB 4.2Å; K415-E417 HydrophobicContact CB-CG 4.19Å
416	D	91.9	Very high	92.8	Very high	19 Å²	19	43.3 Å²	43.3	10%	0.102	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	50.9	-169.5	-170	18.5	0	0	0	111.2	T373 Y411 D412	T373-D416 WeakPolarHBondContact CB-O 3.23Å; T373-D416 WeakPolarHBondContact CB-OD1 3.37Å; T373-D416 PolarHBondContact N-OD1 3.46Å; T373-D416 VanDerWaalsContact OG1-CG 3.23Å; T373-D416 PolarHBondContact OG1-O 3.41Å; T373-D416 PolarHBondContact OG1-OD1 2.9Å; T373-D416 VanDerWaalsContact OG1-OD1 3.11Å; T373-D416 PolarHBondContact OG1-OD2 2.62Å; Y411-D416 WeakPolarHBondContact CE2-OD1 3.31Å; Y411-D416 PolarHBondContact OH-OD1 3.47Å; D412-D416 WeakPolarHBondContact O-CA 3.38Å; D412-D416 PolarHBondContact O-N 3.33Å
417	E	94.4	Very high	92.5	Very high	97 Å²	97	41 Å²	41	45%	0.453	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.3	-175	-71.3	-179.2	172.3	0	0	111.9	Y411 D412 K415	Y411-E417 WeakPolarHBondContact CA-O 3.43Å; D412-E417 PolarHBondContact N-O 2.91Å; D412-E417 PolarHBondContact O-N 3.11Å; K415-E417 HydrophobicContact CB-CB 4.2Å; K415-E417 HydrophobicContact CB-CG 4.19Å
418	W	97.5	Very high	91.8	Very high	17 Å²	17	41.1 Å²	41.1	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.8	173.2	-70.1	90.6	0	0	0	111.1	F359 T373 M375 L376 I391 A393 E409 R410 Y411	F359-W418 HydrophobicContact CB-CZ2 4.37Å; F359-W418 AromaticContact CD1-CZ2 3.68Å; F359-W418 HydrophobicContact CD1-CZ2 3.68Å; F359-W418 AromaticContact CD1-NE1 3.9Å; F359-W418 AromaticContact CD2-CZ2 3.82Å; F359-W418 HydrophobicContact CD2-CZ2 3.82Å; F359-W418 AromaticContact CE1-CZ2 3.83Å; F359-W418 HydrophobicContact CE1-CZ2 3.83Å; F359-W418 HydrophobicContact CE2-CH2 4.38Å; F359-W418 AromaticContact CE2-CZ2 3.94Å; F359-W418 HydrophobicContact CE2-CZ2 3.94Å; F359-W418 AromaticContact CG-CZ2 3.7Å; F359-W418 HydrophobicContact CG-CZ2 3.7Å; F359-W418 HydrophobicContact CZ-CH2 4.49Å; F359-W418 AromaticContact CZ-CZ2 3.95Å; F359-W418 HydrophobicContact CZ-CZ2 3.95Å; T373-W418 PolarHBondContact O-NE1 3.24Å; M375-W418 HydrophobicContact CG-CD2 4.1Å; M375-W418 HydrophobicContact CG-CE3 4.37Å; M375-W418 HydrophobicContact CG-CH2 3.84Å; M375-W418 HydrophobicContact CG-CZ2 3.52Å; M375-W418 HydrophobicContact CG-CZ3 4.26Å; M375-W418 HydrophobicContact SD-CH2 4.28Å; M375-W418 HydrophobicContact SD-CZ2 4.44Å; L376-W418 HydrophobicContact CD1-CB 4.26Å; L376-W418 HydrophobicContact CD2-CB 4.18Å; L376-W418 HydrophobicContact CG-CB 3.84Å; I391-W418 HydrophobicContact CG2-CH2 4.46Å; A393-W418 HydrophobicContact CB-CH2 3.94Å; A393-W418 HydrophobicContact CB-CZ3 3.71Å; E409-W418 HydrophobicContact CB-CE3 3.67Å; E409-W418 HydrophobicContact CB-CZ3 4.07Å; R410-W418 CarbonylContact O-C 3.51Å; R410-W418 WeakPolarHBondContact O-CA 3.22Å; Y411-W418 AromaticContact CD2-CD1 3.75Å; Y411-W418 AromaticContact CD2-CD2 3.97Å; Y411-W418 HydrophobicContact CD2-CD2 3.97Å; Y411-W418 AromaticContact CD2-CE2 3.58Å; Y411-W418 HydrophobicContact CD2-CG 4.07Å; Y411-W418 HydrophobicContact CD2-CZ2 4.08Å; Y411-W418 AromaticContact CD2-NE1 3.43Å; Y411-W418 HydrophobicContact CG-CD2 4.26Å; Y411-W418 AromaticContact CG-CE2 3.92Å; Y411-W418 HydrophobicContact CG-CH2 4.42Å; Y411-W418 HydrophobicContact CG-CZ2 4.01Å
419	T	97.4	Very high	90.9	Very high	60 Å²	60	43.5 Å²	43.5	37%	0.368	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.1	174.3	-50.9	0	0	0	0	109.6	E409 R410 M421	E409-T419 CarbonylContact C-O 3.49Å; E409-T419 WeakPolarHBondContact CA-O 3.12Å; R410-T419 PolarHBondContact N-O 2.84Å; R410-T419 PolarHBondContact O-N 3.13Å; T419-M421 HydrophobicContact CG2-SD 4.44Å
420	M	96.1	Very high	90	Very high	87 Å²	87	48.8 Å²	48.8	43%	0.429	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.2	171.1	-71.3	-63.2	-57.7	0	0	110.6	L376 T407 E409	L376-M420 HydrophobicContact CB-SD 4.45Å; L376-M420 HydrophobicContact CD1-CG 3.6Å; L376-M420 HydrophobicContact CD1-SD 3.88Å; T407-M420 HydrophobicContact CG2-CE 3.75Å; E409-M420 HydrophobicContact CG-SD 3.55Å; E409-M420 VanDerWaalsContact CG-SD 3.55Å
421	M	97.1	Very high	89.3	Confident	25 Å²	25	47.2 Å²	47.2	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	175.2	175	-54.2	-51.4	-56.1	0	0	110.7	Y392 V408 R410 T419 Y451 D456	Y392-M421 HydrophobicContact CD1-CG 4.49Å; Y392-M421 HydrophobicContact CE1-CG 4.13Å; V408-M421 HydrophobicContact CB-CB 4.2Å; V408-M421 HydrophobicContact CG1-CB 3.98Å; V408-M421 HydrophobicContact CG1-CG 4.46Å; V408-M421 PolarHBondContact O-N 2.91Å; R410-M421 HydrophobicContact CB-CG 3.58Å; R410-M421 HydrophobicContact CB-SD 3.73Å; T419-M421 HydrophobicContact CG2-SD 4.44Å; M421-Y451 VanDerWaalsContact CE-OH 3.23Å; M421-Y451 WeakPolarHBondContact CE-OH 3.25Å; M421-D456 HydrophobicContact CE-CB 4.28Å; M421-D456 WeakPolarHBondContact CE-OD1 3.47Å
422	S	95.7	Very high	88.9	Confident	36 Å²	36	48.5 Å²	48.5	25%	0.252	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-57.6	125.9	177.2	-79.4	0	0	0	0	111.3	D456 W458	S422-D456 VanDerWaalsContact CB-O 3.26Å; S422-D456 WeakPolarHBondContact CB-O 3.49Å; S422-D456 WeakPolarHBondContact CB-OD1 3.13Å; S422-D456 PolarHBondContact N-OD1 2.92Å; S422-D456 PolarHBondContact N-OD2 2.96Å; S422-D456 PolarHBondContact OG-O 2.89Å; S422-D456 PolarHBondContact OG-OD1 3.31Å; S422-D456 PolarHBondContact OG-OD2 2.83Å; S422-W458 PolarHBondContact O-NE1 2.98Å
423	P	93.4	Very high	88.8	Confident	61 Å²	61	48.2 Å²	48.2	40%	0.396	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-70.5	156	-173.9	30.2	-35.9	0	0	0	111.2	R406 W458	R406-P423 HydrophobicContact CB-CB 4.06Å; R406-P423 CarbonylContact O-C 3.4Å; R406-P423 WeakPolarHBondContact O-CA 3.1Å; R406-P423 VanDerWaalsContact O-CB 3.27Å; R406-P423 WeakPolarHBondContact O-CB 3.4Å; P423-W458 VanDerWaalsContact O-CD1 3.26Å; P423-W458 PolarHBondContact O-NE1 2.87Å
424	L	90.8	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-50.1	143.2	168	-70.7	167	0	0	0	110.2	I394 R406 V408 F426 W428 V442 W458	I394-L424 HydrophobicContact CG2-CD1 3.95Å; I394-L424 HydrophobicContact CG2-CD2 4.22Å; I394-L424 HydrophobicContact CG2-CG 4.26Å; R406-L424 HydrophobicContact CB-CB 4.32Å; R406-L424 VanDerWaalsContact CZ-O 3.31Å; R406-L424 PolarHBondContact NE-O 3.06Å; R406-L424 PolarHBondContact NH2-O 2.77Å; R406-L424 PolarHBondContact O-N 3.21Å; V408-L424 HydrophobicContact CG2-CG 4.23Å; L424-F426 WeakPolarHBondContact CB-O 3.39Å; L424-F426 PolarHBondContact O-N 3.25Å; L424-W428 HydrophobicContact CD1-CE3 4.41Å; L424-W428 HydrophobicContact CD2-CE3 4.22Å; L424-W428 HydrophobicContact CD2-CZ3 4Å; L424-V442 HydrophobicContact CD2-CB 4.35Å; L424-V442 HydrophobicContact CD2-CG1 4.25Å; L424-V442 HydrophobicContact CD2-CG2 4.29Å; L424-W458 HydrophobicContact CD2-CD2 4.37Å; L424-W458 HydrophobicContact CD2-CE3 4.24Å; L424-W458 HydrophobicContact CD2-CH2 3.44Å; L424-W458 VanDerWaalsContact CD2-CH2 3.44Å; L424-W458 HydrophobicContact CD2-CZ2 3.58Å; L424-W458 HydrophobicContact CD2-CZ3 3.77Å; L424-W458 HydrophobicContact CG-CZ2 4.27Å
425	P	89.3	Confident	89.7	Confident	36 Å²	36	47.3 Å²	47.3	23%	0.234	25%	0.246	C	C	.	.	S	Bend	trans	-58.8	-33.9	178	-30.6	40.4	0	0	0	113.3	R406 Y449 W458	R406-P425 PolarHBondContact NE-O 3.38Å; R406-P425 PolarHBondContact NH2-O 2.85Å; R406-P425 VanDerWaalsContact NH2-O 3.16Å; P425-Y449 HydrophobicContact CB-CD1 4.44Å; P425-Y449 HydrophobicContact CB-CE1 3.98Å; P425-Y449 HydrophobicContact CG-CD1 3.64Å; P425-Y449 HydrophobicContact CG-CE1 3.62Å; P425-W458 HydrophobicContact CG-CB 3.79Å; P425-W458 HydrophobicContact CG-CG 4.13Å
426	F	83.6	Confident	90.1	Very high	113 Å²	113	41.9 Å²	41.9	50%	0.496	22%	0.223	S	C	.	.	S	Bend	trans	-135.5	155.4	-179.8	-57.2	-78.3	0	0	0	111.7	L424 W428	L424-F426 WeakPolarHBondContact CB-O 3.39Å; L424-F426 PolarHBondContact O-N 3.25Å; F426-W428 PolarHBondContact O-N 3.27Å
427	A	81	Confident	90.2	Very high	27 Å²	27	45.2 Å²	45.2	22%	0.223	24%	0.238	C	C	.	.			trans	-76.4	113.2	173.9	0	0	0	0	0	109.6	E402 K405 R406	E402-A427 HydrophobicContact CG-CB 3.41Å; E402-A427 VanDerWaalsContact CG-CB 3.41Å; K405-A427 HydrophobicContact CB-CB 3.94Å; K405-A427 HydrophobicContact CD-CB 4.44Å; R406-A427 HydrophobicContact CG-CB 3.86Å
428	W	76.9	Confident	90.1	Very high	16 Å²	16	45.6 Å²	45.6	6%	0.061	24%	0.243	C	C	.	.			trans	-109.5	142.5	179.7	-66.8	-26.5	0	0	0	111.6	L424 F426 V442 T444 L447 Y449	L424-W428 HydrophobicContact CD1-CE3 4.41Å; L424-W428 HydrophobicContact CD2-CE3 4.22Å; L424-W428 HydrophobicContact CD2-CZ3 4Å; F426-W428 PolarHBondContact O-N 3.27Å; W428-V442 HydrophobicContact CE3-CG1 3.73Å; W428-V442 HydrophobicContact CZ3-CB 3.89Å; W428-V442 HydrophobicContact CZ3-CG1 3.53Å; W428-T444 HydrophobicContact CB-CG2 3.8Å; W428-T444 HydrophobicContact CD2-CG2 3.32Å; W428-T444 HydrophobicContact CE3-CG2 3.86Å; W428-T444 HydrophobicContact CG-CG2 3.3Å; W428-T444 HydrophobicContact CZ2-CG2 4.34Å; W428-L447 HydrophobicContact CZ2-CB 4.34Å; W428-L447 HydrophobicContact CZ2-CD1 4.42Å; W428-Y449 AromaticContact CH2-CD2 3.27Å; W428-Y449 HydrophobicContact CH2-CD2 3.27Å; W428-Y449 AromaticContact CH2-CE2 3.98Å; W428-Y449 HydrophobicContact CH2-CE2 3.98Å; W428-Y449 AromaticContact CH2-CG 3.78Å; W428-Y449 HydrophobicContact CH2-CG 3.78Å; W428-Y449 AromaticContact CZ2-CD2 3.55Å; W428-Y449 HydrophobicContact CZ2-CD2 3.55Å; W428-Y449 AromaticContact CZ2-CE2 3.75Å; W428-Y449 HydrophobicContact CZ2-CE2 3.75Å; W428-Y449 HydrophobicContact CZ2-CG 4.36Å
429	N	75.8	Confident	90.1	Very high	50 Å²	50	45.5 Å²	45.5	27%	0.267	25%	0.245	S	C	.	.	S	Bend	trans	-101	150.7	165.2	-53.8	-52.3	0	0	0	108.3	K405 S431 T444	K405-N429 PolarHBondContact NZ-OD1 3.45Å; N429-S431 PolarHBondContact O-N 3.07Å; N429-S431 VanDerWaalsContact O-N 3.07Å; N429-T444 PolarHBondContact O-OG1 3Å
430	W	75.3	Confident	90.1	Very high	112 Å²	112	42.6 Å²	42.6	42%	0.424	23%	0.228	S	C	.	.	S	Bend	trans	54.2	32.3	170.5	-42	-56.7	0	0	0	114.6	C469 F470	W430-C469 HydrophobicContact CB-CB 4.28Å; W430-C469 HydrophobicContact CE3-CB 4.41Å; W430-F470 HydrophobicContact CB-CD1 4Å; W430-F470 HydrophobicContact CB-CE1 3.89Å; W430-F470 HydrophobicContact CB-CG 4.45Å; W430-F470 HydrophobicContact CB-CZ 4.22Å; W430-F470 AromaticContact CD1-CD1 3.99Å; W430-F470 AromaticContact CD1-CE1 3.13Å; W430-F470 AromaticContact CD1-CZ 3.51Å; W430-F470 AromaticContact CD2-CE1 3.85Å; W430-F470 HydrophobicContact CD2-CE1 3.85Å; W430-F470 AromaticContact CD2-CE2 3.99Å; W430-F470 HydrophobicContact CD2-CE2 3.99Å; W430-F470 AromaticContact CD2-CZ 3.4Å; W430-F470 HydrophobicContact CD2-CZ 3.4Å; W430-F470 VanDerWaalsContact CD2-CZ 3.4Å; W430-F470 AromaticContact CE2-CE1 3.93Å; W430-F470 AromaticContact CE2-CZ 3.43Å; W430-F470 VanDerWaalsContact CE2-CZ 3.43Å; W430-F470 HydrophobicContact CE3-CE2 4.28Å; W430-F470 HydrophobicContact CE3-CZ 4.12Å; W430-F470 AromaticContact CG-CD1 3.94Å; W430-F470 HydrophobicContact CG-CD1 3.94Å; W430-F470 AromaticContact CG-CE1 3.31Å; W430-F470 HydrophobicContact CG-CE1 3.31Å; W430-F470 HydrophobicContact CG-CE2 4.15Å; W430-F470 AromaticContact CG-CZ 3.42Å; W430-F470 HydrophobicContact CG-CZ 3.42Å; W430-F470 VanDerWaalsContact CG-CZ 3.42Å; W430-F470 HydrophobicContact CZ2-CZ 4.13Å; W430-F470 AromaticContact NE1-CE1 3.49Å; W430-F470 AromaticContact NE1-CZ 3.48Å
431	S	83.6	Confident	90.2	Very high	24 Å²	24	39 Å²	39	17%	0.168	21%	0.209	C	C	.	.			trans	-70.4	148.6	173.1	55.9	0	0	0	0	110.8	N429 M443	N429-S431 PolarHBondContact O-N 3.07Å; N429-S431 VanDerWaalsContact O-N 3.07Å; S431-M443 WeakPolarHBondContact CA-O 3.36Å
432	T	89.3	Confident	90.1	Very high	27 Å²	27	37.8 Å²	37.8	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.3	168.2	-172.6	0	0	0	0	109.1	M443 A473 Y482	T432-M443 HydrophobicContact CG2-CB 4.11Å; T432-M443 HydrophobicContact CG2-CE 4.27Å; T432-M443 PolarHBondContact N-O 3.07Å; T432-M443 PolarHBondContact O-N 3.09Å; T432-A473 HydrophobicContact CG2-CB 3.75Å; T432-Y482 HydrophobicContact CG2-CD2 4.21Å; T432-Y482 HydrophobicContact CG2-CE2 3.77Å
433	S	94.2	Very high	89.9	Confident	13 Å²	13	36.1 Å²	36.1	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.4	179.3	-35.5	0	0	0	0	111.1	S383 Y441	S383-S433 VanDerWaalsContact CB-OG 3.3Å; S383-S433 WeakPolarHBondContact CB-OG 3.3Å; S383-S433 WeakPolarHBondContact OG-CB 3.48Å; S383-S433 PolarHBondContact OG-N 3.16Å; S383-S433 PolarHBondContact OG-OG 2.73Å; S433-Y441 CarbonylContact C-O 3.57Å; S433-Y441 WeakPolarHBondContact CA-O 3.3Å
434	V	96.1	Very high	89.6	Confident	10 Å²	10	33.2 Å²	33.2	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	161.6	175.8	-59.7	0	0	0	0	109.4	Y441 M443 A473 A475 I480	V434-Y441 PolarHBondContact N-O 2.97Å; V434-Y441 PolarHBondContact O-N 2.73Å; V434-M443 HydrophobicContact CG1-CE 4.24Å; V434-M443 HydrophobicContact CG2-CE 3.69Å; V434-A473 HydrophobicContact CG1-CB 3.64Å; V434-A475 HydrophobicContact CB-CB 4.38Å; V434-I480 HydrophobicContact CG2-CB 4.42Å; V434-I480 HydrophobicContact CG2-CD1 3.68Å; V434-I480 HydrophobicContact CG2-CG1 3.85Å; V434-I480 HydrophobicContact CG2-CG2 3.74Å
435	V	96.9	Very high	89.5	Confident	41 Å²	41	35.7 Å²	35.7	25%	0.248	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	176.7	175.4	0	0	0	0	109.2	V385 Y386 C387 C439 I440 A475	V385-V435 HydrophobicContact CB-CG2 3.67Å; V385-V435 HydrophobicContact CG1-CG2 4.19Å; V385-V435 HydrophobicContact CG2-CG2 4.07Å; Y386-V435 WeakPolarHBondContact O-CG2 3.35Å; C387-V435 HydrophobicContact CB-CG1 4.18Å; C387-V435 HydrophobicContact CB-CG2 4.09Å; V435-C439 WeakPolarHBondContact CA-O 3.37Å; V435-I440 HydrophobicContact CG2-CG1 4.17Å; V435-A475 WeakPolarHBondContact O-CB 3.45Å
436	A	95.8	Very high	89.5	Confident	8 Å²	8	36.9 Å²	36.9	7%	0.066	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	139.4	172.4	0	0	0	0	0	109	D438 C439 Y441 A475 I480 V513	A436-D438 VanDerWaalsContact C-N 3.3Å; A436-D438 PolarHBondContact O-N 2.77Å; A436-C439 PolarHBondContact N-O 3.43Å; A436-C439 PolarHBondContact O-N 3.04Å; A436-Y441 HydrophobicContact CB-CD2 4.21Å; A436-Y441 HydrophobicContact CB-CE2 3.89Å; A436-A475 HydrophobicContact CB-CB 4.4Å; A436-I480 HydrophobicContact CB-CD1 4.21Å; A436-I480 HydrophobicContact CB-CG1 4.33Å; A436-V513 HydrophobicContact CB-CG2 4.01Å
437	H	93.4	Very high	89.9	Confident	89 Å²	89	33.3 Å²	33.3	41%	0.412	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	47.9	-179.3	-61.2	177.1	0	0	0	113.5	C439 D478 N514	H437-C439 PolarHBondContact O-N 2.96Å; H437-C439 PolarHBondContact O-SG 2.74Å; H437-D478 IonicContact CD2-OD1 3.41Å; H437-D478 IonicContact CE1-OD1 2.67Å; H437-D478 IonicContact NE2-OD1 3.97Å; H437-D478 PolarHBondContact NE2-OD1 3.2Å; H437-N514 PolarHBondContact CE1-OD1 2.86Å
438	D	93.9	Very high	90.5	Very high	105 Å²	105	32 Å²	32	56%	0.561	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	24.1	-178.6	-58	-43.8	0	0	0	114.8	C387 A436 P453	C387-D438 PolarHBondContact SG-O 2.71Å; A436-D438 VanDerWaalsContact C-N 3.3Å; A436-D438 PolarHBondContact O-N 2.77Å; D438-P453 WeakPolarHBondContact O-CD 3.45Å
439	C	96.9	Very high	91.4	Very high	15 Å²	15	32.2 Å²	32.2	10%	0.101	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.1	175.5	-59.6	0	0	0	0	110.7	V435 A436 H437 Y441 C450 F452	V435-C439 WeakPolarHBondContact CA-O 3.37Å; A436-C439 PolarHBondContact N-O 3.43Å; A436-C439 PolarHBondContact O-N 3.04Å; H437-C439 PolarHBondContact O-N 2.96Å; H437-C439 PolarHBondContact O-SG 2.74Å; C439-Y441 HydrophobicContact CB-CE2 4.04Å; C439-C450 VanDerWaalsContact CB-SG 3.54Å; C439-F452 WeakPolarHBondContact SG-CD1 3.43Å
440	I	97.9	Very high	92.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.9	-177.4	-52.9	173.8	0	0	0	109.4	V385 C387 Y392 I394 V435 V442 C450 Y451	V385-I440 HydrophobicContact CG2-CD1 3.8Å; V385-I440 HydrophobicContact CG2-CG1 4.1Å; V385-I440 HydrophobicContact CG2-CG2 3.82Å; C387-I440 HydrophobicContact CB-CD1 3.95Å; C387-I440 HydrophobicContact CB-CG1 3.74Å; Y392-I440 HydrophobicContact CD1-CD1 3.85Å; Y392-I440 HydrophobicContact CD2-CD1 3.57Å; Y392-I440 HydrophobicContact CE1-CD1 4.24Å; Y392-I440 HydrophobicContact CE2-CD1 3.99Å; Y392-I440 HydrophobicContact CG-CD1 3.5Å; Y392-I440 VanDerWaalsContact CG-CD1 3.5Å; I394-I440 HydrophobicContact CD1-CD1 4.33Å; I394-I440 HydrophobicContact CD1-CG2 3.58Å; V435-I440 HydrophobicContact CG2-CG1 4.17Å; I440-V442 HydrophobicContact CG2-CG2 4.22Å; I440-C450 CarbonylContact O-C 3.54Å; I440-C450 WeakPolarHBondContact O-CA 3.27Å; I440-Y451 HydrophobicContact CB-CD1 4.41Å; I440-Y451 HydrophobicContact CD1-CD1 3.86Å; I440-Y451 HydrophobicContact CD1-CE1 4.36Å; I440-Y451 HydrophobicContact CG1-CD1 4.31Å; I440-Y451 PolarHBondContact N-O 3.08Å; I440-Y451 PolarHBondContact O-N 2.85Å
441	Y	97.1	Very high	93.5	Very high	11 Å²	11	24.5 Å²	24.5	4%	0.043	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.2	176.8	-64.7	-91.3	0	0	0	110	S433 V434 A436 C439 M448 Y449 C450 M461 I480 Y511 V513	S433-Y441 CarbonylContact C-O 3.57Å; S433-Y441 WeakPolarHBondContact CA-O 3.3Å; V434-Y441 PolarHBondContact N-O 2.97Å; V434-Y441 PolarHBondContact O-N 2.73Å; A436-Y441 HydrophobicContact CB-CD2 4.21Å; A436-Y441 HydrophobicContact CB-CE2 3.89Å; C439-Y441 HydrophobicContact CB-CE2 4.04Å; Y441-M448 HydrophobicContact CD1-CE 3.37Å; Y441-M448 HydrophobicContact CD1-CG 4.47Å; Y441-M448 HydrophobicContact CD1-SD 4.4Å; Y441-M448 HydrophobicContact CE1-CE 4.2Å; Y441-M448 HydrophobicContact CG-CE 3.74Å; Y441-Y449 CarbonylContact C-O 3.58Å; Y441-Y449 WeakPolarHBondContact CA-O 3.47Å; Y441-C450 HydrophobicContact CD1-CB 3.75Å; Y441-C450 HydrophobicContact CE1-CB 3.57Å; Y441-C450 VanDerWaalsContact CE1-SG 3.53Å; Y441-C450 VanDerWaalsContact CZ-SG 3.56Å; Y441-M461 HydrophobicContact CD1-CG 4.34Å; Y441-M461 HydrophobicContact CE1-CE 4.43Å; Y441-M461 HydrophobicContact CE1-CG 4.24Å; Y441-I480 HydrophobicContact CD1-CD1 4.16Å; Y441-I480 HydrophobicContact CD2-CD1 3.57Å; Y441-I480 HydrophobicContact CE2-CD1 4.1Å; Y441-I480 HydrophobicContact CG-CD1 3.6Å; Y441-Y511 HydrophobicContact CE1-CE1 4.11Å; Y441-V513 VanDerWaalsContact OH-CG1 3.32Å; Y441-V513 WeakPolarHBondContact OH-CG1 3.39Å
442	V	95.1	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	177.5	-173.1	0	0	0	0	108.8	I394 L424 W428 I440 M448 Y449 W458	I394-V442 HydrophobicContact CD1-CG2 4.21Å; I394-V442 HydrophobicContact CG2-CG2 4.08Å; L424-V442 HydrophobicContact CD2-CB 4.35Å; L424-V442 HydrophobicContact CD2-CG1 4.25Å; L424-V442 HydrophobicContact CD2-CG2 4.29Å; W428-V442 HydrophobicContact CE3-CG1 3.73Å; W428-V442 HydrophobicContact CZ3-CB 3.89Å; W428-V442 HydrophobicContact CZ3-CG1 3.53Å; I440-V442 HydrophobicContact CG2-CG2 4.22Å; V442-M448 WeakPolarHBondContact O-CA 3.47Å; V442-Y449 PolarHBondContact N-O 2.96Å; V442-Y449 PolarHBondContact O-N 2.76Å; V442-W458 HydrophobicContact CB-CH2 4.34Å; V442-W458 HydrophobicContact CB-CZ3 4.08Å; V442-W458 HydrophobicContact CG2-CH2 3.46Å; V442-W458 VanDerWaalsContact CG2-CH2 3.46Å; V442-W458 HydrophobicContact CG2-CZ3 3.6Å
443	M	92.3	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.5	-171.1	-68.6	168.6	-77.4	0	0	110.5	S431 T432 V434 M448 A473 I480 Y482 W518	S431-M443 WeakPolarHBondContact CA-O 3.36Å; T432-M443 HydrophobicContact CG2-CB 4.11Å; T432-M443 HydrophobicContact CG2-CE 4.27Å; T432-M443 PolarHBondContact N-O 3.07Å; T432-M443 PolarHBondContact O-N 3.09Å; V434-M443 HydrophobicContact CG1-CE 4.24Å; V434-M443 HydrophobicContact CG2-CE 3.69Å; M443-M448 HydrophobicContact CG-CB 4.03Å; M443-M448 HydrophobicContact CG-CE 4.22Å; M443-M448 HydrophobicContact CG-CG 3.68Å; M443-M448 HydrophobicContact CG-SD 4.25Å; M443-M448 HydrophobicContact SD-CE 3.86Å; M443-M448 HydrophobicContact SD-CG 4.49Å; M443-M448 HydrophobicContact SD-SD 4.32Å; M443-A473 HydrophobicContact CE-CB 3.89Å; M443-I480 HydrophobicContact CE-CG2 3.79Å; M443-I480 HydrophobicContact SD-CG2 4Å; M443-Y482 HydrophobicContact CB-CD2 4.26Å; M443-Y482 HydrophobicContact CB-CE2 3.96Å; M443-Y482 HydrophobicContact SD-CD2 3.86Å; M443-Y482 HydrophobicContact SD-CE2 4.49Å; M443-W518 HydrophobicContact SD-CH2 3.85Å; M443-W518 HydrophobicContact SD-CZ2 4.23Å
444	T	86.7	Confident	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155.7	167.8	-167.8	0	0	0	0	109.2	W428 N429 D446 L447 R464	W428-T444 HydrophobicContact CB-CG2 3.8Å; W428-T444 HydrophobicContact CD2-CG2 3.32Å; W428-T444 HydrophobicContact CE3-CG2 3.86Å; W428-T444 HydrophobicContact CG-CG2 3.3Å; W428-T444 HydrophobicContact CZ2-CG2 4.34Å; N429-T444 PolarHBondContact O-OG1 3Å; T444-D446 PolarHBondContact O-N 3.07Å; T444-L447 PolarHBondContact N-O 2.82Å; T444-L447 PolarHBondContact O-N 2.71Å; T444-R464 PolarHBondContact O-NH2 2.82Å
445	H	87.8	Confident	94.5	Very high	53 Å²	53	38.8 Å²	38.8	25%	0.245	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	51.8	-124.3	-177.8	-65	-69.9	0	0	0	111	R464 S467 R468	H445-R464 PolarHBondContact O-NE 2.82Å; H445-R464 PolarHBondContact O-NH2 3.39Å; H445-S467 WeakPolarHBondContact CB-OG 3.34Å; H445-R468 WeakPolarHBondContact CA-O 3.08Å; H445-R468 PolarHBondContact N-O 2.83Å; H445-R468 PolarHBondContact O-N 2.85Å
446	D	89.7	Confident	94.5	Very high	61 Å²	61	39.4 Å²	39.4	33%	0.326	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-4.6	172.8	51.7	-25.5	0	0	0	112.7	T444 M463 R464	T444-D446 PolarHBondContact O-N 3.07Å; D446-M463 CarbonylContact O-C 3.55Å; D446-M463 WeakPolarHBondContact O-CA 3.28Å; D446-R464 PolarHBondContact O-N 3.07Å
447	L	92	Very high	94.6	Very high	37 Å²	37	41 Å²	41	19%	0.194	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	152.2	-175.7	-58.2	177.3	0	0	0	112.5	W428 T444 Y449 M463 R464	W428-L447 HydrophobicContact CZ2-CB 4.34Å; W428-L447 HydrophobicContact CZ2-CD1 4.42Å; T444-L447 PolarHBondContact N-O 2.82Å; T444-L447 PolarHBondContact O-N 2.71Å; L447-Y449 HydrophobicContact CB-CE2 4.37Å; L447-M463 HydrophobicContact CD2-CE 3.67Å; L447-M463 HydrophobicContact CD2-CG 4.15Å; L447-M463 HydrophobicContact CD2-SD 4.11Å; L447-R464 PolarHBondContact O-NH2 2.89Å
448	M	94.3	Very high	94.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	131.6	173	-179	178.4	-158.8	0	0	109.2	Y441 V442 M443 M461 I480 Y511 W518	Y441-M448 HydrophobicContact CD1-CE 3.37Å; Y441-M448 HydrophobicContact CD1-CG 4.47Å; Y441-M448 HydrophobicContact CD1-SD 4.4Å; Y441-M448 HydrophobicContact CE1-CE 4.2Å; Y441-M448 HydrophobicContact CG-CE 3.74Å; V442-M448 WeakPolarHBondContact O-CA 3.47Å; M443-M448 HydrophobicContact CG-CB 4.03Å; M443-M448 HydrophobicContact CG-CE 4.22Å; M443-M448 HydrophobicContact CG-CG 3.68Å; M443-M448 HydrophobicContact CG-SD 4.25Å; M443-M448 HydrophobicContact SD-CE 3.86Å; M443-M448 HydrophobicContact SD-CG 4.49Å; M443-M448 HydrophobicContact SD-SD 4.32Å; M448-M461 HydrophobicContact CB-CB 4.2Å; M448-M461 HydrophobicContact CG-CB 3.97Å; M448-M461 HydrophobicContact CG-CG 4.28Å; M448-M461 PolarHBondContact O-N 3.1Å; M448-M461 HydrophobicContact SD-CB 4.16Å; M448-I480 HydrophobicContact CE-CD1 3.6Å; M448-I480 HydrophobicContact CE-CG2 4.46Å; M448-Y511 HydrophobicContact CE-CD1 3.54Å; M448-Y511 HydrophobicContact CE-CD2 4.46Å; M448-Y511 HydrophobicContact CE-CE1 3.72Å; M448-Y511 HydrophobicContact CE-CG 3.93Å; M448-Y511 HydrophobicContact SD-CD1 4.1Å; M448-Y511 HydrophobicContact SD-CD2 3.95Å; M448-Y511 HydrophobicContact SD-CE1 4.12Å; M448-Y511 HydrophobicContact SD-CE2 3.99Å; M448-Y511 HydrophobicContact SD-CG 3.99Å; M448-W518 HydrophobicContact CE-CZ2 4.33Å; M448-W518 HydrophobicContact SD-CH2 4.37Å; M448-W518 HydrophobicContact SD-CZ2 3.47Å; M448-W518 WeakPolarHBondContact SD-CZ2 3.39Å
449	Y	95.6	Very high	94.9	Very high	19 Å²	19	36.8 Å²	36.8	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.8	174.4	-76.7	-112.7	0	0	0	109.7	P425 W428 Y441 V442 L447 W458 V459 E460	P425-Y449 HydrophobicContact CB-CD1 4.44Å; P425-Y449 HydrophobicContact CB-CE1 3.98Å; P425-Y449 HydrophobicContact CG-CD1 3.64Å; P425-Y449 HydrophobicContact CG-CE1 3.62Å; W428-Y449 AromaticContact CH2-CD2 3.27Å; W428-Y449 HydrophobicContact CH2-CD2 3.27Å; W428-Y449 AromaticContact CH2-CE2 3.98Å; W428-Y449 HydrophobicContact CH2-CE2 3.98Å; W428-Y449 AromaticContact CH2-CG 3.78Å; W428-Y449 HydrophobicContact CH2-CG 3.78Å; W428-Y449 AromaticContact CZ2-CD2 3.55Å; W428-Y449 HydrophobicContact CZ2-CD2 3.55Å; W428-Y449 AromaticContact CZ2-CE2 3.75Å; W428-Y449 HydrophobicContact CZ2-CE2 3.75Å; W428-Y449 HydrophobicContact CZ2-CG 4.36Å; Y441-Y449 CarbonylContact C-O 3.58Å; Y441-Y449 WeakPolarHBondContact CA-O 3.47Å; V442-Y449 PolarHBondContact N-O 2.96Å; V442-Y449 PolarHBondContact O-N 2.76Å; L447-Y449 HydrophobicContact CB-CE2 4.37Å; Y449-W458 HydrophobicContact CD1-CB 4.48Å; Y449-V459 CarbonylContact C-O 3.52Å; Y449-V459 VanDerWaalsContact CA-O 3.32Å; Y449-V459 WeakPolarHBondContact CA-O 3.1Å; Y449-E460 HydrophobicContact CD1-CB 4.14Å; Y449-E460 HydrophobicContact CE1-CB 3.7Å; Y449-E460 HydrophobicContact CE1-CG 4.24Å; Y449-E460 HydrophobicContact CE2-CB 4.34Å; Y449-E460 HydrophobicContact CE2-CG 4Å; Y449-E460 PolarHBondContact OH-OE1 2.95Å
450	C	97.4	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.6	175.7	-176	0	0	0	0	109.2	C439 I440 Y441 F452 W458 V459 M461	C439-C450 VanDerWaalsContact CB-SG 3.54Å; I440-C450 CarbonylContact O-C 3.54Å; I440-C450 WeakPolarHBondContact O-CA 3.27Å; Y441-C450 HydrophobicContact CD1-CB 3.75Å; Y441-C450 HydrophobicContact CE1-CB 3.57Å; Y441-C450 VanDerWaalsContact CE1-SG 3.53Å; Y441-C450 VanDerWaalsContact CZ-SG 3.56Å; C450-F452 HydrophobicContact CB-CE2 4.2Å; C450-W458 CarbonylContact O-C 3.53Å; C450-W458 WeakPolarHBondContact O-CA 3.4Å; C450-V459 PolarHBondContact N-O 3.48Å; C450-V459 PolarHBondContact O-N 2.64Å; C450-M461 HydrophobicContact CB-CG 3.64Å; C450-M461 HydrophobicContact CB-SD 3.49Å; C450-M461 WeakPolarHBondContact CB-SD 3.49Å
451	Y	97.9	Very high	94.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129	171.2	174.6	-100.8	0	0	0	109.8	Y392 M421 I440 P453 D456 A457 W458	Y392-Y451 HydrophobicContact CD1-CE1 4.33Å; Y392-Y451 AromaticContact CE1-CE1 3.73Å; Y392-Y451 HydrophobicContact CE1-CE1 3.73Å; M421-Y451 VanDerWaalsContact CE-OH 3.23Å; M421-Y451 WeakPolarHBondContact CE-OH 3.25Å; I440-Y451 HydrophobicContact CB-CD1 4.41Å; I440-Y451 HydrophobicContact CD1-CD1 3.86Å; I440-Y451 HydrophobicContact CD1-CE1 4.36Å; I440-Y451 HydrophobicContact CG1-CD1 4.31Å; I440-Y451 PolarHBondContact N-O 3.08Å; I440-Y451 PolarHBondContact O-N 2.85Å; Y451-P453 HydrophobicContact CD1-CG 4.17Å; Y451-P453 HydrophobicContact CE1-CB 4.21Å; Y451-P453 HydrophobicContact CE1-CG 4.1Å; Y451-P453 WeakPolarHBondContact O-CD 3.21Å; Y451-D456 WeakPolarHBondContact CE2-OD1 3.45Å; Y451-D456 PolarHBondContact OH-OD1 3.23Å; Y451-A457 WeakPolarHBondContact CA-O 3.44Å; Y451-W458 VanDerWaalsContact CB-CH2 3.46Å; Y451-W458 VanDerWaalsContact CB-CZ3 3.47Å; Y451-W458 AromaticContact CD2-CD1 3.9Å; Y451-W458 AromaticContact CD2-CD2 3.94Å; Y451-W458 HydrophobicContact CD2-CD2 3.94Å; Y451-W458 AromaticContact CD2-CE2 3.5Å; Y451-W458 VanDerWaalsContact CD2-CE2 3.5Å; Y451-W458 HydrophobicContact CD2-CG 4.16Å; Y451-W458 AromaticContact CD2-CZ2 3.82Å; Y451-W458 HydrophobicContact CD2-CZ2 3.82Å; Y451-W458 AromaticContact CD2-NE1 3.48Å; Y451-W458 HydrophobicContact CG-CD2 4.3Å; Y451-W458 AromaticContact CG-CE2 3.94Å; Y451-W458 HydrophobicContact CG-CH2 4.17Å; Y451-W458 AromaticContact CG-CZ2 3.85Å; Y451-W458 HydrophobicContact CG-CZ2 3.85Å
452	F	97.2	Very high	94.8	Very high	78 Å²	78	42.4 Å²	42.4	34%	0.342	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	102.6	177.4	-68.3	-88.7	0	0	0	109.3	C439 C450 R454 A455 D456 A457 V459	C439-F452 WeakPolarHBondContact SG-CD1 3.43Å; C450-F452 HydrophobicContact CB-CE2 4.2Å; F452-R454 PolarHBondContact O-N 3.01Å; F452-R454 VanDerWaalsContact O-N 3.12Å; F452-A455 HydrophobicContact CB-CB 4.14Å; F452-A455 PolarHBondContact O-N 2.87Å; F452-D456 PolarHBondContact O-N 3.5Å; F452-A457 PolarHBondContact N-O 3.46Å; F452-V459 HydrophobicContact CD2-CG2 3.95Å; F452-V459 HydrophobicContact CE2-CB 3.96Å; F452-V459 HydrophobicContact CE2-CG2 3.63Å
453	P	96.3	Very high	94.6	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.091	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.7	-173.9	-31.1	38.5	0	0	0	114.9	D388 D438 Y451 D456	D388-P453 HydrophobicContact CB-CB 4.4Å; D438-P453 WeakPolarHBondContact O-CD 3.45Å; Y451-P453 HydrophobicContact CD1-CG 4.17Å; Y451-P453 HydrophobicContact CE1-CB 4.21Å; Y451-P453 HydrophobicContact CE1-CG 4.1Å; Y451-P453 WeakPolarHBondContact O-CD 3.21Å; P453-D456 PolarHBondContact O-N 3.32Å
454	R	94.9	Very high	94.6	Very high	212 Å²	212	47.6 Å²	47.6	80%	0.8	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.7	-178	-63.2	-174.9	178.3	-157.5	1	113.7	D388 F452	D388-R454 IonicContact OD1-NH2 3.47Å; D388-R454 IonicContact OD2-NE 3.38Å; D388-R454 PolarHBondContact OD2-NE 2.95Å; F452-R454 PolarHBondContact O-N 3.01Å; F452-R454 VanDerWaalsContact O-N 3.12Å
455	A	96.4	Very high	94.4	Very high	70 Å²	70	57.1 Å²	57.1	58%	0.579	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.2	179	0	0	0	0	0	112.6	F452 A457	F452-A455 HydrophobicContact CB-CB 4.14Å; F452-A455 PolarHBondContact O-N 2.87Å; A455-A457 HydrophobicContact CB-CB 4.13Å; A455-A457 PolarHBondContact O-N 3.14Å
456	D	97.2	Very high	94.3	Very high	55 Å²	55	56.1 Å²	56.1	29%	0.294	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	48	-170.4	-173.3	36.9	0	0	0	111.7	M421 S422 Y451 F452 P453	M421-D456 HydrophobicContact CE-CB 4.28Å; M421-D456 WeakPolarHBondContact CE-OD1 3.47Å; S422-D456 VanDerWaalsContact CB-O 3.26Å; S422-D456 WeakPolarHBondContact CB-O 3.49Å; S422-D456 WeakPolarHBondContact CB-OD1 3.13Å; S422-D456 PolarHBondContact N-OD1 2.92Å; S422-D456 PolarHBondContact N-OD2 2.96Å; S422-D456 PolarHBondContact OG-O 2.89Å; S422-D456 PolarHBondContact OG-OD1 3.31Å; S422-D456 PolarHBondContact OG-OD2 2.83Å; Y451-D456 WeakPolarHBondContact CE2-OD1 3.45Å; Y451-D456 PolarHBondContact OH-OD1 3.23Å; F452-D456 PolarHBondContact O-N 3.5Å; P453-D456 PolarHBondContact O-N 3.32Å
457	A	97.1	Very high	94.2	Very high	40 Å²	40	54.4 Å²	54.4	33%	0.331	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.3	-171.7	0	0	0	0	0	112.4	Y451 F452 A455	Y451-A457 WeakPolarHBondContact CA-O 3.44Å; F452-A457 PolarHBondContact N-O 3.46Å; A455-A457 HydrophobicContact CB-CB 4.13Å; A455-A457 PolarHBondContact O-N 3.14Å
458	W	97.3	Very high	94	Very high	38 Å²	38	52.7 Å²	52.7	14%	0.144	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.5	175.5	-68.5	92	0	0	0	110.8	V408 S422 P423 L424 P425 V442 Y449 C450 Y451	V408-W458 HydrophobicContact CG2-CZ2 3.81Å; S422-W458 PolarHBondContact O-NE1 2.98Å; P423-W458 VanDerWaalsContact O-CD1 3.26Å; P423-W458 PolarHBondContact O-NE1 2.87Å; L424-W458 HydrophobicContact CD2-CD2 4.37Å; L424-W458 HydrophobicContact CD2-CE3 4.24Å; L424-W458 HydrophobicContact CD2-CH2 3.44Å; L424-W458 VanDerWaalsContact CD2-CH2 3.44Å; L424-W458 HydrophobicContact CD2-CZ2 3.58Å; L424-W458 HydrophobicContact CD2-CZ3 3.77Å; L424-W458 HydrophobicContact CG-CZ2 4.27Å; P425-W458 HydrophobicContact CG-CB 3.79Å; P425-W458 HydrophobicContact CG-CG 4.13Å; V442-W458 HydrophobicContact CB-CH2 4.34Å; V442-W458 HydrophobicContact CB-CZ3 4.08Å; V442-W458 HydrophobicContact CG2-CH2 3.46Å; V442-W458 VanDerWaalsContact CG2-CH2 3.46Å; V442-W458 HydrophobicContact CG2-CZ3 3.6Å; Y449-W458 HydrophobicContact CD1-CB 4.48Å; C450-W458 CarbonylContact O-C 3.53Å; C450-W458 WeakPolarHBondContact O-CA 3.4Å; Y451-W458 VanDerWaalsContact CB-CH2 3.46Å; Y451-W458 VanDerWaalsContact CB-CZ3 3.47Å; Y451-W458 AromaticContact CD2-CD1 3.9Å; Y451-W458 AromaticContact CD2-CD2 3.94Å; Y451-W458 HydrophobicContact CD2-CD2 3.94Å; Y451-W458 AromaticContact CD2-CE2 3.5Å; Y451-W458 VanDerWaalsContact CD2-CE2 3.5Å; Y451-W458 HydrophobicContact CD2-CG 4.16Å; Y451-W458 AromaticContact CD2-CZ2 3.82Å; Y451-W458 HydrophobicContact CD2-CZ2 3.82Å; Y451-W458 AromaticContact CD2-NE1 3.48Å; Y451-W458 HydrophobicContact CG-CD2 4.3Å; Y451-W458 AromaticContact CG-CE2 3.94Å; Y451-W458 HydrophobicContact CG-CH2 4.17Å; Y451-W458 AromaticContact CG-CZ2 3.85Å; Y451-W458 HydrophobicContact CG-CZ2 3.85Å
459	V	96.8	Very high	93.6	Very high	68 Å²	68	52.8 Å²	52.8	41%	0.412	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.4	174.5	-177.9	0	0	0	0	108.8	Y449 C450 F452 M461	Y449-V459 CarbonylContact C-O 3.52Å; Y449-V459 VanDerWaalsContact CA-O 3.32Å; Y449-V459 WeakPolarHBondContact CA-O 3.1Å; C450-V459 PolarHBondContact N-O 3.48Å; C450-V459 PolarHBondContact O-N 2.64Å; F452-V459 HydrophobicContact CD2-CG2 3.95Å; F452-V459 HydrophobicContact CE2-CB 3.96Å; F452-V459 HydrophobicContact CE2-CG2 3.63Å; V459-M461 HydrophobicContact CB-SD 4.49Å; V459-M461 HydrophobicContact CG1-SD 4.28Å
460	E	96.4	Very high	92.9	Very high	92 Å²	92	57.1 Å²	57.1	43%	0.43	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.9	173.6	-175.6	165.5	-145.2	0	0	110.2	Y449 M463	Y449-E460 HydrophobicContact CD1-CB 4.14Å; Y449-E460 HydrophobicContact CE1-CB 3.7Å; Y449-E460 HydrophobicContact CE1-CG 4.24Å; Y449-E460 HydrophobicContact CE2-CB 4.34Å; Y449-E460 HydrophobicContact CE2-CG 4Å; Y449-E460 PolarHBondContact OH-OE1 2.95Å; E460-M463 WeakPolarHBondContact OE1-CE 3.46Å
461	M	96.7	Very high	92.5	Very high	26 Å²	26	57.6 Å²	57.6	13%	0.128	29%	0.292	C	S	.	.			trans	-103.9	175.3	179.2	-52.4	-50.8	-66.1	0	0	110.4	Y441 M448 C450 V459 M463 Y511 N516	Y441-M461 HydrophobicContact CD1-CG 4.34Å; Y441-M461 HydrophobicContact CE1-CE 4.43Å; Y441-M461 HydrophobicContact CE1-CG 4.24Å; M448-M461 HydrophobicContact CB-CB 4.2Å; M448-M461 HydrophobicContact CG-CB 3.97Å; M448-M461 HydrophobicContact CG-CG 4.28Å; M448-M461 PolarHBondContact O-N 3.1Å; M448-M461 HydrophobicContact SD-CB 4.16Å; C450-M461 HydrophobicContact CB-CG 3.64Å; C450-M461 HydrophobicContact CB-SD 3.49Å; C450-M461 WeakPolarHBondContact CB-SD 3.49Å; V459-M461 HydrophobicContact CB-SD 4.49Å; V459-M461 HydrophobicContact CG1-SD 4.28Å; M461-M463 PolarHBondContact O-N 2.96Å; M461-Y511 WeakPolarHBondContact CE-OH 3.33Å; M461-N516 HydrophobicContact CE-CB 4.39Å
462	A	95.5	Very high	92.2	Very high	27 Å²	27	58.4 Å²	58.4	22%	0.223	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56.1	135.5	178.1	0	0	0	0	0	111.6	Y511 N516 W518	A462-Y511 HydrophobicContact CB-CE2 4.36Å; A462-N516 WeakPolarHBondContact CB-O 3.16Å; A462-N516 VanDerWaalsContact CB-OD1 3.31Å; A462-N516 WeakPolarHBondContact CB-OD1 3.48Å; A462-N516 PolarHBondContact N-OD1 3.35Å; A462-W518 PolarHBondContact O-NE1 2.91Å
463	M	91.9	Very high	92	Very high	101 Å²	101	55.4 Å²	55.4	50%	0.498	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-78.4	148.1	-179.5	-62.2	176.8	-179.8	0	0	111.2	D446 L447 E460 M461	D446-M463 CarbonylContact O-C 3.55Å; D446-M463 WeakPolarHBondContact O-CA 3.28Å; L447-M463 HydrophobicContact CD2-CE 3.67Å; L447-M463 HydrophobicContact CD2-CG 4.15Å; L447-M463 HydrophobicContact CD2-SD 4.11Å; E460-M463 WeakPolarHBondContact OE1-CE 3.46Å; M461-M463 PolarHBondContact O-N 2.96Å
464	R	91.3	Very high	92	Very high	8 Å²	8	55.2 Å²	55.2	3%	0.03	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-75.4	156	170.1	-72.6	-177.3	-67.5	-83.4	-7.9	110.5	T444 H445 D446 L447 T466 E509 W518	T444-R464 PolarHBondContact O-NH2 2.82Å; H445-R464 PolarHBondContact O-NE 2.82Å; H445-R464 PolarHBondContact O-NH2 3.39Å; D446-R464 PolarHBondContact O-N 3.07Å; L447-R464 PolarHBondContact O-NH2 2.89Å; R464-T466 VanDerWaalsContact C-N 3.32Å; R464-E509 WeakPolarHBondContact CD-OE2 3.48Å; R464-W518 HydrophobicContact CG-CD2 3.53Å; R464-W518 HydrophobicContact CG-CE3 3.88Å; R464-W518 HydrophobicContact CG-CG 4.08Å; R464-W518 HydrophobicContact CG-CH2 3.87Å; R464-W518 HydrophobicContact CG-CZ2 3.5Å; R464-W518 VanDerWaalsContact CG-CZ2 3.5Å; R464-W518 HydrophobicContact CG-CZ3 4.04Å
465	K	83.4	Confident	92	Very high	200 Å²	200	46.4 Å²	46.4	87%	0.87	26%	0.259	S	S	*	.	S	Bend	trans	-75.2	-27.1	172.1	-70.3	-175.5	-179.6	177.7	0	112.2
466	T	85.1	Confident	92	Very high	32 Å²	32	45.7 Å²	45.7	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	-105.6	134.8	-179.7	74.5	0	0	0	0	110.9	R464 R468 E509	R464-T466 VanDerWaalsContact C-N 3.32Å; T466-R468 PolarHBondContact OG1-NE 3.22Å; T466-E509 PolarHBondContact OG1-OE2 2.77Å
467	S	88.1	Confident	91.8	Very high	25 Å²	25	46 Å²	46	18%	0.175	26%	0.259	C	S	.	.			trans	-91.4	111.4	172.1	-168.7	0	0	0	0	109.6	H445 V488	H445-S467 WeakPolarHBondContact CB-OG 3.34Å; S467-V488 PolarHBondContact O-N 3.45Å
468	R	88	Confident	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150	-175.9	-66.8	-172.2	-73.5	168.7	-5.8	113.2	H445 T466 Y482 G484 L486 S505 T507 E509	H445-R468 WeakPolarHBondContact CA-O 3.08Å; H445-R468 PolarHBondContact N-O 2.83Å; H445-R468 PolarHBondContact O-N 2.85Å; T466-R468 PolarHBondContact OG1-NE 3.22Å; R468-Y482 HydrophobicContact CB-CE1 3.99Å; R468-Y482 PolarHBondContact O-OH 3.02Å; R468-G484 WeakPolarHBondContact CD-O 3.46Å; R468-G484 PolarHBondContact NH1-O 3.05Å; R468-L486 CarbonylContact C-O 3.46Å; R468-L486 WeakPolarHBondContact CA-O 3.45Å; R468-S505 PolarHBondContact NH1-OG 3.29Å; R468-T507 PolarHBondContact NH1-O 2.96Å; R468-E509 IonicContact CZ-OE2 3.06Å; R468-E509 IonicContact NE-OE2 2.84Å; R468-E509 IonicContact NH2-OE2 3.31Å; R468-E509 PolarHBondContact NH2-OE2 3.19Å
469	C	84.6	Confident	91.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	172.2	169.9	61.7	0	0	0	0	111	W430 A471 G485 L486 V488	W430-C469 HydrophobicContact CB-CB 4.28Å; W430-C469 HydrophobicContact CE3-CB 4.41Å; C469-A471 PolarHBondContact O-N 2.73Å; C469-G485 CarbonylContact O-C 3.59Å; C469-G485 VanDerWaalsContact O-CA 3.28Å; C469-G485 WeakPolarHBondContact O-CA 3.25Å; C469-L486 PolarHBondContact N-O 2.83Å; C469-L486 PolarHBondContact O-N 3.02Å; C469-V488 HydrophobicContact CB-CG2 4.14Å; C469-V488 WeakPolarHBondContact SG-CG2 3.28Å
470	F	82.1	Confident	91.7	Very high	111 Å²	111	44 Å²	44	49%	0.487	24%	0.244	S	C	.	.	S	Bend	trans	58.4	10.7	-177.6	-53.9	-76.1	0	0	0	115.7	W430 L486	W430-F470 HydrophobicContact CB-CD1 4Å; W430-F470 HydrophobicContact CB-CE1 3.89Å; W430-F470 HydrophobicContact CB-CG 4.45Å; W430-F470 HydrophobicContact CB-CZ 4.22Å; W430-F470 AromaticContact CD1-CD1 3.99Å; W430-F470 AromaticContact CD1-CE1 3.13Å; W430-F470 AromaticContact CD1-CZ 3.51Å; W430-F470 AromaticContact CD2-CE1 3.85Å; W430-F470 HydrophobicContact CD2-CE1 3.85Å; W430-F470 AromaticContact CD2-CE2 3.99Å; W430-F470 HydrophobicContact CD2-CE2 3.99Å; W430-F470 AromaticContact CD2-CZ 3.4Å; W430-F470 HydrophobicContact CD2-CZ 3.4Å; W430-F470 VanDerWaalsContact CD2-CZ 3.4Å; W430-F470 AromaticContact CE2-CE1 3.93Å; W430-F470 AromaticContact CE2-CZ 3.43Å; W430-F470 VanDerWaalsContact CE2-CZ 3.43Å; W430-F470 HydrophobicContact CE3-CE2 4.28Å; W430-F470 HydrophobicContact CE3-CZ 4.12Å; W430-F470 AromaticContact CG-CD1 3.94Å; W430-F470 HydrophobicContact CG-CD1 3.94Å; W430-F470 AromaticContact CG-CE1 3.31Å; W430-F470 HydrophobicContact CG-CE1 3.31Å; W430-F470 HydrophobicContact CG-CE2 4.15Å; W430-F470 AromaticContact CG-CZ 3.42Å; W430-F470 HydrophobicContact CG-CZ 3.42Å; W430-F470 VanDerWaalsContact CG-CZ 3.42Å; W430-F470 HydrophobicContact CZ2-CZ 4.13Å; W430-F470 AromaticContact NE1-CE1 3.49Å; W430-F470 AromaticContact NE1-CZ 3.48Å; F470-L486 HydrophobicContact CD2-CB 4.24Å
471	A	88	Confident	91.7	Very high	10 Å²	10	39.7 Å²	39.7	8%	0.083	22%	0.223	C	C	.	.			trans	-68.7	154.9	177.1	0	0	0	0	0	111.1	C469 Y482	C469-A471 PolarHBondContact O-N 2.73Å; A471-Y482 HydrophobicContact CB-CD1 3.89Å; A471-Y482 HydrophobicContact CB-CD2 4.34Å; A471-Y482 HydrophobicContact CB-CE1 3.23Å; A471-Y482 HydrophobicContact CB-CE2 3.77Å; A471-Y482 HydrophobicContact CB-CG 4.41Å; A471-Y482 VanDerWaalsContact CB-OH 3.3Å; A471-Y482 WeakPolarHBondContact CB-OH 3.45Å
472	S	91.4	Very high	91.6	Very high	16 Å²	16	38.5 Å²	38.5	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	146.9	168.6	-165.7	0	0	0	0	109.6	I483 A536	S472-I483 PolarHBondContact N-O 3.02Å; S472-I483 PolarHBondContact O-N 2.89Å; S472-A536 WeakPolarHBondContact OG-CB 3.37Å; S472-A536 PolarHBondContact OG-N 2.76Å
473	A	94	Very high	91.5	Very high	15 Å²	15	37.2 Å²	37.2	12%	0.124	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.7	176.3	0	0	0	0	0	111.1	T432 V434 M443 F481 Y482	T432-A473 HydrophobicContact CG2-CB 3.75Å; V434-A473 HydrophobicContact CG1-CB 3.64Å; M443-A473 HydrophobicContact CE-CB 3.89Å; A473-F481 WeakPolarHBondContact CA-O 3.41Å; A473-F481 WeakPolarHBondContact CB-O 3.24Å; A473-Y482 HydrophobicContact CB-CD2 4.38Å
474	A	95.6	Very high	91.4	Very high	10 Å²	10	32.4 Å²	32.4	8%	0.083	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.7	174.4	0	0	0	0	0	109.7	F481 A536 L543	A474-F481 PolarHBondContact N-O 2.79Å; A474-F481 VanDerWaalsContact N-O 3.07Å; A474-F481 PolarHBondContact O-N 2.95Å; A474-A536 HydrophobicContact CB-CB 3.78Å; A474-L543 HydrophobicContact CB-CD1 3.83Å
475	A	95.8	Very high	91.2	Very high	28 Å²	28	32.7 Å²	32.7	23%	0.231	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.6	168.5	0	0	0	0	0	109.3	V434 V435 A436 L479 I480	V434-A475 HydrophobicContact CB-CB 4.38Å; V435-A475 WeakPolarHBondContact O-CB 3.45Å; A436-A475 HydrophobicContact CB-CB 4.4Å; A475-L479 WeakPolarHBondContact CA-O 3.44Å; A475-I480 HydrophobicContact CB-CG1 4.34Å
476	F	95.5	Very high	91.1	Very high	54 Å²	54	25.8 Å²	25.8	24%	0.237	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	114.4	176.1	-176	-105.6	0	0	0	109.8	D478 L479 F481 V538 N541 L543 T565	F476-D478 PolarHBondContact O-N 2.88Å; F476-L479 PolarHBondContact N-O 2.97Å; F476-L479 PolarHBondContact O-N 3.01Å; F476-F481 HydrophobicContact CB-CD2 4.4Å; F476-F481 HydrophobicContact CB-CE2 4.05Å; F476-V538 HydrophobicContact CD2-CG1 4.2Å; F476-V538 HydrophobicContact CD2-CG2 4.21Å; F476-V538 HydrophobicContact CE2-CG1 4.43Å; F476-N541 WeakPolarHBondContact CE2-O 3.38Å; F476-L543 HydrophobicContact CB-CB 4.33Å; F476-L543 HydrophobicContact CD1-CB 4.26Å; F476-L543 HydrophobicContact CG-CB 4.12Å; F476-T565 HydrophobicContact CD1-CG2 4.49Å; F476-T565 HydrophobicContact CE1-CG2 4.49Å
477	G	92.6	Very high	91	Very high	61 Å²	61	26 Å²	26	63%	0.629	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-132	-167.4	0	0	0	0	0	111.2	L479	G477-L479 VanDerWaalsContact C-N 3.26Å; G477-L479 PolarHBondContact O-N 2.81Å
478	D	95.1	Very high	90.5	Very high	78 Å²	78	27.2 Å²	27.2	42%	0.417	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	14.1	179.2	-60.4	-23.4	0	0	0	113.3	H437 F476 V513 N514	H437-D478 IonicContact CD2-OD1 3.41Å; H437-D478 IonicContact CE1-OD1 2.67Å; H437-D478 IonicContact NE2-OD1 3.97Å; H437-D478 PolarHBondContact NE2-OD1 3.2Å; F476-D478 PolarHBondContact O-N 2.88Å; D478-V513 WeakPolarHBondContact O-CB 3.28Å; D478-V513 WeakPolarHBondContact O-CG2 3.13Å; D478-V513 PolarHBondContact O-N 3.15Å; D478-V513 VanDerWaalsContact O-N 3.09Å; D478-N514 PolarHBondContact OD2-ND2 2.97Å
479	L	96.8	Very high	89.5	Confident	28 Å²	28	31.3 Å²	31.3	15%	0.147	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.5	-172.3	-58.2	179.2	0	0	0	111	A475 F476 G477 F481 I510 Y511 D512	A475-L479 WeakPolarHBondContact CA-O 3.44Å; F476-L479 PolarHBondContact N-O 2.97Å; F476-L479 PolarHBondContact O-N 3.01Å; G477-L479 VanDerWaalsContact C-N 3.26Å; G477-L479 PolarHBondContact O-N 2.81Å; L479-F481 HydrophobicContact CB-CD2 4.32Å; L479-F481 HydrophobicContact CB-CE2 3.63Å; L479-F481 HydrophobicContact CB-CZ 4.21Å; L479-F481 HydrophobicContact CD1-CE2 4.32Å; L479-F481 HydrophobicContact CD1-CZ 4.11Å; L479-I510 HydrophobicContact CB-CG2 3.92Å; L479-I510 HydrophobicContact CD1-CG2 4.1Å; L479-I510 HydrophobicContact CD2-CG2 4Å; L479-I510 HydrophobicContact CG-CG2 4.22Å; L479-Y511 WeakPolarHBondContact CA-O 3.42Å; L479-D512 HydrophobicContact CD2-CB 4.12Å
480	I	97.6	Very high	88	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.1	170.5	-66.3	169.4	0	0	0	108.5	V434 A436 Y441 M443 M448 A475 I510 Y511 V513	V434-I480 HydrophobicContact CG2-CB 4.42Å; V434-I480 HydrophobicContact CG2-CD1 3.68Å; V434-I480 HydrophobicContact CG2-CG1 3.85Å; V434-I480 HydrophobicContact CG2-CG2 3.74Å; A436-I480 HydrophobicContact CB-CD1 4.21Å; A436-I480 HydrophobicContact CB-CG1 4.33Å; Y441-I480 HydrophobicContact CD1-CD1 4.16Å; Y441-I480 HydrophobicContact CD2-CD1 3.57Å; Y441-I480 HydrophobicContact CE2-CD1 4.1Å; Y441-I480 HydrophobicContact CG-CD1 3.6Å; M443-I480 HydrophobicContact CE-CG2 3.79Å; M443-I480 HydrophobicContact SD-CG2 4Å; M448-I480 HydrophobicContact CE-CD1 3.6Å; M448-I480 HydrophobicContact CE-CG2 4.46Å; A475-I480 HydrophobicContact CB-CG1 4.34Å; I480-I510 CarbonylContact O-C 3.57Å; I480-I510 WeakPolarHBondContact O-CA 3.27Å; I480-Y511 HydrophobicContact CB-CD1 4.33Å; I480-Y511 HydrophobicContact CD1-CD1 4.03Å; I480-Y511 HydrophobicContact CD1-CE1 4.5Å; I480-Y511 PolarHBondContact N-O 2.87Å; I480-Y511 PolarHBondContact O-N 3.07Å; I480-V513 HydrophobicContact CD1-CG2 3.93Å; I480-V513 HydrophobicContact CG1-CG2 4.08Å
481	F	96.6	Very high	86.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.2	179.1	-66.8	-102.7	0	0	0	109.3	A473 A474 F476 L479 I483 V508 I510 L543 Y563 T565	A473-F481 WeakPolarHBondContact CA-O 3.41Å; A473-F481 WeakPolarHBondContact CB-O 3.24Å; A474-F481 PolarHBondContact N-O 2.79Å; A474-F481 VanDerWaalsContact N-O 3.07Å; A474-F481 PolarHBondContact O-N 2.95Å; F476-F481 HydrophobicContact CB-CD2 4.4Å; F476-F481 HydrophobicContact CB-CE2 4.05Å; L479-F481 HydrophobicContact CB-CD2 4.32Å; L479-F481 HydrophobicContact CB-CE2 3.63Å; L479-F481 HydrophobicContact CB-CZ 4.21Å; L479-F481 HydrophobicContact CD1-CE2 4.32Å; L479-F481 HydrophobicContact CD1-CZ 4.11Å; F481-I483 HydrophobicContact CB-CD1 4.24Å; F481-I483 HydrophobicContact CB-CG1 4.22Å; F481-V508 HydrophobicContact CD1-CG1 4.26Å; F481-I510 HydrophobicContact CD1-CD1 3.89Å; F481-I510 HydrophobicContact CD1-CG1 3.66Å; F481-I510 HydrophobicContact CE1-CD1 3.32Å; F481-I510 HydrophobicContact CE1-CG1 3.64Å; F481-I510 HydrophobicContact CE1-CG2 4.46Å; F481-I510 HydrophobicContact CG-CG1 4.46Å; F481-I510 HydrophobicContact CZ-CD1 4Å; F481-I510 HydrophobicContact CZ-CG1 4.41Å; F481-I510 HydrophobicContact CZ-CG2 4.45Å; F481-L543 HydrophobicContact CB-CD2 4.2Å; F481-L543 HydrophobicContact CD1-CD2 3.3Å; F481-L543 HydrophobicContact CD2-CD1 4.47Å; F481-L543 HydrophobicContact CD2-CD2 3.58Å; F481-L543 HydrophobicContact CE1-CD2 3.38Å; F481-L543 HydrophobicContact CE2-CD2 3.67Å; F481-L543 HydrophobicContact CG-CD2 3.41Å; F481-L543 VanDerWaalsContact CG-CD2 3.41Å; F481-L543 HydrophobicContact CZ-CD2 3.58Å; F481-Y563 AromaticContact CE1-CD1 3.76Å; F481-Y563 HydrophobicContact CE1-CD1 3.76Å; F481-Y563 AromaticContact CE1-CE1 3.52Å; F481-Y563 HydrophobicContact CE1-CE1 3.52Å; F481-Y563 HydrophobicContact CZ-CD1 4.19Å; F481-Y563 HydrophobicContact CZ-CE1 4.05Å; F481-T565 HydrophobicContact CZ-CG2 4.25Å
482	Y	95	Very high	84.1	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109.9	176	-169.1	-86.2	0	0	0	109	T432 M443 R468 A471 A473 E509	T432-Y482 HydrophobicContact CG2-CD2 4.21Å; T432-Y482 HydrophobicContact CG2-CE2 3.77Å; M443-Y482 HydrophobicContact CB-CD2 4.26Å; M443-Y482 HydrophobicContact CB-CE2 3.96Å; M443-Y482 HydrophobicContact SD-CD2 3.86Å; M443-Y482 HydrophobicContact SD-CE2 4.49Å; R468-Y482 HydrophobicContact CB-CE1 3.99Å; R468-Y482 PolarHBondContact O-OH 3.02Å; A471-Y482 HydrophobicContact CB-CD1 3.89Å; A471-Y482 HydrophobicContact CB-CD2 4.34Å; A471-Y482 HydrophobicContact CB-CE1 3.23Å; A471-Y482 HydrophobicContact CB-CE2 3.77Å; A471-Y482 HydrophobicContact CB-CG 4.41Å; A471-Y482 VanDerWaalsContact CB-OH 3.3Å; A471-Y482 WeakPolarHBondContact CB-OH 3.45Å; A473-Y482 HydrophobicContact CB-CD2 4.38Å; Y482-E509 PolarHBondContact N-O 2.85Å; Y482-E509 PolarHBondContact O-N 2.93Å
483	I	93.1	Very high	81.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.1	-161.8	-56.6	-171.9	0	0	0	110.4	S472 F481 V508 I524 V534 A536 I545 W570	S472-I483 PolarHBondContact N-O 3.02Å; S472-I483 PolarHBondContact O-N 2.89Å; F481-I483 HydrophobicContact CB-CD1 4.24Å; F481-I483 HydrophobicContact CB-CG1 4.22Å; I483-V508 HydrophobicContact CG1-CG1 4.16Å; I483-V508 HydrophobicContact CG1-CG2 4.26Å; I483-V508 HydrophobicContact CG2-CG2 4.24Å; I483-I524 HydrophobicContact CG2-CG2 3.5Å; I483-V534 HydrophobicContact CG2-CG1 4.35Å; I483-V534 HydrophobicContact CG2-CG2 4.21Å; I483-A536 HydrophobicContact CD1-CB 3.84Å; I483-A536 HydrophobicContact CG1-CB 4.45Å; I483-I545 HydrophobicContact CD1-CG2 3.76Å; I483-I545 HydrophobicContact CG2-CG2 4.4Å; I483-W570 HydrophobicContact CD1-CH2 3.87Å; I483-W570 HydrophobicContact CD1-CZ2 4.02Å
484	G	89.4	Confident	79.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	31%	0.31	C	S	.	.			trans	65.5	-137.4	171.8	0	0	0	0	0	114.7	R468 S505 T507	R468-G484 WeakPolarHBondContact CD-O 3.46Å; R468-G484 PolarHBondContact NH1-O 3.05Å; G484-S505 WeakPolarHBondContact CA-O 3.28Å; G484-T507 PolarHBondContact N-O 3.03Å
485	G	86.7	Confident	77.3	Confident	13 Å²	13	58.5 Å²	58.5	13%	0.134	35%	0.346	C	S	.	.			trans	87.2	-171.4	-175.5	0	0	0	0	0	113.8	C469 S505	C469-G485 CarbonylContact O-C 3.59Å; C469-G485 VanDerWaalsContact O-CA 3.28Å; C469-G485 WeakPolarHBondContact O-CA 3.25Å; G485-S505 WeakPolarHBondContact O-CB 3.43Å; G485-S505 PolarHBondContact O-N 2.78Å
486	L	82.8	Confident	75	Confident	56 Å²	56	61 Å²	61	29%	0.293	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.9	-174.5	-169.1	77.8	0	0	0	110.4	R468 C469 F470 V488 D502 G503	R468-L486 CarbonylContact C-O 3.46Å; R468-L486 WeakPolarHBondContact CA-O 3.45Å; C469-L486 PolarHBondContact N-O 2.83Å; C469-L486 PolarHBondContact O-N 3.02Å; F470-L486 HydrophobicContact CD2-CB 4.24Å; L486-V488 PolarHBondContact O-N 3.35Å; L486-D502 WeakPolarHBondContact CD1-O 3.38Å; L486-G503 VanDerWaalsContact CD1-C 3.47Å
487	H	83.3	Confident	72.7	Confident	37 Å²	37	61.2 Å²	61.2	17%	0.171	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.2	172.9	-74.7	-76.2	0	0	0	110.9	G503 S505	H487-G503 PolarHBondContact N-O 2.77Å; H487-S505 WeakPolarHBondContact NE2-CB 3.19Å; H487-S505 PolarHBondContact NE2-OG 2.72Å
488	V	76.5	Confident	70.5	Confident	49 Å²	49	65.3 Å²	65.3	30%	0.297	37%	0.374	S	S	.	.			trans	-103.5	121.9	174.8	-173.4	0	0	0	0	108.4	S467 C469 L486 S490	S467-V488 PolarHBondContact O-N 3.45Å; C469-V488 HydrophobicContact CB-CG2 4.14Å; C469-V488 WeakPolarHBondContact SG-CG2 3.28Å; L486-V488 PolarHBondContact O-N 3.35Å; V488-S490 PolarHBondContact O-N 3.01Å
489	V	66.9	Low	68.2	Low	87 Å²	87	64.5 Å²	64.5	53%	0.527	37%	0.374	S	S	.	.			trans	-73.9	110.4	174.9	-172.9	0	0	0	0	108	M496	V489-M496 HydrophobicContact CG2-CG 4.45Å; V489-M496 HydrophobicContact CG2-SD 3.69Å
490	S	52.8	Low	66	Low	55 Å²	55	64.1 Å²	64.1	39%	0.385	37%	0.373	S	S	.	.			trans	-71.4	149.3	163.3	61.4	0	0	0	0	108.6	V488 S492	V488-S490 PolarHBondContact O-N 3.01Å; S490-S492 PolarHBondContact O-N 3.05Å; S490-S492 PolarHBondContact OG-OG 3.29Å
491	N	43.8	Very low	63.9	Low	181 Å²	181	72.6 Å²	72.6	97%	0.968	42%	0.416	S	S	*	.	S	Bend	trans	-55.1	-1.4	178.7	-86	-7.8	0	0	0	115	G493	N491-G493 PolarHBondContact O-N 2.64Å
492	S	45	Very low	62.4	Low	77 Å²	77	75.7 Å²	75.7	54%	0.538	43%	0.433	S	S	.	.	S	Bend	trans	-91.1	70	172	56.5	0	0	0	0	111.8	S490 I494	S490-S492 PolarHBondContact O-N 3.05Å; S490-S492 PolarHBondContact OG-OG 3.29Å; S492-I494 WeakPolarHBondContact O-CG1 3.31Å; S492-I494 PolarHBondContact O-N 3.3Å
493	G	43.4	Very low	61.2	Low	79 Å²	79	75.7 Å²	75.7	81%	0.814	43%	0.433	S	S	*	.			trans	48.2	9.2	148.2	0	0	0	0	0	121.8	N491 R495	N491-G493 PolarHBondContact O-N 2.64Å; G493-R495 PolarHBondContact O-N 3.33Å
494	I	48.1	Very low	60.5	Low	124 Å²	124	75.9 Å²	75.9	64%	0.636	44%	0.435	S	S	*	.			trans	-76.5	113.4	179.6	-68	164	0	0	0	107.5	S492 M496	S492-I494 WeakPolarHBondContact O-CG1 3.31Å; S492-I494 PolarHBondContact O-N 3.3Å; I494-M496 PolarHBondContact O-N 3.49Å
495	R	46.2	Very low	60.3	Low	219 Å²	219	76 Å²	76	83%	0.826	44%	0.436	S	S	*	.			trans	-53.4	133.6	168.7	-88.8	-176.7	177.2	-170.4	-1	108.7	G493	G493-R495 PolarHBondContact O-N 3.33Å
496	M	48.7	Very low	60.3	Low	81 Å²	81	77.2 Å²	77.2	40%	0.399	44%	0.44	S	S	.	.			trans	-44.4	134.8	163.5	-67.9	-68.1	-111.8	0	0	108.5	V489 I494 T498	V489-M496 HydrophobicContact CG2-CG 4.45Å; V489-M496 HydrophobicContact CG2-SD 3.69Å; I494-M496 PolarHBondContact O-N 3.49Å; M496-T498 PolarHBondContact O-N 3.29Å; M496-T498 VanDerWaalsContact O-N 3.13Å
497	P	46.6	Very low	60.7	Low	59 Å²	59	76 Å²	76	38%	0.383	44%	0.435	S	S	.	.			trans	-48	128.1	169.4	-23	31.9	0	0	0	107.9	S499 T500	P497-S499 PolarHBondContact O-N 3.1Å; P497-T500 PolarHBondContact O-N 3.31Å
498	T	46.1	Very low	61.2	Low	147 Å²	147	74.2 Å²	74.2	90%	0.902	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	3.3	-173.4	37.3	0	0	0	0	114.5	M496	M496-T498 PolarHBondContact O-N 3.29Å; M496-T498 VanDerWaalsContact O-N 3.13Å
499	S	46.9	Very low	62.1	Low	60 Å²	60	72.1 Å²	72.1	42%	0.42	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-15.7	-170.5	57.1	0	0	0	0	115.2	P497 Y529	P497-S499 PolarHBondContact O-N 3.1Å; S499-Y529 WeakPolarHBondContact CB-OH 3.38Å; S499-Y529 WeakPolarHBondContact O-CE1 3.35Å; S499-Y529 WeakPolarHBondContact O-CE2 3.3Å; S499-Y529 PolarHBondContact O-OH 2.67Å
500	T	50.7	Low	63.5	Low	20 Å²	20	68 Å²	68	12%	0.123	39%	0.389	C	S	.	.			trans	-124.1	122.8	-173	55.8	0	0	0	0	112.1	P497 S504 Y529	P497-T500 PolarHBondContact O-N 3.31Å; T500-S504 WeakPolarHBondContact CG2-O 3.41Å; T500-Y529 HydrophobicContact CG2-CD1 3.49Å; T500-Y529 VanDerWaalsContact CG2-CD1 3.49Å; T500-Y529 HydrophobicContact CG2-CE1 3.34Å
501	I	54.1	Low	65.7	Low	178 Å²	178	65.4 Å²	65.4	91%	0.913	37%	0.37	S	S	*	.	S	Bend	trans	-73.5	-26.9	-178.2	-64	169.2	0	0	0	111.9
502	D	63.8	Low	68.2	Low	66 Å²	66	57.8 Å²	57.8	35%	0.353	33%	0.33	S	S	.	.	S	Bend	trans	-112.2	-8.6	-173.7	61.3	-0.5	0	0	0	114.7	L486 S504	L486-D502 WeakPolarHBondContact CD1-O 3.38Å; D502-S504 VanDerWaalsContact OD1-CB 3.31Å; D502-S504 WeakPolarHBondContact OD1-CB 3.15Å; D502-S504 PolarHBondContact OD1-N 2.84Å; D502-S504 PolarHBondContact OD1-OG 2.99Å; D502-S504 PolarHBondContact OD2-OG 2.94Å
503	G	71.1	Confident	70.7	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.01	31%	0.309	C	S	.	.			trans	87.3	5.2	-176.5	0	0	0	0	0	115	L486 H487	L486-G503 VanDerWaalsContact CD1-C 3.47Å; H487-G503 PolarHBondContact N-O 2.77Å
504	S	78.8	Confident	73.2	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.035	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-66.7	149.5	175.5	60.9	0	0	0	0	112.3	T500 D502	T500-S504 WeakPolarHBondContact CG2-O 3.41Å; D502-S504 VanDerWaalsContact OD1-CB 3.31Å; D502-S504 WeakPolarHBondContact OD1-CB 3.15Å; D502-S504 PolarHBondContact OD1-N 2.84Å; D502-S504 PolarHBondContact OD1-OG 2.99Å; D502-S504 PolarHBondContact OD2-OG 2.94Å
505	S	84.1	Confident	75.5	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.021	29%	0.294	C	S	.	.			trans	-119.5	140.7	-177.5	-166.4	0	0	0	0	111.7	R468 G484 G485 H487 T507	R468-S505 PolarHBondContact NH1-OG 3.29Å; G484-S505 WeakPolarHBondContact CA-O 3.28Å; G485-S505 WeakPolarHBondContact O-CB 3.43Å; G485-S505 PolarHBondContact O-N 2.78Å; H487-S505 WeakPolarHBondContact NE2-CB 3.19Å; H487-S505 PolarHBondContact NE2-OG 2.72Å; S505-T507 WeakPolarHBondContact OG-CB 2.95Å; S505-T507 PolarHBondContact OG-N 2.88Å; S505-T507 PolarHBondContact OG-OG1 3.4Å
506	V	87.6	Confident	77.9	Confident	38 Å²	38	49.1 Å²	49.1	23%	0.23	27%	0.271	C	S	.	.			trans	-101.3	1.1	168.3	-64.1	0	0	0	0	112.2	N523 I524 A526	V506-N523 HydrophobicContact CB-CB 4.39Å; V506-N523 HydrophobicContact CG2-CB 4.06Å; V506-N523 WeakPolarHBondContact O-CA 3.31Å; V506-N523 WeakPolarHBondContact O-CB 3.29Å; V506-I524 HydrophobicContact CB-CD1 4.34Å; V506-I524 HydrophobicContact CB-CG1 3.71Å; V506-I524 HydrophobicContact CG1-CD1 4.31Å; V506-I524 HydrophobicContact CG1-CG1 3.99Å; V506-I524 PolarHBondContact O-N 3.26Å; V506-A526 HydrophobicContact CG1-CB 4.12Å
507	T	90.1	Very high	80.2	Confident	29 Å²	29	51.1 Å²	51.1	18%	0.178	28%	0.279	C	S	.	.			trans	-71.8	139	-172	-59.1	0	0	0	0	111.6	R468 G484 S505 E509 L520 N523	R468-T507 PolarHBondContact NH1-O 2.96Å; G484-T507 PolarHBondContact N-O 3.03Å; S505-T507 WeakPolarHBondContact OG-CB 2.95Å; S505-T507 PolarHBondContact OG-N 2.88Å; S505-T507 PolarHBondContact OG-OG1 3.4Å; T507-E509 HydrophobicContact CG2-CG 4.25Å; T507-L520 HydrophobicContact CG2-CD2 3.69Å; T507-N523 WeakPolarHBondContact CA-OD1 3.45Å
508	V	94	Very high	82.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.9	169.9	-178.5	0	0	0	0	108.2	F481 I483 I510 A521 A522 I524 W570	F481-V508 HydrophobicContact CD1-CG1 4.26Å; I483-V508 HydrophobicContact CG1-CG1 4.16Å; I483-V508 HydrophobicContact CG1-CG2 4.26Å; I483-V508 HydrophobicContact CG2-CG2 4.24Å; V508-I510 HydrophobicContact CG1-CG1 4.36Å; V508-A521 HydrophobicContact CB-CB 4.19Å; V508-A521 HydrophobicContact CG1-CB 3.97Å; V508-A521 PolarHBondContact O-N 2.91Å; V508-A522 WeakPolarHBondContact CG2-O 3.39Å; V508-I524 HydrophobicContact CG2-CG2 3.84Å; V508-W570 HydrophobicContact CG2-CZ2 4.18Å
509	E	95.6	Very high	85	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.5	171.2	-75.5	174	116.7	0	0	108.1	R464 T466 R468 Y482 T507 W518 R519 L520	R464-E509 WeakPolarHBondContact CD-OE2 3.48Å; T466-E509 PolarHBondContact OG1-OE2 2.77Å; R468-E509 IonicContact CZ-OE2 3.06Å; R468-E509 IonicContact NE-OE2 2.84Å; R468-E509 IonicContact NH2-OE2 3.31Å; R468-E509 PolarHBondContact NH2-OE2 3.19Å; Y482-E509 PolarHBondContact N-O 2.85Å; Y482-E509 PolarHBondContact O-N 2.93Å; T507-E509 HydrophobicContact CG2-CG 4.25Å; E509-W518 HydrophobicContact CB-CE3 3.72Å; E509-W518 HydrophobicContact CB-CZ3 3.9Å; E509-R519 WeakPolarHBondContact CA-O 3.36Å; E509-L520 HydrophobicContact CG-CD2 3.78Å
510	I	96.8	Very high	87.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.2	179.3	-56.1	179.1	0	0	0	108.3	L479 I480 F481 V508 W518 R519 A521 Y563	L479-I510 HydrophobicContact CB-CG2 3.92Å; L479-I510 HydrophobicContact CD1-CG2 4.1Å; L479-I510 HydrophobicContact CD2-CG2 4Å; L479-I510 HydrophobicContact CG-CG2 4.22Å; I480-I510 CarbonylContact O-C 3.57Å; I480-I510 WeakPolarHBondContact O-CA 3.27Å; F481-I510 HydrophobicContact CD1-CD1 3.89Å; F481-I510 HydrophobicContact CD1-CG1 3.66Å; F481-I510 HydrophobicContact CE1-CD1 3.32Å; F481-I510 HydrophobicContact CE1-CG1 3.64Å; F481-I510 HydrophobicContact CE1-CG2 4.46Å; F481-I510 HydrophobicContact CG-CG1 4.46Å; F481-I510 HydrophobicContact CZ-CD1 4Å; F481-I510 HydrophobicContact CZ-CG1 4.41Å; F481-I510 HydrophobicContact CZ-CG2 4.45Å; V508-I510 HydrophobicContact CG1-CG1 4.36Å; I510-W518 CarbonylContact O-C 3.6Å; I510-W518 WeakPolarHBondContact O-CA 3.19Å; I510-R519 HydrophobicContact CB-CG 4.02Å; I510-R519 PolarHBondContact N-O 2.86Å; I510-R519 PolarHBondContact O-N 3.42Å; I510-A521 HydrophobicContact CD1-CB 3.46Å; I510-A521 VanDerWaalsContact CD1-CB 3.46Å; I510-A521 HydrophobicContact CG1-CB 3.75Å; I510-Y563 HydrophobicContact CD1-CE1 4.41Å
511	Y	97.6	Very high	89.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.5	171.6	176.3	-100	0	0	0	110	Y441 M448 M461 A462 L479 I480 V513 N516 E517 W518	Y441-Y511 HydrophobicContact CE1-CE1 4.11Å; M448-Y511 HydrophobicContact CE-CD1 3.54Å; M448-Y511 HydrophobicContact CE-CD2 4.46Å; M448-Y511 HydrophobicContact CE-CE1 3.72Å; M448-Y511 HydrophobicContact CE-CG 3.93Å; M448-Y511 HydrophobicContact SD-CD1 4.1Å; M448-Y511 HydrophobicContact SD-CD2 3.95Å; M448-Y511 HydrophobicContact SD-CE1 4.12Å; M448-Y511 HydrophobicContact SD-CE2 3.99Å; M448-Y511 HydrophobicContact SD-CG 3.99Å; M461-Y511 WeakPolarHBondContact CE-OH 3.33Å; A462-Y511 HydrophobicContact CB-CE2 4.36Å; L479-Y511 WeakPolarHBondContact CA-O 3.42Å; I480-Y511 HydrophobicContact CB-CD1 4.33Å; I480-Y511 HydrophobicContact CD1-CD1 4.03Å; I480-Y511 HydrophobicContact CD1-CE1 4.5Å; I480-Y511 PolarHBondContact N-O 2.87Å; I480-Y511 PolarHBondContact O-N 3.07Å; Y511-V513 HydrophobicContact CD1-CG2 4.02Å; Y511-V513 HydrophobicContact CE1-CB 4.37Å; Y511-V513 HydrophobicContact CE1-CG2 4Å; Y511-N516 WeakPolarHBondContact CE2-OD1 3.49Å; Y511-N516 WeakPolarHBondContact OH-CA 3.32Å; Y511-N516 PolarHBondContact OH-OD1 3.37Å; Y511-E517 WeakPolarHBondContact CA-O 3.44Å; Y511-W518 AromaticContact CD2-CD1 3.88Å; Y511-W518 AromaticContact CD2-CD2 3.98Å; Y511-W518 HydrophobicContact CD2-CD2 3.98Å; Y511-W518 AromaticContact CD2-CE2 3.65Å; Y511-W518 HydrophobicContact CD2-CG 4.14Å; Y511-W518 HydrophobicContact CD2-CZ2 4.17Å; Y511-W518 AromaticContact CD2-NE1 3.55Å; Y511-W518 HydrophobicContact CG-CD2 4.34Å; Y511-W518 HydrophobicContact CG-CZ2 4.21Å
512	D	97.2	Very high	91.4	Very high	22 Å²	22	43.8 Å²	43.8	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.6	173.3	-175.4	-34.5	0	0	0	108.7	L479 N514 K515 N516 E517	L479-D512 HydrophobicContact CD2-CB 4.12Å; D512-N514 VanDerWaalsContact C-N 3.25Å; D512-N514 PolarHBondContact O-N 2.87Å; D512-N514 WeakPolarHBondContact OD1-CB 3.34Å; D512-N514 PolarHBondContact OD1-N 2.88Å; D512-N514 VanDerWaalsContact OD1-N 3.09Å; D512-K515 HydrophobicContact CB-CB 4.2Å; D512-K515 PolarHBondContact O-N 2.91Å; D512-K515 PolarHBondContact OD1-N 3.44Å; D512-K515 WeakPolarHBondContact OD2-CD 3.31Å; D512-K515 WeakPolarHBondContact OD2-CE 3.47Å; D512-K515 IonicContact OD2-NZ 3.77Å; D512-K515 PolarHBondContact OD2-NZ 2.81Å; D512-N516 PolarHBondContact O-N 2.88Å; D512-E517 PolarHBondContact N-O 3.46Å
513	V	96.9	Very high	92.7	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.097	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.9	-173.9	174.8	0	0	0	0	111.7	A436 Y441 D478 I480 Y511	A436-V513 HydrophobicContact CB-CG2 4.01Å; Y441-V513 VanDerWaalsContact OH-CG1 3.32Å; Y441-V513 WeakPolarHBondContact OH-CG1 3.39Å; D478-V513 WeakPolarHBondContact O-CB 3.28Å; D478-V513 WeakPolarHBondContact O-CG2 3.13Å; D478-V513 PolarHBondContact O-N 3.15Å; D478-V513 VanDerWaalsContact O-N 3.09Å; I480-V513 HydrophobicContact CD1-CG2 3.93Å; I480-V513 HydrophobicContact CG1-CG2 4.08Å; Y511-V513 HydrophobicContact CD1-CG2 4.02Å; Y511-V513 HydrophobicContact CE1-CB 4.37Å; Y511-V513 HydrophobicContact CE1-CG2 4Å
514	N	96.3	Very high	93.7	Very high	104 Å²	104	45 Å²	45	56%	0.556	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-31.4	-177.6	-66.1	-47	0	0	0	112.4	H437 D478 D512	H437-N514 PolarHBondContact CE1-OD1 2.86Å; D478-N514 PolarHBondContact OD2-ND2 2.97Å; D512-N514 VanDerWaalsContact C-N 3.25Å; D512-N514 PolarHBondContact O-N 2.87Å; D512-N514 WeakPolarHBondContact OD1-CB 3.34Å; D512-N514 PolarHBondContact OD1-N 2.88Å; D512-N514 VanDerWaalsContact OD1-N 3.09Å
515	K	96.7	Very high	94.2	Very high	133 Å²	133	46.8 Å²	46.8	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-17.6	-177.4	-63.6	-178.6	-167.3	129	0	113.8	D512 E517	D512-K515 HydrophobicContact CB-CB 4.2Å; D512-K515 PolarHBondContact O-N 2.91Å; D512-K515 PolarHBondContact OD1-N 3.44Å; D512-K515 WeakPolarHBondContact OD2-CD 3.31Å; D512-K515 WeakPolarHBondContact OD2-CE 3.47Å; D512-K515 IonicContact OD2-NZ 3.77Å; D512-K515 PolarHBondContact OD2-NZ 2.81Å; K515-E517 VanDerWaalsContact C-N 3.34Å; K515-E517 HydrophobicContact CB-CB 4.21Å; K515-E517 HydrophobicContact CB-CG 4.23Å
516	N	96.8	Very high	93.9	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	49.6	-169.5	-175.2	29.1	0	0	0	111.6	M461 A462 Y511 D512	M461-N516 HydrophobicContact CE-CB 4.39Å; A462-N516 WeakPolarHBondContact CB-O 3.16Å; A462-N516 VanDerWaalsContact CB-OD1 3.31Å; A462-N516 WeakPolarHBondContact CB-OD1 3.48Å; A462-N516 PolarHBondContact N-OD1 3.35Å; Y511-N516 WeakPolarHBondContact CE2-OD1 3.49Å; Y511-N516 WeakPolarHBondContact OH-CA 3.32Å; Y511-N516 PolarHBondContact OH-OD1 3.37Å; D512-N516 PolarHBondContact O-N 2.88Å
517	E	97.1	Very high	92.8	Very high	122 Å²	122	54.9 Å²	54.9	57%	0.57	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.3	-176.1	-72.5	-178.6	170.5	0	0	112	Y511 D512 K515	Y511-E517 WeakPolarHBondContact CA-O 3.44Å; D512-E517 PolarHBondContact N-O 3.46Å; K515-E517 VanDerWaalsContact C-N 3.34Å; K515-E517 HydrophobicContact CB-CB 4.21Å; K515-E517 HydrophobicContact CB-CG 4.23Å
518	W	96.7	Very high	91.2	Very high	43 Å²	43	63.9 Å²	63.9	16%	0.163	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.5	173.8	-70.6	94.7	0	0	0	111.6	M443 M448 A462 R464 E509 I510 Y511	M443-W518 HydrophobicContact SD-CH2 3.85Å; M443-W518 HydrophobicContact SD-CZ2 4.23Å; M448-W518 HydrophobicContact CE-CZ2 4.33Å; M448-W518 HydrophobicContact SD-CH2 4.37Å; M448-W518 HydrophobicContact SD-CZ2 3.47Å; M448-W518 WeakPolarHBondContact SD-CZ2 3.39Å; A462-W518 PolarHBondContact O-NE1 2.91Å; R464-W518 HydrophobicContact CG-CD2 3.53Å; R464-W518 HydrophobicContact CG-CE3 3.88Å; R464-W518 HydrophobicContact CG-CG 4.08Å; R464-W518 HydrophobicContact CG-CH2 3.87Å; R464-W518 HydrophobicContact CG-CZ2 3.5Å; R464-W518 VanDerWaalsContact CG-CZ2 3.5Å; R464-W518 HydrophobicContact CG-CZ3 4.04Å; E509-W518 HydrophobicContact CB-CE3 3.72Å; E509-W518 HydrophobicContact CB-CZ3 3.9Å; I510-W518 CarbonylContact O-C 3.6Å; I510-W518 WeakPolarHBondContact O-CA 3.19Å; Y511-W518 AromaticContact CD2-CD1 3.88Å; Y511-W518 AromaticContact CD2-CD2 3.98Å; Y511-W518 HydrophobicContact CD2-CD2 3.98Å; Y511-W518 AromaticContact CD2-CE2 3.65Å; Y511-W518 HydrophobicContact CD2-CG 4.14Å; Y511-W518 HydrophobicContact CD2-CZ2 4.17Å; Y511-W518 AromaticContact CD2-NE1 3.55Å; Y511-W518 HydrophobicContact CG-CD2 4.34Å; Y511-W518 HydrophobicContact CG-CZ2 4.21Å
519	R	95.7	Very high	89.5	Confident	113 Å²	113	69.2 Å²	69.2	43%	0.426	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.8	168.9	65.6	-178.2	-179.2	121.4	-5.7	111.3	E509 I510	E509-R519 WeakPolarHBondContact CA-O 3.36Å; I510-R519 HydrophobicContact CB-CG 4.02Å; I510-R519 PolarHBondContact N-O 2.86Å; I510-R519 PolarHBondContact O-N 3.42Å
520	L	95.4	Very high	87.3	Confident	115 Å²	115	69.5 Å²	69.5	60%	0.602	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	150.5	170.2	-69.5	168.8	0	0	0	110	T507 E509	T507-L520 HydrophobicContact CG2-CD2 3.69Å; E509-L520 HydrophobicContact CG-CD2 3.78Å
521	A	95.5	Very high	85.4	Confident	11 Å²	11	73.4 Å²	73.4	9%	0.091	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	176.4	175.2	0	0	0	0	0	110.5	V508 I510 N523 Y563 D568	V508-A521 HydrophobicContact CB-CB 4.19Å; V508-A521 HydrophobicContact CG1-CB 3.97Å; V508-A521 PolarHBondContact O-N 2.91Å; I510-A521 HydrophobicContact CD1-CB 3.46Å; I510-A521 VanDerWaalsContact CD1-CB 3.46Å; I510-A521 HydrophobicContact CG1-CB 3.75Å; A521-N523 PolarHBondContact O-N 3.39Å; A521-Y563 WeakPolarHBondContact CB-OH 3.46Å; A521-D568 WeakPolarHBondContact CA-OD1 3.44Å; A521-D568 WeakPolarHBondContact CB-OD1 3.11Å
522	A	95	Very high	83.4	Confident	28 Å²	28	74.5 Å²	74.5	23%	0.231	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.2	128.8	176.2	0	0	0	0	0	111.9	V508 D568 W570	V508-A522 WeakPolarHBondContact CG2-O 3.39Å; A522-D568 WeakPolarHBondContact CB-O 3.03Å; A522-D568 PolarHBondContact N-OD1 3.08Å; A522-W570 PolarHBondContact O-NE1 2.58Å
523	N	92.5	Very high	82.5	Confident	87 Å²	87	73.7 Å²	73.7	47%	0.465	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.6	152.3	176	-66.6	-32.4	0	0	0	111	V506 T507 A521	V506-N523 HydrophobicContact CB-CB 4.39Å; V506-N523 HydrophobicContact CG2-CB 4.06Å; V506-N523 WeakPolarHBondContact O-CA 3.31Å; V506-N523 WeakPolarHBondContact O-CB 3.29Å; T507-N523 WeakPolarHBondContact CA-OD1 3.45Å; A521-N523 PolarHBondContact O-N 3.39Å
524	I	91.5	Very high	82	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.036	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-61.4	144.7	173.8	63	179	0	0	0	110.7	I483 V506 V508 A526 P532 V534 I545 W570	I483-I524 HydrophobicContact CG2-CG2 3.5Å; V506-I524 HydrophobicContact CB-CD1 4.34Å; V506-I524 HydrophobicContact CB-CG1 3.71Å; V506-I524 HydrophobicContact CG1-CD1 4.31Å; V506-I524 HydrophobicContact CG1-CG1 3.99Å; V506-I524 PolarHBondContact O-N 3.26Å; V508-I524 HydrophobicContact CG2-CG2 3.84Å; I524-A526 HydrophobicContact CG1-CB 4.46Å; I524-A526 PolarHBondContact O-N 3.39Å; I524-P532 HydrophobicContact CD1-CB 4.38Å; I524-V534 HydrophobicContact CD1-CB 4.49Å; I524-V534 HydrophobicContact CD1-CG1 4.39Å; I524-V534 HydrophobicContact CD1-CG2 4.48Å; I524-I545 HydrophobicContact CB-CD1 3.96Å; I524-I545 HydrophobicContact CG2-CD1 3.78Å; I524-W570 HydrophobicContact CG2-CZ2 4.29Å
525	P	88.3	Confident	81.9	Confident	41 Å²	41	70.4 Å²	70.4	27%	0.266	33%	0.334	S	S	.	.			trans	-79.5	55.1	-172.4	33.1	-35.7	0	0	0	113	M547 Y561 W570	P525-M547 HydrophobicContact CG-SD 4.42Å; P525-Y561 HydrophobicContact CB-CD1 4.31Å; P525-Y561 HydrophobicContact CB-CE1 4.01Å; P525-Y561 HydrophobicContact CG-CD1 3.33Å; P525-Y561 HydrophobicContact CG-CD2 3.99Å; P525-Y561 HydrophobicContact CG-CE1 3.4Å; P525-Y561 VanDerWaalsContact CG-CE1 3.4Å; P525-Y561 HydrophobicContact CG-CE2 4.03Å; P525-Y561 HydrophobicContact CG-CG 3.64Å; P525-W570 HydrophobicContact CG-CB 3.96Å; P525-W570 HydrophobicContact CG-CG 4.41Å
526	A	77.8	Confident	81.8	Confident	38 Å²	38	64.6 Å²	64.6	31%	0.314	31%	0.31	S	S	.	.			trans	-88	125	178.2	0	0	0	0	0	111.8	V506 I524 M547	V506-A526 HydrophobicContact CG1-CB 4.12Å; I524-A526 HydrophobicContact CG1-CB 4.46Å; I524-A526 PolarHBondContact O-N 3.39Å; A526-M547 HydrophobicContact CB-CE 4.06Å
527	K	65.3	Low	81.6	Confident	174 Å²	174	62 Å²	62	76%	0.757	30%	0.297	S	S	*	.	S	Bend	trans	-77.1	-19.1	-171.4	-70.9	-179.9	-179.3	173.7	0	115.4
528	R	56.3	Low	81.5	Confident	217 Å²	217	58.6 Å²	58.6	82%	0.819	28%	0.284	S	S	*	.	S	Bend	trans	-173.8	152.8	168.8	-110.7	174.1	-98.7	-147.9	1.5	111.5	S530	R528-S530 PolarHBondContact O-N 3.23Å; R528-S530 VanDerWaalsContact O-N 3.07Å
529	Y	58.1	Low	81.4	Confident	113 Å²	113	56.6 Å²	56.6	44%	0.443	28%	0.277	S	S	.	.			trans	-56.6	104.1	-168.7	-54.2	-79.3	0	0	0	113.9	S499 T500	S499-Y529 WeakPolarHBondContact CB-OH 3.38Å; S499-Y529 WeakPolarHBondContact O-CE1 3.35Å; S499-Y529 WeakPolarHBondContact O-CE2 3.3Å; S499-Y529 PolarHBondContact O-OH 2.67Å; T500-Y529 HydrophobicContact CG2-CD1 3.49Å; T500-Y529 VanDerWaalsContact CG2-CD1 3.49Å; T500-Y529 HydrophobicContact CG2-CE1 3.34Å
530	S	50.2	Low	81.1	Confident	12 Å²	12	55.7 Å²	55.7	8%	0.084	28%	0.28	C	S	.	.	S	Bend	trans	-137.8	127.6	163.7	57.1	0	0	0	0	107.2	R528 P532 T550 H551	R528-S530 PolarHBondContact O-N 3.23Å; R528-S530 VanDerWaalsContact O-N 3.07Å; S530-P532 VanDerWaalsContact C-N 3.31Å; S530-P532 WeakPolarHBondContact O-CA 3.25Å; S530-P532 WeakPolarHBondContact O-CD 3.48Å; S530-T550 PolarHBondContact OG-O 3.48Å; S530-H551 WeakPolarHBondContact CB-CD2 3.45Å
531	D	55.6	Low	80.9	Confident	81 Å²	81	56.6 Å²	56.6	43%	0.433	29%	0.285	S	S	.	.			trans	-15.4	80.8	168.4	-135.9	-5.4	0	0	0	112.2	C533	D531-C533 PolarHBondContact O-N 2.82Å; D531-C533 PolarHBondContact O-SG 3.2Å
532	P	56.8	Low	80.8	Confident	23 Å²	23	57.2 Å²	57.2	15%	0.149	29%	0.289	C	S	.	.			trans	-75	105.8	-155.1	23.1	-29	0	0	0	107.2	I524 S530 V534	I524-P532 HydrophobicContact CD1-CB 4.38Å; S530-P532 VanDerWaalsContact C-N 3.31Å; S530-P532 WeakPolarHBondContact O-CA 3.25Å; S530-P532 WeakPolarHBondContact O-CD 3.48Å; P532-V534 PolarHBondContact O-N 2.84Å
533	C	77.3	Confident	80.9	Confident	6 Å²	6	56 Å²	56	4%	0.041	28%	0.278	C	S	.	.			trans	-73.7	72.6	175.4	-62.2	0	0	0	0	107.5	D531 M547 R548 K586 F588	D531-C533 PolarHBondContact O-N 2.82Å; D531-C533 PolarHBondContact O-SG 3.2Å; C533-M547 WeakPolarHBondContact O-CA 3.47Å; C533-R548 HydrophobicContact CB-CB 4.16Å; C533-R548 PolarHBondContact O-N 3.17Å; C533-K586 VanDerWaalsContact SG-CA 3.55Å; C533-F588 HydrophobicContact CB-CE1 3.87Å; C533-F588 HydrophobicContact CB-CZ 4.24Å
534	V	88.3	Confident	81.1	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.4	-177.2	66.7	0	0	0	0	109.6	I483 I524 P532 I545 F546 M547	I483-V534 HydrophobicContact CG2-CG1 4.35Å; I483-V534 HydrophobicContact CG2-CG2 4.21Å; I524-V534 HydrophobicContact CD1-CB 4.49Å; I524-V534 HydrophobicContact CD1-CG1 4.39Å; I524-V534 HydrophobicContact CD1-CG2 4.48Å; P532-V534 PolarHBondContact O-N 2.84Å; V534-I545 HydrophobicContact CG2-CB 3.8Å; V534-I545 HydrophobicContact CG2-CD1 4.23Å; V534-I545 HydrophobicContact CG2-CG2 3.92Å; V534-F546 WeakPolarHBondContact CA-O 3.44Å; V534-M547 HydrophobicContact CB-CB 4.4Å; V534-M547 HydrophobicContact CG2-CB 4.25Å
535	R	92.5	Very high	81.2	Confident	48 Å²	48	51.5 Å²	51.5	18%	0.181	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.3	173.6	-60.5	-66.2	176.8	-98.9	-0.4	108.7	I545 F546 F588 C590	R535-I545 WeakPolarHBondContact O-CA 3.35Å; R535-F546 PolarHBondContact N-O 2.8Å; R535-F546 PolarHBondContact O-N 3.42Å; R535-F588 HydrophobicContact CG-CD2 4.46Å; R535-F588 HydrophobicContact CG-CE2 3.84Å; R535-F588 VanDerWaalsContact CZ-O 3.26Å; R535-F588 PolarHBondContact NE-O 3.39Å; R535-F588 PolarHBondContact NH2-O 3.24Å; R535-C590 HydrophobicContact CB-CB 3.67Å; R535-C590 HydrophobicContact CG-CB 3.69Å
536	A	94.3	Very high	81.5	Confident	10 Å²	10	49.5 Å²	49.5	8%	0.083	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.6	170.5	0	0	0	0	0	108.6	S472 A474 I483	S472-A536 WeakPolarHBondContact OG-CB 3.37Å; S472-A536 PolarHBondContact OG-N 2.76Å; A474-A536 HydrophobicContact CB-CB 3.78Å; I483-A536 HydrophobicContact CD1-CB 3.84Å; I483-A536 HydrophobicContact CG1-CB 4.45Å
537	V	94.5	Very high	82.1	Confident	10 Å²	10	47.9 Å²	47.9	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.9	-177.6	-70.4	0	0	0	0	109.7	L270 C544 C590 V592	L270-V537 HydrophobicContact CD2-CG2 4.05Å; V537-C544 HydrophobicContact CG2-CB 4.11Å; V537-C544 PolarHBondContact N-O 3.49Å; V537-C544 CarbonylContact O-C 3.59Å; V537-C544 PolarHBondContact O-N 3.3Å; V537-C590 HydrophobicContact CG1-CB 4.49Å; V537-V592 HydrophobicContact CB-CG2 3.54Å; V537-V592 HydrophobicContact CG1-CG2 3.8Å; V537-V592 HydrophobicContact CG2-CG2 4.25Å
538	V	93.9	Very high	83.2	Confident	51 Å²	51	39.8 Å²	39.8	31%	0.309	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.7	166.9	-179.6	0	0	0	0	107	F476	F476-V538 HydrophobicContact CD2-CG1 4.2Å; F476-V538 HydrophobicContact CD2-CG2 4.21Å; F476-V538 HydrophobicContact CE2-CG1 4.43Å
539	L	93.8	Very high	84.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.3	-176.9	-178.5	74.5	0	0	0	108.8	E268 L270 P299 N541 S542 C544 I560 R573 V592	E268-L539 HydrophobicContact CG-CD1 4.05Å; E268-L539 WeakPolarHBondContact OE2-CD1 3.41Å; L270-L539 HydrophobicContact CD2-CD1 4.41Å; P299-L539 HydrophobicContact CG-CD1 4.45Å; P299-L539 HydrophobicContact CG-CD2 4.04Å; L539-N541 VanDerWaalsContact C-N 3.29Å; L539-N541 PolarHBondContact O-N 2.76Å; L539-S542 PolarHBondContact N-O 2.79Å; L539-S542 PolarHBondContact O-N 3.31Å; L539-S542 VanDerWaalsContact O-N 3.13Å; L539-C544 HydrophobicContact CB-CB 4.25Å; L539-I560 HydrophobicContact CD2-CD1 4.3Å; L539-I560 HydrophobicContact CD2-CG2 4.31Å; L539-R573 PolarHBondContact O-NH1 3.49Å; L539-V592 HydrophobicContact CD1-CG1 3.84Å
540	L	90.1	Very high	85.6	Confident	94 Å²	94	27.2 Å²	27.2	49%	0.492	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	49.8	-178.5	-62.4	170.7	0	0	0	110.7	E268 S542	E268-L540 HydrophobicContact CB-CD2 4.29Å; E268-L540 VanDerWaalsContact OE2-CA 3.27Å; E268-L540 WeakPolarHBondContact OE2-CA 3.36Å; E268-L540 VanDerWaalsContact OE2-CD2 3.25Å; E268-L540 WeakPolarHBondContact OE2-CD2 3.4Å; E268-L540 VanDerWaalsContact OE2-CG 3.24Å; E268-L540 WeakPolarHBondContact OE2-CG 3.42Å; E268-L540 PolarHBondContact OE2-N 3.03Å; L540-S542 PolarHBondContact O-N 3.02Å; L540-S542 PolarHBondContact O-OG 2.85Å
541	N	90.9	Very high	86.8	Confident	133 Å²	133	29.6 Å²	29.6	71%	0.711	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	30.2	-178.7	-162.9	44.3	0	0	0	114.4	F476 L539	F476-N541 WeakPolarHBondContact CE2-O 3.38Å; L539-N541 VanDerWaalsContact C-N 3.29Å; L539-N541 PolarHBondContact O-N 2.76Å
542	S	94.1	Very high	87.8	Confident	24 Å²	24	28.2 Å²	28.2	17%	0.168	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	176.8	-59.6	0	0	0	0	110.3	L539 L540 C544	L539-S542 PolarHBondContact N-O 2.79Å; L539-S542 PolarHBondContact O-N 3.31Å; L539-S542 VanDerWaalsContact O-N 3.13Å; L540-S542 PolarHBondContact O-N 3.02Å; L540-S542 PolarHBondContact O-OG 2.85Å; S542-C544 PolarHBondContact O-N 3.17Å
543	L	96.5	Very high	88.6	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.8	171	178.7	68.3	0	0	0	109.4	A474 F476 F481 Y563	A474-L543 HydrophobicContact CB-CD1 3.83Å; F476-L543 HydrophobicContact CB-CB 4.33Å; F476-L543 HydrophobicContact CD1-CB 4.26Å; F476-L543 HydrophobicContact CG-CB 4.12Å; F481-L543 HydrophobicContact CB-CD2 4.2Å; F481-L543 HydrophobicContact CD1-CD2 3.3Å; F481-L543 HydrophobicContact CD2-CD1 4.47Å; F481-L543 HydrophobicContact CD2-CD2 3.58Å; F481-L543 HydrophobicContact CE1-CD2 3.38Å; F481-L543 HydrophobicContact CE2-CD2 3.67Å; F481-L543 HydrophobicContact CG-CD2 3.41Å; F481-L543 VanDerWaalsContact CG-CD2 3.41Å; F481-L543 HydrophobicContact CZ-CD2 3.58Å; L543-Y563 HydrophobicContact CD2-CD1 3.97Å; L543-Y563 HydrophobicContact CD2-CG 4.15Å; L543-Y563 PolarHBondContact O-N 3.03Å
544	C	96.7	Very high	88.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.8	179.4	-64.5	0	0	0	0	110.9	V537 L539 S542 I560 Y561 R573	V537-C544 HydrophobicContact CG2-CB 4.11Å; V537-C544 PolarHBondContact N-O 3.49Å; V537-C544 CarbonylContact O-C 3.59Å; V537-C544 PolarHBondContact O-N 3.3Å; L539-C544 HydrophobicContact CB-CB 4.25Å; S542-C544 PolarHBondContact O-N 3.17Å; C544-I560 HydrophobicContact CB-CG2 4.14Å; C544-Y561 CarbonylContact C-O 3.53Å; C544-Y561 WeakPolarHBondContact CA-O 3.47Å; C544-Y561 WeakPolarHBondContact CB-O 3.31Å; C544-R573 PolarHBondContact SG-NH1 2.87Å
545	I	94.9	Very high	88.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.5	162.6	57.7	176.8	0	0	0	108.9	I483 I524 V534 R535 M547 I560 Y561 W570	I483-I545 HydrophobicContact CD1-CG2 3.76Å; I483-I545 HydrophobicContact CG2-CG2 4.4Å; I524-I545 HydrophobicContact CB-CD1 3.96Å; I524-I545 HydrophobicContact CG2-CD1 3.78Å; V534-I545 HydrophobicContact CG2-CB 3.8Å; V534-I545 HydrophobicContact CG2-CD1 4.23Å; V534-I545 HydrophobicContact CG2-CG2 3.92Å; R535-I545 WeakPolarHBondContact O-CA 3.35Å; I545-M547 HydrophobicContact CD1-SD 3.92Å; I545-I560 WeakPolarHBondContact O-CA 3.46Å; I545-Y561 HydrophobicContact CD1-CD2 4.4Å; I545-Y561 HydrophobicContact CG1-CD2 4.33Å; I545-Y561 HydrophobicContact CG1-CG 4.46Å; I545-Y561 PolarHBondContact N-O 2.88Å; I545-Y561 PolarHBondContact O-N 2.8Å; I545-W570 HydrophobicContact CB-CH2 4.36Å; I545-W570 HydrophobicContact CB-CZ3 4.1Å; I545-W570 HydrophobicContact CD1-CD2 4.28Å; I545-W570 HydrophobicContact CD1-CE3 3.93Å; I545-W570 HydrophobicContact CD1-CH2 4.21Å; I545-W570 HydrophobicContact CD1-CZ3 3.88Å; I545-W570 HydrophobicContact CG1-CE3 3.93Å; I545-W570 HydrophobicContact CG1-CH2 4.17Å; I545-W570 HydrophobicContact CG1-CZ3 3.58Å; I545-W570 HydrophobicContact CG2-CH2 3.44Å; I545-W570 VanDerWaalsContact CG2-CH2 3.44Å; I545-W570 HydrophobicContact CG2-CZ2 4.32Å; I545-W570 HydrophobicContact CG2-CZ3 3.67Å
546	F	94.4	Very high	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.3	161.6	179.9	-92.1	0	0	0	107.5	L270 F272 V534 R535 Y558 I560 V576 L581 L584 F588	L270-F546 HydrophobicContact CD1-CB 4.22Å; L270-F546 HydrophobicContact CD1-CD2 3.48Å; L270-F546 VanDerWaalsContact CD1-CD2 3.48Å; L270-F546 HydrophobicContact CD1-CE2 4.13Å; L270-F546 HydrophobicContact CD1-CG 4.07Å; F272-F546 AromaticContact CE1-CD1 3.69Å; F272-F546 HydrophobicContact CE1-CD1 3.69Å; F272-F546 HydrophobicContact CE1-CD2 4.47Å; F272-F546 AromaticContact CE1-CE1 3.55Å; F272-F546 HydrophobicContact CE1-CE1 3.55Å; F272-F546 HydrophobicContact CE1-CE2 4.34Å; F272-F546 HydrophobicContact CE1-CG 4.16Å; F272-F546 AromaticContact CE1-CZ 3.9Å; F272-F546 HydrophobicContact CE1-CZ 3.9Å; F272-F546 HydrophobicContact CE2-CZ 4.38Å; F272-F546 HydrophobicContact CZ-CD1 4.03Å; F272-F546 HydrophobicContact CZ-CD2 4.05Å; F272-F546 AromaticContact CZ-CE1 3.68Å; F272-F546 HydrophobicContact CZ-CE1 3.68Å; F272-F546 AromaticContact CZ-CE2 3.69Å; F272-F546 HydrophobicContact CZ-CE2 3.69Å; F272-F546 HydrophobicContact CZ-CG 4.2Å; F272-F546 AromaticContact CZ-CZ 3.5Å; F272-F546 HydrophobicContact CZ-CZ 3.5Å; F272-F546 VanDerWaalsContact CZ-CZ 3.5Å; V534-F546 WeakPolarHBondContact CA-O 3.44Å; R535-F546 PolarHBondContact N-O 2.8Å; R535-F546 PolarHBondContact O-N 3.42Å; F546-Y558 HydrophobicContact CD1-CD1 4.43Å; F546-Y558 AromaticContact CE1-CD1 3.44Å; F546-Y558 HydrophobicContact CE1-CD1 3.44Å; F546-Y558 VanDerWaalsContact CE1-CD1 3.44Å; F546-Y558 AromaticContact CE1-CE1 3.91Å; F546-Y558 HydrophobicContact CE1-CE1 3.91Å; F546-Y558 HydrophobicContact CE1-CG 4.17Å; F546-Y558 HydrophobicContact CE2-CD1 4.45Å; F546-Y558 HydrophobicContact CE2-CG 4.48Å; F546-Y558 AromaticContact CZ-CD1 3.45Å; F546-Y558 HydrophobicContact CZ-CD1 3.45Å; F546-Y558 VanDerWaalsContact CZ-CD1 3.45Å; F546-Y558 HydrophobicContact CZ-CE1 4.21Å; F546-Y558 AromaticContact CZ-CG 3.69Å; F546-Y558 HydrophobicContact CZ-CG 3.69Å; F546-I560 HydrophobicContact CD2-CG1 3.99Å; F546-V576 HydrophobicContact CE2-CG2 4.16Å; F546-L581 HydrophobicContact CE2-CD2 4.24Å; F546-L581 HydrophobicContact CZ-CD2 3.71Å; F546-L584 HydrophobicContact CE1-CD1 4.03Å; F546-L584 HydrophobicContact CZ-CD1 4.18Å; F546-F588 AromaticContact CD1-CE2 3.81Å; F546-F588 HydrophobicContact CD1-CE2 3.81Å; F546-F588 AromaticContact CD1-CZ 3.87Å; F546-F588 HydrophobicContact CD1-CZ 3.87Å; F546-F588 AromaticContact CE1-CE2 3.83Å; F546-F588 HydrophobicContact CE1-CE2 3.83Å; F546-F588 AromaticContact CE1-CZ 3.7Å; F546-F588 HydrophobicContact CE1-CZ 3.7Å
547	M	90.1	Very high	87.4	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.2	-175.8	64.6	177.9	-79.6	0	0	112.6	P525 A526 C533 V534 I545 E549 Y558 A559 Y561	P525-M547 HydrophobicContact CG-SD 4.42Å; A526-M547 HydrophobicContact CB-CE 4.06Å; C533-M547 WeakPolarHBondContact O-CA 3.47Å; V534-M547 HydrophobicContact CB-CB 4.4Å; V534-M547 HydrophobicContact CG2-CB 4.25Å; I545-M547 HydrophobicContact CD1-SD 3.92Å; M547-E549 HydrophobicContact CE-CG 4.12Å; M547-Y558 VanDerWaalsContact O-CA 3.29Å; M547-Y558 WeakPolarHBondContact O-CA 3.47Å; M547-A559 PolarHBondContact N-O 3.4Å; M547-A559 PolarHBondContact O-N 2.81Å; M547-Y561 HydrophobicContact CE-CE2 4.42Å; M547-Y561 HydrophobicContact CG-CD2 3.81Å; M547-Y561 HydrophobicContact CG-CE2 3.73Å; M547-Y561 HydrophobicContact SD-CD2 3.53Å; M547-Y561 VanDerWaalsContact SD-CD2 3.53Å; M547-Y561 HydrophobicContact SD-CE2 3.37Å; M547-Y561 WeakPolarHBondContact SD-CE2 3.46Å
548	R	87.8	Confident	87.3	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.019	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.8	159.3	-169.4	-177.7	172.5	145.1	1.8	108.5	C533 T550 H551 M552 E554 K557 Y558 D583	C533-R548 HydrophobicContact CB-CB 4.16Å; C533-R548 PolarHBondContact O-N 3.17Å; R548-T550 WeakPolarHBondContact CD-O 3.22Å; R548-T550 WeakPolarHBondContact CG-O 3.37Å; R548-T550 PolarHBondContact NE-O 3.41Å; R548-T550 VanDerWaalsContact NE-O 3.13Å; R548-H551 PolarHBondContact NH2-O 2.75Å; R548-M552 PolarHBondContact NH1-SD 3.4Å; R548-M552 PolarHBondContact NH2-O 2.76Å; R548-E554 PolarHBondContact NH2-O 2.97Å; R548-K557 CarbonylContact C-O 3.52Å; R548-K557 WeakPolarHBondContact CA-O 3.46Å; R548-Y558 HydrophobicContact CB-CD1 3.94Å; R548-Y558 HydrophobicContact CB-CE1 3.62Å; R548-Y558 HydrophobicContact CG-CD1 4.42Å; R548-Y558 HydrophobicContact CG-CE1 4Å; R548-D583 IonicContact CZ-OD1 3.17Å; R548-D583 IonicContact CZ-OD2 2.77Å; R548-D583 IonicContact NH1-OD1 2.81Å; R548-D583 PolarHBondContact NH1-OD1 2.8Å; R548-D583 IonicContact NH1-OD2 2.64Å; R548-D583 PolarHBondContact NH1-OD2 3.13Å; R548-D583 IonicContact NH2-OD2 2.64Å; R548-D583 PolarHBondContact NH2-OD2 3.13Å
549	E	84.1	Confident	87.2	Confident	46 Å²	46	43.7 Å²	43.7	22%	0.215	22%	0.216	C	C	.	.			trans	-81.5	-23.5	179.1	-72.6	-171	90.5	0	0	113.3	M547 K557 A559 Y561	M547-E549 HydrophobicContact CE-CG 4.12Å; E549-K557 PolarHBondContact N-O 3.26Å; E549-A559 HydrophobicContact CG-CB 4.03Å; E549-Y561 HydrophobicContact CG-CE2 4.44Å; E549-Y561 PolarHBondContact OE1-OH 3.09Å
550	T	79.9	Confident	87.3	Confident	20 Å²	20	43.7 Å²	43.7	12%	0.123	22%	0.216	C	C	.	.	S	Bend	trans	-105.7	158.7	-173.6	52.5	0	0	0	0	112.9	S530 R548 R555 A556 K557	S530-T550 PolarHBondContact OG-O 3.48Å; R548-T550 WeakPolarHBondContact CD-O 3.22Å; R548-T550 WeakPolarHBondContact CG-O 3.37Å; R548-T550 PolarHBondContact NE-O 3.41Å; R548-T550 VanDerWaalsContact NE-O 3.13Å; T550-R555 VanDerWaalsContact CB-O 3.24Å; T550-R555 WeakPolarHBondContact CB-O 3.22Å; T550-R555 WeakPolarHBondContact CG2-O 3.31Å; T550-R555 PolarHBondContact OG1-O 3.28Å; T550-A556 WeakPolarHBondContact OG1-CA 3.31Å; T550-K557 HydrophobicContact CG2-CB 3.85Å; T550-K557 HydrophobicContact CG2-CD 4Å; T550-K557 HydrophobicContact CG2-CG 3.88Å; T550-K557 PolarHBondContact OG1-N 3.4Å
551	H	77.3	Confident	87.6	Confident	62 Å²	62	39.9 Å²	39.9	29%	0.287	20%	0.196	S	C	.	.			trans	-65.4	153.4	178.9	-171	-87	0	0	0	112.9	S530 R548 N553 E554	S530-H551 WeakPolarHBondContact CB-CD2 3.45Å; R548-H551 PolarHBondContact NH2-O 2.75Å; H551-N553 PolarHBondContact CE1-ND2 3.39Å; H551-N553 PolarHBondContact ND1-N 3.23Å; H551-N553 VanDerWaalsContact ND1-N 3.12Å; H551-N553 PolarHBondContact O-N 2.98Å; H551-N553 VanDerWaalsContact O-N 3.13Å; H551-E554 HydrophobicContact CB-CB 4.38Å; H551-E554 HydrophobicContact CB-CG 4Å; H551-E554 PolarHBondContact N-OE2 3.46Å; H551-E554 VanDerWaalsContact N-OE2 3.08Å; H551-E554 WeakPolarHBondContact O-CA 3.47Å; H551-E554 WeakPolarHBondContact O-CB 3.43Å; H551-E554 PolarHBondContact O-N 2.66Å
552	M	75.2	Confident	87.9	Confident	52 Å²	52	36.7 Å²	36.7	26%	0.256	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	179.5	-75.1	-59.3	-53.6	0	0	113.2	R548 K586	R548-M552 PolarHBondContact NH1-SD 3.4Å; R548-M552 PolarHBondContact NH2-O 2.76Å; M552-K586 HydrophobicContact CE-CB 3.94Å; M552-K586 HydrophobicContact SD-CB 3.96Å
553	N	74.2	Confident	88	Confident	147 Å²	147	36 Å²	36	79%	0.786	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.2	176.8	-59.9	-13	0	0	0	113.3	H551	H551-N553 PolarHBondContact CE1-ND2 3.39Å; H551-N553 PolarHBondContact ND1-N 3.23Å; H551-N553 VanDerWaalsContact ND1-N 3.12Å; H551-N553 PolarHBondContact O-N 2.98Å; H551-N553 VanDerWaalsContact O-N 3.13Å
554	E	77.1	Confident	88	Confident	118 Å²	118	37.9 Å²	37.9	55%	0.551	18%	0.18	S	C	*	.	S	Bend	trans	-103.9	166.2	177.7	-66.2	171.7	175.8	0	0	109.9	R548 H551 A556	R548-E554 PolarHBondContact NH2-O 2.97Å; H551-E554 HydrophobicContact CB-CB 4.38Å; H551-E554 HydrophobicContact CB-CG 4Å; H551-E554 PolarHBondContact N-OE2 3.46Å; H551-E554 VanDerWaalsContact N-OE2 3.08Å; H551-E554 WeakPolarHBondContact O-CA 3.47Å; H551-E554 WeakPolarHBondContact O-CB 3.43Å; H551-E554 PolarHBondContact O-N 2.66Å; E554-A556 PolarHBondContact O-N 2.9Å
555	R	78.7	Confident	87.7	Confident	82 Å²	82	40.8 Å²	40.8	31%	0.309	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-57	125.3	174.3	-173.3	175.3	-178.5	165.1	7	110.4	T550 K557 E578 L611 F612	T550-R555 VanDerWaalsContact CB-O 3.24Å; T550-R555 WeakPolarHBondContact CB-O 3.22Å; T550-R555 WeakPolarHBondContact CG2-O 3.31Å; T550-R555 PolarHBondContact OG1-O 3.28Å; R555-K557 PolarHBondContact O-N 3.06Å; R555-E578 WeakPolarHBondContact CD-OE2 3.39Å; R555-E578 IonicContact CZ-OE1 3.55Å; R555-E578 IonicContact CZ-OE2 3.01Å; R555-E578 VanDerWaalsContact NE-CD 3.28Å; R555-E578 IonicContact NE-OE1 3.33Å; R555-E578 IonicContact NE-OE2 3.52Å; R555-E578 PolarHBondContact NE-OE2 3.36Å; R555-E578 IonicContact NH1-OE1 3.29Å; R555-E578 PolarHBondContact NH1-OE1 2.82Å; R555-E578 IonicContact NH1-OE2 3.49Å; R555-E578 IonicContact NH2-OE1 3.95Å; R555-E578 PolarHBondContact NH2-OE1 3.19Å; R555-E578 IonicContact NH2-OE2 2.77Å; R555-E578 PolarHBondContact NH2-OE2 3.16Å; R555-L611 PolarHBondContact NH1-O 3.28Å; R555-F612 VanDerWaalsContact NH2-CE1 3.33Å
556	A	83.9	Confident	87.6	Confident	11 Å²	11	49.2 Å²	49.2	9%	0.091	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-64.4	122.9	-177.6	0	0	0	0	0	111.3	T550 E554 Y558 D583	T550-A556 WeakPolarHBondContact OG1-CA 3.31Å; E554-A556 PolarHBondContact O-N 2.9Å; A556-Y558 HydrophobicContact CB-CE2 3.73Å; A556-D583 HydrophobicContact CB-CB 3.63Å
557	K	87.6	Confident	87.6	Confident	112 Å²	112	53.8 Å²	53.8	49%	0.487	26%	0.261	S	S	.	.			trans	-122.9	132.3	168.4	-63.8	-175.8	177.8	-176.3	0	108.2	R548 E549 T550 R555	R548-K557 CarbonylContact C-O 3.52Å; R548-K557 WeakPolarHBondContact CA-O 3.46Å; E549-K557 PolarHBondContact N-O 3.26Å; T550-K557 HydrophobicContact CG2-CB 3.85Å; T550-K557 HydrophobicContact CG2-CD 4Å; T550-K557 HydrophobicContact CG2-CG 3.88Å; T550-K557 PolarHBondContact OG1-N 3.4Å; R555-K557 PolarHBondContact O-N 3.06Å
558	Y	91.6	Very high	87.9	Confident	5 Å²	5	56.5 Å²	56.5	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149	-178.2	-66.2	-84	0	0	0	110.2	F546 M547 R548 A556 V576 L581 D583 L584 F588	F546-Y558 HydrophobicContact CD1-CD1 4.43Å; F546-Y558 AromaticContact CE1-CD1 3.44Å; F546-Y558 HydrophobicContact CE1-CD1 3.44Å; F546-Y558 VanDerWaalsContact CE1-CD1 3.44Å; F546-Y558 AromaticContact CE1-CE1 3.91Å; F546-Y558 HydrophobicContact CE1-CE1 3.91Å; F546-Y558 HydrophobicContact CE1-CG 4.17Å; F546-Y558 HydrophobicContact CE2-CD1 4.45Å; F546-Y558 HydrophobicContact CE2-CG 4.48Å; F546-Y558 AromaticContact CZ-CD1 3.45Å; F546-Y558 HydrophobicContact CZ-CD1 3.45Å; F546-Y558 VanDerWaalsContact CZ-CD1 3.45Å; F546-Y558 HydrophobicContact CZ-CE1 4.21Å; F546-Y558 AromaticContact CZ-CG 3.69Å; F546-Y558 HydrophobicContact CZ-CG 3.69Å; M547-Y558 VanDerWaalsContact O-CA 3.29Å; M547-Y558 WeakPolarHBondContact O-CA 3.47Å; R548-Y558 HydrophobicContact CB-CD1 3.94Å; R548-Y558 HydrophobicContact CB-CE1 3.62Å; R548-Y558 HydrophobicContact CG-CD1 4.42Å; R548-Y558 HydrophobicContact CG-CE1 4Å; A556-Y558 HydrophobicContact CB-CE2 3.73Å; Y558-V576 WeakPolarHBondContact O-CA 3.17Å; Y558-V576 WeakPolarHBondContact O-CB 3.29Å; Y558-V576 PolarHBondContact O-N 2.9Å; Y558-L581 HydrophobicContact CD2-CD2 4.05Å; Y558-L581 HydrophobicContact CG-CD2 4.29Å; Y558-D583 PolarHBondContact OH-OD1 3.13Å; Y558-L584 HydrophobicContact CE2-CG 4.47Å; Y558-L584 PolarHBondContact OH-N 2.86Å; Y558-L584 VanDerWaalsContact OH-N 3.09Å; Y558-F588 HydrophobicContact CE1-CE1 4.09Å; Y558-F588 HydrophobicContact CE1-CZ 4.27Å
559	A	93.3	Very high	88.3	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.4	176.3	0	0	0	0	0	110.9	M547 E549 Y561 L572	M547-A559 PolarHBondContact N-O 3.4Å; M547-A559 PolarHBondContact O-N 2.81Å; E549-A559 HydrophobicContact CG-CB 4.03Å; A559-Y561 HydrophobicContact CB-CD2 4.2Å; A559-Y561 HydrophobicContact CB-CE2 3.56Å; A559-L572 HydrophobicContact CB-CD1 3.82Å
560	I	95.5	Very high	88.9	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.2	170.7	-57.6	171.4	0	0	0	107.5	L270 Y297 P299 L539 C544 I545 F546 R573 Q574 V576	L270-I560 HydrophobicContact CD1-CD1 3.9Å; L270-I560 HydrophobicContact CD1-CG1 4.33Å; Y297-I560 HydrophobicContact CE1-CD1 4.08Å; P299-I560 HydrophobicContact CB-CD1 4.19Å; P299-I560 HydrophobicContact CG-CD1 4.11Å; L539-I560 HydrophobicContact CD2-CD1 4.3Å; L539-I560 HydrophobicContact CD2-CG2 4.31Å; C544-I560 HydrophobicContact CB-CG2 4.14Å; I545-I560 WeakPolarHBondContact O-CA 3.46Å; F546-I560 HydrophobicContact CD2-CG1 3.99Å; I560-R573 HydrophobicContact CG2-CB 4.23Å; I560-R573 WeakPolarHBondContact O-CA 3.32Å; I560-R573 VanDerWaalsContact O-CB 3.31Å; I560-R573 WeakPolarHBondContact O-CB 3.47Å; I560-R573 PolarHBondContact O-N 2.99Å; I560-Q574 PolarHBondContact N-O 2.8Å; I560-Q574 PolarHBondContact O-N 3.1Å; I560-Q574 VanDerWaalsContact O-N 3.17Å; I560-V576 HydrophobicContact CG1-CG2 4.36Å
561	Y	95.8	Very high	89.6	Confident	15 Å²	15	64 Å²	64	6%	0.059	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.4	171	-64.2	-98	0	0	0	110.1	P525 C544 I545 M547 E549 A559 F571 L572	P525-Y561 HydrophobicContact CB-CD1 4.31Å; P525-Y561 HydrophobicContact CB-CE1 4.01Å; P525-Y561 HydrophobicContact CG-CD1 3.33Å; P525-Y561 HydrophobicContact CG-CD2 3.99Å; P525-Y561 HydrophobicContact CG-CE1 3.4Å; P525-Y561 VanDerWaalsContact CG-CE1 3.4Å; P525-Y561 HydrophobicContact CG-CE2 4.03Å; P525-Y561 HydrophobicContact CG-CG 3.64Å; C544-Y561 CarbonylContact C-O 3.53Å; C544-Y561 WeakPolarHBondContact CA-O 3.47Å; C544-Y561 WeakPolarHBondContact CB-O 3.31Å; I545-Y561 HydrophobicContact CD1-CD2 4.4Å; I545-Y561 HydrophobicContact CG1-CD2 4.33Å; I545-Y561 HydrophobicContact CG1-CG 4.46Å; I545-Y561 PolarHBondContact N-O 2.88Å; I545-Y561 PolarHBondContact O-N 2.8Å; M547-Y561 HydrophobicContact CE-CE2 4.42Å; M547-Y561 HydrophobicContact CG-CD2 3.81Å; M547-Y561 HydrophobicContact CG-CE2 3.73Å; M547-Y561 HydrophobicContact SD-CD2 3.53Å; M547-Y561 VanDerWaalsContact SD-CD2 3.53Å; M547-Y561 HydrophobicContact SD-CE2 3.37Å; M547-Y561 WeakPolarHBondContact SD-CE2 3.46Å; E549-Y561 HydrophobicContact CG-CE2 4.44Å; E549-Y561 PolarHBondContact OE1-OH 3.09Å; A559-Y561 HydrophobicContact CB-CD2 4.2Å; A559-Y561 HydrophobicContact CB-CE2 3.56Å; Y561-F571 CarbonylContact C-O 3.56Å; Y561-F571 WeakPolarHBondContact CA-O 3.43Å; Y561-F571 WeakPolarHBondContact CB-O 3.23Å; Y561-F571 WeakPolarHBondContact CD1-O 3.38Å; Y561-L572 HydrophobicContact CD1-CB 4.12Å; Y561-L572 HydrophobicContact CD1-CD1 4.33Å; Y561-L572 HydrophobicContact CE1-CB 3.84Å; Y561-L572 HydrophobicContact CE1-CD1 3.9Å; Y561-L572 HydrophobicContact CE1-CG 4.47Å; Y561-L572 HydrophobicContact CE2-CD1 4.32Å
562	Q	96.8	Very high	90.5	Very high	66 Å²	66	65.5 Å²	65.5	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138	174	179.3	173.2	-34.8	0	0	109.5	W570 F571 R573	Q562-W570 WeakPolarHBondContact O-CA 3.13Å; Q562-F571 PolarHBondContact N-O 2.97Å; Q562-F571 PolarHBondContact O-N 3.38Å; Q562-R573 HydrophobicContact CB-CB 4.26Å
563	Y	97.1	Very high	91.4	Very high	9 Å²	9	66.9 Å²	66.9	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.3	174.8	-172.5	-105.7	0	0	0	110.8	F481 I510 A521 L543 T565 D568 W570	F481-Y563 AromaticContact CE1-CD1 3.76Å; F481-Y563 HydrophobicContact CE1-CD1 3.76Å; F481-Y563 AromaticContact CE1-CE1 3.52Å; F481-Y563 HydrophobicContact CE1-CE1 3.52Å; F481-Y563 HydrophobicContact CZ-CD1 4.19Å; F481-Y563 HydrophobicContact CZ-CE1 4.05Å; I510-Y563 HydrophobicContact CD1-CE1 4.41Å; A521-Y563 WeakPolarHBondContact CB-OH 3.46Å; L543-Y563 HydrophobicContact CD2-CD1 3.97Å; L543-Y563 HydrophobicContact CD2-CG 4.15Å; L543-Y563 PolarHBondContact O-N 3.03Å; Y563-T565 HydrophobicContact CD1-CG2 3.89Å; Y563-T565 HydrophobicContact CE1-CG2 3.91Å; Y563-D568 PolarHBondContact OH-OD1 3.34Å; Y563-W570 AromaticContact CD2-CD2 3.76Å; Y563-W570 HydrophobicContact CD2-CD2 3.76Å; Y563-W570 AromaticContact CD2-CE2 3.45Å; Y563-W570 VanDerWaalsContact CD2-CE2 3.45Å; Y563-W570 HydrophobicContact CD2-CE3 4.26Å; Y563-W570 HydrophobicContact CD2-CG 4.17Å; Y563-W570 HydrophobicContact CD2-CH2 4.19Å; Y563-W570 AromaticContact CD2-CZ2 3.69Å; Y563-W570 HydrophobicContact CD2-CZ2 3.69Å; Y563-W570 HydrophobicContact CD2-CZ3 4.46Å; Y563-W570 AromaticContact CD2-NE1 3.68Å; Y563-W570 HydrophobicContact CE2-CZ2 4.45Å; Y563-W570 AromaticContact CE2-NE1 3.99Å; Y563-W570 HydrophobicContact CG-CD2 4.48Å; Y563-W570 HydrophobicContact CG-CH2 4.25Å; Y563-W570 HydrophobicContact CG-CZ2 4.18Å; Y563-W570 HydrophobicContact CG-CZ3 4.45Å
564	D	95.5	Very high	92.4	Very high	41 Å²	41	61.1 Å²	61.1	22%	0.219	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.9	171.1	-176.9	-34.4	0	0	0	109.4	E566 L567 D568 R569 F571	D564-E566 VanDerWaalsContact C-N 3.32Å; D564-E566 PolarHBondContact O-N 3.41Å; D564-E566 WeakPolarHBondContact OD1-CA 3.05Å; D564-E566 WeakPolarHBondContact OD1-CB 3.44Å; D564-E566 PolarHBondContact OD1-N 2.87Å; D564-L567 HydrophobicContact CB-CB 4.37Å; D564-L567 PolarHBondContact OD1-N 2.84Å; D564-L567 WeakPolarHBondContact OD2-CD1 3.45Å; D564-D568 WeakPolarHBondContact O-CA 3.47Å; D564-D568 PolarHBondContact O-N 2.9Å; D564-R569 HydrophobicContact CB-CG 4.45Å; D564-R569 PolarHBondContact N-O 2.89Å; D564-R569 PolarHBondContact O-N 2.7Å; D564-F571 HydrophobicContact CB-CD2 4.03Å; D564-F571 HydrophobicContact CB-CE2 3.5Å
565	T	91.4	Very high	93.1	Very high	62 Å²	62	59.5 Å²	59.5	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.9	-177.5	47.6	0	0	0	0	113.7	F476 F481 Y563	F476-T565 HydrophobicContact CD1-CG2 4.49Å; F476-T565 HydrophobicContact CE1-CG2 4.49Å; F481-T565 HydrophobicContact CZ-CG2 4.25Å; Y563-T565 HydrophobicContact CD1-CG2 3.89Å; Y563-T565 HydrophobicContact CE1-CG2 3.91Å
566	E	92.2	Very high	93.8	Very high	176 Å²	176	56.1 Å²	56.1	82%	0.822	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-41.5	-178.9	-61.6	-173.5	172	0	0	111	D564	D564-E566 VanDerWaalsContact C-N 3.32Å; D564-E566 PolarHBondContact O-N 3.41Å; D564-E566 WeakPolarHBondContact OD1-CA 3.05Å; D564-E566 WeakPolarHBondContact OD1-CB 3.44Å; D564-E566 PolarHBondContact OD1-N 2.87Å
567	L	95.3	Very high	93.9	Very high	96 Å²	96	57.9 Å²	57.9	50%	0.503	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.3	-178.3	-63.1	-178.4	0	0	0	114	D564 R569 F571	D564-L567 HydrophobicContact CB-CB 4.37Å; D564-L567 PolarHBondContact OD1-N 2.84Å; D564-L567 WeakPolarHBondContact OD2-CD1 3.45Å; L567-R569 HydrophobicContact CB-CG 3.8Å; L567-R569 PolarHBondContact O-N 3.49Å; L567-F571 HydrophobicContact CD1-CZ 4.19Å
568	D	95.9	Very high	93.6	Very high	61 Å²	61	54.7 Å²	54.7	33%	0.326	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	56.3	-173.5	-175.1	14.9	0	0	0	110.7	A521 A522 Y563 D564	A521-D568 WeakPolarHBondContact CA-OD1 3.44Å; A521-D568 WeakPolarHBondContact CB-OD1 3.11Å; A522-D568 WeakPolarHBondContact CB-O 3.03Å; A522-D568 PolarHBondContact N-OD1 3.08Å; Y563-D568 PolarHBondContact OH-OD1 3.34Å; D564-D568 WeakPolarHBondContact O-CA 3.47Å; D564-D568 PolarHBondContact O-N 2.9Å
569	R	96.4	Very high	93.2	Very high	120 Å²	120	61.3 Å²	61.3	45%	0.453	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.5	-177.6	77.3	-173.3	-160.3	-179	0.4	114	D564 L567 F571	D564-R569 HydrophobicContact CB-CG 4.45Å; D564-R569 PolarHBondContact N-O 2.89Å; D564-R569 PolarHBondContact O-N 2.7Å; L567-R569 HydrophobicContact CB-CG 3.8Å; L567-R569 PolarHBondContact O-N 3.49Å; R569-F571 HydrophobicContact CG-CD2 4Å; R569-F571 HydrophobicContact CG-CE2 3.48Å; R569-F571 VanDerWaalsContact CG-CE2 3.48Å; R569-F571 HydrophobicContact CG-CZ 4.04Å; R569-F571 VanDerWaalsContact CZ-CE1 3.46Å; R569-F571 VanDerWaalsContact NE-CE1 3.29Å
570	W	95.8	Very high	92.9	Very high	29 Å²	29	63 Å²	63	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.9	174.5	-64.8	92.7	0	0	0	111.4	I483 V508 A522 I524 P525 I545 Q562 Y563	I483-W570 HydrophobicContact CD1-CH2 3.87Å; I483-W570 HydrophobicContact CD1-CZ2 4.02Å; V508-W570 HydrophobicContact CG2-CZ2 4.18Å; A522-W570 PolarHBondContact O-NE1 2.58Å; I524-W570 HydrophobicContact CG2-CZ2 4.29Å; P525-W570 HydrophobicContact CG-CB 3.96Å; P525-W570 HydrophobicContact CG-CG 4.41Å; I545-W570 HydrophobicContact CB-CH2 4.36Å; I545-W570 HydrophobicContact CB-CZ3 4.1Å; I545-W570 HydrophobicContact CD1-CD2 4.28Å; I545-W570 HydrophobicContact CD1-CE3 3.93Å; I545-W570 HydrophobicContact CD1-CH2 4.21Å; I545-W570 HydrophobicContact CD1-CZ3 3.88Å; I545-W570 HydrophobicContact CG1-CE3 3.93Å; I545-W570 HydrophobicContact CG1-CH2 4.17Å; I545-W570 HydrophobicContact CG1-CZ3 3.58Å; I545-W570 HydrophobicContact CG2-CH2 3.44Å; I545-W570 VanDerWaalsContact CG2-CH2 3.44Å; I545-W570 HydrophobicContact CG2-CZ2 4.32Å; I545-W570 HydrophobicContact CG2-CZ3 3.67Å; Q562-W570 WeakPolarHBondContact O-CA 3.13Å; Y563-W570 AromaticContact CD2-CD2 3.76Å; Y563-W570 HydrophobicContact CD2-CD2 3.76Å; Y563-W570 AromaticContact CD2-CE2 3.45Å; Y563-W570 VanDerWaalsContact CD2-CE2 3.45Å; Y563-W570 HydrophobicContact CD2-CE3 4.26Å; Y563-W570 HydrophobicContact CD2-CG 4.17Å; Y563-W570 HydrophobicContact CD2-CH2 4.19Å; Y563-W570 AromaticContact CD2-CZ2 3.69Å; Y563-W570 HydrophobicContact CD2-CZ2 3.69Å; Y563-W570 HydrophobicContact CD2-CZ3 4.46Å; Y563-W570 AromaticContact CD2-NE1 3.68Å; Y563-W570 HydrophobicContact CE2-CZ2 4.45Å; Y563-W570 AromaticContact CE2-NE1 3.99Å; Y563-W570 HydrophobicContact CG-CD2 4.48Å; Y563-W570 HydrophobicContact CG-CH2 4.25Å; Y563-W570 HydrophobicContact CG-CZ2 4.18Å; Y563-W570 HydrophobicContact CG-CZ3 4.45Å
571	F	95.6	Very high	92.6	Very high	78 Å²	78	63 Å²	63	34%	0.342	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.4	174.4	-65.6	-97.1	0	0	0	110.6	Y561 Q562 D564 L567 R569 R573	Y561-F571 CarbonylContact C-O 3.56Å; Y561-F571 WeakPolarHBondContact CA-O 3.43Å; Y561-F571 WeakPolarHBondContact CB-O 3.23Å; Y561-F571 WeakPolarHBondContact CD1-O 3.38Å; Q562-F571 PolarHBondContact N-O 2.97Å; Q562-F571 PolarHBondContact O-N 3.38Å; D564-F571 HydrophobicContact CB-CD2 4.03Å; D564-F571 HydrophobicContact CB-CE2 3.5Å; L567-F571 HydrophobicContact CD1-CZ 4.19Å; R569-F571 HydrophobicContact CG-CD2 4Å; R569-F571 HydrophobicContact CG-CE2 3.48Å; R569-F571 VanDerWaalsContact CG-CE2 3.48Å; R569-F571 HydrophobicContact CG-CZ 4.04Å; R569-F571 VanDerWaalsContact CZ-CE1 3.46Å; R569-F571 VanDerWaalsContact NE-CE1 3.29Å; F571-R573 PolarHBondContact O-N 2.91Å; F571-R573 VanDerWaalsContact O-N 3.15Å
572	L	95.6	Very high	92.3	Very high	94 Å²	94	63 Å²	63	49%	0.492	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	114.1	170.5	179.1	63.7	0	0	0	108.4	A559 Y561	A559-L572 HydrophobicContact CB-CD1 3.82Å; Y561-L572 HydrophobicContact CD1-CB 4.12Å; Y561-L572 HydrophobicContact CD1-CD1 4.33Å; Y561-L572 HydrophobicContact CE1-CB 3.84Å; Y561-L572 HydrophobicContact CE1-CD1 3.9Å; Y561-L572 HydrophobicContact CE1-CG 4.47Å; Y561-L572 HydrophobicContact CE2-CD1 4.32Å
573	R	94.8	Very high	91.8	Very high	81 Å²	81	61.6 Å²	61.6	31%	0.306	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-48.3	176.1	-175.2	179.7	-175.5	156.3	11.5	110.3	L539 C544 I560 Q562 F571	L539-R573 PolarHBondContact O-NH1 3.49Å; C544-R573 PolarHBondContact SG-NH1 2.87Å; I560-R573 HydrophobicContact CG2-CB 4.23Å; I560-R573 WeakPolarHBondContact O-CA 3.32Å; I560-R573 VanDerWaalsContact O-CB 3.31Å; I560-R573 WeakPolarHBondContact O-CB 3.47Å; I560-R573 PolarHBondContact O-N 2.99Å; Q562-R573 HydrophobicContact CB-CB 4.26Å; F571-R573 PolarHBondContact O-N 2.91Å; F571-R573 VanDerWaalsContact O-N 3.15Å
574	Q	93.8	Very high	91.4	Very high	26 Å²	26	61.2 Å²	61.2	12%	0.121	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	126.8	-176.5	-171.7	174.4	8.7	0	0	110.7	Y297 P299 E302 I560	Y297-Q574 PolarHBondContact OH-NE2 3.42Å; P299-Q574 PolarHBondContact O-NE2 2.9Å; P299-Q574 PolarHBondContact O-OE1 3.23Å; E302-Q574 VanDerWaalsContact CG-NE2 3.28Å; E302-Q574 PolarHBondContact OE1-NE2 3.18Å; I560-Q574 PolarHBondContact N-O 2.8Å; I560-Q574 PolarHBondContact O-N 3.1Å; I560-Q574 VanDerWaalsContact O-N 3.17Å
575	P	93	Very high	90.9	Very high	85 Å²	85	59.4 Å²	59.4	55%	0.552	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.5	164.7	31.6	-32.3	0	0	0	109.8
576	V	92	Very high	90.2	Very high	10 Å²	10	62 Å²	62	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.6	176.7	-178	0	0	0	0	108.9	Y297 F546 Y558 I560 E578 L581	Y297-V576 HydrophobicContact CE1-CG1 4.42Å; Y297-V576 HydrophobicContact CE1-CG2 3.95Å; Y297-V576 HydrophobicContact CE2-CG1 4.15Å; F546-V576 HydrophobicContact CE2-CG2 4.16Å; Y558-V576 WeakPolarHBondContact O-CA 3.17Å; Y558-V576 WeakPolarHBondContact O-CB 3.29Å; Y558-V576 PolarHBondContact O-N 2.9Å; I560-V576 HydrophobicContact CG1-CG2 4.36Å; V576-E578 PolarHBondContact O-N 3.23Å; V576-L581 HydrophobicContact CG1-CB 3.74Å; V576-L581 HydrophobicContact CG1-CD2 3.86Å; V576-L581 HydrophobicContact CG1-CG 4.48Å
577	S	86	Confident	89.3	Confident	49 Å²	49	57.6 Å²	57.6	34%	0.343	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-63.1	129.3	-179.4	-178.6	0	0	0	0	111.4	R579 V580 L581	S577-R579 PolarHBondContact O-N 3.15Å; S577-R579 WeakPolarHBondContact OG-CB 3.5Å; S577-R579 PolarHBondContact OG-N 3.07Å; S577-V580 WeakPolarHBondContact O-CA 3.46Å; S577-V580 WeakPolarHBondContact O-CB 3.14Å; S577-V580 PolarHBondContact O-N 3.08Å; S577-L581 PolarHBondContact O-N 3.02Å
578	E	82.2	Confident	88.8	Confident	45 Å²	45	53 Å²	53	21%	0.21	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.8	169.6	61.1	-173.4	-161.9	0	0	113.5	R555 V576 V580 L581 W605	R555-E578 WeakPolarHBondContact CD-OE2 3.39Å; R555-E578 IonicContact CZ-OE1 3.55Å; R555-E578 IonicContact CZ-OE2 3.01Å; R555-E578 VanDerWaalsContact NE-CD 3.28Å; R555-E578 IonicContact NE-OE1 3.33Å; R555-E578 IonicContact NE-OE2 3.52Å; R555-E578 PolarHBondContact NE-OE2 3.36Å; R555-E578 IonicContact NH1-OE1 3.29Å; R555-E578 PolarHBondContact NH1-OE1 2.82Å; R555-E578 IonicContact NH1-OE2 3.49Å; R555-E578 IonicContact NH2-OE1 3.95Å; R555-E578 PolarHBondContact NH2-OE1 3.19Å; R555-E578 IonicContact NH2-OE2 2.77Å; R555-E578 PolarHBondContact NH2-OE2 3.16Å; V576-E578 PolarHBondContact O-N 3.23Å; E578-V580 PolarHBondContact O-N 3.48Å; E578-L581 WeakPolarHBondContact CA-O 3.41Å; E578-W605 PolarHBondContact O-NE1 2.87Å
579	R	83.4	Confident	88.2	Confident	143 Å²	143	53.6 Å²	53.6	54%	0.54	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.2	171.9	-52.9	-168.1	176.4	178.8	1.9	112.1	S577 W605 P607	S577-R579 PolarHBondContact O-N 3.15Å; S577-R579 WeakPolarHBondContact OG-CB 3.5Å; S577-R579 PolarHBondContact OG-N 3.07Å; R579-W605 VanDerWaalsContact O-CD1 3.29Å; R579-P607 HydrophobicContact CB-CG 4.26Å; R579-P607 HydrophobicContact CG-CG 4.1Å
580	V	86.3	Confident	87.9	Confident	35 Å²	35	49 Å²	49	21%	0.212	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-44.8	-176.9	172.8	0	0	0	0	110.7	Y297 E302 V304 S577 E578	Y297-V580 HydrophobicContact CD2-CG1 4.18Å; Y297-V580 HydrophobicContact CE2-CG1 3.91Å; E302-V580 VanDerWaalsContact O-CG1 3.28Å; E302-V580 WeakPolarHBondContact O-CG1 3.28Å; V304-V580 HydrophobicContact CG2-CG1 3.84Å; V304-V580 VanDerWaalsContact CG2-O 3.31Å; V304-V580 WeakPolarHBondContact CG2-O 3.32Å; S577-V580 WeakPolarHBondContact O-CA 3.46Å; S577-V580 WeakPolarHBondContact O-CB 3.14Å; S577-V580 PolarHBondContact O-N 3.08Å; E578-V580 PolarHBondContact O-N 3.48Å
581	L	89.4	Confident	87.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.238	C	C	.	.			trans	-120.6	124.2	-177.4	-166.4	69.5	0	0	0	110.7	F272 V304 F546 Y558 V576 S577 E578 L584	F272-L581 HydrophobicContact CE2-CD2 4.48Å; V304-L581 HydrophobicContact CG2-CB 4.39Å; V304-L581 HydrophobicContact CG2-CD1 3.6Å; F546-L581 HydrophobicContact CE2-CD2 4.24Å; F546-L581 HydrophobicContact CZ-CD2 3.71Å; Y558-L581 HydrophobicContact CD2-CD2 4.05Å; Y558-L581 HydrophobicContact CG-CD2 4.29Å; V576-L581 HydrophobicContact CG1-CB 3.74Å; V576-L581 HydrophobicContact CG1-CD2 3.86Å; V576-L581 HydrophobicContact CG1-CG 4.48Å; S577-L581 PolarHBondContact O-N 3.02Å; E578-L581 WeakPolarHBondContact CA-O 3.41Å; L581-L584 HydrophobicContact CD1-CD2 3.93Å; L581-L584 HydrophobicContact CD1-CG 4.48Å; L581-L584 HydrophobicContact CD2-CD1 4.08Å; L581-L584 HydrophobicContact CD2-CG 4.34Å; L581-L584 HydrophobicContact CG-CD2 4.29Å; L581-L584 HydrophobicContact CG-CG 4.4Å
582	W	89	Confident	87.9	Confident	14 Å²	14	45.9 Å²	45.9	5%	0.053	23%	0.229	C	C	.	.			trans	-82	-179.1	174.1	65.5	95.2	0	0	0	111.4	M276 E278 T293 V295 V304 L584 W605	M276-W582 PolarHBondContact O-NE1 2.87Å; E278-W582 HydrophobicContact CB-CD2 4.38Å; E278-W582 HydrophobicContact CB-CZ2 4.31Å; E278-W582 HydrophobicContact CG-CD2 4.44Å; E278-W582 HydrophobicContact CG-CE3 4.32Å; T293-W582 HydrophobicContact CG2-CZ2 4.03Å; V295-W582 HydrophobicContact CB-CH2 4.31Å; V295-W582 HydrophobicContact CG1-CH2 3.55Å; V295-W582 HydrophobicContact CG1-CZ2 3.81Å; V295-W582 HydrophobicContact CG2-CH2 4.37Å; V295-W582 HydrophobicContact CG2-CZ2 4.32Å; V304-W582 HydrophobicContact CG1-CH2 4.08Å; V304-W582 HydrophobicContact CG1-CZ3 3.93Å; W582-L584 PolarHBondContact O-N 3.31Å; W582-L584 VanDerWaalsContact O-N 3.1Å; W582-W605 HydrophobicContact CB-CD2 4.03Å; W582-W605 HydrophobicContact CB-CE3 4.31Å; W582-W605 HydrophobicContact CB-CH2 3.72Å; W582-W605 HydrophobicContact CB-CZ2 3.46Å; W582-W605 VanDerWaalsContact CB-CZ2 3.46Å; W582-W605 HydrophobicContact CB-CZ3 4.15Å; W582-W605 HydrophobicContact CE3-CB 4.11Å; W582-W605 HydrophobicContact CE3-CD2 4.21Å; W582-W605 AromaticContact CE3-CG 3.99Å; W582-W605 HydrophobicContact CE3-CG 3.99Å; W582-W605 HydrophobicContact CZ3-CB 4.3Å
583	D	87.6	Confident	87.9	Confident	37 Å²	37	41.5 Å²	41.5	20%	0.198	21%	0.206	C	C	.	.			trans	-67.2	110.8	177.1	-168.1	-2.6	0	0	0	111.8	M276 R548 A556 Y558 G585	M276-D583 HydrophobicContact CE-CB 4.13Å; M276-D583 WeakPolarHBondContact CE-O 3.25Å; R548-D583 IonicContact CZ-OD1 3.17Å; R548-D583 IonicContact CZ-OD2 2.77Å; R548-D583 IonicContact NH1-OD1 2.81Å; R548-D583 PolarHBondContact NH1-OD1 2.8Å; R548-D583 IonicContact NH1-OD2 2.64Å; R548-D583 PolarHBondContact NH1-OD2 3.13Å; R548-D583 IonicContact NH2-OD2 2.64Å; R548-D583 PolarHBondContact NH2-OD2 3.13Å; A556-D583 HydrophobicContact CB-CB 3.63Å; Y558-D583 PolarHBondContact OH-OD1 3.13Å; D583-G585 PolarHBondContact O-N 2.8Å; D583-G585 PolarHBondContact OD1-N 2.84Å
584	L	88.2	Confident	87.8	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.207	C	C	.	.			trans	-71.8	-15.4	176	-57.4	-176.5	0	0	0	113.7	F272 A275 M276 V295 F546 Y558 L581 W582 F588	F272-L584 HydrophobicContact CB-CD1 4.32Å; F272-L584 HydrophobicContact CD1-CD1 3.72Å; F272-L584 HydrophobicContact CD2-CD1 3.88Å; F272-L584 HydrophobicContact CE1-CD1 3.9Å; F272-L584 HydrophobicContact CE2-CD1 4.04Å; F272-L584 HydrophobicContact CG-CD1 3.7Å; F272-L584 HydrophobicContact CZ-CD1 4.05Å; A275-L584 HydrophobicContact CB-CD2 3.67Å; M276-L584 PolarHBondContact N-O 3.33Å; V295-L584 HydrophobicContact CG2-CD2 4.29Å; F546-L584 HydrophobicContact CE1-CD1 4.03Å; F546-L584 HydrophobicContact CZ-CD1 4.18Å; Y558-L584 HydrophobicContact CE2-CG 4.47Å; Y558-L584 PolarHBondContact OH-N 2.86Å; Y558-L584 VanDerWaalsContact OH-N 3.09Å; L581-L584 HydrophobicContact CD1-CD2 3.93Å; L581-L584 HydrophobicContact CD1-CG 4.48Å; L581-L584 HydrophobicContact CD2-CD1 4.08Å; L581-L584 HydrophobicContact CD2-CG 4.34Å; L581-L584 HydrophobicContact CG-CD2 4.29Å; L581-L584 HydrophobicContact CG-CG 4.4Å; W582-L584 PolarHBondContact O-N 3.31Å; W582-L584 VanDerWaalsContact O-N 3.1Å; L584-F588 HydrophobicContact CB-CB 4.27Å; L584-F588 HydrophobicContact CB-CD1 3.59Å; L584-F588 HydrophobicContact CB-CE1 4.11Å; L584-F588 HydrophobicContact CB-CG 4Å; L584-F588 HydrophobicContact CD1-CD1 4.31Å; L584-F588 HydrophobicContact CD1-CD2 4.28Å; L584-F588 HydrophobicContact CD1-CE1 4.44Å; L584-F588 HydrophobicContact CD1-CE2 4.4Å; L584-F588 HydrophobicContact CD1-CG 4.25Å; L584-F588 HydrophobicContact CD1-CZ 4.49Å
585	G	84.1	Confident	87.9	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.031	20%	0.201	C	C	.	.			trans	85.6	-166	-175.9	0	0	0	0	0	112.9	D583 F588	D583-G585 PolarHBondContact O-N 2.8Å; D583-G585 PolarHBondContact OD1-N 2.84Å; G585-F588 VanDerWaalsContact O-CD1 3.22Å; G585-F588 WeakPolarHBondContact O-CD1 3.48Å; G585-F588 WeakPolarHBondContact O-CE1 3.42Å
586	K	76.9	Confident	87.9	Confident	117 Å²	117	36 Å²	36	51%	0.509	18%	0.176	S	C	.	.	S	Bend	trans	-94.3	-25.1	-174.4	68.3	178.8	-174.9	172	0	115.1	C533 M552	C533-K586 VanDerWaalsContact SG-CA 3.55Å; M552-K586 HydrophobicContact CE-CB 3.94Å; M552-K586 HydrophobicContact SD-CB 3.96Å
587	D	74.8	Confident	87.9	Confident	83 Å²	83	36.7 Å²	36.7	44%	0.444	18%	0.18	S	C	.	.	S	Bend	trans	-98.7	0.1	-167.1	-77.8	-64.3	0	0	0	113.4	K381 R589	K381-D587 IonicContact NZ-OD1 2.64Å; D587-R589 PolarHBondContact O-N 3.29Å
588	F	83.1	Confident	88.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.			trans	-60	140.8	-176.6	72.5	-94.5	0	0	0	111.3	F272 M273 C533 R535 F546 Y558 L584 G585	F272-F588 AromaticContact CD1-CD2 3.71Å; F272-F588 HydrophobicContact CD1-CD2 3.71Å; F272-F588 HydrophobicContact CD1-CE2 4.01Å; F272-F588 HydrophobicContact CE1-CD2 4.22Å; F272-F588 HydrophobicContact CE1-CE2 4.04Å; M273-F588 WeakPolarHBondContact O-CA 3.2Å; C533-F588 HydrophobicContact CB-CE1 3.87Å; C533-F588 HydrophobicContact CB-CZ 4.24Å; R535-F588 HydrophobicContact CG-CD2 4.46Å; R535-F588 HydrophobicContact CG-CE2 3.84Å; R535-F588 VanDerWaalsContact CZ-O 3.26Å; R535-F588 PolarHBondContact NE-O 3.39Å; R535-F588 PolarHBondContact NH2-O 3.24Å; F546-F588 AromaticContact CD1-CE2 3.81Å; F546-F588 HydrophobicContact CD1-CE2 3.81Å; F546-F588 AromaticContact CD1-CZ 3.87Å; F546-F588 HydrophobicContact CD1-CZ 3.87Å; F546-F588 AromaticContact CE1-CE2 3.83Å; F546-F588 HydrophobicContact CE1-CE2 3.83Å; F546-F588 AromaticContact CE1-CZ 3.7Å; F546-F588 HydrophobicContact CE1-CZ 3.7Å; Y558-F588 HydrophobicContact CE1-CE1 4.09Å; Y558-F588 HydrophobicContact CE1-CZ 4.27Å; L584-F588 HydrophobicContact CB-CB 4.27Å; L584-F588 HydrophobicContact CB-CD1 3.59Å; L584-F588 HydrophobicContact CB-CE1 4.11Å; L584-F588 HydrophobicContact CB-CG 4Å; L584-F588 HydrophobicContact CD1-CD1 4.31Å; L584-F588 HydrophobicContact CD1-CD2 4.28Å; L584-F588 HydrophobicContact CD1-CE1 4.44Å; L584-F588 HydrophobicContact CD1-CE2 4.4Å; L584-F588 HydrophobicContact CD1-CG 4.25Å; L584-F588 HydrophobicContact CD1-CZ 4.49Å; G585-F588 VanDerWaalsContact O-CD1 3.22Å; G585-F588 WeakPolarHBondContact O-CD1 3.48Å; G585-F588 WeakPolarHBondContact O-CE1 3.42Å
589	R	84.9	Confident	88.6	Confident	72 Å²	72	38 Å²	38	27%	0.272	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.7	167.7	-64.6	-170	170.4	-154.4	-7.8	109	F272 M273 V317 K381 D587	F272-R589 VanDerWaalsContact CA-O 3.28Å; F272-R589 WeakPolarHBondContact CA-O 3.04Å; M273-R589 HydrophobicContact CB-CB 4.29Å; M273-R589 PolarHBondContact N-O 3.25Å; M273-R589 PolarHBondContact O-N 2.99Å; V317-R589 PolarHBondContact O-NH1 2.63Å; K381-R589 VanDerWaalsContact CG-NH2 3.27Å; K381-R589 PolarHBondContact O-NH2 3.32Å; D587-R589 PolarHBondContact O-N 3.29Å
590	C	90.1	Very high	89.1	Confident	24 Å²	24	32.2 Å²	32.2	16%	0.162	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.5	179.3	-172.2	0	0	0	0	108.9	I271 F272 R535 V537	I271-C590 VanDerWaalsContact O-CA 3.31Å; I271-C590 WeakPolarHBondContact O-CA 3.05Å; F272-C590 HydrophobicContact CD1-CB 4.06Å; F272-C590 HydrophobicContact CE1-CB 4.05Å; F272-C590 VanDerWaalsContact CE1-SG 3.56Å; R535-C590 HydrophobicContact CB-CB 3.67Å; R535-C590 HydrophobicContact CG-CB 3.69Å; V537-C590 HydrophobicContact CG1-CB 4.49Å
591	A	94.1	Very high	89.3	Confident	15 Å²	15	36.6 Å²	36.6	12%	0.124	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.9	168.2	0	0	0	0	0	108.9	I271 T319 V321	I271-A591 PolarHBondContact N-O 3.12Å; I271-A591 PolarHBondContact O-N 3.24Å; T319-A591 HydrophobicContact CG2-CB 4.06Å; V321-A591 HydrophobicContact CG2-CB 4.01Å
592	V	96.1	Very high	89.5	Confident	26 Å²	26	40.8 Å²	40.8	16%	0.158	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.1	176.3	-171.9	0	0	0	0	108.5	E268 M269 L270 V321 V537 L539	E268-V592 HydrophobicContact CG-CG1 3.48Å; E268-V592 VanDerWaalsContact CG-CG1 3.48Å; M269-V592 WeakPolarHBondContact O-CA 3.27Å; L270-V592 HydrophobicContact CD2-CG2 3.93Å; V321-V592 VanDerWaalsContact CB-O 3.28Å; V321-V592 WeakPolarHBondContact CB-O 3.46Å; V321-V592 WeakPolarHBondContact CG1-O 3.44Å; V321-V592 VanDerWaalsContact CG2-O 3.28Å; V321-V592 WeakPolarHBondContact CG2-O 3.4Å; V537-V592 HydrophobicContact CB-CG2 3.54Å; V537-V592 HydrophobicContact CG1-CG2 3.8Å; V537-V592 HydrophobicContact CG2-CG2 4.25Å; L539-V592 HydrophobicContact CD1-CG1 3.84Å
593	G	95.3	Very high	89.5	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.4	174.6	0	0	0	0	0	111.2	M269	M269-G593 PolarHBondContact N-O 3.31Å; M269-G593 PolarHBondContact O-N 3.35Å; M269-G593 VanDerWaalsContact O-N 3.14Å
594	K	94.1	Very high	89.3	Confident	71 Å²	71	43.1 Å²	43.1	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.1	174.1	-55	178.4	180	178	0	109.6	E190 K266 E267 E268 N325	E190-K594 IonicContact OE1-NZ 3.64Å; E190-K594 PolarHBondContact OE1-NZ 2.95Å; K266-K594 HydrophobicContact CB-CB 4.17Å; K266-K594 HydrophobicContact CD-CB 4.1Å; K266-K594 HydrophobicContact CG-CB 4.42Å; E267-K594 CarbonylContact O-C 3.52Å; E267-K594 WeakPolarHBondContact O-CA 3.45Å; E268-K594 HydrophobicContact CB-CG 4.34Å; E268-K594 HydrophobicContact CG-CG 4.43Å; N325-K594 PolarHBondContact ND2-O 2.69Å; N325-K594 WeakPolarHBondContact OD1-CA 3.41Å; N325-K594 VanDerWaalsContact OD1-CB 3.29Å; N325-K594 WeakPolarHBondContact OD1-CB 3.42Å; N325-K594 PolarHBondContact OD1-N 2.64Å
595	L	94.4	Very high	89	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	165.9	179.5	-62.8	176	0	0	0	110.7	K266 E267 M269 I271 C296 L307 F362 A364 P597 L600	K266-L595 WeakPolarHBondContact CA-O 3.4Å; E267-L595 PolarHBondContact N-O 3.22Å; E267-L595 PolarHBondContact O-N 3.19Å; M269-L595 HydrophobicContact CE-CB 4.47Å; M269-L595 HydrophobicContact SD-CB 4.08Å; M269-L595 HydrophobicContact SD-CD1 4.43Å; I271-L595 HydrophobicContact CD1-CD1 3.95Å; I271-L595 HydrophobicContact CD1-CG 4.39Å; I271-L595 HydrophobicContact CG1-CD1 3.98Å; C296-L595 HydrophobicContact CB-CD1 4.07Å; L307-L595 HydrophobicContact CD1-CD1 4.23Å; L307-L595 HydrophobicContact CD2-CD1 4.39Å; F362-L595 HydrophobicContact CD1-CD2 4.37Å; F362-L595 HydrophobicContact CE1-CD2 4.09Å; A364-L595 HydrophobicContact CB-CD2 3.92Å; L595-P597 WeakPolarHBondContact O-CD 3.24Å; L595-L600 HydrophobicContact CB-CD1 4.07Å; L595-L600 HydrophobicContact CD1-CD1 4.18Å
596	Y	93.1	Very high	88.6	Confident	5 Å²	5	53 Å²	53	2%	0.02	27%	0.272	C	S	.	.			trans	-99.5	107.3	-179.7	-44.7	-75	0	0	0	109.7	N188 L262 K266 A364 S598 C599	N188-Y596 PolarHBondContact OD1-OH 3.26Å; L262-Y596 HydrophobicContact CD1-CD1 3.81Å; L262-Y596 HydrophobicContact CD1-CE1 4.41Å; L262-Y596 HydrophobicContact CD1-CG 3.87Å; L262-Y596 HydrophobicContact CD2-CD1 4.46Å; L262-Y596 HydrophobicContact CD2-CD2 4.41Å; L262-Y596 HydrophobicContact CD2-CE1 4.35Å; L262-Y596 HydrophobicContact CD2-CE2 4.33Å; L262-Y596 HydrophobicContact CD2-CG 4.48Å; L262-Y596 HydrophobicContact CG-CD1 3.68Å; L262-Y596 HydrophobicContact CG-CD2 4.44Å; L262-Y596 HydrophobicContact CG-CE1 3.76Å; L262-Y596 HydrophobicContact CG-CG 4.03Å; L262-Y596 VanDerWaalsContact O-CD1 3.31Å; L262-Y596 WeakPolarHBondContact O-CD1 3.36Å; L262-Y596 WeakPolarHBondContact O-CE1 3.39Å; K266-Y596 HydrophobicContact CD-CE1 3.88Å; K266-Y596 WeakPolarHBondContact CE-OH 3.3Å; K266-Y596 HydrophobicContact CG-CD1 3.57Å; K266-Y596 HydrophobicContact CG-CE1 3.3Å; K266-Y596 PolarHBondContact NZ-OH 2.92Å; A364-Y596 HydrophobicContact CB-CD2 3.92Å; A364-Y596 HydrophobicContact CB-CE2 3.76Å; Y596-S598 PolarHBondContact O-N 2.9Å; Y596-S598 VanDerWaalsContact O-N 3.1Å; Y596-C599 PolarHBondContact O-N 3.21Å
597	P	92.9	Very high	88.4	Confident	23 Å²	23	48.5 Å²	48.5	15%	0.149	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-52.7	-35.7	177.7	-24.3	30.5	0	0	0	113.1	T265 E267 M269 Y305 L595 C599 L600	T265-P597 VanDerWaalsContact O-CD 3.27Å; T265-P597 WeakPolarHBondContact O-CD 3.42Å; E267-P597 HydrophobicContact CB-CG 4.26Å; E267-P597 HydrophobicContact CG-CG 3.87Å; M269-P597 HydrophobicContact CE-CB 4.31Å; M269-P597 HydrophobicContact CE-CG 3.61Å; Y305-P597 HydrophobicContact CE1-CB 4.19Å; L595-P597 WeakPolarHBondContact O-CD 3.24Å; P597-C599 PolarHBondContact O-N 2.92Å; P597-L600 PolarHBondContact O-N 3.48Å
598	S	91.3	Very high	88.1	Confident	90 Å²	90	46.2 Å²	46.2	63%	0.629	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-68.8	-16.5	179.6	56.7	0	0	0	0	115.1	Y596	Y596-S598 PolarHBondContact O-N 2.9Å; Y596-S598 VanDerWaalsContact O-N 3.1Å
599	C	92.1	Very high	87.1	Confident	33 Å²	33	52.1 Å²	52.1	22%	0.223	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-98	-2.6	177.4	-65.8	0	0	0	0	112.5	A364 Q365 Y596 P597	A364-C599 WeakPolarHBondContact O-CB 3.46Å; Q365-C599 PolarHBondContact O-SG 3.26Å; Y596-C599 PolarHBondContact O-N 3.21Å; P597-C599 PolarHBondContact O-N 2.92Å
600	L	93.2	Very high	86	Confident	20 Å²	20	56.4 Å²	56.4	11%	0.105	30%	0.298	C	S	.	.	S	Bend	trans	-116.2	152.7	-175.2	-57.7	175.2	0	0	0	111.2	M269 Y305 L307 N367 L595 P597	M269-L600 HydrophobicContact SD-CD1 4.43Å; Y305-L600 HydrophobicContact CD1-CB 4.05Å; Y305-L600 HydrophobicContact CG-CB 4.17Å; Y305-L600 HydrophobicContact CG-CD1 4.33Å; L307-L600 HydrophobicContact CD1-CD2 4.49Å; L307-L600 HydrophobicContact CG-CD2 4.44Å; N367-L600 HydrophobicContact CB-CD2 4.27Å; L595-L600 HydrophobicContact CB-CD1 4.07Å; L595-L600 HydrophobicContact CD1-CD1 4.18Å; P597-L600 PolarHBondContact O-N 3.48Å
601	E	91.6	Very high	84.3	Confident	127 Å²	127	58.3 Å²	58.3	59%	0.593	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.3	173.5	-171.6	-174.6	161.9	0	0	109.5	Y305 K306	Y305-E601 CarbonylContact C-O 3.5Å; Y305-E601 VanDerWaalsContact CA-O 3.25Å; Y305-E601 WeakPolarHBondContact CA-O 3.47Å; K306-E601 PolarHBondContact N-O 3.22Å
602	E	92.3	Very high	82.5	Confident	92 Å²	92	61.2 Å²	61.2	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.4	173.6	-171.8	172.6	163.3	0	0	110.1	K303 Y305	K303-E602 WeakPolarHBondContact CD-OE1 3.18Å; K303-E602 WeakPolarHBondContact CE-OE1 3.46Å; K303-E602 VanDerWaalsContact NZ-CD 3.25Å; K303-E602 IonicContact NZ-OE1 3.36Å; K303-E602 PolarHBondContact NZ-OE1 3.32Å; K303-E602 IonicContact NZ-OE2 2.69Å; K303-E602 PolarHBondContact NZ-OE2 2.9Å; Y305-E602 HydrophobicContact CD1-CB 4.1Å; Y305-E602 HydrophobicContact CE1-CB 4.08Å; Y305-E602 HydrophobicContact CE1-CG 4.37Å
603	S	88.7	Confident	80	Confident	15 Å²	15	63.5 Å²	63.5	11%	0.105	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-65.9	131.6	177.1	174.3	0	0	0	0	110.3	E278 V304 W605	E278-S603 PolarHBondContact OE2-OG 2.85Å; V304-S603 PolarHBondContact O-N 3.12Å; S603-W605 PolarHBondContact O-N 2.78Å; S603-W605 WeakPolarHBondContact OG-CB 3.45Å; S603-W605 PolarHBondContact OG-N 2.77Å
604	P	83.3	Confident	77.6	Confident	84 Å²	84	68.7 Å²	68.7	55%	0.545	37%	0.366	S	S	.	.			trans	-81	12.3	175.8	36.6	-36.8	0	0	0	112.7	K606	P604-K606 PolarHBondContact O-N 3.49Å
605	W	82.5	Confident	75.1	Confident	43 Å²	43	72.6 Å²	72.6	16%	0.163	39%	0.39	C	S	.	.			trans	-47.8	125.8	-172.6	169.8	-110.6	0	0	0	111.7	E278 E578 R579 W582 S603 P607 P608	E278-W605 HydrophobicContact CG-CB 4.31Å; E278-W605 HydrophobicContact CG-CD2 4.18Å; E278-W605 HydrophobicContact CG-CE3 3.31Å; E278-W605 HydrophobicContact CG-CZ3 3.93Å; E278-W605 WeakPolarHBondContact O-CZ3 3.32Å; E278-W605 WeakPolarHBondContact OE1-CA 3.24Å; E278-W605 PolarHBondContact OE1-N 2.87Å; E578-W605 PolarHBondContact O-NE1 2.87Å; R579-W605 VanDerWaalsContact O-CD1 3.29Å; W582-W605 HydrophobicContact CB-CD2 4.03Å; W582-W605 HydrophobicContact CB-CE3 4.31Å; W582-W605 HydrophobicContact CB-CH2 3.72Å; W582-W605 HydrophobicContact CB-CZ2 3.46Å; W582-W605 VanDerWaalsContact CB-CZ2 3.46Å; W582-W605 HydrophobicContact CB-CZ3 4.15Å; W582-W605 HydrophobicContact CE3-CB 4.11Å; W582-W605 HydrophobicContact CE3-CD2 4.21Å; W582-W605 AromaticContact CE3-CG 3.99Å; W582-W605 HydrophobicContact CE3-CG 3.99Å; W582-W605 HydrophobicContact CZ3-CB 4.3Å; S603-W605 PolarHBondContact O-N 2.78Å; S603-W605 WeakPolarHBondContact OG-CB 3.45Å; S603-W605 PolarHBondContact OG-N 2.77Å; W605-P607 HydrophobicContact CZ2-CB 4.13Å; W605-P608 VanDerWaalsContact CH2-CD 3.46Å; W605-P608 HydrophobicContact CH2-CG 4.28Å
606	K	75.1	Confident	72.7	Confident	169 Å²	169	75.1 Å²	75.1	74%	0.735	42%	0.417	S	S	*	.			trans	-126.8	128.3	166.8	-68.4	-178.3	-175.4	-179.6	0	106.9	P604	P604-K606 PolarHBondContact O-N 3.49Å
607	P	72.9	Confident	70.2	Confident	23 Å²	23	76.3 Å²	76.3	15%	0.149	43%	0.431	C	S	.	.			trans	-64	136.3	-179.2	29.6	-37.2	0	0	0	109.5	R579 W605 T609 F612	R579-P607 HydrophobicContact CB-CG 4.26Å; R579-P607 HydrophobicContact CG-CG 4.1Å; W605-P607 HydrophobicContact CZ2-CB 4.13Å; P607-T609 PolarHBondContact O-N 2.96Å; P607-F612 HydrophobicContact CB-CE2 3.48Å; P607-F612 VanDerWaalsContact CB-CE2 3.48Å; P607-F612 HydrophobicContact CB-CZ 3.77Å; P607-F612 HydrophobicContact CG-CE2 3.34Å; P607-F612 HydrophobicContact CG-CZ 3.51Å
608	P	68.6	Low	67.9	Low	34 Å²	34	81.5 Å²	81.5	22%	0.221	45%	0.453	C	S	.	.			trans	-51.7	137.4	-179.2	-25.5	24.1	0	0	0	112.8	W605 Y610 L611	W605-P608 VanDerWaalsContact CH2-CD 3.46Å; W605-P608 HydrophobicContact CH2-CG 4.28Å; P608-Y610 HydrophobicContact CB-CD1 3.7Å; P608-Y610 HydrophobicContact CB-CE1 3.22Å; P608-Y610 HydrophobicContact CB-CE2 4.09Å; P608-Y610 HydrophobicContact CB-CG 4.32Å; P608-Y610 VanDerWaalsContact CB-CZ 3.42Å; P608-Y610 HydrophobicContact CG-CE1 4.05Å; P608-Y610 PolarHBondContact O-N 3.19Å; P608-L611 HydrophobicContact CB-CD1 4.17Å; P608-L611 HydrophobicContact CB-CG 4.22Å; P608-L611 HydrophobicContact CG-CD1 3.92Å; P608-L611 HydrophobicContact CG-CG 4.44Å; P608-L611 VanDerWaalsContact O-CB 3.29Å; P608-L611 WeakPolarHBondContact O-CB 3.29Å; P608-L611 PolarHBondContact O-N 3.11Å
609	T	62.4	Low	65.4	Low	125 Å²	125	83 Å²	83	77%	0.767	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-60.9	-29.9	-174.9	47.5	0	0	0	0	113.3	P607 L611 F612	P607-T609 PolarHBondContact O-N 2.96Å; T609-L611 PolarHBondContact O-N 3.17Å; T609-F612 CarbonylContact O-C 3.36Å; T609-F612 PolarHBondContact O-N 3.42Å
610	Y	61.4	Low	63.2	Low	162 Å²	162	86.2 Å²	86.2	64%	0.635	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-69	-16.1	175.6	63.5	-102	0	0	0	113.9	P608 F612	P608-Y610 HydrophobicContact CB-CD1 3.7Å; P608-Y610 HydrophobicContact CB-CE1 3.22Å; P608-Y610 HydrophobicContact CB-CE2 4.09Å; P608-Y610 HydrophobicContact CB-CG 4.32Å; P608-Y610 VanDerWaalsContact CB-CZ 3.42Å; P608-Y610 HydrophobicContact CG-CE1 4.05Å; P608-Y610 PolarHBondContact O-N 3.19Å; Y610-F612 PolarHBondContact O-N 3.44Å
611	L	54.4	Low	60.6	Low	64 Å²	64	92.6 Å²	92.6	34%	0.335	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-74.2	-10.3	171.1	-63.9	173.3	0	0	0	112.1	R555 P608 T609	R555-L611 PolarHBondContact NH1-O 3.28Å; P608-L611 HydrophobicContact CB-CD1 4.17Å; P608-L611 HydrophobicContact CB-CG 4.22Å; P608-L611 HydrophobicContact CG-CD1 3.92Å; P608-L611 HydrophobicContact CG-CG 4.44Å; P608-L611 VanDerWaalsContact O-CB 3.29Å; P608-L611 WeakPolarHBondContact O-CB 3.29Å; P608-L611 PolarHBondContact O-N 3.11Å; T609-L611 PolarHBondContact O-N 3.17Å
612	F	56.7	Low	58.1	Low	76 Å²	76	90.7 Å²	90.7	33%	0.333	49%	0.487	S	S	.	.	S	Bend	trans	-126	78.1	173.8	-48.2	-87.8	0	0	0	107.7	R555 P607 T609 Y610	R555-F612 VanDerWaalsContact NH2-CE1 3.33Å; P607-F612 HydrophobicContact CB-CE2 3.48Å; P607-F612 VanDerWaalsContact CB-CE2 3.48Å; P607-F612 HydrophobicContact CB-CZ 3.77Å; P607-F612 HydrophobicContact CG-CE2 3.34Å; P607-F612 HydrophobicContact CG-CZ 3.51Å; T609-F612 CarbonylContact O-C 3.36Å; T609-F612 PolarHBondContact O-N 3.42Å; Y610-F612 PolarHBondContact O-N 3.44Å
613	S	43.5	Very low	55.5	Low	73 Å²	73	94.4 Å²	94.4	51%	0.51	51%	0.51	S	S	.	.			trans	-60.4	139.8	172.8	-156	0	0	0	0	109.5	D615 G616	S613-D615 PolarHBondContact O-N 3.3Å; S613-G616 PolarHBondContact O-N 3.16Å
614	P	44.8	Very low	53.3	Low	111 Å²	111	96.5 Å²	96.5	72%	0.721	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.8	178.2	-18.7	31.5	0	0	0	114
615	D	42.5	Very low	50.9	Low	153 Å²	153	99.7 Å²	99.7	82%	0.818	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1.4	-175.8	-59.6	-36.9	0	0	0	113.9	S613	S613-D615 PolarHBondContact O-N 3.3Å
616	G	44.2	Very low	48.9	Very low	56 Å²	56	103.2 Å²	103.2	58%	0.577	56%	0.563	S	S	*	*			trans	-99.1	93.9	177.4	0	0	0	0	0	111	S613 E618	S613-G616 PolarHBondContact O-N 3.16Å; G616-E618 PolarHBondContact O-N 2.93Å
617	G	39.8	Very low	47.3	Very low	30 Å²	30	98.6 Å²	98.6	31%	0.309	55%	0.549	S	S	.	.			trans	-55.2	136.8	166	0	0	0	0	0	109.9	E619	G617-E619 PolarHBondContact O-N 3.46Å
618	E	44.2	Very low	45.7	Very low	131 Å²	131	101.6 Å²	101.6	61%	0.612	57%	0.567	S	S	*	*			trans	-61.6	104.5	170	-71.7	-174.3	164.8	0	0	107.6	G616 F620	G616-E618 PolarHBondContact O-N 2.93Å; E618-F620 HydrophobicContact CB-CD2 4.32Å; E618-F620 HydrophobicContact CB-CE2 3.52Å; E618-F620 HydrophobicContact CB-CZ 3.89Å; E618-F620 VanDerWaalsContact O-CD2 3.28Å; E618-F620 WeakPolarHBondContact O-CD2 3.38Å; E618-F620 WeakPolarHBondContact O-CE2 3.48Å; E618-F620 WeakPolarHBondContact OE2-CZ 3.28Å
619	E	39.9	Very low	44.4	Very low	123 Å²	123	105.7 Å²	105.7	58%	0.575	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.3	119.4	173.7	-72	-176.4	171.7	0	0	108.7	G617 L626 T628	G617-E619 PolarHBondContact O-N 3.46Å; E619-L626 HydrophobicContact CB-CD2 3.89Å; E619-T628 HydrophobicContact CG-CG2 3.74Å
620	F	45.9	Very low	43.2	Very low	99 Å²	99	105.1 Å²	105.1	43%	0.434	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	134	173.2	-63.2	-89.3	0	0	0	109	E618 V627 L629	E618-F620 HydrophobicContact CB-CD2 4.32Å; E618-F620 HydrophobicContact CB-CE2 3.52Å; E618-F620 HydrophobicContact CB-CZ 3.89Å; E618-F620 VanDerWaalsContact O-CD2 3.28Å; E618-F620 WeakPolarHBondContact O-CD2 3.38Å; E618-F620 WeakPolarHBondContact O-CE2 3.48Å; E618-F620 WeakPolarHBondContact OE2-CZ 3.28Å; F620-V627 PolarHBondContact N-O 3.07Å; F620-V627 VanDerWaalsContact N-O 3.11Å; F620-V627 PolarHBondContact O-N 3.29Å; F620-L629 HydrophobicContact CD2-CD1 4.4Å; F620-L629 HydrophobicContact CE2-CD1 4.24Å
621	E	38.5	Very low	42.2	Very low	154 Å²	154	105 Å²	105	72%	0.72	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.2	112.4	173.9	-165.1	177.9	-171.8	0	0	108.6
622	V	37.6	Very low	41.3	Very low	88 Å²	88	112.1 Å²	112.1	53%	0.533	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.8	122.3	174.2	-177.5	0	0	0	0	107.5	G624 E625	V622-G624 PolarHBondContact O-N 3.48Å; V622-G624 VanDerWaalsContact O-N 3.11Å; V622-E625 PolarHBondContact N-O 3.04Å; V622-E625 VanDerWaalsContact N-O 3.17Å; V622-E625 PolarHBondContact O-N 3.11Å; V622-E625 VanDerWaalsContact O-N 3.16Å
623	D	37.6	Very low	40.5	Very low	169 Å²	169	114 Å²	114	90%	0.904	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.9	33.6	-179.9	-65.8	-29.3	0	0	0	115.4
624	G	43.4	Very low	40.3	Very low	60 Å²	60	116.1 Å²	116.1	62%	0.619	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.3	7	175.4	0	0	0	0	0	115.2	V622	V622-G624 PolarHBondContact O-N 3.48Å; V622-G624 VanDerWaalsContact O-N 3.11Å
625	E	33.4	Very low	40.1	Very low	151 Å²	151	116.4 Å²	116.4	71%	0.706	65%	0.654	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.3	138.5	168.5	-70.4	-169.7	163.8	0	0	111	V622 V627	V622-E625 PolarHBondContact N-O 3.04Å; V622-E625 VanDerWaalsContact N-O 3.17Å; V622-E625 PolarHBondContact O-N 3.11Å; V622-E625 VanDerWaalsContact O-N 3.16Å; E625-V627 PolarHBondContact O-N 2.94Å
626	L	39.3	Very low	39.9	Very low	116 Å²	116	114.2 Å²	114.2	61%	0.607	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.8	116.2	175.2	-75.5	159	0	0	0	108.9	E619	E619-L626 HydrophobicContact CB-CD2 3.89Å
627	V	42.9	Very low	39.7	Very low	73 Å²	73	117.9 Å²	117.9	44%	0.442	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	126.6	177.9	-175.4	0	0	0	0	109.4	F620 E625	F620-V627 PolarHBondContact N-O 3.07Å; F620-V627 VanDerWaalsContact N-O 3.11Å; F620-V627 PolarHBondContact O-N 3.29Å; E625-V627 PolarHBondContact O-N 2.94Å
628	T	38.4	Very low	39.7	Very low	86 Å²	86	123.7 Å²	123.7	53%	0.528	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.8	125.9	171.8	32.5	0	0	0	0	109.9	E619	E619-T628 HydrophobicContact CG-CG2 3.74Å
629	L	42.2	Very low	39.3	Very low	119 Å²	119	123.2 Å²	123.2	62%	0.623	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-83.3	135.8	171.3	-74	169	0	0	0	110.1	F620	F620-L629 HydrophobicContact CD2-CD1 4.4Å; F620-L629 HydrophobicContact CE2-CD1 4.24Å
630	P	36.1	Very low	39.3	Very low	113 Å²	113	123.2 Å²	123.2	73%	0.734	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-72.6	146	173.2	29.5	-32.5	0	0	0	111.2
631	H	39.9	Very low	38.7	Very low	159 Å²	159	125.3 Å²	125.3	74%	0.736	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.6	139.8	-176.9	-63.7	-71.3	0	0	0	113.3
632	V	35.3	Very low	38.7	Very low	215 Å²	215	122.6 Å²	122.6	100%	1.303	70%	0.703	S	S	*	*			trans	-104.4	0	162.5	-178.8	0	0	0	0	109.4

Retrieved 632 of 632 residues in 1244.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).