G4VM63_SCHMA Loading...

Putative rpa-interacting protein

AlphaFold DB , UniProt , Accession G4VM63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 241 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	52.1	Low	250 Å²	250	140.5 Å²	140.5	100%	1.232	66%	0.663	S	S	*	*				0	130.9	0	-89.2	179.7	166.8	0	0	108.4
2	N	55.9	Low	52	Low	107 Å²	107	137.3 Å²	137.3	57%	0.572	65%	0.645	S	S	*	*			trans	-80.5	118.3	-155	-154.9	-11.8	0	0	0	110.9	H4 K5	N2-H4 PolarHBondContact O-N 2.98Å; N2-K5 HydrophobicContact CB-CG 4.46Å; N2-K5 PolarHBondContact O-N 3.44Å
3	K	53	Low	52	Low	169 Å²	169	138.5 Å²	138.5	74%	0.735	65%	0.65	S	S	*	*	H	α-helix	trans	-48.6	-28.6	175.9	-93.5	178.6	173.9	177.6	0	112.6	E6 L7	K3-E6 PolarHBondContact O-N 2.8Å; K3-L7 WeakPolarHBondContact O-CB 3.1Å; K3-L7 PolarHBondContact O-N 2.95Å
4	H	47.8	Very low	51.9	Low	126 Å²	126	141.4 Å²	141.4	58%	0.583	66%	0.663	S	S	*	*	H	α-helix	trans	-61.6	-40.3	173.2	-108.1	-87.1	0	0	0	114	N2 L7 Y8	N2-H4 PolarHBondContact O-N 2.98Å; H4-L7 PolarHBondContact O-N 2.89Å; H4-Y8 WeakPolarHBondContact O-CB 3.34Å; H4-Y8 PolarHBondContact O-N 3.47Å
5	K	53	Low	51.9	Low	165 Å²	165	139.1 Å²	139.1	72%	0.717	65%	0.65	S	S	*	*	H	α-helix	trans	-69.6	-36.6	178.5	-75.6	-170.4	175.3	-173.8	0	111.8	N2 Y8 A9	N2-K5 HydrophobicContact CB-CG 4.46Å; N2-K5 PolarHBondContact O-N 3.44Å; K5-Y8 PolarHBondContact O-N 3.46Å; K5-A9 WeakPolarHBondContact O-CB 3.47Å; K5-A9 PolarHBondContact O-N 3.47Å
6	E	53.4	Low	51.9	Low	147 Å²	147	138.7 Å²	138.7	69%	0.687	65%	0.648	S	S	*	*	H	α-helix	trans	-68.8	-42.4	173.3	-83.7	-177.1	158	0	0	112	K3 Y8 A9 K10	K3-E6 PolarHBondContact O-N 2.8Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 2.89Å; E6-A9 PolarHBondContact O-N 2.9Å; E6-K10 WeakPolarHBondContact O-CB 3.23Å; E6-K10 PolarHBondContact O-N 3.49Å
7	L	54.3	Low	52	Low	97 Å²	97	137.5 Å²	137.5	51%	0.508	65%	0.647	S	S	.	*	H	α-helix	trans	-60.8	-41.9	173.7	-82.5	163.3	0	0	0	111.4	K3 H4 H11	K3-L7 WeakPolarHBondContact O-CB 3.1Å; K3-L7 PolarHBondContact O-N 2.95Å; H4-L7 PolarHBondContact O-N 2.89Å; L7-H11 WeakPolarHBondContact O-CB 3.47Å; L7-H11 PolarHBondContact O-N 2.88Å
8	Y	47.8	Very low	52.1	Low	127 Å²	127	135.9 Å²	135.9	50%	0.498	64%	0.64	S	S	.	*	H	α-helix	trans	-65.2	-49.5	176.8	-119.9	-94.3	0	0	0	112.1	H4 K5 E6 K10 H11 F12	H4-Y8 WeakPolarHBondContact O-CB 3.34Å; H4-Y8 PolarHBondContact O-N 3.47Å; K5-Y8 PolarHBondContact O-N 3.46Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 2.89Å; Y8-K10 VanDerWaalsContact C-N 3.29Å; Y8-K10 PolarHBondContact O-N 3.45Å; Y8-H11 PolarHBondContact O-N 3.35Å; Y8-F12 HydrophobicContact CD1-CB 4.18Å; Y8-F12 AromaticContact CD1-CD2 3.84Å; Y8-F12 HydrophobicContact CD1-CD2 3.84Å; Y8-F12 HydrophobicContact CD1-CE2 4.35Å; Y8-F12 AromaticContact CD1-CG 3.96Å; Y8-F12 HydrophobicContact CD1-CG 3.96Å; Y8-F12 HydrophobicContact CD2-CD2 4.33Å; Y8-F12 HydrophobicContact CD2-CE2 4.14Å; Y8-F12 HydrophobicContact CE1-CD1 4.24Å; Y8-F12 HydrophobicContact CE1-CD2 4.16Å; Y8-F12 HydrophobicContact CE1-CE1 4.5Å; Y8-F12 HydrophobicContact CE1-CE2 4.4Å; Y8-F12 HydrophobicContact CE1-CG 4.05Å; Y8-F12 HydrophobicContact CE2-CE2 4.18Å; Y8-F12 HydrophobicContact CE2-CZ 4.4Å; Y8-F12 AromaticContact CG-CD2 3.95Å; Y8-F12 HydrophobicContact CG-CD2 3.95Å; Y8-F12 HydrophobicContact CG-CE2 4.24Å; Y8-F12 VanDerWaalsContact O-CB 3.23Å; Y8-F12 WeakPolarHBondContact O-CB 3.39Å; Y8-F12 WeakPolarHBondContact O-CD2 3.33Å; Y8-F12 PolarHBondContact O-N 2.98Å
9	A	56.2	Low	52.1	Low	43 Å²	43	134.7 Å²	134.7	36%	0.355	63%	0.628	S	S	.	*	H	α-helix	trans	-61.1	-40.2	178.1	0	0	0	0	0	111.8	K5 E6 Q13	K5-A9 WeakPolarHBondContact O-CB 3.47Å; K5-A9 PolarHBondContact O-N 3.47Å; E6-A9 PolarHBondContact O-N 2.9Å; A9-Q13 WeakPolarHBondContact O-CB 2.98Å
10	K	56.6	Low	52.1	Low	184 Å²	184	133.4 Å²	133.4	80%	0.8	62%	0.62	S	S	*	*	H	α-helix	trans	-76.3	-29.8	-175.9	-156.4	176.1	-171.1	-179.8	0	113.5	E6 Y8	E6-K10 WeakPolarHBondContact O-CB 3.23Å; E6-K10 PolarHBondContact O-N 3.49Å; Y8-K10 VanDerWaalsContact C-N 3.29Å; Y8-K10 PolarHBondContact O-N 3.45Å
11	H	52.1	Low	52.5	Low	130 Å²	130	132.3 Å²	132.3	60%	0.602	62%	0.619	S	S	*	*	H	α-helix	trans	-96.7	-28.2	178.8	-88.7	-63.9	0	0	0	114.8	L7 Y8	L7-H11 WeakPolarHBondContact O-CB 3.47Å; L7-H11 PolarHBondContact O-N 2.88Å; Y8-H11 PolarHBondContact O-N 3.35Å
12	F	50.7	Low	53.2	Low	102 Å²	102	124.8 Å²	124.8	45%	0.447	58%	0.584	S	S	.	*	H	α-helix	trans	-110	-16.1	-164.9	-65	-98.3	0	0	0	115	Y8 H14	Y8-F12 HydrophobicContact CD1-CB 4.18Å; Y8-F12 AromaticContact CD1-CD2 3.84Å; Y8-F12 HydrophobicContact CD1-CD2 3.84Å; Y8-F12 HydrophobicContact CD1-CE2 4.35Å; Y8-F12 AromaticContact CD1-CG 3.96Å; Y8-F12 HydrophobicContact CD1-CG 3.96Å; Y8-F12 HydrophobicContact CD2-CD2 4.33Å; Y8-F12 HydrophobicContact CD2-CE2 4.14Å; Y8-F12 HydrophobicContact CE1-CD1 4.24Å; Y8-F12 HydrophobicContact CE1-CD2 4.16Å; Y8-F12 HydrophobicContact CE1-CE1 4.5Å; Y8-F12 HydrophobicContact CE1-CE2 4.4Å; Y8-F12 HydrophobicContact CE1-CG 4.05Å; Y8-F12 HydrophobicContact CE2-CE2 4.18Å; Y8-F12 HydrophobicContact CE2-CZ 4.4Å; Y8-F12 AromaticContact CG-CD2 3.95Å; Y8-F12 HydrophobicContact CG-CD2 3.95Å; Y8-F12 HydrophobicContact CG-CE2 4.24Å; Y8-F12 VanDerWaalsContact O-CB 3.23Å; Y8-F12 WeakPolarHBondContact O-CB 3.39Å; Y8-F12 WeakPolarHBondContact O-CD2 3.33Å; Y8-F12 PolarHBondContact O-N 2.98Å; F12-H14 PolarHBondContact O-N 3.47Å
13	Q	52.2	Low	53.2	Low	153 Å²	153	123.9 Å²	123.9	72%	0.715	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-14.1	178.3	-83.7	-177.9	-24	0	0	114.9	A9	A9-Q13 WeakPolarHBondContact O-CB 2.98Å
14	H	49.5	Very low	53.4	Low	179 Å²	179	120.7 Å²	120.7	83%	0.829	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	4.9	-175.3	-83.5	-63.4	0	0	0	115.1	F12	F12-H14 PolarHBondContact O-N 3.47Å
15	K	52.4	Low	54.1	Low	108 Å²	108	120.9 Å²	120.9	47%	0.47	57%	0.565	S	S	.	*			trans	-134.3	27.7	-170.2	-74.4	-174.1	172.2	-127.2	0	113.9	N17 E18 W19	K15-N17 PolarHBondContact O-N 3.21Å; K15-E18 HydrophobicContact CB-CB 4.19Å; K15-E18 WeakPolarHBondContact CD-OE2 3.26Å; K15-E18 WeakPolarHBondContact CE-OE2 3.06Å; K15-E18 WeakPolarHBondContact CG-OE2 3.26Å; K15-E18 IonicContact NZ-OE2 3.91Å; K15-E18 PolarHBondContact NZ-OE2 3.48Å; K15-E18 PolarHBondContact O-N 2.93Å; K15-W19 VanDerWaalsContact O-CD1 3.32Å; K15-W19 PolarHBondContact O-N 3.08Å; K15-W19 VanDerWaalsContact O-N 3.14Å
16	E	51.8	Low	54.4	Low	132 Å²	132	120.9 Å²	120.9	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-58.9	-25.5	-172.4	-151.1	174.2	-166.4	0	0	114	W19	E16-W19 VanDerWaalsContact C-CD1 3.45Å; E16-W19 PolarHBondContact O-NE1 3.46Å
17	N	53.4	Low	54.4	Low	119 Å²	119	116.7 Å²	116.7	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-90.4	-33.4	174	-65.8	-21.5	0	0	0	112.9	K15 W19 K20 D21	K15-N17 PolarHBondContact O-N 3.21Å; N17-W19 VanDerWaalsContact C-N 3.34Å; N17-W19 PolarHBondContact O-N 2.88Å; N17-K20 PolarHBondContact O-N 3.19Å; N17-D21 PolarHBondContact O-N 2.96Å; N17-D21 VanDerWaalsContact O-N 3.14Å
18	E	55.2	Low	54.6	Low	109 Å²	109	115.7 Å²	115.7	51%	0.509	53%	0.533	S	S	.	.	H	α-helix	trans	-68.7	-31	-179.3	-66.6	-174.4	-179	0	0	112.6	K15 L22	K15-E18 HydrophobicContact CB-CB 4.19Å; K15-E18 WeakPolarHBondContact CD-OE2 3.26Å; K15-E18 WeakPolarHBondContact CE-OE2 3.06Å; K15-E18 WeakPolarHBondContact CG-OE2 3.26Å; K15-E18 IonicContact NZ-OE2 3.91Å; K15-E18 PolarHBondContact NZ-OE2 3.48Å; K15-E18 PolarHBondContact O-N 2.93Å; E18-L22 VanDerWaalsContact O-CB 3.32Å; E18-L22 WeakPolarHBondContact O-CB 3.38Å; E18-L22 PolarHBondContact O-N 3.26Å
19	W	51.4	Low	55.2	Low	112 Å²	112	114.6 Å²	114.6	42%	0.424	53%	0.533	S	S	.	.	H	α-helix	trans	-74	-36	176.2	76.1	-99.3	0	0	0	112.2	K15 E16 N17 D21 L22 L23	K15-W19 VanDerWaalsContact O-CD1 3.32Å; K15-W19 PolarHBondContact O-N 3.08Å; K15-W19 VanDerWaalsContact O-N 3.14Å; E16-W19 VanDerWaalsContact C-CD1 3.45Å; E16-W19 PolarHBondContact O-NE1 3.46Å; N17-W19 VanDerWaalsContact C-N 3.34Å; N17-W19 PolarHBondContact O-N 2.88Å; W19-D21 VanDerWaalsContact C-N 3.33Å; W19-L22 PolarHBondContact O-N 2.8Å; W19-L23 HydrophobicContact CE3-CD1 3.34Å; W19-L23 HydrophobicContact CE3-CG 4.01Å; W19-L23 HydrophobicContact CZ3-CD1 3.38Å; W19-L23 HydrophobicContact CZ3-CG 4.45Å; W19-L23 WeakPolarHBondContact O-CB 3.17Å; W19-L23 WeakPolarHBondContact O-CG 3.19Å; W19-L23 PolarHBondContact O-N 3.33Å
20	K	51.6	Low	55.1	Low	108 Å²	108	115 Å²	115	47%	0.47	53%	0.534	S	S	.	.	H	α-helix	trans	-60.9	-46.4	174.6	-71.4	-176	179.7	-176.6	0	110.1	N17 L22 L23 H24	N17-K20 PolarHBondContact O-N 3.19Å; K20-L22 VanDerWaalsContact C-N 3.34Å; K20-L22 PolarHBondContact O-N 2.88Å; K20-L23 PolarHBondContact O-N 2.76Å; K20-H24 WeakPolarHBondContact O-CB 3.35Å; K20-H24 PolarHBondContact O-N 3.03Å
21	D	61.2	Low	55.1	Low	111 Å²	111	110.8 Å²	110.8	59%	0.594	52%	0.518	S	S	*	.	H	α-helix	trans	-62.3	-40.5	175.7	-70.6	-21.9	0	0	0	112.2	N17 W19 K25	N17-D21 PolarHBondContact O-N 2.96Å; N17-D21 VanDerWaalsContact O-N 3.14Å; W19-D21 VanDerWaalsContact C-N 3.33Å; D21-K25 WeakPolarHBondContact O-CB 3.38Å; D21-K25 PolarHBondContact O-N 3.1Å
22	L	58.6	Low	55.4	Low	93 Å²	93	111.4 Å²	111.4	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-69.2	-41.8	179.4	-171.9	131.7	0	0	0	112.6	E18 W19 K20 R26	E18-L22 VanDerWaalsContact O-CB 3.32Å; E18-L22 WeakPolarHBondContact O-CB 3.38Å; E18-L22 PolarHBondContact O-N 3.26Å; W19-L22 PolarHBondContact O-N 2.8Å; K20-L22 VanDerWaalsContact C-N 3.34Å; K20-L22 PolarHBondContact O-N 2.88Å; L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 WeakPolarHBondContact O-CG 3.04Å; L22-R26 PolarHBondContact O-N 2.72Å
23	L	54.7	Low	55.9	Low	88 Å²	88	112.6 Å²	112.6	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-67.6	-45.2	174.2	-76.3	-173	0	0	0	111.4	W19 K20 K25 R26 F27	W19-L23 HydrophobicContact CE3-CD1 3.34Å; W19-L23 HydrophobicContact CE3-CG 4.01Å; W19-L23 HydrophobicContact CZ3-CD1 3.38Å; W19-L23 HydrophobicContact CZ3-CG 4.45Å; W19-L23 WeakPolarHBondContact O-CB 3.17Å; W19-L23 WeakPolarHBondContact O-CG 3.19Å; W19-L23 PolarHBondContact O-N 3.33Å; K20-L23 PolarHBondContact O-N 2.76Å; L23-K25 VanDerWaalsContact C-N 3.29Å; L23-K25 PolarHBondContact O-N 3.02Å; L23-R26 PolarHBondContact O-N 3.23Å; L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.26Å; L23-F27 PolarHBondContact O-N 2.67Å
24	H	57.1	Low	56.1	Low	102 Å²	102	112 Å²	112	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-58	-44.7	176	-177.8	-132.1	0	0	0	110.7	K20 F27 M28	K20-H24 WeakPolarHBondContact O-CB 3.35Å; K20-H24 PolarHBondContact O-N 3.03Å; H24-F27 PolarHBondContact O-N 3.42Å; H24-M28 WeakPolarHBondContact O-CB 3.34Å; H24-M28 WeakPolarHBondContact O-CG 3.32Å; H24-M28 PolarHBondContact O-N 3.49Å
25	K	63.4	Low	56.7	Low	130 Å²	130	112.3 Å²	112.3	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-59.7	-48.5	174.4	-175.5	178	177.1	-178.4	0	112.3	D21 L23 F27 M28 E29	D21-K25 WeakPolarHBondContact O-CB 3.38Å; D21-K25 PolarHBondContact O-N 3.1Å; L23-K25 VanDerWaalsContact C-N 3.29Å; L23-K25 PolarHBondContact O-N 3.02Å; K25-F27 PolarHBondContact O-N 3.28Å; K25-M28 PolarHBondContact O-N 3.44Å; K25-E29 WeakPolarHBondContact CE-OE1 3.46Å; K25-E29 WeakPolarHBondContact O-CB 3.21Å; K25-E29 WeakPolarHBondContact O-CG 3.44Å; K25-E29 PolarHBondContact O-N 3.01Å
26	R	58.6	Low	57	Low	164 Å²	164	109.2 Å²	109.2	62%	0.619	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-41.6	178.6	-79	-177.3	172.3	-165.8	-1.8	112.4	L22 L23 E29 S30	L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 WeakPolarHBondContact O-CG 3.04Å; L22-R26 PolarHBondContact O-N 2.72Å; L23-R26 PolarHBondContact O-N 3.23Å; R26-E29 PolarHBondContact O-N 3.06Å; R26-S30 WeakPolarHBondContact O-CB 3.22Å; R26-S30 PolarHBondContact O-N 2.83Å
27	F	52.9	Low	57.4	Low	59 Å²	59	109.5 Å²	109.5	26%	0.259	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-46.6	176.6	-179.2	-98.2	0	0	0	111	L23 H24 K25 E29 S30 M31	L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.26Å; L23-F27 PolarHBondContact O-N 2.67Å; H24-F27 PolarHBondContact O-N 3.42Å; K25-F27 PolarHBondContact O-N 3.28Å; F27-E29 VanDerWaalsContact C-N 3.32Å; F27-E29 PolarHBondContact O-N 3.48Å; F27-S30 WeakPolarHBondContact O-CB 3.39Å; F27-S30 PolarHBondContact O-N 2.98Å; F27-M31 HydrophobicContact CD1-CG 4.08Å; F27-M31 HydrophobicContact CE1-CG 3.63Å; F27-M31 HydrophobicContact CE2-CG 4.18Å; F27-M31 HydrophobicContact CZ-CG 3.69Å; F27-M31 HydrophobicContact CZ-SD 4.13Å; F27-M31 WeakPolarHBondContact O-CB 3.32Å; F27-M31 WeakPolarHBondContact O-CG 3.29Å; F27-M31 PolarHBondContact O-N 3.43Å
28	M	59	Low	57.6	Low	76 Å²	76	109.6 Å²	109.6	37%	0.374	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-36.7	176.8	-70.9	-60.6	-76.8	0	0	112.5	H24 K25 K32	H24-M28 WeakPolarHBondContact O-CB 3.34Å; H24-M28 WeakPolarHBondContact O-CG 3.32Å; H24-M28 PolarHBondContact O-N 3.49Å; K25-M28 PolarHBondContact O-N 3.44Å; M28-K32 WeakPolarHBondContact O-CB 3.01Å; M28-K32 WeakPolarHBondContact O-CG 3.16Å; M28-K32 PolarHBondContact O-N 3.14Å
29	E	61.5	Low	57.8	Low	104 Å²	104	107.3 Å²	107.3	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-44.5	172.8	-75.5	171.7	179.8	0	0	111.6	K25 R26 F27 K32 L33	K25-E29 WeakPolarHBondContact CE-OE1 3.46Å; K25-E29 WeakPolarHBondContact O-CB 3.21Å; K25-E29 WeakPolarHBondContact O-CG 3.44Å; K25-E29 PolarHBondContact O-N 3.01Å; R26-E29 PolarHBondContact O-N 3.06Å; F27-E29 VanDerWaalsContact C-N 3.32Å; F27-E29 PolarHBondContact O-N 3.48Å; E29-K32 PolarHBondContact O-N 3.46Å; E29-L33 WeakPolarHBondContact O-CB 3.33Å; E29-L33 PolarHBondContact O-N 2.9Å
30	S	53.4	Low	58.3	Low	53 Å²	53	105.3 Å²	105.3	37%	0.371	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-46.9	174.8	174.8	0	0	0	0	112.2	R26 F27 K32 L33 K34	R26-S30 WeakPolarHBondContact O-CB 3.22Å; R26-S30 PolarHBondContact O-N 2.83Å; F27-S30 WeakPolarHBondContact O-CB 3.39Å; F27-S30 PolarHBondContact O-N 2.98Å; S30-K32 PolarHBondContact O-N 3.05Å; S30-L33 PolarHBondContact O-N 3.27Å; S30-K34 WeakPolarHBondContact O-CG 3.14Å; S30-K34 PolarHBondContact O-N 3.47Å
31	M	55.7	Low	58.6	Low	94 Å²	94	104.9 Å²	104.9	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-39.8	177.1	-75.9	-64	-77.5	0	0	112.2	F27 K34 R35	F27-M31 HydrophobicContact CD1-CG 4.08Å; F27-M31 HydrophobicContact CE1-CG 3.63Å; F27-M31 HydrophobicContact CE2-CG 4.18Å; F27-M31 HydrophobicContact CZ-CG 3.69Å; F27-M31 HydrophobicContact CZ-SD 4.13Å; F27-M31 WeakPolarHBondContact O-CB 3.32Å; F27-M31 WeakPolarHBondContact O-CG 3.29Å; F27-M31 PolarHBondContact O-N 3.43Å; M31-K34 PolarHBondContact O-N 2.65Å; M31-R35 VanDerWaalsContact O-CB 3.25Å; M31-R35 WeakPolarHBondContact O-CB 3.11Å; M31-R35 PolarHBondContact O-N 2.83Å
32	K	60.1	Low	58.3	Low	144 Å²	144	101.8 Å²	101.8	63%	0.626	48%	0.48	S	S	*	.	H	α-helix	trans	-61.4	-43.7	172.9	-78.6	173	-177.8	179.4	0	111.7	M28 E29 S30 R35 A36	M28-K32 WeakPolarHBondContact O-CB 3.01Å; M28-K32 WeakPolarHBondContact O-CG 3.16Å; M28-K32 PolarHBondContact O-N 3.14Å; E29-K32 PolarHBondContact O-N 3.46Å; S30-K32 PolarHBondContact O-N 3.05Å; K32-R35 PolarHBondContact O-N 2.86Å; K32-A36 WeakPolarHBondContact O-CB 3.29Å; K32-A36 PolarHBondContact O-N 2.87Å
33	L	61.3	Low	58.4	Low	127 Å²	127	104.2 Å²	104.2	67%	0.665	48%	0.482	S	S	*	.	H	α-helix	trans	-65.2	-46.3	178	-174.1	67.7	0	0	0	111.5	E29 S30 R35 A36 H37	E29-L33 WeakPolarHBondContact O-CB 3.33Å; E29-L33 PolarHBondContact O-N 2.9Å; S30-L33 PolarHBondContact O-N 3.27Å; L33-R35 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 3.17Å; L33-H37 WeakPolarHBondContact O-CB 3.5Å; L33-H37 PolarHBondContact O-N 2.9Å
34	K	56.2	Low	58.9	Low	140 Å²	140	105 Å²	105	61%	0.609	49%	0.487	S	S	*	.	H	α-helix	trans	-60.2	-44.3	175.7	-73.5	-176.3	179.1	-173	0	111.8	S30 M31 H37 F38	S30-K34 WeakPolarHBondContact O-CG 3.14Å; S30-K34 PolarHBondContact O-N 3.47Å; M31-K34 PolarHBondContact O-N 2.65Å; K34-H37 PolarHBondContact O-N 3.32Å; K34-F38 WeakPolarHBondContact O-CB 3.42Å; K34-F38 PolarHBondContact O-N 3.3Å
35	R	61.2	Low	58.9	Low	185 Å²	185	101 Å²	101	70%	0.698	47%	0.469	S	S	*	.	H	α-helix	trans	-62.2	-42.3	175	-174.8	177.7	179.2	-177.8	1.5	111.6	M31 K32 L33 F38 I39	M31-R35 VanDerWaalsContact O-CB 3.25Å; M31-R35 WeakPolarHBondContact O-CB 3.11Å; M31-R35 PolarHBondContact O-N 2.83Å; K32-R35 PolarHBondContact O-N 2.86Å; L33-R35 PolarHBondContact O-N 3.48Å; R35-F38 PolarHBondContact O-N 3.22Å; R35-I39 HydrophobicContact CG-CD1 3.98Å; R35-I39 WeakPolarHBondContact O-CB 3.32Å; R35-I39 VanDerWaalsContact O-CG1 3.24Å; R35-I39 WeakPolarHBondContact O-CG1 3.49Å; R35-I39 PolarHBondContact O-N 2.9Å
36	A	59.5	Low	58.5	Low	43 Å²	43	102 Å²	102	36%	0.355	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-46.6	175.8	0	0	0	0	0	111.4	K32 L33 F38 I39 D40	K32-A36 WeakPolarHBondContact O-CB 3.29Å; K32-A36 PolarHBondContact O-N 2.87Å; L33-A36 PolarHBondContact O-N 3.17Å; A36-F38 VanDerWaalsContact C-N 3.34Å; A36-F38 PolarHBondContact O-N 2.91Å; A36-I39 PolarHBondContact O-N 2.96Å; A36-D40 WeakPolarHBondContact O-CB 3.45Å; A36-D40 PolarHBondContact O-N 2.79Å
37	H	60.7	Low	58.7	Low	139 Å²	139	99.5 Å²	99.5	64%	0.644	47%	0.469	S	S	*	.	H	α-helix	trans	-61.6	-41.1	176.7	-172.7	-89.9	0	0	0	112.2	L33 K34 D40 H41	L33-H37 WeakPolarHBondContact O-CB 3.5Å; L33-H37 PolarHBondContact O-N 2.9Å; K34-H37 PolarHBondContact O-N 3.32Å; H37-D40 PolarHBondContact O-N 3.24Å; H37-H41 VanDerWaalsContact O-CB 3.3Å; H37-H41 WeakPolarHBondContact O-CB 3.17Å; H37-H41 PolarHBondContact O-N 3.48Å
38	F	57.3	Low	58.9	Low	121 Å²	121	99.6 Å²	99.6	53%	0.531	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-46.3	174	178.3	-105.4	0	0	0	111.7	K34 R35 A36 D40 H41 L42	K34-F38 WeakPolarHBondContact O-CB 3.42Å; K34-F38 PolarHBondContact O-N 3.3Å; R35-F38 PolarHBondContact O-N 3.22Å; A36-F38 VanDerWaalsContact C-N 3.34Å; A36-F38 PolarHBondContact O-N 2.91Å; F38-D40 PolarHBondContact O-N 3.2Å; F38-H41 WeakPolarHBondContact O-CB 3.48Å; F38-H41 PolarHBondContact O-N 3.43Å; F38-L42 HydrophobicContact CD1-CD1 4.03Å; F38-L42 HydrophobicContact CE1-CD1 3.5Å; F38-L42 HydrophobicContact CE1-CG 4.22Å; F38-L42 HydrophobicContact CZ-CD1 3.83Å; F38-L42 HydrophobicContact CZ-CD2 4.36Å; F38-L42 HydrophobicContact CZ-CG 4.21Å; F38-L42 WeakPolarHBondContact O-CG 3.41Å; F38-L42 PolarHBondContact O-N 3.44Å
39	I	58.2	Low	58.7	Low	60 Å²	60	104.4 Å²	104.4	31%	0.308	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-42.7	175.9	-70	167.7	0	0	0	111.1	R35 A36 H41 L42 R43	R35-I39 HydrophobicContact CG-CD1 3.98Å; R35-I39 WeakPolarHBondContact O-CB 3.32Å; R35-I39 VanDerWaalsContact O-CG1 3.24Å; R35-I39 WeakPolarHBondContact O-CG1 3.49Å; R35-I39 PolarHBondContact O-N 2.9Å; A36-I39 PolarHBondContact O-N 2.96Å; I39-H41 VanDerWaalsContact C-N 3.34Å; I39-L42 WeakPolarHBondContact O-CB 3.39Å; I39-L42 PolarHBondContact O-N 3.26Å; I39-R43 WeakPolarHBondContact O-CG 3.44Å; I39-R43 PolarHBondContact O-N 3.43Å
40	D	62.7	Low	58.5	Low	71 Å²	71	101.4 Å²	101.4	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-68.2	-35.1	178.1	-73.4	-20.4	0	0	0	111.7	A36 H37 F38 R43 N44	A36-D40 WeakPolarHBondContact O-CB 3.45Å; A36-D40 PolarHBondContact O-N 2.79Å; H37-D40 PolarHBondContact O-N 3.24Å; F38-D40 PolarHBondContact O-N 3.2Å; D40-R43 PolarHBondContact O-N 2.9Å; D40-R43 IonicContact OD1-CZ 2.67Å; D40-R43 IonicContact OD1-NH1 3.09Å; D40-R43 PolarHBondContact OD1-NH1 3.14Å; D40-N44 WeakPolarHBondContact O-CB 3.2Å; D40-N44 VanDerWaalsContact O-CG 3.31Å; D40-N44 PolarHBondContact O-N 3.2Å
41	H	58.2	Low	58.9	Low	98 Å²	98	106.6 Å²	106.6	45%	0.454	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-45.5	170.5	-176.3	69.7	0	0	0	111.4	H37 F38 I39 R43 N44 I45	H37-H41 VanDerWaalsContact O-CB 3.3Å; H37-H41 WeakPolarHBondContact O-CB 3.17Å; H37-H41 PolarHBondContact O-N 3.48Å; F38-H41 WeakPolarHBondContact O-CB 3.48Å; F38-H41 PolarHBondContact O-N 3.43Å; I39-H41 VanDerWaalsContact C-N 3.34Å; H41-R43 PolarHBondContact O-N 2.82Å; H41-N44 PolarHBondContact O-N 2.83Å; H41-I45 WeakPolarHBondContact NE2-CD1 3.34Å; H41-I45 WeakPolarHBondContact O-CD1 3.35Å; H41-I45 VanDerWaalsContact O-CG1 3.31Å; H41-I45 WeakPolarHBondContact O-CG1 3.2Å; H41-I45 PolarHBondContact O-N 3.03Å
42	L	53.3	Low	58.8	Low	47 Å²	47	105.5 Å²	105.5	25%	0.246	51%	0.508	C	S	.	.	H	α-helix	trans	-61.7	-41.2	174.5	-68.7	179.8	0	0	0	112.3	F38 I39 I45 Y46 L66	F38-L42 HydrophobicContact CD1-CD1 4.03Å; F38-L42 HydrophobicContact CE1-CD1 3.5Å; F38-L42 HydrophobicContact CE1-CG 4.22Å; F38-L42 HydrophobicContact CZ-CD1 3.83Å; F38-L42 HydrophobicContact CZ-CD2 4.36Å; F38-L42 HydrophobicContact CZ-CG 4.21Å; F38-L42 WeakPolarHBondContact O-CG 3.41Å; F38-L42 PolarHBondContact O-N 3.44Å; I39-L42 WeakPolarHBondContact O-CB 3.39Å; I39-L42 PolarHBondContact O-N 3.26Å; L42-I45 HydrophobicContact CD2-CD1 4.48Å; L42-I45 PolarHBondContact O-N 2.9Å; L42-Y46 WeakPolarHBondContact O-CB 3.45Å; L42-Y46 PolarHBondContact O-N 3.39Å; L42-L66 HydrophobicContact CD2-CD1 3.92Å; L42-L66 HydrophobicContact CD2-CD2 3.57Å; L42-L66 HydrophobicContact CD2-CG 4.42Å
43	R	62	Low	58.7	Low	144 Å²	144	104.8 Å²	104.8	54%	0.543	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-42.3	174.8	-73.9	171.1	178.1	163.2	-4.2	111.9	I39 D40 H41 Y46 N47	I39-R43 WeakPolarHBondContact O-CG 3.44Å; I39-R43 PolarHBondContact O-N 3.43Å; D40-R43 PolarHBondContact O-N 2.9Å; D40-R43 IonicContact OD1-CZ 2.67Å; D40-R43 IonicContact OD1-NH1 3.09Å; D40-R43 PolarHBondContact OD1-NH1 3.14Å; H41-R43 PolarHBondContact O-N 2.82Å; R43-Y46 WeakPolarHBondContact O-CB 3.27Å; R43-Y46 PolarHBondContact O-N 3.14Å; R43-N47 WeakPolarHBondContact O-CB 3.28Å; R43-N47 PolarHBondContact O-N 3.07Å; R43-N47 PolarHBondContact O-ND2 3.38Å
44	N	63.7	Low	58.3	Low	103 Å²	103	102.8 Å²	102.8	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-46.3	176.4	-77.2	-14	0	0	0	110.4	D40 H41 Y46 N47 S48	D40-N44 WeakPolarHBondContact O-CB 3.2Å; D40-N44 VanDerWaalsContact O-CG 3.31Å; D40-N44 PolarHBondContact O-N 3.2Å; H41-N44 PolarHBondContact O-N 2.83Å; N44-Y46 VanDerWaalsContact C-N 3.26Å; N44-Y46 PolarHBondContact O-N 3.34Å; N44-N47 CarbonylContact O-C 3.6Å; N44-N47 PolarHBondContact O-N 2.92Å; N44-N47 VanDerWaalsContact O-N 3.11Å; N44-S48 PolarHBondContact O-N 2.64Å; N44-S48 PolarHBondContact O-OG 2.91Å
45	I	59.1	Low	58.3	Low	19 Å²	19	99 Å²	99	10%	0.097	49%	0.489	C	S	.	.	H	α-helix	trans	-57.4	-41.1	173.6	-66.5	158.4	0	0	0	111.4	H41 L42 N47 L59 K62	H41-I45 WeakPolarHBondContact NE2-CD1 3.34Å; H41-I45 WeakPolarHBondContact O-CD1 3.35Å; H41-I45 VanDerWaalsContact O-CG1 3.31Å; H41-I45 WeakPolarHBondContact O-CG1 3.2Å; H41-I45 PolarHBondContact O-N 3.03Å; L42-I45 HydrophobicContact CD2-CD1 4.48Å; L42-I45 PolarHBondContact O-N 2.9Å; I45-N47 VanDerWaalsContact C-N 3.34Å; I45-L59 HydrophobicContact CG2-CD2 3.97Å; I45-L59 WeakPolarHBondContact O-CD2 3.49Å; I45-K62 VanDerWaalsContact CD1-NZ 3.25Å; I45-K62 HydrophobicContact CG2-CD 3.98Å
46	Y	54.1	Low	58.1	Low	151 Å²	151	95.3 Å²	95.3	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-38.7	178.1	-172.8	-94.8	0	0	0	112.3	L42 R43 N44 R63	L42-Y46 WeakPolarHBondContact O-CB 3.45Å; L42-Y46 PolarHBondContact O-N 3.39Å; R43-Y46 WeakPolarHBondContact O-CB 3.27Å; R43-Y46 PolarHBondContact O-N 3.14Å; N44-Y46 VanDerWaalsContact C-N 3.26Å; N44-Y46 PolarHBondContact O-N 3.34Å; Y46-R63 PolarHBondContact O-NH2 3.46Å
47	N	62.2	Low	58.2	Low	112 Å²	112	97.8 Å²	97.8	60%	0.599	49%	0.487	S	S	*	.	H	α-helix	trans	-88.1	-13.6	-176.2	-65.3	-25.9	0	0	0	114.3	R43 N44 I45 E49	R43-N47 WeakPolarHBondContact O-CB 3.28Å; R43-N47 PolarHBondContact O-N 3.07Å; R43-N47 PolarHBondContact O-ND2 3.38Å; N44-N47 CarbonylContact O-C 3.6Å; N44-N47 PolarHBondContact O-N 2.92Å; N44-N47 VanDerWaalsContact O-N 3.11Å; I45-N47 VanDerWaalsContact C-N 3.34Å; N47-E49 PolarHBondContact O-N 3.36Å
48	S	57.3	Low	58.1	Low	61 Å²	61	95.9 Å²	95.9	43%	0.427	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-62.2	120.2	174.7	-62.1	0	0	0	0	109.9	N44	N44-S48 PolarHBondContact O-N 2.64Å; N44-S48 PolarHBondContact O-OG 2.91Å
49	E	55.3	Low	58.3	Low	176 Å²	176	91.4 Å²	91.4	82%	0.822	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-75.3	128.1	166.7	-74.5	-171	164.7	0	0	108.8	N47 D51	N47-E49 PolarHBondContact O-N 3.36Å; E49-D51 PolarHBondContact O-N 2.96Å
50	P	58.1	Low	58.5	Low	41 Å²	41	94.4 Å²	94.4	27%	0.266	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-70.7	125.3	177.4	20.9	-26	0	0	0	111	N52 D55 Q56 L59	P50-N52 VanDerWaalsContact C-N 3.28Å; P50-N52 PolarHBondContact O-N 3Å; P50-D55 HydrophobicContact CB-CB 3.85Å; P50-Q56 HydrophobicContact CB-CB 4.41Å; P50-Q56 HydrophobicContact CB-CG 3.66Å; P50-Q56 HydrophobicContact CG-CB 4.25Å; P50-Q56 HydrophobicContact CG-CG 3.18Å; P50-L59 HydrophobicContact CB-CD1 3.73Å; P50-L59 HydrophobicContact CG-CD1 4.22Å
51	D	60.2	Low	58.5	Low	163 Å²	163	96.8 Å²	96.8	87%	0.872	48%	0.484	S	S	*	.	S	Bend	trans	-74.4	-17.8	177.3	-75.7	-33.3	0	0	0	112.9	E49	E49-D51 PolarHBondContact O-N 2.96Å
52	N	54.4	Low	58.7	Low	71 Å²	71	96.4 Å²	96.4	38%	0.38	48%	0.481	S	S	.	.	S	Bend	trans	-144.1	157.2	-177.9	113.5	61.1	0	0	0	113.2	P50 T54 D55 Q56	P50-N52 VanDerWaalsContact C-N 3.28Å; P50-N52 PolarHBondContact O-N 3Å; N52-T54 VanDerWaalsContact C-N 3.31Å; N52-T54 PolarHBondContact O-N 3.26Å; N52-T54 WeakPolarHBondContact OD1-CA 3.32Å; N52-T54 WeakPolarHBondContact OD1-CB 3.47Å; N52-T54 PolarHBondContact OD1-N 3.31Å; N52-T54 PolarHBondContact OD1-OG1 3.28Å; N52-D55 PolarHBondContact ND2-OD1 3.44Å; N52-D55 PolarHBondContact ND2-OD2 3.44Å; N52-D55 WeakPolarHBondContact O-CA 3.31Å; N52-D55 WeakPolarHBondContact O-CB 3.41Å; N52-D55 PolarHBondContact O-N 2.66Å; N52-Q56 PolarHBondContact O-N 3.49Å
53	L	57.4	Low	59.1	Low	128 Å²	128	99 Å²	99	67%	0.67	49%	0.487	S	S	*	.	H	α-helix	trans	-63.7	-31.1	-175.1	-157.4	120.1	0	0	0	113.8	Q56 L57	L53-Q56 WeakPolarHBondContact O-CB 3.3Å; L53-Q56 PolarHBondContact O-N 3.09Å; L53-L57 PolarHBondContact O-N 3.38Å
54	T	53.6	Low	59.2	Low	85 Å²	85	97.3 Å²	97.3	52%	0.521	49%	0.486	S	S	.	.	H	α-helix	trans	-67.9	-37.8	170.4	-47.7	0	0	0	0	111.2	N52 Q56 L57 L58	N52-T54 VanDerWaalsContact C-N 3.31Å; N52-T54 PolarHBondContact O-N 3.26Å; N52-T54 WeakPolarHBondContact OD1-CA 3.32Å; N52-T54 WeakPolarHBondContact OD1-CB 3.47Å; N52-T54 PolarHBondContact OD1-N 3.31Å; N52-T54 PolarHBondContact OD1-OG1 3.28Å; T54-Q56 VanDerWaalsContact C-N 3.32Å; T54-Q56 PolarHBondContact O-N 3.4Å; T54-L57 PolarHBondContact O-N 3.14Å; T54-L58 HydrophobicContact CG2-CD1 4.28Å; T54-L58 WeakPolarHBondContact O-CG 3.09Å; T54-L58 PolarHBondContact O-N 2.86Å
55	D	56.3	Low	59	Low	60 Å²	60	97.6 Å²	97.6	32%	0.321	49%	0.487	S	S	.	.	H	α-helix	trans	-68	-34.2	174.7	-60.9	-31.8	0	0	0	110.9	P50 N52 L59	P50-D55 HydrophobicContact CB-CB 3.85Å; N52-D55 PolarHBondContact ND2-OD1 3.44Å; N52-D55 PolarHBondContact ND2-OD2 3.44Å; N52-D55 WeakPolarHBondContact O-CA 3.31Å; N52-D55 WeakPolarHBondContact O-CB 3.41Å; N52-D55 PolarHBondContact O-N 2.66Å; D55-L59 WeakPolarHBondContact O-CB 3.39Å; D55-L59 WeakPolarHBondContact O-CD1 3.47Å; D55-L59 WeakPolarHBondContact O-CG 3.37Å; D55-L59 PolarHBondContact O-N 2.88Å
56	Q	56.6	Low	59	Low	109 Å²	109	98.9 Å²	98.9	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-59.6	-45.9	171.3	-85.4	-178.6	-0.4	0	0	112.7	P50 N52 L53 T54 Q60	P50-Q56 HydrophobicContact CB-CB 4.41Å; P50-Q56 HydrophobicContact CB-CG 3.66Å; P50-Q56 HydrophobicContact CG-CB 4.25Å; P50-Q56 HydrophobicContact CG-CG 3.18Å; N52-Q56 PolarHBondContact O-N 3.49Å; L53-Q56 WeakPolarHBondContact O-CB 3.3Å; L53-Q56 PolarHBondContact O-N 3.09Å; T54-Q56 VanDerWaalsContact C-N 3.32Å; T54-Q56 PolarHBondContact O-N 3.4Å; Q56-Q60 VanDerWaalsContact O-CB 3.29Å; Q56-Q60 WeakPolarHBondContact O-CB 3.38Å; Q56-Q60 PolarHBondContact O-N 3.01Å
57	L	61.2	Low	59.2	Low	94 Å²	94	97.9 Å²	97.9	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-45.4	178.8	-91.1	150	0	0	0	111.7	L53 T54 Q60 E61	L53-L57 PolarHBondContact O-N 3.38Å; T54-L57 PolarHBondContact O-N 3.14Å; L57-Q60 PolarHBondContact O-N 3.16Å; L57-E61 PolarHBondContact O-N 2.77Å
58	L	59.3	Low	59	Low	99 Å²	99	95.9 Å²	95.9	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-66.7	-38.6	177.1	-70.4	170.1	0	0	0	112.3	T54 Q60 K62	T54-L58 HydrophobicContact CG2-CD1 4.28Å; T54-L58 WeakPolarHBondContact O-CG 3.09Å; T54-L58 PolarHBondContact O-N 2.86Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-K62 WeakPolarHBondContact O-CB 3.49Å; L58-K62 PolarHBondContact O-N 3.49Å
59	L	60.6	Low	58.7	Low	27 Å²	27	98.6 Å²	98.6	14%	0.141	50%	0.497	C	S	.	.	H	α-helix	trans	-66.2	-35.3	172.8	-90.1	148.6	0	0	0	111.8	I45 P50 D55 R63	I45-L59 HydrophobicContact CG2-CD2 3.97Å; I45-L59 WeakPolarHBondContact O-CD2 3.49Å; P50-L59 HydrophobicContact CB-CD1 3.73Å; P50-L59 HydrophobicContact CG-CD1 4.22Å; D55-L59 WeakPolarHBondContact O-CB 3.39Å; D55-L59 WeakPolarHBondContact O-CD1 3.47Å; D55-L59 WeakPolarHBondContact O-CG 3.37Å; D55-L59 PolarHBondContact O-N 2.88Å; L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.08Å; L59-R63 WeakPolarHBondContact O-CG 3.2Å; L59-R63 PolarHBondContact O-N 2.95Å
60	Q	63.7	Low	58.5	Low	123 Å²	123	93.9 Å²	93.9	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-68.1	-48.3	175.4	-176.1	175.4	-9	0	0	111.5	Q56 L57 L58 K62 R63 E64	Q56-Q60 VanDerWaalsContact O-CB 3.29Å; Q56-Q60 WeakPolarHBondContact O-CB 3.38Å; Q56-Q60 PolarHBondContact O-N 3.01Å; L57-Q60 PolarHBondContact O-N 3.16Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; Q60-K62 VanDerWaalsContact C-N 3.33Å; Q60-K62 PolarHBondContact O-N 3.35Å; Q60-R63 PolarHBondContact O-N 3.46Å; Q60-E64 PolarHBondContact O-N 3.12Å
61	E	62.8	Low	58.2	Low	122 Å²	122	95.2 Å²	95.2	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-59.7	-43.9	175	-74.8	-176.8	163.8	0	0	111.4	L57 R63 E64 L65	L57-E61 PolarHBondContact O-N 2.77Å; E61-R63 VanDerWaalsContact C-N 3.35Å; E61-R63 PolarHBondContact O-N 2.76Å; E61-E64 PolarHBondContact O-N 3.17Å; E61-L65 WeakPolarHBondContact O-CG 3.22Å; E61-L65 PolarHBondContact O-N 2.84Å
62	K	62.3	Low	57.5	Low	89 Å²	89	88.6 Å²	88.6	39%	0.387	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-37.5	176.3	-171	174.3	-176.7	177.7	0	112.6	I45 L58 Q60 L66	I45-K62 VanDerWaalsContact CD1-NZ 3.25Å; I45-K62 HydrophobicContact CG2-CD 3.98Å; L58-K62 WeakPolarHBondContact O-CB 3.49Å; L58-K62 PolarHBondContact O-N 3.49Å; Q60-K62 VanDerWaalsContact C-N 3.33Å; Q60-K62 PolarHBondContact O-N 3.35Å; K62-L66 HydrophobicContact CG-CD1 4.34Å; K62-L66 WeakPolarHBondContact O-CB 3.28Å; K62-L66 VanDerWaalsContact O-CG 3.3Å; K62-L66 WeakPolarHBondContact O-CG 3.48Å; K62-L66 PolarHBondContact O-N 2.87Å
63	R	61.1	Low	56.9	Low	101 Å²	101	88.8 Å²	88.8	38%	0.381	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-40.7	175	-80.4	171.8	-178.7	176.4	1.5	111.8	Y46 L59 Q60 E61 L66 K67	Y46-R63 PolarHBondContact O-NH2 3.46Å; L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.08Å; L59-R63 WeakPolarHBondContact O-CG 3.2Å; L59-R63 PolarHBondContact O-N 2.95Å; Q60-R63 PolarHBondContact O-N 3.46Å; E61-R63 VanDerWaalsContact C-N 3.35Å; E61-R63 PolarHBondContact O-N 2.76Å; R63-L66 PolarHBondContact O-N 3.18Å; R63-K67 VanDerWaalsContact O-CB 3.32Å; R63-K67 WeakPolarHBondContact O-CB 3.36Å; R63-K67 PolarHBondContact O-N 3.41Å
64	E	63.4	Low	56	Low	109 Å²	109	90.2 Å²	90.2	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-40.2	175.5	-71.9	-60.2	144.7	0	0	111.8	Q60 E61 K67 S68	Q60-E64 PolarHBondContact O-N 3.12Å; E61-E64 PolarHBondContact O-N 3.17Å; E64-K67 PolarHBondContact O-N 3.34Å; E64-S68 PolarHBondContact O-N 3.37Å
65	L	60.9	Low	55.6	Low	109 Å²	109	90.2 Å²	90.2	57%	0.571	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-43.8	172.8	-74.8	168.8	0	0	0	112.3	E61 K67 S68 L69	E61-L65 WeakPolarHBondContact O-CG 3.22Å; E61-L65 PolarHBondContact O-N 2.84Å; L65-K67 VanDerWaalsContact C-N 3.3Å; L65-K67 PolarHBondContact O-N 3.3Å; L65-S68 PolarHBondContact O-N 2.83Å; L65-S68 PolarHBondContact O-OG 2.97Å; L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 WeakPolarHBondContact O-CD1 3.21Å; L65-L69 PolarHBondContact O-N 2.98Å
66	L	58.1	Low	55	Low	47 Å²	47	92.9 Å²	92.9	25%	0.246	49%	0.489	C	S	.	.	H	α-helix	trans	-65.3	-36.2	176	-76	169.7	0	0	0	111.8	L42 K62 R63 L69 V70	L42-L66 HydrophobicContact CD2-CD1 3.92Å; L42-L66 HydrophobicContact CD2-CD2 3.57Å; L42-L66 HydrophobicContact CD2-CG 4.42Å; K62-L66 HydrophobicContact CG-CD1 4.34Å; K62-L66 WeakPolarHBondContact O-CB 3.28Å; K62-L66 VanDerWaalsContact O-CG 3.3Å; K62-L66 WeakPolarHBondContact O-CG 3.48Å; K62-L66 PolarHBondContact O-N 2.87Å; R63-L66 PolarHBondContact O-N 3.18Å; L66-L69 PolarHBondContact O-N 3.21Å; L66-V70 WeakPolarHBondContact O-CB 3.37Å; L66-V70 VanDerWaalsContact O-CG2 3.26Å; L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 2.87Å
67	K	59.2	Low	54.3	Low	129 Å²	129	96.6 Å²	96.6	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-67.1	-42.3	175.8	-160.8	177.8	-177.4	-174.3	0	111.1	R63 E64 L65 V70 S71	R63-K67 VanDerWaalsContact O-CB 3.32Å; R63-K67 WeakPolarHBondContact O-CB 3.36Å; R63-K67 PolarHBondContact O-N 3.41Å; E64-K67 PolarHBondContact O-N 3.34Å; L65-K67 VanDerWaalsContact C-N 3.3Å; L65-K67 PolarHBondContact O-N 3.3Å; K67-V70 PolarHBondContact O-N 3.39Å; K67-S71 VanDerWaalsContact O-CB 3.27Å; K67-S71 WeakPolarHBondContact O-CB 3.33Å; K67-S71 PolarHBondContact O-N 2.95Å; K67-S71 PolarHBondContact O-OG 2.15Å
68	S	57.3	Low	53.8	Low	71 Å²	71	97 Å²	97	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-65.8	-37.1	175.1	76.5	0	0	0	0	112.4	E64 L65 G72	E64-S68 PolarHBondContact O-N 3.37Å; L65-S68 PolarHBondContact O-N 2.83Å; L65-S68 PolarHBondContact O-OG 2.97Å; S68-G72 WeakPolarHBondContact O-CA 3.31Å; S68-G72 PolarHBondContact O-N 3.37Å
69	L	51.6	Low	53.5	Low	118 Å²	118	96.6 Å²	96.6	62%	0.618	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-43.6	174.7	-89.5	152.3	0	0	0	112.4	L65 L66 G72 S73	L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 WeakPolarHBondContact O-CD1 3.21Å; L65-L69 PolarHBondContact O-N 2.98Å; L66-L69 PolarHBondContact O-N 3.21Å; L69-G72 PolarHBondContact O-N 2.98Å; L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 3.18Å
70	V	51.4	Low	52.8	Low	77 Å²	77	100.8 Å²	100.8	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-45.2	177.7	171.9	0	0	0	0	110.7	L66 K67 G72 S73 E74	L66-V70 WeakPolarHBondContact O-CB 3.37Å; L66-V70 VanDerWaalsContact O-CG2 3.26Å; L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 2.87Å; K67-V70 PolarHBondContact O-N 3.39Å; V70-G72 VanDerWaalsContact C-N 3.29Å; V70-G72 PolarHBondContact O-N 2.82Å; V70-S73 PolarHBondContact O-N 3.46Å; V70-S73 PolarHBondContact O-OG 3.28Å; V70-E74 PolarHBondContact O-N 3.34Å
71	S	52	Low	52.1	Low	68 Å²	68	99.6 Å²	99.6	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-32.6	174.7	-60	0	0	0	0	112.7	K67 A75	K67-S71 VanDerWaalsContact O-CB 3.27Å; K67-S71 WeakPolarHBondContact O-CB 3.33Å; K67-S71 PolarHBondContact O-N 2.95Å; K67-S71 PolarHBondContact O-OG 2.15Å; S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 3.29Å
72	G	45.4	Very low	51.8	Low	24 Å²	24	96.6 Å²	96.6	25%	0.247	52%	0.519	C	S	.	.	H	α-helix	trans	-65.9	-45.3	170.4	0	0	0	0	0	111.7	S68 L69 V70 E74 A75 E76	S68-G72 WeakPolarHBondContact O-CA 3.31Å; S68-G72 PolarHBondContact O-N 3.37Å; L69-G72 PolarHBondContact O-N 2.98Å; V70-G72 VanDerWaalsContact C-N 3.29Å; V70-G72 PolarHBondContact O-N 2.82Å; G72-E74 VanDerWaalsContact C-N 3.31Å; G72-E74 PolarHBondContact O-N 2.99Å; G72-A75 PolarHBondContact O-N 2.86Å; G72-A75 VanDerWaalsContact O-N 3.16Å; G72-E76 WeakPolarHBondContact O-CB 3.27Å; G72-E76 WeakPolarHBondContact O-CG 3.31Å; G72-E76 PolarHBondContact O-N 3.46Å
73	S	40.5	Very low	51.2	Low	75 Å²	75	96.2 Å²	96.2	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-69.4	-23.8	178.9	82.4	0	0	0	0	114.4	L69 V70	L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 3.18Å; V70-S73 PolarHBondContact O-N 3.46Å; V70-S73 PolarHBondContact O-OG 3.28Å
74	E	38.8	Very low	50.8	Low	158 Å²	158	94.6 Å²	94.6	74%	0.738	52%	0.519	S	S	*	.	H	α-helix	trans	-82.4	-23.6	173	-72.7	-174.2	169	0	0	112.5	V70 G72	V70-E74 PolarHBondContact O-N 3.34Å; G72-E74 VanDerWaalsContact C-N 3.31Å; G72-E74 PolarHBondContact O-N 2.99Å
75	A	45.4	Very low	50.8	Low	85 Å²	85	95.2 Å²	95.2	70%	0.702	53%	0.525	S	S	*	.	H	α-helix	trans	-88.4	-29.7	175.1	0	0	0	0	0	112.6	S71 G72 Q77	S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 3.29Å; G72-A75 PolarHBondContact O-N 2.86Å; G72-A75 VanDerWaalsContact O-N 3.16Å; A75-Q77 PolarHBondContact O-N 3.47Å
76	E	43.2	Very low	50.7	Low	116 Å²	116	95.2 Å²	95.2	54%	0.542	53%	0.525	S	S	.	.			trans	-82.7	89	171.5	-70.6	173.8	178.9	0	0	108.4	G72 L78	G72-E76 WeakPolarHBondContact O-CB 3.27Å; G72-E76 WeakPolarHBondContact O-CG 3.31Å; G72-E76 PolarHBondContact O-N 3.46Å; E76-L78 PolarHBondContact O-N 2.9Å
77	Q	43	Very low	50.5	Low	188 Å²	188	96.7 Å²	96.7	88%	0.879	53%	0.531	S	S	*	.			trans	-59.3	81.9	148.4	-80.2	179.9	-22.4	0	0	106.9	A75 D79	A75-Q77 PolarHBondContact O-N 3.47Å; Q77-D79 PolarHBondContact O-N 3.45Å
78	L	49.2	Very low	50.5	Low	101 Å²	101	94.4 Å²	94.4	53%	0.529	53%	0.525	S	S	.	.			trans	-56.2	101.5	158.7	-90	162.3	0	0	0	104.7	E76 L80 L83	E76-L78 PolarHBondContact O-N 2.9Å; L78-L80 PolarHBondContact O-N 3.25Å; L78-L83 HydrophobicContact CB-CD1 4.22Å; L78-L83 HydrophobicContact CB-CG 4.12Å; L78-L83 HydrophobicContact CD1-CD2 4.43Å
79	D	54	Low	50.7	Low	91 Å²	91	98.9 Å²	98.9	49%	0.487	53%	0.531	S	S	.	.			trans	-49.5	136.2	179.8	179.9	26.1	0	0	0	108.1	Q77 D81 S82 L83	Q77-D79 PolarHBondContact O-N 3.45Å; D79-D81 PolarHBondContact O-N 3.4Å; D79-S82 WeakPolarHBondContact O-CA 3.48Å; D79-S82 WeakPolarHBondContact O-CB 3.13Å; D79-S82 PolarHBondContact O-N 2.89Å; D79-L83 PolarHBondContact O-N 3.39Å; D79-L83 VanDerWaalsContact O-N 3.14Å
80	L	46.5	Very low	51	Low	116 Å²	116	96.5 Å²	96.5	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-53.9	-33.8	-175.1	-178.7	63.5	0	0	0	110.4	L78 L83 I84	L78-L80 PolarHBondContact O-N 3.25Å; L80-L83 PolarHBondContact O-N 2.79Å; L80-I84 HydrophobicContact CG-CD1 3.99Å; L80-I84 VanDerWaalsContact O-CG1 3.23Å; L80-I84 WeakPolarHBondContact O-CG1 3.36Å; L80-I84 PolarHBondContact O-N 3.3Å
81	D	48	Very low	51.3	Low	98 Å²	98	96 Å²	96	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-66.3	-34.9	176.3	-65.1	-17.3	0	0	0	112.7	D79 I84 L85	D79-D81 PolarHBondContact O-N 3.4Å; D81-I84 PolarHBondContact O-N 3Å; D81-L85 WeakPolarHBondContact O-CB 3.32Å; D81-L85 VanDerWaalsContact O-CG 3.29Å; D81-L85 WeakPolarHBondContact O-CG 3.38Å; D81-L85 PolarHBondContact O-N 2.76Å
82	S	55.7	Low	51.8	Low	59 Å²	59	98.2 Å²	98.2	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-69.9	-36.9	174.1	-62.8	0	0	0	0	112	D79 L86	D79-S82 WeakPolarHBondContact O-CA 3.48Å; D79-S82 WeakPolarHBondContact O-CB 3.13Å; D79-S82 PolarHBondContact O-N 2.89Å; S82-L86 WeakPolarHBondContact O-CB 3.41Å; S82-L86 PolarHBondContact O-N 3.29Å
83	L	50.2	Low	52.2	Low	81 Å²	81	102 Å²	102	42%	0.424	53%	0.533	S	S	.	.	H	α-helix	trans	-67.8	-38.3	173.3	-76.2	167.5	0	0	0	111.9	L78 D79 L80 Q87	L78-L83 HydrophobicContact CB-CD1 4.22Å; L78-L83 HydrophobicContact CB-CG 4.12Å; L78-L83 HydrophobicContact CD1-CD2 4.43Å; D79-L83 PolarHBondContact O-N 3.39Å; D79-L83 VanDerWaalsContact O-N 3.14Å; L80-L83 PolarHBondContact O-N 2.79Å; L83-Q87 WeakPolarHBondContact O-CB 3.44Å; L83-Q87 PolarHBondContact O-N 2.86Å
84	I	53	Low	52.9	Low	67 Å²	67	101.3 Å²	101.3	34%	0.344	52%	0.523	S	S	.	.	H	α-helix	trans	-65	-46.5	175	-69.9	164.8	0	0	0	110.4	L80 D81 L86 Q87 D88	L80-I84 HydrophobicContact CG-CD1 3.99Å; L80-I84 VanDerWaalsContact O-CG1 3.23Å; L80-I84 WeakPolarHBondContact O-CG1 3.36Å; L80-I84 PolarHBondContact O-N 3.3Å; D81-I84 PolarHBondContact O-N 3Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.37Å; I84-Q87 WeakPolarHBondContact O-CB 3.42Å; I84-Q87 PolarHBondContact O-N 2.88Å; I84-Q87 VanDerWaalsContact O-N 3.15Å; I84-D88 PolarHBondContact O-N 3Å
85	L	63	Low	54.1	Low	122 Å²	122	96 Å²	96	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-61.3	-40.3	177.2	-75.7	171.1	0	0	0	112.6	D81 R89	D81-L85 WeakPolarHBondContact O-CB 3.32Å; D81-L85 VanDerWaalsContact O-CG 3.29Å; D81-L85 WeakPolarHBondContact O-CG 3.38Å; D81-L85 PolarHBondContact O-N 2.76Å; L85-R89 WeakPolarHBondContact O-CB 3.42Å; L85-R89 PolarHBondContact O-N 2.9Å
86	L	59.7	Low	54.8	Low	108 Å²	108	95.6 Å²	95.6	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-65.3	-41.7	175.1	-174.2	69.2	0	0	0	111.2	S82 I84 R89 V90	S82-L86 WeakPolarHBondContact O-CB 3.41Å; S82-L86 PolarHBondContact O-N 3.29Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.37Å; L86-R89 PolarHBondContact O-N 2.8Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.3Å; L86-V90 PolarHBondContact O-N 3.34Å
87	Q	52.7	Low	55.3	Low	79 Å²	79	93.8 Å²	93.8	37%	0.369	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-47.4	176.1	178.3	179.6	-1	0	0	111.6	L83 I84 R89 V90 L91	L83-Q87 WeakPolarHBondContact O-CB 3.44Å; L83-Q87 PolarHBondContact O-N 2.86Å; I84-Q87 WeakPolarHBondContact O-CB 3.42Å; I84-Q87 PolarHBondContact O-N 2.88Å; I84-Q87 VanDerWaalsContact O-N 3.15Å; Q87-R89 VanDerWaalsContact C-N 3.32Å; Q87-R89 PolarHBondContact O-N 2.97Å; Q87-V90 PolarHBondContact O-N 3.23Å; Q87-L91 HydrophobicContact CG-CD1 4.03Å; Q87-L91 HydrophobicContact CG-CG 4.44Å; Q87-L91 VanDerWaalsContact O-CG 3.31Å; Q87-L91 WeakPolarHBondContact O-CG 3.37Å; Q87-L91 PolarHBondContact O-N 3.47Å
88	D	59.3	Low	55.8	Low	81 Å²	81	88.5 Å²	88.5	43%	0.433	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-42.1	179.8	-72.8	-17.9	0	0	0	110.9	I84 V90 L91 D92	I84-D88 PolarHBondContact O-N 3Å; D88-V90 PolarHBondContact O-N 2.92Å; D88-L91 PolarHBondContact O-N 3.48Å; D88-D92 PolarHBondContact O-N 3.45Å
89	R	62.5	Low	56.3	Low	164 Å²	164	90.6 Å²	90.6	62%	0.619	47%	0.468	S	S	*	.	H	α-helix	trans	-60.7	-45.4	175.2	-177.4	176.4	176.3	170.9	2.3	112.6	L85 L86 Q87 L91 D92 E93	L85-R89 WeakPolarHBondContact O-CB 3.42Å; L85-R89 PolarHBondContact O-N 2.9Å; L86-R89 PolarHBondContact O-N 2.8Å; Q87-R89 VanDerWaalsContact C-N 3.32Å; Q87-R89 PolarHBondContact O-N 2.97Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 3.26Å; R89-D92 PolarHBondContact O-N 3.45Å; R89-E93 IonicContact CZ-OE1 2.72Å; R89-E93 IonicContact NE-OE1 3.84Å; R89-E93 PolarHBondContact NE-OE1 3.14Å; R89-E93 VanDerWaalsContact NE-OE1 3.09Å; R89-E93 IonicContact NH2-OE1 3.9Å; R89-E93 WeakPolarHBondContact O-CG 3.11Å; R89-E93 PolarHBondContact O-N 3.04Å
90	V	56.8	Low	56.5	Low	69 Å²	69	91 Å²	91	42%	0.418	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-36.5	177.4	170.6	0	0	0	0	111.2	L86 Q87 D88 L94	L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.3Å; L86-V90 PolarHBondContact O-N 3.34Å; Q87-V90 PolarHBondContact O-N 3.23Å; D88-V90 PolarHBondContact O-N 2.92Å; V90-L94 VanDerWaalsContact O-CB 3.27Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 2.85Å
91	L	57.4	Low	56.7	Low	67 Å²	67	91 Å²	91	35%	0.351	46%	0.459	S	S	.	.	H	α-helix	trans	-68.4	-38.7	176.3	-72.2	173.4	0	0	0	112.2	Q87 D88 R89 L94 S95	Q87-L91 HydrophobicContact CG-CD1 4.03Å; Q87-L91 HydrophobicContact CG-CG 4.44Å; Q87-L91 VanDerWaalsContact O-CG 3.31Å; Q87-L91 WeakPolarHBondContact O-CG 3.37Å; Q87-L91 PolarHBondContact O-N 3.47Å; D88-L91 PolarHBondContact O-N 3.48Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 3.26Å; L91-L94 PolarHBondContact O-N 3.04Å; L91-S95 WeakPolarHBondContact O-CB 3.43Å; L91-S95 PolarHBondContact O-N 2.87Å
92	D	63	Low	56.8	Low	114 Å²	114	92.9 Å²	92.9	61%	0.61	46%	0.463	S	S	*	.	H	α-helix	trans	-64.5	-47.7	174.8	-86.6	-3.3	0	0	0	111	D88 R89 L94 S95 V96	D88-D92 PolarHBondContact O-N 3.45Å; R89-D92 PolarHBondContact O-N 3.45Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.09Å; D92-S95 WeakPolarHBondContact O-CB 3.35Å; D92-S95 PolarHBondContact O-N 3.41Å; D92-S95 VanDerWaalsContact O-N 3.14Å; D92-S95 PolarHBondContact O-OG 3.2Å; D92-V96 PolarHBondContact O-N 3.38Å
93	E	53.9	Low	56.9	Low	103 Å²	103	93.3 Å²	93.3	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-45.1	175.9	-72.5	172.1	-166.5	0	0	111.2	R89 S95 V96 E97	R89-E93 IonicContact CZ-OE1 2.72Å; R89-E93 IonicContact NE-OE1 3.84Å; R89-E93 PolarHBondContact NE-OE1 3.14Å; R89-E93 VanDerWaalsContact NE-OE1 3.09Å; R89-E93 IonicContact NH2-OE1 3.9Å; R89-E93 WeakPolarHBondContact O-CG 3.11Å; R89-E93 PolarHBondContact O-N 3.04Å; E93-S95 VanDerWaalsContact C-N 3.32Å; E93-S95 PolarHBondContact O-N 2.91Å; E93-V96 PolarHBondContact O-N 2.95Å; E93-E97 PolarHBondContact O-N 3.4Å
94	L	55.8	Low	56.9	Low	61 Å²	61	93.2 Å²	93.2	32%	0.319	47%	0.465	S	S	.	.	H	α-helix	trans	-66.4	-31.8	176.4	-167.3	74.6	0	0	0	112.7	V90 L91 D92 V96 E97 I98	V90-L94 VanDerWaalsContact O-CB 3.27Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 2.85Å; L91-L94 PolarHBondContact O-N 3.04Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.09Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-E97 PolarHBondContact O-N 2.85Å; L94-I98 HydrophobicContact CD2-CD1 4.17Å; L94-I98 HydrophobicContact CG-CD1 3.94Å; L94-I98 HydrophobicContact CG-CG1 4.37Å; L94-I98 WeakPolarHBondContact O-CB 3.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.48Å; L94-I98 PolarHBondContact O-N 3.41Å
95	S	63.3	Low	57.2	Low	47 Å²	47	97 Å²	97	33%	0.329	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-39.6	179.1	76.7	0	0	0	0	111.6	L91 D92 E93 I98 E99	L91-S95 WeakPolarHBondContact O-CB 3.43Å; L91-S95 PolarHBondContact O-N 2.87Å; D92-S95 WeakPolarHBondContact O-CB 3.35Å; D92-S95 PolarHBondContact O-N 3.41Å; D92-S95 VanDerWaalsContact O-N 3.14Å; D92-S95 PolarHBondContact O-OG 3.2Å; E93-S95 VanDerWaalsContact C-N 3.32Å; E93-S95 PolarHBondContact O-N 2.91Å; S95-I98 PolarHBondContact O-N 2.97Å; S95-E99 WeakPolarHBondContact O-CG 3.34Å; S95-E99 PolarHBondContact O-N 3.43Å
96	V	61	Low	56.7	Low	75 Å²	75	95.8 Å²	95.8	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.8	177.8	0	0	0	0	110.1	D92 E93 L94 I98 E99 E100	D92-V96 PolarHBondContact O-N 3.38Å; E93-V96 PolarHBondContact O-N 2.95Å; L94-V96 VanDerWaalsContact C-N 3.33Å; V96-I98 VanDerWaalsContact C-N 3.32Å; V96-I98 PolarHBondContact O-N 3.35Å; V96-E99 PolarHBondContact O-N 3.32Å; V96-E99 VanDerWaalsContact O-N 3.17Å; V96-E100 WeakPolarHBondContact O-CG 3.39Å; V96-E100 PolarHBondContact O-N 2.87Å
97	E	52.7	Low	56.3	Low	79 Å²	79	94.5 Å²	94.5	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-39.9	177.1	-70.3	-178.5	179.8	0	0	112.6	E93 L94 E100 Y101 W193	E93-E97 PolarHBondContact O-N 3.4Å; L94-E97 PolarHBondContact O-N 2.85Å; E97-E100 PolarHBondContact O-N 2.92Å; E97-Y101 VanDerWaalsContact O-CB 3.26Å; E97-Y101 WeakPolarHBondContact O-CB 3.22Å; E97-Y101 PolarHBondContact O-N 2.94Å; E97-W193 HydrophobicContact CG-CZ3 4.14Å
98	I	55.1	Low	56.1	Low	77 Å²	77	95.8 Å²	95.8	40%	0.395	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-45.1	175.1	-72.6	170.2	0	0	0	109.8	L94 S95 V96 E100 Y101 F102	L94-I98 HydrophobicContact CD2-CD1 4.17Å; L94-I98 HydrophobicContact CG-CD1 3.94Å; L94-I98 HydrophobicContact CG-CG1 4.37Å; L94-I98 WeakPolarHBondContact O-CB 3.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.48Å; L94-I98 PolarHBondContact O-N 3.41Å; S95-I98 PolarHBondContact O-N 2.97Å; V96-I98 VanDerWaalsContact C-N 3.32Å; V96-I98 PolarHBondContact O-N 3.35Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-E100 PolarHBondContact O-N 3.49Å; I98-Y101 PolarHBondContact O-N 3.28Å; I98-F102 HydrophobicContact CG2-CD2 3.6Å; I98-F102 HydrophobicContact CG2-CE2 3.85Å; I98-F102 WeakPolarHBondContact O-CB 3.35Å; I98-F102 VanDerWaalsContact O-CD2 3.22Å; I98-F102 WeakPolarHBondContact O-CD2 3.46Å; I98-F102 PolarHBondContact O-N 3.46Å
99	E	59	Low	55.7	Low	144 Å²	144	95.5 Å²	95.5	67%	0.673	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-42.5	177.2	-77.1	-174.5	177.1	0	0	112.2	S95 V96 F102 N103	S95-E99 WeakPolarHBondContact O-CG 3.34Å; S95-E99 PolarHBondContact O-N 3.43Å; V96-E99 PolarHBondContact O-N 3.32Å; V96-E99 VanDerWaalsContact O-N 3.17Å; E99-F102 PolarHBondContact O-N 2.81Å; E99-N103 WeakPolarHBondContact O-CB 3.19Å; E99-N103 PolarHBondContact O-N 3.34Å
100	E	57.5	Low	54.8	Low	99 Å²	99	90.2 Å²	90.2	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-44.3	174.3	-71.4	-176.6	170.4	0	0	111.7	V96 E97 I98 F102 N103	V96-E100 WeakPolarHBondContact O-CG 3.39Å; V96-E100 PolarHBondContact O-N 2.87Å; E97-E100 PolarHBondContact O-N 2.92Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-E100 PolarHBondContact O-N 3.49Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 3.09Å; E100-N103 PolarHBondContact O-N 2.82Å
101	Y	50.8	Low	54.2	Low	116 Å²	116	91.5 Å²	91.5	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-36.8	177.8	-174.5	-91.8	0	0	0	112.6	E97 I98 W107	E97-Y101 VanDerWaalsContact O-CB 3.26Å; E97-Y101 WeakPolarHBondContact O-CB 3.22Å; E97-Y101 PolarHBondContact O-N 2.94Å; I98-Y101 PolarHBondContact O-N 3.28Å; Y101-W107 AromaticContact CD2-CZ2 3.71Å; Y101-W107 HydrophobicContact CD2-CZ2 3.71Å; Y101-W107 AromaticContact CE2-CZ2 3.87Å; Y101-W107 HydrophobicContact CE2-CZ2 3.87Å; Y101-W107 HydrophobicContact CG-CZ2 4.47Å; Y101-W107 PolarHBondContact O-NE1 3Å
102	F	50.6	Low	53.6	Low	138 Å²	138	93 Å²	93	61%	0.605	48%	0.483	S	S	*	.	H	α-helix	trans	-88.7	-3	179.3	-78.1	-75.4	0	0	0	113.8	I98 E99 E100 P104	I98-F102 HydrophobicContact CG2-CD2 3.6Å; I98-F102 HydrophobicContact CG2-CE2 3.85Å; I98-F102 WeakPolarHBondContact O-CB 3.35Å; I98-F102 VanDerWaalsContact O-CD2 3.22Å; I98-F102 WeakPolarHBondContact O-CD2 3.46Å; I98-F102 PolarHBondContact O-N 3.46Å; E99-F102 PolarHBondContact O-N 2.81Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 3.09Å; F102-P104 WeakPolarHBondContact O-CD 3.47Å
103	N	57.5	Low	52.7	Low	68 Å²	68	94.5 Å²	94.5	36%	0.364	49%	0.492	S	S	.	.			trans	-80.7	103.6	174.3	-170.8	-5.1	0	0	0	110.8	E99 E100 E105 F106 W107	E99-N103 WeakPolarHBondContact O-CB 3.19Å; E99-N103 PolarHBondContact O-N 3.34Å; E100-N103 PolarHBondContact O-N 2.82Å; N103-E105 PolarHBondContact O-N 3.37Å; N103-E105 WeakPolarHBondContact OD1-CB 3.46Å; N103-E105 PolarHBondContact OD1-N 2.94Å; N103-F106 HydrophobicContact CB-CB 4.13Å; N103-F106 VanDerWaalsContact O-CB 3.32Å; N103-F106 WeakPolarHBondContact O-CB 3.45Å; N103-F106 PolarHBondContact O-N 3.3Å; N103-F106 VanDerWaalsContact O-N 3.1Å; N103-W107 PolarHBondContact O-N 2.89Å
104	P	51	Low	52	Low	79 Å²	79	94.1 Å²	94.1	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-19.4	179.2	30.2	-35.9	0	0	0	112.6	F102 F106 W107 N108	F102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-F106 VanDerWaalsContact C-N 3.32Å; P104-W107 PolarHBondContact O-N 3.01Å; P104-N108 VanDerWaalsContact O-CB 3.26Å; P104-N108 WeakPolarHBondContact O-CB 3.5Å; P104-N108 PolarHBondContact O-N 3.32Å; P104-N108 PolarHBondContact O-ND2 3.15Å; P104-N108 VanDerWaalsContact O-ND2 3.08Å
105	E	58.3	Low	51	Low	146 Å²	146	99.9 Å²	99.9	68%	0.682	52%	0.524	S	S	*	.	H	α-helix	trans	-70.8	-31.7	175.3	-60.3	-176.5	173	0	0	111.3	N103 A109	N103-E105 PolarHBondContact O-N 3.37Å; N103-E105 WeakPolarHBondContact OD1-CB 3.46Å; N103-E105 PolarHBondContact OD1-N 2.94Å; E105-A109 VanDerWaalsContact O-CB 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.47Å; E105-A109 PolarHBondContact O-N 3.46Å
106	F	53.1	Low	50	Low	98 Å²	98	101.1 Å²	101.1	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-46.2	172.2	-174.1	-97.1	0	0	0	111	N103 P104 T110	N103-F106 HydrophobicContact CB-CB 4.13Å; N103-F106 VanDerWaalsContact O-CB 3.32Å; N103-F106 WeakPolarHBondContact O-CB 3.45Å; N103-F106 PolarHBondContact O-N 3.3Å; N103-F106 VanDerWaalsContact O-N 3.1Å; P104-F106 VanDerWaalsContact C-N 3.32Å; F106-T110 PolarHBondContact O-N 2.84Å; F106-T110 PolarHBondContact O-OG1 3.4Å
107	W	50.5	Low	49.1	Very low	81 Å²	81	100 Å²	100	31%	0.307	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-40.1	177	-66.1	105.9	0	0	0	113.4	Y101 N103 P104 T110 N111 H191	Y101-W107 AromaticContact CD2-CZ2 3.71Å; Y101-W107 HydrophobicContact CD2-CZ2 3.71Å; Y101-W107 AromaticContact CE2-CZ2 3.87Å; Y101-W107 HydrophobicContact CE2-CZ2 3.87Å; Y101-W107 HydrophobicContact CG-CZ2 4.47Å; Y101-W107 PolarHBondContact O-NE1 3Å; N103-W107 PolarHBondContact O-N 2.89Å; P104-W107 PolarHBondContact O-N 3.01Å; W107-T110 PolarHBondContact O-N 3.2Å; W107-N111 WeakPolarHBondContact O-CB 3.31Å; W107-N111 PolarHBondContact O-N 3.05Å; W107-H191 AromaticContact CH2-CE1 3.75Å
108	N	49	Very low	49.1	Very low	106 Å²	106	99.3 Å²	99.3	57%	0.567	54%	0.542	S	S	*	.	H	α-helix	trans	-71.3	-34.9	-179.8	-71.6	-28.4	0	0	0	112	P104 T110 S112	P104-N108 VanDerWaalsContact O-CB 3.26Å; P104-N108 WeakPolarHBondContact O-CB 3.5Å; P104-N108 PolarHBondContact O-N 3.32Å; P104-N108 PolarHBondContact O-ND2 3.15Å; P104-N108 VanDerWaalsContact O-ND2 3.08Å; N108-T110 VanDerWaalsContact C-N 3.29Å; N108-T110 PolarHBondContact O-N 2.95Å; N108-S112 WeakPolarHBondContact O-CB 3.43Å; N108-S112 PolarHBondContact O-N 2.86Å
109	A	50	Low	49.2	Very low	75 Å²	75	99.7 Å²	99.7	62%	0.62	54%	0.542	S	S	*	.	H	α-helix	trans	-65.3	-35.3	172.9	0	0	0	0	0	112	E105	E105-A109 VanDerWaalsContact O-CB 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.47Å; E105-A109 PolarHBondContact O-N 3.46Å
110	T	45.6	Very low	49.2	Very low	52 Å²	52	93 Å²	93	32%	0.319	51%	0.511	S	S	.	.	H	α-helix	trans	-80	-34.7	-179	-44.1	0	0	0	0	112.6	F106 W107 N108	F106-T110 PolarHBondContact O-N 2.84Å; F106-T110 PolarHBondContact O-OG1 3.4Å; W107-T110 PolarHBondContact O-N 3.2Å; N108-T110 VanDerWaalsContact C-N 3.29Å; N108-T110 PolarHBondContact O-N 2.95Å
111	N	42.8	Very low	49.1	Very low	97 Å²	97	89.5 Å²	89.5	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-94.4	-21.7	-177.8	-81.2	-11	0	0	0	115	W107 N113 N114	W107-N111 WeakPolarHBondContact O-CB 3.31Å; W107-N111 PolarHBondContact O-N 3.05Å; N111-N113 PolarHBondContact O-N 3.06Å; N111-N114 PolarHBondContact O-N 3.04Å
112	S	46	Very low	49.1	Very low	97 Å²	97	88.2 Å²	88.2	68%	0.678	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.8	-171.3	-167.7	0	0	0	0	114.8	N108	N108-S112 WeakPolarHBondContact O-CB 3.43Å; N108-S112 PolarHBondContact O-N 2.86Å
113	N	42.7	Very low	48.9	Very low	146 Å²	146	86.4 Å²	86.4	78%	0.781	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-4.4	176.6	-85.8	-9.3	0	0	0	114.9	N111	N111-N113 PolarHBondContact O-N 3.06Å
114	N	39.1	Very low	48.5	Very low	96 Å²	96	90.5 Å²	90.5	51%	0.513	53%	0.526	S	S	.	.			trans	-128.6	78	-175.2	-76.1	-22.2	0	0	0	111.9	N111 G116 A117	N111-N114 PolarHBondContact O-N 3.04Å; N114-G116 PolarHBondContact O-N 3.15Å; N114-A117 HydrophobicContact CB-CB 3.82Å
115	N	36.4	Very low	48.5	Very low	182 Å²	182	92 Å²	92	97%	0.973	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	66.8	161	-78.9	-27	0	0	0	110.3
116	G	41	Very low	48	Very low	73 Å²	73	90.9 Å²	90.9	75%	0.753	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	163.7	-9.3	174.3	0	0	0	0	0	118.1	N114	N114-G116 PolarHBondContact O-N 3.15Å
117	A	42.8	Very low	47.9	Very low	51 Å²	51	93.6 Å²	93.6	42%	0.421	55%	0.554	S	S	.	*			trans	-120.6	96.8	-158.9	0	0	0	0	0	114.6	N114	N114-A117 HydrophobicContact CB-CB 3.82Å
118	N	51.6	Low	48.2	Very low	64 Å²	64	91 Å²	91	34%	0.342	55%	0.547	S	S	.	.			trans	-124.7	46.6	160.6	-84.1	-24.2	0	0	0	109	S189	N118-S189 PolarHBondContact OD1-OG 2.91Å
119	Q	58.1	Low	49	Very low	85 Å²	85	93.7 Å²	93.7	40%	0.397	56%	0.557	S	S	.	*	S	Bend	trans	-136.7	136	-179.4	-66.9	177.9	28.3	0	0	107.9	H121 E177	Q119-H121 WeakPolarHBondContact CB-O 3.36Å; Q119-H121 PolarHBondContact O-N 3.15Å; Q119-E177 WeakPolarHBondContact CA-OE1 3.48Å; Q119-E177 WeakPolarHBondContact CA-OE2 3.44Å
120	F	58.7	Low	50.4	Low	5 Å²	5	95.2 Å²	95.2	2%	0.022	55%	0.551	C	S	.	*	S	Bend	trans	-66.1	-2.3	171.1	-67.2	-67.5	0	0	0	112.8	P134 L173 E177 L190	F120-P134 HydrophobicContact CE1-CB 3.95Å; F120-P134 HydrophobicContact CZ-CB 4.39Å; F120-L173 HydrophobicContact CB-CB 4.4Å; F120-L173 HydrophobicContact CD2-CB 4.29Å; F120-L173 HydrophobicContact CG-CB 4.36Å; F120-E177 HydrophobicContact CD2-CB 4.14Å; F120-E177 HydrophobicContact CD2-CG 4.5Å; F120-E177 WeakPolarHBondContact CD2-OE2 3.37Å; F120-E177 HydrophobicContact CE2-CB 4.42Å; F120-E177 PolarHBondContact N-OE2 3.28Å; F120-L190 HydrophobicContact CE2-CB 4.31Å; F120-L190 HydrophobicContact CZ-CB 4.46Å
121	H	55.9	Low	52.3	Low	24 Å²	24	92.8 Å²	92.8	11%	0.111	54%	0.536	C	S	.	.	S	Bend	trans	-139.4	146.7	-179	-58.4	-64.6	0	0	0	110.4	Q119 K170 F174	Q119-H121 WeakPolarHBondContact CB-O 3.36Å; Q119-H121 PolarHBondContact O-N 3.15Å; H121-K170 VanDerWaalsContact CE1-CD 3.45Å; H121-K170 WeakPolarHBondContact CE1-CD 3.39Å; H121-K170 WeakPolarHBondContact CE1-CG 3.2Å; H121-K170 VanDerWaalsContact ND1-CE 3.28Å; H121-K170 WeakPolarHBondContact ND1-CE 3.23Å; H121-K170 PolarHBondContact NE2-O 2.86Å; H121-F174 AromaticContact CD2-CD2 4Å
122	S	49.3	Very low	54.4	Low	89 Å²	89	89.7 Å²	89.7	62%	0.622	52%	0.519	S	S	*	.			trans	-79.8	131.1	165.8	-131.3	0	0	0	0	108.4	D124	S122-D124 PolarHBondContact O-N 2.78Å
123	P	48.2	Very low	56.2	Low	101 Å²	101	85.1 Å²	85.1	66%	0.656	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-5.1	-174.7	22.4	-30.8	0	0	0	114.8
124	D	49	Very low	58	Low	153 Å²	153	78.5 Å²	78.5	82%	0.818	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	9.6	-171.8	-91	-28.9	0	0	0	115.7	S122	S122-D124 PolarHBondContact O-N 2.78Å
125	E	49.8	Very low	60.1	Low	111 Å²	111	76.5 Å²	76.5	52%	0.519	44%	0.441	S	S	.	.			trans	-127	79.7	177.5	-68.5	-169.1	156.5	0	0	112.7	N127 S128	E125-N127 PolarHBondContact O-N 3.03Å; E125-S128 WeakPolarHBondContact CB-OG 3.48Å; E125-S128 PolarHBondContact O-N 2.84Å; E125-S128 WeakPolarHBondContact OE2-CB 3.29Å; E125-S128 PolarHBondContact OE2-OG 3.27Å
126	S	48.7	Very low	62.2	Low	122 Å²	122	69.1 Å²	69.1	85%	0.853	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	2	171	57.2	0	0	0	0	114.4
127	N	50.6	Low	64.1	Low	156 Å²	156	68.6 Å²	68.6	83%	0.834	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	3.4	-176.9	-89.7	-2.5	0	0	0	114.7	E125	E125-N127 PolarHBondContact O-N 3.03Å
128	S	57.4	Low	65.9	Low	25 Å²	25	71.7 Å²	71.7	18%	0.175	39%	0.387	C	S	.	.			trans	-87.1	124.3	173.6	59.8	0	0	0	0	111	E125 H130 K170	E125-S128 WeakPolarHBondContact CB-OG 3.48Å; E125-S128 PolarHBondContact O-N 2.84Å; E125-S128 WeakPolarHBondContact OE2-CB 3.29Å; E125-S128 PolarHBondContact OE2-OG 3.27Å; S128-H130 PolarHBondContact O-N 2.91Å; S128-H130 VanDerWaalsContact O-N 3.09Å; S128-K170 PolarHBondContact O-NZ 2.81Å
129	E	65.9	Low	67.5	Low	163 Å²	163	68.6 Å²	68.6	76%	0.762	37%	0.371	S	S	*	.			trans	-70.5	8.5	173.5	-68.4	-177.1	159.6	0	0	112.6
130	H	79.6	Confident	69	Low	107 Å²	107	70.1 Å²	70.1	50%	0.495	37%	0.373	S	S	.	.			trans	-85.1	126.8	-177	-61.5	-46.7	0	0	0	110.5	S128 Y140	S128-H130 PolarHBondContact O-N 2.91Å; S128-H130 VanDerWaalsContact O-N 3.09Å; H130-Y140 HydrophobicContact CB-CD1 3.64Å; H130-Y140 HydrophobicContact CB-CE1 3.85Å; H130-Y140 HydrophobicContact CB-CG 4.34Å
131	V	85.3	Confident	70.4	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.6	175.7	-173.2	0	0	0	0	107.4	Y140 L141 L166 I169 K170 L173	V131-Y140 CarbonylContact O-C 3.54Å; V131-Y140 WeakPolarHBondContact O-CA 3.14Å; V131-L141 HydrophobicContact CB-CB 4.22Å; V131-L141 HydrophobicContact CB-CD1 4.25Å; V131-L141 HydrophobicContact CB-CG 4.47Å; V131-L141 HydrophobicContact CG1-CD1 3.84Å; V131-L141 HydrophobicContact CG1-CG 4.47Å; V131-L141 PolarHBondContact O-N 2.89Å; V131-L166 HydrophobicContact CG2-CB 4.18Å; V131-L166 HydrophobicContact CG2-CD2 4.47Å; V131-I169 HydrophobicContact CG1-CG2 4.44Å; V131-K170 HydrophobicContact CG1-CB 4.45Å; V131-K170 HydrophobicContact CG2-CB 3.77Å; V131-K170 HydrophobicContact CG2-CD 4.17Å; V131-L173 HydrophobicContact CG1-CD1 3.68Å
132	L	85.5	Confident	72	Confident	33 Å²	33	71.8 Å²	71.8	17%	0.173	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.7	177.5	-73.8	170.9	0	0	0	110.8	P134 Y140	L132-P134 WeakPolarHBondContact O-CD 3.45Å; L132-Y140 HydrophobicContact CD2-CD1 3.88Å; L132-Y140 HydrophobicContact CD2-CE1 3.56Å; L132-Y140 HydrophobicContact CG-CD1 4.47Å; L132-Y140 HydrophobicContact CG-CE1 4.22Å
133	C	85.1	Confident	73.7	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.368	C	S	.	.			trans	-65.3	123	177.2	175.8	0	0	0	0	109.8	L135 R137 G139 L141 C150	C133-L135 VanDerWaalsContact C-N 3.25Å; C133-L135 PolarHBondContact O-N 2.79Å; C133-R137 WeakPolarHBondContact O-CA 3.48Å; C133-R137 PolarHBondContact O-N 2.92Å; C133-G139 WeakPolarHBondContact CB-O 3.38Å; C133-G139 PolarHBondContact N-O 3.21Å; C133-L141 HydrophobicContact CB-CD2 3.84Å; C133-L141 HydrophobicContact CB-CG 4.39Å; C133-C150 HydrophobicContact CB-CB 4.05Å; C133-C150 WeakPolarHBondContact CB-SG 3.47Å
134	P	81	Confident	75.5	Confident	8 Å²	8	70.6 Å²	70.6	5%	0.052	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-26	-176.1	30.1	-37.4	0	0	0	112.4	F120 L132 L173 A192 V224 L226	F120-P134 HydrophobicContact CE1-CB 3.95Å; F120-P134 HydrophobicContact CZ-CB 4.39Å; L132-P134 WeakPolarHBondContact O-CD 3.45Å; P134-L173 HydrophobicContact CB-CD1 4.46Å; P134-L173 HydrophobicContact CB-CD2 4.11Å; P134-L173 HydrophobicContact CG-CD1 4.45Å; P134-L173 HydrophobicContact CG-CD2 4.29Å; P134-A192 HydrophobicContact CB-CB 3.58Å; P134-A192 HydrophobicContact CG-CB 4.24Å; P134-A192 WeakPolarHBondContact O-CB 3.45Å; P134-V224 HydrophobicContact CG-CG1 4.05Å; P134-L226 HydrophobicContact CB-CD2 3.86Å
135	L	82	Confident	77.1	Confident	53 Å²	53	67.6 Å²	67.6	28%	0.277	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-55.9	177.9	-63.4	-174.3	0	0	0	112.7	C133 L155 A192 L194	C133-L135 VanDerWaalsContact C-N 3.25Å; C133-L135 PolarHBondContact O-N 2.79Å; L135-L155 HydrophobicContact CD1-CB 4.11Å; L135-L155 HydrophobicContact CD1-CD1 3.61Å; L135-L155 HydrophobicContact CD1-CG 4.35Å; L135-L155 HydrophobicContact CG-CD1 4.38Å; L135-A192 HydrophobicContact CD2-CB 3.93Å; L135-A192 WeakPolarHBondContact CD2-O 3.37Å; L135-L194 HydrophobicContact CD1-CB 4.19Å; L135-L194 HydrophobicContact CD2-CB 4.43Å
136	C	81.7	Confident	78.7	Confident	28 Å²	28	63.9 Å²	63.9	19%	0.189	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-17.7	-173.1	70.5	0	0	0	0	114.2	I138 G139 C150 C153	C136-I138 WeakPolarHBondContact O-CG1 3.08Å; C136-I138 PolarHBondContact O-N 3.25Å; C136-G139 PolarHBondContact SG-N 2.85Å; C136-C150 PolarHBondContact SG-SG 2.77Å; C136-C153 HydrophobicContact CB-CB 3.71Å
137	R	79.6	Confident	80.4	Confident	62 Å²	62	61.4 Å²	61.4	23%	0.234	32%	0.32	C	S	.	.	S	Bend	trans	55.1	9.1	-176.2	-60.3	178	163.1	-146.2	-8.6	115.8	C133 S189 L190	C133-R137 WeakPolarHBondContact O-CA 3.48Å; C133-R137 PolarHBondContact O-N 2.92Å; R137-S189 PolarHBondContact NH1-OG 2.97Å; R137-S189 VanDerWaalsContact NH2-CB 3.3Å; R137-S189 PolarHBondContact NH2-OG 3.36Å; R137-L190 PolarHBondContact NH2-O 3.19Å
138	I	82.2	Confident	82.1	Confident	115 Å²	115	54.2 Å²	54.2	59%	0.59	28%	0.282	S	S	*	.	S	Bend	trans	-108.7	-49	-178.2	-66.3	160.6	0	0	0	109.8	C136	C136-I138 WeakPolarHBondContact O-CG1 3.08Å; C136-I138 PolarHBondContact O-N 3.25Å
139	G	84.6	Confident	83.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-84.7	164.2	-177	0	0	0	0	0	113.4	C133 C136 S151 S152	C133-G139 WeakPolarHBondContact CB-O 3.38Å; C133-G139 PolarHBondContact N-O 3.21Å; C136-G139 PolarHBondContact SG-N 2.85Å; G139-S151 VanDerWaalsContact CA-OG 3.29Å; G139-S151 WeakPolarHBondContact CA-OG 3.27Å; G139-S152 VanDerWaalsContact CA-CB 3.45Å; G139-S152 WeakPolarHBondContact CA-OG 3.29Å
140	Y	89.1	Confident	84.8	Confident	116 Å²	116	47.8 Å²	47.8	46%	0.455	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.9	172.3	-61.7	-75.6	0	0	0	110.3	H130 V131 L132 S151	H130-Y140 HydrophobicContact CB-CD1 3.64Å; H130-Y140 HydrophobicContact CB-CE1 3.85Å; H130-Y140 HydrophobicContact CB-CG 4.34Å; V131-Y140 CarbonylContact O-C 3.54Å; V131-Y140 WeakPolarHBondContact O-CA 3.14Å; L132-Y140 HydrophobicContact CD2-CD1 3.88Å; L132-Y140 HydrophobicContact CD2-CE1 3.56Å; L132-Y140 HydrophobicContact CG-CD1 4.47Å; L132-Y140 HydrophobicContact CG-CE1 4.22Å; Y140-S151 PolarHBondContact N-OG 3.47Å; Y140-S151 PolarHBondContact O-N 3.19Å
141	L	88.6	Confident	85.3	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.3	170.9	-60.7	-179	0	0	0	110	V131 C133 L148 T149 C150 L155 L166 I169	V131-L141 HydrophobicContact CB-CB 4.22Å; V131-L141 HydrophobicContact CB-CD1 4.25Å; V131-L141 HydrophobicContact CB-CG 4.47Å; V131-L141 HydrophobicContact CG1-CD1 3.84Å; V131-L141 HydrophobicContact CG1-CG 4.47Å; V131-L141 PolarHBondContact O-N 2.89Å; C133-L141 HydrophobicContact CB-CD2 3.84Å; C133-L141 HydrophobicContact CB-CG 4.39Å; L141-L148 HydrophobicContact CB-CD1 4.01Å; L141-L148 HydrophobicContact CD1-CD1 4.37Å; L141-L148 HydrophobicContact CD1-CD2 4.26Å; L141-L148 HydrophobicContact CD2-CD2 4.41Å; L141-L148 HydrophobicContact CD2-CG 4.4Å; L141-T149 CarbonylContact C-O 3.58Å; L141-T149 VanDerWaalsContact CA-O 3.3Å; L141-T149 WeakPolarHBondContact CA-O 3.44Å; L141-C150 HydrophobicContact CD2-CB 4.47Å; L141-L155 HydrophobicContact CD2-CD2 3.37Å; L141-L166 HydrophobicContact CB-CD2 3.86Å; L141-I169 HydrophobicContact CD1-CG2 3.94Å
142	S	89	Confident	85.3	Confident	56 Å²	56	49.6 Å²	49.6	39%	0.392	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.5	169.2	42.6	0	0	0	0	109.6	T149	S142-T149 PolarHBondContact N-O 3.48Å; S142-T149 PolarHBondContact O-N 2.88Å; S142-T149 PolarHBondContact O-OG1 3.48Å; S142-T149 VanDerWaalsContact O-OG1 3.14Å; S142-T149 PolarHBondContact OG-OG1 2.85Å
143	M	85.9	Confident	85.3	Confident	44 Å²	44	50 Å²	50	22%	0.217	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	176.1	-167.2	87.1	177.5	0	0	109.1	S145 I147 L148 T159 L164 L166	M143-S145 WeakPolarHBondContact CE-O 3.42Å; M143-S145 WeakPolarHBondContact CG-O 3.37Å; M143-I147 WeakPolarHBondContact CA-O 3.48Å; M143-L148 HydrophobicContact CB-CD1 4.45Å; M143-L148 HydrophobicContact SD-CB 3.94Å; M143-L148 HydrophobicContact SD-CD1 3.85Å; M143-T159 HydrophobicContact CE-CG2 3.37Å; M143-T159 WeakPolarHBondContact CE-OG1 3.25Å; M143-T159 HydrophobicContact SD-CG2 4.08Å; M143-L164 WeakPolarHBondContact CE-O 3.2Å; M143-L166 HydrophobicContact CB-CD1 4.31Å; M143-L166 HydrophobicContact CB-CD2 4.03Å; M143-L166 HydrophobicContact CB-CG 3.8Å
144	N	84.4	Confident	85.1	Confident	122 Å²	122	55.6 Å²	55.6	65%	0.652	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	103.5	171.5	-173.6	15.1	0	0	0	109.1	T146 I147	N144-T146 PolarHBondContact O-N 3.46Å; N144-I147 PolarHBondContact N-O 3.42Å; N144-I147 PolarHBondContact O-N 3.3Å
145	S	82.9	Confident	85.2	Confident	90 Å²	90	55.4 Å²	55.4	63%	0.629	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-114.5	-167.9	-54.6	0	0	0	0	110.8	M143	M143-S145 WeakPolarHBondContact CE-O 3.42Å; M143-S145 WeakPolarHBondContact CG-O 3.37Å
146	T	83.2	Confident	85.3	Confident	32 Å²	32	57.5 Å²	57.5	20%	0.196	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.1	176	63.8	0	0	0	0	113.4	N144 D158 T159 D162	N144-T146 PolarHBondContact O-N 3.46Å; T146-D158 VanDerWaalsContact CB-OD1 3.25Å; T146-D158 WeakPolarHBondContact CB-OD1 3.11Å; T146-D158 CarbonylContact O-C 3.54Å; T146-D158 WeakPolarHBondContact O-CA 3.46Å; T146-D158 PolarHBondContact OG1-OD1 2.87Å; T146-T159 WeakPolarHBondContact CA-OG1 3.46Å; T146-T159 WeakPolarHBondContact CB-OG1 3.41Å; T146-T159 WeakPolarHBondContact O-CB 3Å; T146-T159 VanDerWaalsContact O-CG2 3.27Å; T146-T159 WeakPolarHBondContact O-CG2 3Å; T146-T159 PolarHBondContact O-N 2.78Å; T146-T159 PolarHBondContact O-OG1 3.03Å; T146-D162 WeakPolarHBondContact CG2-OD1 3.25Å
147	I	84.8	Confident	85.3	Confident	70 Å²	70	56.2 Å²	56.2	36%	0.359	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.2	-172.9	-51.5	-178.6	0	0	0	110.5	M143 N144 T149 N156 L157	M143-I147 WeakPolarHBondContact CA-O 3.48Å; N144-I147 PolarHBondContact N-O 3.42Å; N144-I147 PolarHBondContact O-N 3.3Å; I147-T149 HydrophobicContact CG2-CG2 3.93Å; I147-N156 WeakPolarHBondContact CG2-OD1 3.34Å; I147-L157 CarbonylContact C-O 3.6Å; I147-L157 VanDerWaalsContact CA-O 3.29Å; I147-L157 WeakPolarHBondContact CA-O 3.42Å
148	L	87.1	Confident	85.4	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.4	172.3	-172.7	73	0	0	0	110.3	L141 M143 L155 N156 L157 T159 L166 I169 V241	L141-L148 HydrophobicContact CB-CD1 4.01Å; L141-L148 HydrophobicContact CD1-CD1 4.37Å; L141-L148 HydrophobicContact CD1-CD2 4.26Å; L141-L148 HydrophobicContact CD2-CD2 4.41Å; L141-L148 HydrophobicContact CD2-CG 4.4Å; M143-L148 HydrophobicContact CB-CD1 4.45Å; M143-L148 HydrophobicContact SD-CB 3.94Å; M143-L148 HydrophobicContact SD-CD1 3.85Å; L148-L155 HydrophobicContact CD2-CD2 4.47Å; L148-N156 CarbonylContact O-C 3.56Å; L148-N156 WeakPolarHBondContact O-CA 3.2Å; L148-L157 HydrophobicContact CB-CB 4.25Å; L148-L157 HydrophobicContact CD2-CD1 4.32Å; L148-L157 PolarHBondContact N-O 3.35Å; L148-L157 PolarHBondContact O-N 3.22Å; L148-T159 HydrophobicContact CB-CG2 4.33Å; L148-L166 HydrophobicContact CD1-CD2 3.78Å; L148-I169 HydrophobicContact CD1-CD1 3.78Å; L148-I169 HydrophobicContact CD2-CD1 3.99Å; L148-I169 HydrophobicContact CG-CD1 4.5Å; L148-V241 HydrophobicContact CB-CG1 4.36Å; L148-V241 HydrophobicContact CD2-CG1 3.85Å
149	T	89.5	Confident	85	Confident	41 Å²	41	50.5 Å²	50.5	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.4	-178.4	48	0	0	0	0	111.5	L141 S142 I147 L155	L141-T149 CarbonylContact C-O 3.58Å; L141-T149 VanDerWaalsContact CA-O 3.3Å; L141-T149 WeakPolarHBondContact CA-O 3.44Å; S142-T149 PolarHBondContact N-O 3.48Å; S142-T149 PolarHBondContact O-N 2.88Å; S142-T149 PolarHBondContact O-OG1 3.48Å; S142-T149 VanDerWaalsContact O-OG1 3.14Å; S142-T149 PolarHBondContact OG-OG1 2.85Å; I147-T149 HydrophobicContact CG2-CG2 3.93Å; T149-L155 VanDerWaalsContact CA-O 3.3Å; T149-L155 WeakPolarHBondContact CA-O 3.43Å
150	C	89.1	Confident	84.4	Confident	13 Å²	13	55.6 Å²	55.6	9%	0.088	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.5	168.9	177.9	0	0	0	0	111.2	C133 C136 L141 S152 C153 L155	C133-C150 HydrophobicContact CB-CB 4.05Å; C133-C150 WeakPolarHBondContact CB-SG 3.47Å; C136-C150 PolarHBondContact SG-SG 2.77Å; L141-C150 HydrophobicContact CD2-CB 4.47Å; C150-S152 PolarHBondContact O-N 3.3Å; C150-S152 PolarHBondContact SG-N 2.84Å; C150-C153 WeakPolarHBondContact CB-SG 3.37Å; C150-C153 PolarHBondContact SG-N 3.08Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact SG-SG 3.14Å; C150-L155 HydrophobicContact CB-CB 3.7Å; C150-L155 HydrophobicContact CB-CD2 4.18Å; C150-L155 PolarHBondContact N-O 2.92Å; C150-L155 VanDerWaalsContact N-O 3.16Å
151	S	89.8	Confident	83.5	Confident	78 Å²	78	52.6 Å²	52.6	55%	0.545	32%	0.317	S	S	.	.	S	Bend	trans	-68.5	-11.7	176	67	0	0	0	0	115.1	G139 Y140	G139-S151 VanDerWaalsContact CA-OG 3.29Å; G139-S151 WeakPolarHBondContact CA-OG 3.27Å; Y140-S151 PolarHBondContact N-OG 3.47Å; Y140-S151 PolarHBondContact O-N 3.19Å
152	S	86.9	Confident	82.5	Confident	68 Å²	68	58.4 Å²	58.4	48%	0.476	35%	0.348	S	S	.	.	S	Bend	trans	-135.8	-5.5	-169.2	-53.9	0	0	0	0	115	G139 C150	G139-S152 VanDerWaalsContact CA-CB 3.45Å; G139-S152 WeakPolarHBondContact CA-OG 3.29Å; C150-S152 PolarHBondContact O-N 3.3Å; C150-S152 PolarHBondContact SG-N 2.84Å
153	C	84.4	Confident	81.6	Confident	40 Å²	40	59.8 Å²	59.8	27%	0.27	36%	0.358	S	S	.	.	S	Bend	trans	-138.4	175.4	172	73.3	0	0	0	0	111	C136 C150 L155	C136-C153 HydrophobicContact CB-CB 3.71Å; C150-C153 WeakPolarHBondContact CB-SG 3.37Å; C150-C153 PolarHBondContact SG-N 3.08Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact SG-SG 3.14Å; C153-L155 PolarHBondContact O-N 3.04Å; C153-L155 VanDerWaalsContact O-N 3.12Å
154	S	82	Confident	81.2	Confident	118 Å²	118	59.4 Å²	59.4	83%	0.825	36%	0.356	S	S	*	.			trans	-76.5	14.7	-177.9	55.4	0	0	0	0	114.8	N156	S154-N156 PolarHBondContact O-N 2.8Å; S154-N156 VanDerWaalsContact O-N 3.17Å
155	L	82.8	Confident	81.1	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	34%	0.344	C	S	.	.			trans	-61.2	119.8	175.3	-179	71	0	0	0	109.4	L135 L141 L148 T149 C150 C153 L157 L194 V224	L135-L155 HydrophobicContact CD1-CB 4.11Å; L135-L155 HydrophobicContact CD1-CD1 3.61Å; L135-L155 HydrophobicContact CD1-CG 4.35Å; L135-L155 HydrophobicContact CG-CD1 4.38Å; L141-L155 HydrophobicContact CD2-CD2 3.37Å; L148-L155 HydrophobicContact CD2-CD2 4.47Å; T149-L155 VanDerWaalsContact CA-O 3.3Å; T149-L155 WeakPolarHBondContact CA-O 3.43Å; C150-L155 HydrophobicContact CB-CB 3.7Å; C150-L155 HydrophobicContact CB-CD2 4.18Å; C150-L155 PolarHBondContact N-O 2.92Å; C150-L155 VanDerWaalsContact N-O 3.16Å; C153-L155 PolarHBondContact O-N 3.04Å; C153-L155 VanDerWaalsContact O-N 3.12Å; L155-L157 HydrophobicContact CD1-CD1 3.82Å; L155-L157 HydrophobicContact CD1-CD2 4.33Å; L155-L157 HydrophobicContact CD1-CG 3.71Å; L155-L157 HydrophobicContact CG-CG 4.42Å; L155-L194 HydrophobicContact CD1-CD1 3.98Å; L155-V224 HydrophobicContact CD1-CG2 3.86Å
156	N	84	Confident	81.2	Confident	96 Å²	96	54.7 Å²	54.7	51%	0.513	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	86.8	177.4	-175.2	9.9	0	0	0	109.8	I147 L148 S154	I147-N156 WeakPolarHBondContact CG2-OD1 3.34Å; L148-N156 CarbonylContact O-C 3.56Å; L148-N156 WeakPolarHBondContact O-CA 3.2Å; S154-N156 PolarHBondContact O-N 2.8Å; S154-N156 VanDerWaalsContact O-N 3.17Å
157	L	80.7	Confident	81.3	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.9	-176.3	-62.3	178	0	0	0	111	I147 L148 L155 L194 E222 V224 V241	I147-L157 CarbonylContact C-O 3.6Å; I147-L157 VanDerWaalsContact CA-O 3.29Å; I147-L157 WeakPolarHBondContact CA-O 3.42Å; L148-L157 HydrophobicContact CB-CB 4.25Å; L148-L157 HydrophobicContact CD2-CD1 4.32Å; L148-L157 PolarHBondContact N-O 3.35Å; L148-L157 PolarHBondContact O-N 3.22Å; L155-L157 HydrophobicContact CD1-CD1 3.82Å; L155-L157 HydrophobicContact CD1-CD2 4.33Å; L155-L157 HydrophobicContact CD1-CG 3.71Å; L155-L157 HydrophobicContact CG-CG 4.42Å; L157-L194 HydrophobicContact CD2-CD1 3.52Å; L157-L194 HydrophobicContact CG-CD1 4.36Å; L157-E222 HydrophobicContact CD2-CB 3.16Å; L157-E222 HydrophobicContact CD2-CG 4.35Å; L157-E222 WeakPolarHBondContact CD2-O 3.49Å; L157-V224 HydrophobicContact CD1-CB 4.47Å; L157-V224 HydrophobicContact CD1-CG2 3.66Å; L157-V241 HydrophobicContact CB-CG1 4.45Å; L157-V241 HydrophobicContact CD1-CB 3.97Å; L157-V241 HydrophobicContact CD1-CG1 3.91Å
158	D	81.5	Confident	81.2	Confident	50 Å²	50	57.6 Å²	57.6	27%	0.267	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	107.4	162.1	-177.8	8.3	0	0	0	108.6	T146 Q160 K219	T146-D158 VanDerWaalsContact CB-OD1 3.25Å; T146-D158 WeakPolarHBondContact CB-OD1 3.11Å; T146-D158 CarbonylContact O-C 3.54Å; T146-D158 WeakPolarHBondContact O-CA 3.46Å; T146-D158 PolarHBondContact OG1-OD1 2.87Å; D158-Q160 WeakPolarHBondContact O-CG 3.42Å; D158-Q160 PolarHBondContact O-N 3.16Å; D158-Q160 VanDerWaalsContact O-N 3.16Å; D158-Q160 PolarHBondContact OD1-N 3.13Å; D158-Q160 VanDerWaalsContact OD1-N 3.13Å; D158-K219 WeakPolarHBondContact OD2-CE 3.34Å; D158-K219 IonicContact OD2-NZ 2.9Å; D158-K219 PolarHBondContact OD2-NZ 3.5Å
159	T	74.2	Confident	81	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.049	35%	0.345	C	S	.	.			trans	-65.8	-15	-178.7	68.3	0	0	0	0	112.8	M143 T146 L148 T161 V241	M143-T159 HydrophobicContact CE-CG2 3.37Å; M143-T159 WeakPolarHBondContact CE-OG1 3.25Å; M143-T159 HydrophobicContact SD-CG2 4.08Å; T146-T159 WeakPolarHBondContact CA-OG1 3.46Å; T146-T159 WeakPolarHBondContact CB-OG1 3.41Å; T146-T159 WeakPolarHBondContact O-CB 3Å; T146-T159 VanDerWaalsContact O-CG2 3.27Å; T146-T159 WeakPolarHBondContact O-CG2 3Å; T146-T159 PolarHBondContact O-N 2.78Å; T146-T159 PolarHBondContact O-OG1 3.03Å; L148-T159 HydrophobicContact CB-CG2 4.33Å; T159-T161 WeakPolarHBondContact O-CG2 3.13Å; T159-T161 PolarHBondContact O-N 2.74Å; T159-T161 PolarHBondContact OG1-N 3.32Å; T159-T161 PolarHBondContact OG1-O 3.27Å; T159-V241 WeakPolarHBondContact CA-OXT 3.42Å; T159-V241 WeakPolarHBondContact CB-OXT 3.29Å; T159-V241 HydrophobicContact CG2-CG1 3.29Å
160	Q	72.1	Confident	80.8	Confident	107 Å²	107	58 Å²	58	50%	0.5	34%	0.343	S	S	.	.	S	Bend	trans	56	3.3	-175.9	-46.8	-172	10.5	0	0	114.6	D158 T221	D158-Q160 WeakPolarHBondContact O-CG 3.42Å; D158-Q160 PolarHBondContact O-N 3.16Å; D158-Q160 VanDerWaalsContact O-N 3.16Å; D158-Q160 PolarHBondContact OD1-N 3.13Å; D158-Q160 VanDerWaalsContact OD1-N 3.13Å; Q160-T221 PolarHBondContact NE2-OG1 3.01Å
161	T	70.3	Confident	80.5	Confident	52 Å²	52	60.2 Å²	60.2	32%	0.319	36%	0.359	S	S	.	.			trans	-140.5	130.3	-179.9	-175.9	0	0	0	0	111.2	T159 S163 L164	T159-T161 WeakPolarHBondContact O-CG2 3.13Å; T159-T161 PolarHBondContact O-N 2.74Å; T159-T161 PolarHBondContact OG1-N 3.32Å; T159-T161 PolarHBondContact OG1-O 3.27Å; T161-S163 PolarHBondContact O-N 2.97Å; T161-S163 PolarHBondContact OG1-N 2.83Å; T161-S163 PolarHBondContact OG1-OG 2.72Å; T161-L164 HydrophobicContact CG2-CB 4.37Å; T161-L164 HydrophobicContact CG2-CD1 3.79Å; T161-L164 HydrophobicContact CG2-CG 3.82Å
162	D	67.5	Low	80.2	Confident	130 Å²	130	58 Å²	58	70%	0.695	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.4	173.4	-66.4	-35.2	0	0	0	112.5	T146 L164	T146-D162 WeakPolarHBondContact CG2-OD1 3.25Å; D162-L164 VanDerWaalsContact C-N 3.31Å
163	S	71	Confident	80	Confident	86 Å²	86	54.9 Å²	54.9	60%	0.601	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.3	-179.4	65.2	0	0	0	0	113.7	T161	T161-S163 PolarHBondContact O-N 2.97Å; T161-S163 PolarHBondContact OG1-N 2.83Å; T161-S163 PolarHBondContact OG1-OG 2.72Å
164	L	77.4	Confident	79.8	Confident	35 Å²	35	58 Å²	58	18%	0.183	33%	0.33	C	S	.	.			trans	-89.4	130	176	-69.9	174.8	0	0	0	110.1	M143 T161 D162 T168 V241	M143-L164 WeakPolarHBondContact CE-O 3.2Å; T161-L164 HydrophobicContact CG2-CB 4.37Å; T161-L164 HydrophobicContact CG2-CD1 3.79Å; T161-L164 HydrophobicContact CG2-CG 3.82Å; D162-L164 VanDerWaalsContact C-N 3.31Å; L164-T168 HydrophobicContact CD2-CG2 4.2Å; L164-V241 WeakPolarHBondContact CD1-OXT 3.46Å
165	N	81.9	Confident	79.7	Confident	75 Å²	75	56.2 Å²	56.2	40%	0.401	31%	0.312	S	S	.	.			trans	-131	165.4	173.3	62.9	51.1	0	0	0	109.6	T167 T168 I169	N165-T167 PolarHBondContact O-N 3.18Å; N165-T167 VanDerWaalsContact O-N 3.15Å; N165-T167 WeakPolarHBondContact OD1-CA 3.36Å; N165-T167 WeakPolarHBondContact OD1-CB 3.3Å; N165-T167 PolarHBondContact OD1-N 3.03Å; N165-T168 PolarHBondContact O-N 3.35Å; N165-T168 PolarHBondContact OD1-N 3.21Å; N165-T168 PolarHBondContact OD1-OG1 2.73Å; N165-I169 PolarHBondContact O-N 3.43Å
166	L	85.3	Confident	79.5	Confident	38 Å²	38	56.2 Å²	56.2	20%	0.199	31%	0.312	C	S	.	.	H	α-helix	trans	-57.2	-31.1	-179.3	-70.1	175.8	0	0	0	112.5	V131 L141 M143 L148 I169 K170	V131-L166 HydrophobicContact CG2-CB 4.18Å; V131-L166 HydrophobicContact CG2-CD2 4.47Å; L141-L166 HydrophobicContact CB-CD2 3.86Å; M143-L166 HydrophobicContact CB-CD1 4.31Å; M143-L166 HydrophobicContact CB-CD2 4.03Å; M143-L166 HydrophobicContact CB-CG 3.8Å; L148-L166 HydrophobicContact CD1-CD2 3.78Å; L166-I169 PolarHBondContact O-N 3.38Å; L166-K170 WeakPolarHBondContact O-CB 3.47Å; L166-K170 PolarHBondContact O-N 3.43Å
167	T	84.8	Confident	79.2	Confident	99 Å²	99	52 Å²	52	61%	0.607	29%	0.29	S	S	*	.	H	α-helix	trans	-66.7	-41.7	176.9	-49.1	0	0	0	0	112.1	N165 K170 S171	N165-T167 PolarHBondContact O-N 3.18Å; N165-T167 VanDerWaalsContact O-N 3.15Å; N165-T167 WeakPolarHBondContact OD1-CA 3.36Å; N165-T167 WeakPolarHBondContact OD1-CB 3.3Å; N165-T167 PolarHBondContact OD1-N 3.03Å; T167-K170 WeakPolarHBondContact O-CB 3.41Å; T167-S171 WeakPolarHBondContact O-CB 3.38Å; T167-S171 PolarHBondContact O-N 2.92Å; T167-S171 PolarHBondContact O-OG 2.74Å
168	T	83.3	Confident	79.1	Confident	64 Å²	64	54.4 Å²	54.4	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-44.3	175.2	-52.8	0	0	0	0	110.7	L164 N165 S171 S172	L164-T168 HydrophobicContact CD2-CG2 4.2Å; N165-T168 PolarHBondContact O-N 3.35Å; N165-T168 PolarHBondContact OD1-N 3.21Å; N165-T168 PolarHBondContact OD1-OG1 2.73Å; T168-S171 PolarHBondContact O-N 3.38Å; T168-S172 WeakPolarHBondContact O-CB 3.24Å; T168-S172 PolarHBondContact O-N 2.81Å
169	I	83.4	Confident	78.9	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-46.6	176.7	-63.7	165	0	0	0	110.2	V131 L141 L148 N165 L166 S171 S172 L173	V131-I169 HydrophobicContact CG1-CG2 4.44Å; L141-I169 HydrophobicContact CD1-CG2 3.94Å; L148-I169 HydrophobicContact CD1-CD1 3.78Å; L148-I169 HydrophobicContact CD2-CD1 3.99Å; L148-I169 HydrophobicContact CG-CD1 4.5Å; N165-I169 PolarHBondContact O-N 3.43Å; L166-I169 PolarHBondContact O-N 3.38Å; I169-S171 VanDerWaalsContact C-N 3.32Å; I169-S171 PolarHBondContact O-N 2.73Å; I169-S172 PolarHBondContact O-N 2.89Å; I169-L173 HydrophobicContact CG2-CD1 4.18Å; I169-L173 HydrophobicContact CG2-CG 4.28Å; I169-L173 WeakPolarHBondContact O-CG 3.49Å; I169-L173 PolarHBondContact O-N 2.96Å
170	K	84.7	Confident	79	Confident	51 Å²	51	57.8 Å²	57.8	22%	0.222	32%	0.316	C	S	.	.	H	α-helix	trans	-52.2	-49.3	174.7	168.5	143.9	-175.6	172	0	112	H121 S128 V131 L166 T167 F174	H121-K170 VanDerWaalsContact CE1-CD 3.45Å; H121-K170 WeakPolarHBondContact CE1-CD 3.39Å; H121-K170 WeakPolarHBondContact CE1-CG 3.2Å; H121-K170 VanDerWaalsContact ND1-CE 3.28Å; H121-K170 WeakPolarHBondContact ND1-CE 3.23Å; H121-K170 PolarHBondContact NE2-O 2.86Å; S128-K170 PolarHBondContact O-NZ 2.81Å; V131-K170 HydrophobicContact CG1-CB 4.45Å; V131-K170 HydrophobicContact CG2-CB 3.77Å; V131-K170 HydrophobicContact CG2-CD 4.17Å; L166-K170 WeakPolarHBondContact O-CB 3.47Å; L166-K170 PolarHBondContact O-N 3.43Å; T167-K170 WeakPolarHBondContact O-CB 3.41Å; K170-F174 WeakPolarHBondContact O-CB 3.44Å; K170-F174 PolarHBondContact O-N 2.82Å
171	S	82.6	Confident	79.3	Confident	59 Å²	59	58.1 Å²	58.1	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-43.7	-179.9	-54.6	0	0	0	0	111.2	T167 T168 I169 F174 D175	T167-S171 WeakPolarHBondContact O-CB 3.38Å; T167-S171 PolarHBondContact O-N 2.92Å; T167-S171 PolarHBondContact O-OG 2.74Å; T168-S171 PolarHBondContact O-N 3.38Å; I169-S171 VanDerWaalsContact C-N 3.32Å; I169-S171 PolarHBondContact O-N 2.73Å; S171-F174 PolarHBondContact O-N 3.32Å; S171-D175 WeakPolarHBondContact O-CB 3.47Å; S171-D175 PolarHBondContact O-N 2.84Å
172	S	82.9	Confident	79.7	Confident	31 Å²	31	61 Å²	61	22%	0.217	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-47.8	177.2	-172.8	0	0	0	0	112.4	T168 I169 F174 D175 A176 M237	T168-S172 WeakPolarHBondContact O-CB 3.24Å; T168-S172 PolarHBondContact O-N 2.81Å; I169-S172 PolarHBondContact O-N 2.89Å; S172-F174 VanDerWaalsContact C-N 3.31Å; S172-F174 PolarHBondContact O-N 3.47Å; S172-D175 PolarHBondContact O-N 2.9Å; S172-A176 PolarHBondContact O-N 2.95Å; S172-M237 VanDerWaalsContact O-SD 3.34Å; S172-M237 PolarHBondContact OG-SD 2.88Å
173	L	82.8	Confident	80	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-41	176.3	-67	-176.3	0	0	0	111.9	F120 V131 P134 I169 A176 E177 L226	F120-L173 HydrophobicContact CB-CB 4.4Å; F120-L173 HydrophobicContact CD2-CB 4.29Å; F120-L173 HydrophobicContact CG-CB 4.36Å; V131-L173 HydrophobicContact CG1-CD1 3.68Å; P134-L173 HydrophobicContact CB-CD1 4.46Å; P134-L173 HydrophobicContact CB-CD2 4.11Å; P134-L173 HydrophobicContact CG-CD1 4.45Å; P134-L173 HydrophobicContact CG-CD2 4.29Å; I169-L173 HydrophobicContact CG2-CD1 4.18Å; I169-L173 HydrophobicContact CG2-CG 4.28Å; I169-L173 WeakPolarHBondContact O-CG 3.49Å; I169-L173 PolarHBondContact O-N 2.96Å; L173-A176 WeakPolarHBondContact O-CB 3.31Å; L173-A176 PolarHBondContact O-N 2.72Å; L173-E177 WeakPolarHBondContact O-CB 3.37Å; L173-E177 PolarHBondContact O-N 3.48Å; L173-L226 HydrophobicContact CD2-CD1 3.58Å; L173-L226 HydrophobicContact CD2-CD2 4.17Å; L173-L226 HydrophobicContact CD2-CG 4.42Å
174	F	80.4	Confident	80	Confident	106 Å²	106	55.8 Å²	55.8	47%	0.465	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-42.4	177.7	-178.1	-96	0	0	0	112.2	H121 K170 S171 S172 A176 E177 T178	H121-F174 AromaticContact CD2-CD2 4Å; K170-F174 WeakPolarHBondContact O-CB 3.44Å; K170-F174 PolarHBondContact O-N 2.82Å; S171-F174 PolarHBondContact O-N 3.32Å; S172-F174 VanDerWaalsContact C-N 3.31Å; S172-F174 PolarHBondContact O-N 3.47Å; F174-A176 VanDerWaalsContact C-N 3.31Å; F174-A176 PolarHBondContact O-N 3.38Å; F174-E177 PolarHBondContact O-N 3.27Å; F174-T178 WeakPolarHBondContact CE1-OG1 3.35Å; F174-T178 WeakPolarHBondContact O-CB 3.33Å; F174-T178 PolarHBondContact O-N 2.87Å; F174-T178 PolarHBondContact O-OG1 3.11Å
175	D	80.8	Confident	79.6	Confident	81 Å²	81	54.9 Å²	54.9	43%	0.433	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-39	175.5	-76.7	-10.2	0	0	0	111.2	S171 S172 K179 M237	S171-D175 WeakPolarHBondContact O-CB 3.47Å; S171-D175 PolarHBondContact O-N 2.84Å; S172-D175 PolarHBondContact O-N 2.9Å; D175-K179 WeakPolarHBondContact O-CB 3.45Å; D175-K179 VanDerWaalsContact O-CG 3.22Å; D175-K179 WeakPolarHBondContact O-CG 3.34Å; D175-K179 PolarHBondContact O-N 3.31Å; D175-M237 HydrophobicContact CB-CE 4.38Å
176	A	77.6	Confident	78.9	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-50.7	175	0	0	0	0	0	111.1	S172 L173 F174 T178 K179 H180 L190 L226 M237	S172-A176 PolarHBondContact O-N 2.95Å; L173-A176 WeakPolarHBondContact O-CB 3.31Å; L173-A176 PolarHBondContact O-N 2.72Å; F174-A176 VanDerWaalsContact C-N 3.31Å; F174-A176 PolarHBondContact O-N 3.38Å; A176-T178 VanDerWaalsContact C-N 3.35Å; A176-T178 PolarHBondContact O-N 2.91Å; A176-K179 PolarHBondContact O-N 2.84Å; A176-H180 WeakPolarHBondContact O-CB 3.32Å; A176-H180 PolarHBondContact O-N 3.29Å; A176-L190 VanDerWaalsContact C-CD1 3.44Å; A176-L190 HydrophobicContact CB-CD1 4.11Å; A176-L190 VanDerWaalsContact O-CD1 3.28Å; A176-L190 WeakPolarHBondContact O-CD1 3.49Å; A176-L226 HydrophobicContact CB-CD1 3.71Å; A176-M237 HydrophobicContact CB-CB 4.26Å; A176-M237 HydrophobicContact CB-CE 3.43Å; A176-M237 VanDerWaalsContact CB-CE 3.43Å; A176-M237 HydrophobicContact CB-SD 3.65Å; A176-M237 VanDerWaalsContact N-CE 3.34Å
177	E	77.6	Confident	78	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-44.1	-180	-174.2	155.5	-125.6	0	0	112.1	Q119 F120 L173 F174 H180 Q181 L190	Q119-E177 WeakPolarHBondContact CA-OE1 3.48Å; Q119-E177 WeakPolarHBondContact CA-OE2 3.44Å; F120-E177 HydrophobicContact CD2-CB 4.14Å; F120-E177 HydrophobicContact CD2-CG 4.5Å; F120-E177 WeakPolarHBondContact CD2-OE2 3.37Å; F120-E177 HydrophobicContact CE2-CB 4.42Å; F120-E177 PolarHBondContact N-OE2 3.28Å; L173-E177 WeakPolarHBondContact O-CB 3.37Å; L173-E177 PolarHBondContact O-N 3.48Å; F174-E177 PolarHBondContact O-N 3.27Å; E177-H180 PolarHBondContact O-N 2.93Å; E177-Q181 WeakPolarHBondContact O-CB 3.3Å; E177-Q181 VanDerWaalsContact O-CG 3.29Å; E177-Q181 WeakPolarHBondContact O-CG 3.42Å; E177-Q181 PolarHBondContact O-N 2.95Å; E177-L190 HydrophobicContact CB-CD1 4.41Å
178	T	78.7	Confident	77.2	Confident	50 Å²	50	57 Å²	57	31%	0.307	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-44.1	177	-56.7	0	0	0	0	111.5	F174 A176 H180 Q181 T182	F174-T178 WeakPolarHBondContact CE1-OG1 3.35Å; F174-T178 WeakPolarHBondContact O-CB 3.33Å; F174-T178 PolarHBondContact O-N 2.87Å; F174-T178 PolarHBondContact O-OG1 3.11Å; A176-T178 VanDerWaalsContact C-N 3.35Å; A176-T178 PolarHBondContact O-N 2.91Å; T178-H180 VanDerWaalsContact C-N 3.33Å; T178-H180 PolarHBondContact O-N 3.19Å; T178-Q181 PolarHBondContact O-N 2.8Å; T178-T182 HydrophobicContact CG2-CG2 4.45Å; T178-T182 WeakPolarHBondContact O-CB 3.26Å; T178-T182 VanDerWaalsContact O-CG2 3.31Å; T178-T182 WeakPolarHBondContact O-CG2 3.46Å; T178-T182 PolarHBondContact O-N 3.42Å; T178-T182 PolarHBondContact O-OG1 2.81Å
179	K	78.5	Confident	76.4	Confident	120 Å²	120	54.5 Å²	54.5	52%	0.522	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.6	-76	171.2	-177	171.6	0	112	D175 A176 T182 S183 M237	D175-K179 WeakPolarHBondContact O-CB 3.45Å; D175-K179 VanDerWaalsContact O-CG 3.22Å; D175-K179 WeakPolarHBondContact O-CG 3.34Å; D175-K179 PolarHBondContact O-N 3.31Å; A176-K179 PolarHBondContact O-N 2.84Å; K179-T182 WeakPolarHBondContact CA-OG1 3.16Å; K179-T182 PolarHBondContact O-N 2.94Å; K179-T182 PolarHBondContact O-OG1 3.17Å; K179-S183 WeakPolarHBondContact O-CB 3.41Å; K179-S183 PolarHBondContact O-N 3.35Å; K179-M237 HydrophobicContact CD-CE 4.12Å
180	H	76	Confident	75.9	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-68.8	-36.7	177.6	167.3	76.5	0	0	0	113.2	A176 E177 T178 S183 C185 N187 L190 C228	A176-H180 WeakPolarHBondContact O-CB 3.32Å; A176-H180 PolarHBondContact O-N 3.29Å; E177-H180 PolarHBondContact O-N 2.93Å; T178-H180 VanDerWaalsContact C-N 3.33Å; T178-H180 PolarHBondContact O-N 3.19Å; H180-S183 PolarHBondContact O-OG 2.94Å; H180-C185 WeakPolarHBondContact CE1-CB 3.45Å; H180-C185 VanDerWaalsContact CE1-SG 3.54Å; H180-N187 PolarHBondContact CE1-O 3.42Å; H180-N187 VanDerWaalsContact CE1-O 3.24Å; H180-N187 PolarHBondContact NE2-O 2.87Å; H180-L190 HydrophobicContact CB-CD1 3.24Å; H180-L190 HydrophobicContact CB-CG 3.84Å; H180-C228 PolarHBondContact CE1-SG 3.17Å; H180-C228 WeakPolarHBondContact ND1-CB 3.49Å; H180-C228 PolarHBondContact ND1-SG 2.87Å
181	Q	77	Confident	75.2	Confident	114 Å²	114	54 Å²	54	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-70.3	-38.8	174.3	-71.3	174.9	7	0	0	111.8	E177 T178	E177-Q181 WeakPolarHBondContact O-CB 3.3Å; E177-Q181 VanDerWaalsContact O-CG 3.29Å; E177-Q181 WeakPolarHBondContact O-CG 3.42Å; E177-Q181 PolarHBondContact O-N 2.95Å; T178-Q181 PolarHBondContact O-N 2.8Å
182	T	79.9	Confident	74.6	Confident	111 Å²	111	51.8 Å²	51.8	68%	0.681	30%	0.301	S	S	*	.	H	α-helix	trans	-79.7	-18.1	-178.3	53.2	0	0	0	0	114.1	T178 K179 G184	T178-T182 HydrophobicContact CG2-CG2 4.45Å; T178-T182 WeakPolarHBondContact O-CB 3.26Å; T178-T182 VanDerWaalsContact O-CG2 3.31Å; T178-T182 WeakPolarHBondContact O-CG2 3.46Å; T178-T182 PolarHBondContact O-N 3.42Å; T178-T182 PolarHBondContact O-OG1 2.81Å; K179-T182 WeakPolarHBondContact CA-OG1 3.16Å; K179-T182 PolarHBondContact O-N 2.94Å; K179-T182 PolarHBondContact O-OG1 3.17Å; T182-G184 PolarHBondContact O-N 3.43Å
183	S	73.1	Confident	74	Confident	50 Å²	50	54.7 Å²	54.7	35%	0.35	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.4	175.1	68.5	0	0	0	0	113.7	K179 H180 C185 C234	K179-S183 WeakPolarHBondContact O-CB 3.41Å; K179-S183 PolarHBondContact O-N 3.35Å; H180-S183 PolarHBondContact O-OG 2.94Å; S183-C185 PolarHBondContact OG-N 3.46Å; S183-C234 PolarHBondContact OG-SG 2.93Å
184	G	71.3	Confident	73.3	Confident	57 Å²	57	57.8 Å²	57.8	59%	0.588	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	26.9	-172	0	0	0	0	0	113.8	T182	T182-G184 PolarHBondContact O-N 3.43Å
185	C	70	Confident	72.6	Confident	17 Å²	17	56 Å²	56	12%	0.115	32%	0.317	C	S	.	.			trans	-53	127.2	172	-145.6	0	0	0	0	107.6	H180 S183 N187 C228 C231 C234	H180-C185 WeakPolarHBondContact CE1-CB 3.45Å; H180-C185 VanDerWaalsContact CE1-SG 3.54Å; S183-C185 PolarHBondContact OG-N 3.46Å; C185-N187 PolarHBondContact O-N 3.42Å; C185-C228 VanDerWaalsContact CB-SG 3.58Å; C185-C228 VanDerWaalsContact SG-CB 3.51Å; C185-C228 CovalentContact SG-SG 2.15Å; C185-C228 PolarHBondContact SG-SG 2.92Å; C185-C231 HydrophobicContact CB-CB 4.26Å; C185-C231 WeakPolarHBondContact SG-CB 3.39Å; C185-C234 WeakPolarHBondContact CB-SG 3.27Å; C185-C234 PolarHBondContact SG-SG 2.91Å
186	P	65.8	Low	71.7	Confident	105 Å²	105	55.6 Å²	55.6	68%	0.682	32%	0.315	S	S	*	.	S	Bend	trans	-65.3	-17.9	173.1	27.5	-34.2	0	0	0	111.6
187	N	67.7	Low	70.4	Confident	47 Å²	47	59.2 Å²	59.2	25%	0.251	33%	0.332	S	S	.	.	S	Bend	trans	-80.9	132.7	175.1	-75.8	11.8	0	0	0	111.4	H180 C185 S189 G230	H180-N187 PolarHBondContact CE1-O 3.42Å; H180-N187 VanDerWaalsContact CE1-O 3.24Å; H180-N187 PolarHBondContact NE2-O 2.87Å; C185-N187 PolarHBondContact O-N 3.42Å; N187-S189 PolarHBondContact O-N 3.44Å; N187-G230 WeakPolarHBondContact ND2-CA 3.28Å; N187-G230 PolarHBondContact ND2-N 3.27Å
188	T	66.6	Low	69	Low	104 Å²	104	63.4 Å²	63.4	64%	0.638	35%	0.354	S	S	*	.	S	Bend	trans	-77	0.4	-179	55.3	0	0	0	0	113.9
189	S	68	Low	67.1	Low	11 Å²	11	65.8 Å²	65.8	8%	0.077	37%	0.369	C	S	.	.			trans	-152.3	138.6	-166.2	-82.4	0	0	0	0	114.1	N118 R137 N187	N118-S189 PolarHBondContact OD1-OG 2.91Å; R137-S189 PolarHBondContact NH1-OG 2.97Å; R137-S189 VanDerWaalsContact NH2-CB 3.3Å; R137-S189 PolarHBondContact NH2-OG 3.36Å; N187-S189 PolarHBondContact O-N 3.44Å
190	L	72.6	Confident	65	Low	7 Å²	7	64.8 Å²	64.8	4%	0.037	37%	0.373	C	S	.	.			trans	-85.8	123	168.2	-101.9	146.1	0	0	0	111	F120 R137 A176 E177 H180 L226	F120-L190 HydrophobicContact CE2-CB 4.31Å; F120-L190 HydrophobicContact CZ-CB 4.46Å; R137-L190 PolarHBondContact NH2-O 3.19Å; A176-L190 VanDerWaalsContact C-CD1 3.44Å; A176-L190 HydrophobicContact CB-CD1 4.11Å; A176-L190 VanDerWaalsContact O-CD1 3.28Å; A176-L190 WeakPolarHBondContact O-CD1 3.49Å; E177-L190 HydrophobicContact CB-CD1 4.41Å; H180-L190 HydrophobicContact CB-CD1 3.24Å; H180-L190 HydrophobicContact CB-CG 3.84Å; L190-L226 HydrophobicContact CD2-CB 3.86Å
191	H	68.9	Low	62.9	Low	38 Å²	38	67.6 Å²	67.6	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	150.9	175.6	-63.8	-76.7	0	0	0	110.2	W107 W193 L226 L227 V229	W107-H191 AromaticContact CH2-CE1 3.75Å; H191-W193 HydrophobicContact CB-CZ2 4.38Å; H191-L226 CarbonylContact O-C 3.5Å; H191-L226 WeakPolarHBondContact O-CA 3.16Å; H191-L227 PolarHBondContact N-O 3.18Å; H191-L227 PolarHBondContact O-N 3Å; H191-V229 HydrophobicContact CB-CG2 4.25Å
192	A	70.6	Confident	60.8	Low	13 Å²	13	67.5 Å²	67.5	11%	0.107	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.8	176.6	0	0	0	0	0	109.6	P134 L135 V224 Q225 L226	P134-A192 HydrophobicContact CB-CB 3.58Å; P134-A192 HydrophobicContact CG-CB 4.24Å; P134-A192 WeakPolarHBondContact O-CB 3.45Å; L135-A192 HydrophobicContact CD2-CB 3.93Å; L135-A192 WeakPolarHBondContact CD2-O 3.37Å; A192-V224 HydrophobicContact CB-CG1 4.22Å; A192-Q225 CarbonylContact C-O 3.57Å; A192-Q225 WeakPolarHBondContact CA-O 3.16Å; A192-L226 HydrophobicContact CB-CD2 3.43Å; A192-L226 VanDerWaalsContact CB-CD2 3.43Å
193	W	69.2	Low	58.6	Low	93 Å²	93	70.4 Å²	70.4	35%	0.352	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140	-175.8	-53.3	83.7	0	0	0	108.7	E97 H191 V224 Q225 V229	E97-W193 HydrophobicContact CG-CZ3 4.14Å; H191-W193 HydrophobicContact CB-CZ2 4.38Å; W193-V224 CarbonylContact O-C 3.51Å; W193-V224 WeakPolarHBondContact O-CA 3.16Å; W193-Q225 PolarHBondContact N-O 3.42Å; W193-Q225 PolarHBondContact O-N 3.23Å; W193-V229 HydrophobicContact CZ2-CG2 4.23Å
194	L	69	Low	56.7	Low	67 Å²	67	72.5 Å²	72.5	35%	0.351	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.3	172.8	-168.2	71.4	0	0	0	107.9	L135 L155 L157 E222 I223 V224	L135-L194 HydrophobicContact CD1-CB 4.19Å; L135-L194 HydrophobicContact CD2-CB 4.43Å; L155-L194 HydrophobicContact CD1-CD1 3.98Å; L157-L194 HydrophobicContact CD2-CD1 3.52Å; L157-L194 HydrophobicContact CG-CD1 4.36Å; L194-E222 HydrophobicContact CD1-CB 4.03Å; L194-E222 HydrophobicContact CG-CB 4.41Å; L194-I223 CarbonylContact C-O 3.54Å; L194-V224 HydrophobicContact CD1-CG2 3.71Å
195	I	64.8	Low	54.9	Low	67 Å²	67	79.4 Å²	79.4	34%	0.344	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.5	175.4	-57.2	-172.5	0	0	0	107.7	Q197 E222 I223 Q225	I195-Q197 PolarHBondContact O-N 2.88Å; I195-E222 WeakPolarHBondContact O-CA 3.41Å; I195-I223 PolarHBondContact N-O 2.82Å; I195-I223 PolarHBondContact O-N 3.5Å; I195-Q225 HydrophobicContact CD1-CB 4.11Å; I195-Q225 HydrophobicContact CD1-CG 3.73Å; I195-Q225 HydrophobicContact CG1-CG 4.38Å
196	D	62.8	Low	53	Low	73 Å²	73	84.1 Å²	84.1	39%	0.39	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	107.6	169.3	-175.8	-0.8	0	0	0	109	N198 S220	D196-N198 VanDerWaalsContact CG-ND2 3.3Å; D196-N198 PolarHBondContact O-N 3.42Å; D196-N198 VanDerWaalsContact O-N 3.08Å; D196-N198 PolarHBondContact OD1-N 2.81Å; D196-N198 PolarHBondContact OD2-ND2 2.8Å; D196-S220 WeakPolarHBondContact OD1-CB 3.36Å
197	Q	50.5	Low	51.6	Low	81 Å²	81	88.1 Å²	88.1	38%	0.379	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	84.5	162.8	-59.2	-162.9	-11.4	0	0	108.4	I195 T199 T221 I223	I195-Q197 PolarHBondContact O-N 2.88Å; Q197-T199 VanDerWaalsContact C-N 3.29Å; Q197-T199 PolarHBondContact O-N 3.44Å; Q197-T221 WeakPolarHBondContact CA-O 3.45Å; Q197-T221 WeakPolarHBondContact CB-O 3.42Å; Q197-T221 PolarHBondContact N-O 3.16Å; Q197-T221 PolarHBondContact O-N 3.31Å; Q197-I223 HydrophobicContact CG-CD1 3.94Å; Q197-I223 HydrophobicContact CG-CG1 4.2Å
198	N	47.7	Very low	49.9	Very low	96 Å²	96	93 Å²	93	51%	0.513	50%	0.503	S	S	.	.			trans	-69.3	93.9	158.8	-79.3	-50.9	0	0	0	107.8	D196 V200	D196-N198 VanDerWaalsContact CG-ND2 3.3Å; D196-N198 PolarHBondContact O-N 3.42Å; D196-N198 VanDerWaalsContact O-N 3.08Å; D196-N198 PolarHBondContact OD1-N 2.81Å; D196-N198 PolarHBondContact OD2-ND2 2.8Å; N198-V200 HydrophobicContact CB-CG2 4.25Å; N198-V200 PolarHBondContact O-N 3.26Å
199	T	39.1	Very low	48.3	Very low	100 Å²	100	94.5 Å²	94.5	61%	0.613	51%	0.507	S	S	*	.			trans	-68.8	81	157.5	57.7	0	0	0	0	106.8	Q197 S201	Q197-T199 VanDerWaalsContact C-N 3.29Å; Q197-T199 PolarHBondContact O-N 3.44Å; T199-S201 VanDerWaalsContact C-N 3.27Å; T199-S201 PolarHBondContact O-N 3.46Å
200	V	35	Very low	46.6	Very low	100 Å²	100	101.1 Å²	101.1	61%	0.606	54%	0.542	S	S	*	.			trans	-63.2	101.4	163.7	-178.2	0	0	0	0	105.1	N198 C202	N198-V200 HydrophobicContact CB-CG2 4.25Å; N198-V200 PolarHBondContact O-N 3.26Å; V200-C202 VanDerWaalsContact C-N 3.34Å; V200-C202 PolarHBondContact O-N 2.85Å
201	S	31.5	Very low	44.9	Very low	68 Å²	68	105.8 Å²	105.8	48%	0.476	58%	0.575	S	S	.	*			trans	-58.3	104.6	160.1	27.7	0	0	0	0	106.2	T199 Q203	T199-S201 VanDerWaalsContact C-N 3.27Å; T199-S201 PolarHBondContact O-N 3.46Å; S201-Q203 PolarHBondContact O-N 3.18Å
202	C	32	Very low	43.3	Very low	113 Å²	113	111.7 Å²	111.7	76%	0.764	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	56.6	170.2	-72	0	0	0	0	111.2	V200	V200-C202 VanDerWaalsContact C-N 3.34Å; V200-C202 PolarHBondContact O-N 2.85Å
203	Q	33.7	Very low	41.7	Very low	171 Å²	171	117.6 Å²	117.6	80%	0.799	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	4.2	179.6	-71.5	-169	-5.9	0	0	113.6	S201	S201-Q203 PolarHBondContact O-N 3.18Å
204	S	34.6	Very low	40	Very low	95 Å²	95	120.2 Å²	120.2	66%	0.664	66%	0.663	S	S	*	*	S	Bend	trans	-104.6	5	-178.8	48.5	0	0	0	0	115.7
205	F	32.3	Very low	38.3	Very low	202 Å²	202	124.1 Å²	124.1	89%	0.886	69%	0.685	S	S	*	*	S	Bend	trans	-112.2	43.1	-179.9	-86.9	-82.5	0	0	0	114
206	T	31.1	Very low	37	Very low	115 Å²	115	128.5 Å²	128.5	71%	0.706	71%	0.705	S	S	*	*	S	Bend	trans	-149.4	131.5	161.5	49.1	0	0	0	0	110.3
207	Q	35.8	Very low	35.7	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	73%	0.727	S	S	*	*			trans	89.3	93.9	174.8	-53.2	178.1	-4.9	0	0	113.8
208	N	31.4	Very low	35.4	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	74%	0.741	S	S	*	*				39.4	124.7	90.2	-92.6	2.3	0	0	0	114.6
209	D	33	Very low	35.3	Very low	136 Å²	136	137.3 Å²	137.3	73%	0.727	74%	0.743	S	S	*	*			trans	80.2	103.9	158.6	-59.6	-38.1	0	0	0	118.8
210	N	33.6	Very low	35.9	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	73%	0.73	S	S	*	*			trans	42.8	92.5	136.7	-66.5	-29.3	0	0	0	117.2
211	S	36.9	Very low	36.8	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	71%	0.712	S	S	*	*				166.7	134.2	127	45.1	0	0	0	0	112
212	N	34.8	Very low	38.2	Very low	162 Å²	162	131.2 Å²	131.2	87%	0.866	70%	0.701	S	S	*	*			trans	32.6	95.7	154	-73.7	-13.6	0	0	0	118.3
213	V	36.7	Very low	39.8	Very low	137 Å²	137	126.1 Å²	126.1	83%	0.83	67%	0.667	S	S	*	*			trans	-111.7	89.1	160.6	-170.5	0	0	0	0	108.1
214	N	33.4	Very low	41.1	Very low	147 Å²	147	118.3 Å²	118.3	79%	0.786	63%	0.63	S	S	*	*			trans	-86.4	139.1	159	-88.5	-13.7	0	0	0	108
215	D	33.2	Very low	42.4	Very low	150 Å²	150	116.8 Å²	116.8	80%	0.802	61%	0.613	S	S	*	*			trans	50.3	84.7	158.8	-80.6	-26.7	0	0	0	117.6
216	M	37.1	Very low	43.9	Very low	159 Å²	159	107.3 Å²	107.3	78%	0.783	57%	0.571	S	S	*	*			trans	-114.7	96.3	141.1	-81.1	-155.7	85.9	0	0	108.7	H218	M216-H218 PolarHBondContact O-N 2.73Å
217	L	36.6	Very low	45.3	Very low	162 Å²	162	104.7 Å²	104.7	85%	0.848	55%	0.553	S	S	*	*			trans	-62.6	101.4	168.3	-152.5	87.5	0	0	0	107.5	K219	L217-K219 PolarHBondContact O-N 3.35Å
218	H	44.6	Very low	46.5	Very low	143 Å²	143	96.1 Å²	96.1	66%	0.662	51%	0.514	S	S	*	.			trans	-63	114.3	172.9	-75.9	-79.1	0	0	0	108.7	M216 S220	M216-H218 PolarHBondContact O-N 2.73Å; H218-S220 PolarHBondContact O-N 3Å
219	K	45.3	Very low	47.7	Very low	129 Å²	129	92.6 Å²	92.6	56%	0.561	50%	0.497	S	S	*	.			trans	-88.3	92.4	172.2	-156.2	178.5	-175.4	-167.4	0	107.2	D158 L217	D158-K219 WeakPolarHBondContact OD2-CE 3.34Å; D158-K219 IonicContact OD2-NZ 2.9Å; D158-K219 PolarHBondContact OD2-NZ 3.5Å; L217-K219 PolarHBondContact O-N 3.35Å
220	S	51.3	Low	48.4	Very low	49 Å²	49	87.7 Å²	87.7	34%	0.343	48%	0.479	S	S	.	.			trans	-60.9	136.3	168.2	40.1	0	0	0	0	108.7	D196 H218	D196-S220 WeakPolarHBondContact OD1-CB 3.36Å; H218-S220 PolarHBondContact O-N 3Å
221	T	54.9	Low	49.4	Very low	36 Å²	36	82 Å²	82	22%	0.221	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	102.4	171.9	-48.8	0	0	0	0	106.5	Q160 Q197	Q160-T221 PolarHBondContact NE2-OG1 3.01Å; Q197-T221 WeakPolarHBondContact CA-O 3.45Å; Q197-T221 WeakPolarHBondContact CB-O 3.42Å; Q197-T221 PolarHBondContact N-O 3.16Å; Q197-T221 PolarHBondContact O-N 3.31Å
222	E	60.6	Low	50.3	Low	55 Å²	55	85.2 Å²	85.2	26%	0.257	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.5	178.4	-68.2	178.7	175.7	0	0	109.5	L157 L194 I195	L157-E222 HydrophobicContact CD2-CB 3.16Å; L157-E222 HydrophobicContact CD2-CG 4.35Å; L157-E222 WeakPolarHBondContact CD2-O 3.49Å; L194-E222 HydrophobicContact CD1-CB 4.03Å; L194-E222 HydrophobicContact CG-CB 4.41Å; I195-E222 WeakPolarHBondContact O-CA 3.41Å
223	I	64.1	Low	51.2	Low	7 Å²	7	84.8 Å²	84.8	4%	0.036	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.6	177.7	-59.7	-171.3	0	0	0	109.3	L194 I195 Q197 Q225 E238	L194-I223 CarbonylContact C-O 3.54Å; I195-I223 PolarHBondContact N-O 2.82Å; I195-I223 PolarHBondContact O-N 3.5Å; Q197-I223 HydrophobicContact CG-CD1 3.94Å; Q197-I223 HydrophobicContact CG-CG1 4.2Å; I223-Q225 HydrophobicContact CG2-CG 4.3Å; I223-E238 HydrophobicContact CG2-CG 4.2Å
224	V	61.8	Low	52.3	Low	6 Å²	6	78.9 Å²	78.9	4%	0.036	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.5	171.1	170.6	0	0	0	0	110.5	P134 L155 L157 A192 W193 L194 L226 V239	P134-V224 HydrophobicContact CG-CG1 4.05Å; L155-V224 HydrophobicContact CD1-CG2 3.86Å; L157-V224 HydrophobicContact CD1-CB 4.47Å; L157-V224 HydrophobicContact CD1-CG2 3.66Å; A192-V224 HydrophobicContact CB-CG1 4.22Å; W193-V224 CarbonylContact O-C 3.51Å; W193-V224 WeakPolarHBondContact O-CA 3.16Å; L194-V224 HydrophobicContact CD1-CG2 3.71Å; V224-L226 HydrophobicContact CG1-CD2 4.48Å; V224-V239 PolarHBondContact O-N 2.94Å
225	Q	63.1	Low	53.1	Low	64 Å²	64	76.7 Å²	76.7	30%	0.299	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.5	174	-69.4	-164.4	-9.1	0	0	111.2	A192 W193 I195 I223 E238	A192-Q225 CarbonylContact C-O 3.57Å; A192-Q225 WeakPolarHBondContact CA-O 3.16Å; W193-Q225 PolarHBondContact N-O 3.42Å; W193-Q225 PolarHBondContact O-N 3.23Å; I195-Q225 HydrophobicContact CD1-CB 4.11Å; I195-Q225 HydrophobicContact CD1-CG 3.73Å; I195-Q225 HydrophobicContact CG1-CG 4.38Å; I223-Q225 HydrophobicContact CG2-CG 4.3Å; Q225-E238 HydrophobicContact CG-CG 4.32Å
226	L	62.5	Low	54.1	Low	2 Å²	2	77.1 Å²	77.1	1%	0.01	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.8	174.5	-54.7	173.7	0	0	0	110.6	P134 L173 A176 L190 H191 A192 V224 M237 V239	P134-L226 HydrophobicContact CB-CD2 3.86Å; L173-L226 HydrophobicContact CD2-CD1 3.58Å; L173-L226 HydrophobicContact CD2-CD2 4.17Å; L173-L226 HydrophobicContact CD2-CG 4.42Å; A176-L226 HydrophobicContact CB-CD1 3.71Å; L190-L226 HydrophobicContact CD2-CB 3.86Å; H191-L226 CarbonylContact O-C 3.5Å; H191-L226 WeakPolarHBondContact O-CA 3.16Å; A192-L226 HydrophobicContact CB-CD2 3.43Å; A192-L226 VanDerWaalsContact CB-CD2 3.43Å; V224-L226 HydrophobicContact CG1-CD2 4.48Å; L226-M237 PolarHBondContact N-O 3.28Å; L226-M237 VanDerWaalsContact N-O 3.09Å; L226-V239 HydrophobicContact CD1-CG2 3.81Å; L226-V239 HydrophobicContact CG-CG2 4.15Å
227	L	59.8	Low	54.6	Low	61 Å²	61	71 Å²	71	32%	0.319	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129	-174.3	-171.6	69.9	0	0	0	112.1	H191 V229 F236	H191-L227 PolarHBondContact N-O 3.18Å; H191-L227 PolarHBondContact O-N 3Å; L227-V229 HydrophobicContact CD2-CG2 4.23Å; L227-V229 PolarHBondContact O-N 2.9Å; L227-F236 HydrophobicContact CD1-CD1 3.72Å; L227-F236 HydrophobicContact CD1-CE1 3.42Å; L227-F236 VanDerWaalsContact CD1-CE1 3.42Å; L227-F236 HydrophobicContact CD1-CZ 4.42Å
228	C	62	Low	55.3	Low	9 Å²	9	67.9 Å²	67.9	6%	0.061	36%	0.359	C	S	.	.			trans	-79.9	108.9	159.2	-169.5	0	0	0	0	107.6	H180 C185 G230 C234	H180-C228 PolarHBondContact CE1-SG 3.17Å; H180-C228 WeakPolarHBondContact ND1-CB 3.49Å; H180-C228 PolarHBondContact ND1-SG 2.87Å; C185-C228 VanDerWaalsContact CB-SG 3.58Å; C185-C228 VanDerWaalsContact SG-CB 3.51Å; C185-C228 CovalentContact SG-SG 2.15Å; C185-C228 PolarHBondContact SG-SG 2.92Å; C228-G230 PolarHBondContact O-N 3.44Å; C228-C234 HydrophobicContact CB-CB 3.46Å; C228-C234 VanDerWaalsContact CB-CB 3.46Å
229	V	55.5	Low	55.7	Low	75 Å²	75	61.7 Å²	61.7	46%	0.455	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.4	178.6	-177.2	0	0	0	0	112.4	H191 W193 L227	H191-V229 HydrophobicContact CB-CG2 4.25Å; W193-V229 HydrophobicContact CZ2-CG2 4.23Å; L227-V229 HydrophobicContact CD2-CG2 4.23Å; L227-V229 PolarHBondContact O-N 2.9Å
230	G	47.7	Very low	55.8	Low	32 Å²	32	59.8 Å²	59.8	33%	0.33	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	11.5	-174.3	0	0	0	0	0	116.6	N187 C228	N187-G230 WeakPolarHBondContact ND2-CA 3.28Å; N187-G230 PolarHBondContact ND2-N 3.27Å; C228-G230 PolarHBondContact O-N 3.44Å
231	C	55.6	Low	55.4	Low	32 Å²	32	58 Å²	58	22%	0.216	32%	0.317	C	S	.	.			trans	-157.7	130.3	170.6	-167.8	0	0	0	0	113.2	C185 Q233 C234	C185-C231 HydrophobicContact CB-CB 4.26Å; C185-C231 WeakPolarHBondContact SG-CB 3.39Å; C231-Q233 PolarHBondContact O-N 3.21Å; C231-Q233 WeakPolarHBondContact SG-CB 3.32Å; C231-Q233 PolarHBondContact SG-N 3.23Å; C231-C234 PolarHBondContact O-N 2.9Å
232	D	55.6	Low	55.5	Low	172 Å²	172	59.2 Å²	59.2	92%	0.92	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.7	173.4	-55.3	-21.7	0	0	0	113.2
233	Q	54.4	Low	55.2	Low	154 Å²	154	59.4 Å²	59.4	72%	0.72	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.4	-178.1	-58.9	-81.4	-28.8	0	0	113.1	C231 S235	C231-Q233 PolarHBondContact O-N 3.21Å; C231-Q233 WeakPolarHBondContact SG-CB 3.32Å; C231-Q233 PolarHBondContact SG-N 3.23Å; Q233-S235 PolarHBondContact O-N 2.9Å
234	C	59.9	Low	54.7	Low	13 Å²	13	62.3 Å²	62.3	9%	0.088	34%	0.342	C	S	.	.	S	Bend	trans	-83.3	115.9	179.9	-69.7	0	0	0	0	109.8	S183 C185 C228 C231 F236	S183-C234 PolarHBondContact OG-SG 2.93Å; C185-C234 WeakPolarHBondContact CB-SG 3.27Å; C185-C234 PolarHBondContact SG-SG 2.91Å; C228-C234 HydrophobicContact CB-CB 3.46Å; C228-C234 VanDerWaalsContact CB-CB 3.46Å; C231-C234 PolarHBondContact O-N 2.9Å; C234-F236 PolarHBondContact O-N 2.92Å
235	S	49.4	Very low	54.3	Low	100 Å²	100	65.6 Å²	65.6	70%	0.699	36%	0.359	S	S	*	.			trans	-61.5	132	-177.3	-46.2	0	0	0	0	111.2	Q233 M237	Q233-S235 PolarHBondContact O-N 2.9Å; S235-M237 PolarHBondContact O-N 3.45Å
236	F	53.3	Low	53.7	Low	159 Å²	159	65.7 Å²	65.7	70%	0.697	36%	0.363	S	S	*	.			trans	-53.3	125.4	167.2	-56.7	-87.9	0	0	0	109.2	L227 C234	L227-F236 HydrophobicContact CD1-CD1 3.72Å; L227-F236 HydrophobicContact CD1-CE1 3.42Å; L227-F236 VanDerWaalsContact CD1-CE1 3.42Å; L227-F236 HydrophobicContact CD1-CZ 4.42Å; C234-F236 PolarHBondContact O-N 2.92Å
237	M	49	Very low	53.1	Low	30 Å²	30	69.9 Å²	69.9	15%	0.148	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105	161.3	-164.4	171.7	-53.8	0	0	107.3	S172 D175 A176 K179 L226 S235 V239	S172-M237 VanDerWaalsContact O-SD 3.34Å; S172-M237 PolarHBondContact OG-SD 2.88Å; D175-M237 HydrophobicContact CB-CE 4.38Å; A176-M237 HydrophobicContact CB-CB 4.26Å; A176-M237 HydrophobicContact CB-CE 3.43Å; A176-M237 VanDerWaalsContact CB-CE 3.43Å; A176-M237 HydrophobicContact CB-SD 3.65Å; A176-M237 VanDerWaalsContact N-CE 3.34Å; K179-M237 HydrophobicContact CD-CE 4.12Å; L226-M237 PolarHBondContact N-O 3.28Å; L226-M237 VanDerWaalsContact N-O 3.09Å; S235-M237 PolarHBondContact O-N 3.45Å; M237-V239 HydrophobicContact CG-CG2 4.4Å; M237-V239 PolarHBondContact O-N 2.95Å
238	E	51.8	Low	52.7	Low	98 Å²	98	70.6 Å²	70.6	46%	0.458	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	110.2	163.3	-171	173.7	-154	0	0	106.5	I223 Q225 V240	I223-E238 HydrophobicContact CG2-CG 4.2Å; Q225-E238 HydrophobicContact CG-CG 4.32Å; E238-V240 VanDerWaalsContact C-N 3.31Å; E238-V240 HydrophobicContact CG-CG2 3.62Å; E238-V240 PolarHBondContact O-N 3.23Å
239	V	52	Low	52	Low	13 Å²	13	75.3 Å²	75.3	8%	0.079	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	90.7	162.8	-165.4	0	0	0	0	104.3	V224 L226 M237 V241	V224-V239 PolarHBondContact O-N 2.94Å; L226-V239 HydrophobicContact CD1-CG2 3.81Å; L226-V239 HydrophobicContact CG-CG2 4.15Å; M237-V239 HydrophobicContact CG-CG2 4.4Å; M237-V239 PolarHBondContact O-N 2.95Å; V239-V241 VanDerWaalsContact C-N 3.32Å; V239-V241 HydrophobicContact CB-CG2 4.09Å; V239-V241 HydrophobicContact CG1-CG2 3.4Å; V239-V241 PolarHBondContact O-N 3.35Å
240	V	46.6	Very low	51.7	Low	88 Å²	88	75.3 Å²	75.3	53%	0.533	41%	0.414	S	S	.	.			trans	-66.1	104.3	165	-173.3	0	0	0	0	105.2	E238	E238-V240 VanDerWaalsContact C-N 3.31Å; E238-V240 HydrophobicContact CG-CG2 3.62Å; E238-V240 PolarHBondContact O-N 3.23Å
241	V	44.6	Very low	52	Low	13 Å²	13	79.3 Å²	79.3	8%	0.079	42%	0.422	C	S	.	.			trans	-102.2	0	177.5	176.9	0	0	0	0	107	L148 L157 T159 L164 V239	L148-V241 HydrophobicContact CB-CG1 4.36Å; L148-V241 HydrophobicContact CD2-CG1 3.85Å; L157-V241 HydrophobicContact CB-CG1 4.45Å; L157-V241 HydrophobicContact CD1-CB 3.97Å; L157-V241 HydrophobicContact CD1-CG1 3.91Å; T159-V241 WeakPolarHBondContact CA-OXT 3.42Å; T159-V241 WeakPolarHBondContact CB-OXT 3.29Å; T159-V241 HydrophobicContact CG2-CG1 3.29Å; L164-V241 WeakPolarHBondContact CD1-OXT 3.46Å; V239-V241 VanDerWaalsContact C-N 3.32Å; V239-V241 HydrophobicContact CB-CG2 4.09Å; V239-V241 HydrophobicContact CG1-CG2 3.4Å; V239-V241 PolarHBondContact O-N 3.35Å

Retrieved 241 of 241 residues in 49.3 ms (Link to these results)

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