A0A077YZ66_TRITR Loading...

Protein KRI1 homolog

AlphaFold DB , UniProt , Accession A0A077YZ66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 604 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	45	Very low	55.3	Low	228 Å²	228	159.1 Å²	159.1	100%	1.123	82%	0.816	S	S	*	*				0	83.6	0	-70.6	-58.3	-151.6	0	0	106.2	K3	M1-K3 PolarHBondContact O-N 3.47Å
2	D	54.8	Low	55.2	Low	166 Å²	166	161.6 Å²	161.6	89%	0.888	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.2	117.6	-176.5	-63	-35.6	0	0	0	108.3
3	K	49	Very low	55.3	Low	188 Å²	188	156.6 Å²	156.6	82%	0.817	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.6	126.2	177.4	-73.8	176.5	177.6	175.8	0	107.7	M1 Q5	M1-K3 PolarHBondContact O-N 3.47Å; K3-Q5 PolarHBondContact O-N 2.77Å
4	P	60.2	Low	55.4	Low	126 Å²	126	152.2 Å²	152.2	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.7	118.5	-179.9	25.3	-32	0	0	0	109.4	L6	P4-L6 PolarHBondContact O-N 3.35Å
5	Q	57.4	Low	55.9	Low	163 Å²	163	150.1 Å²	150.1	76%	0.762	78%	0.784	S	S	*	*			trans	-77.2	108.8	173.2	-59.2	-160.5	7.8	0	0	107.7	K3	K3-Q5 PolarHBondContact O-N 2.77Å
6	L	62.6	Low	56.6	Low	146 Å²	146	152.1 Å²	152.1	76%	0.764	78%	0.784	S	S	*	*			trans	-86.3	-3	-170.8	-174.8	58.2	0	0	0	113.5	P4	P4-L6 PolarHBondContact O-N 3.35Å
7	F	63.9	Low	57.7	Low	181 Å²	181	153.1 Å²	153.1	79%	0.794	79%	0.79	S	S	*	*			trans	-138.5	76.2	-171	-62.7	-78.6	0	0	0	110.6
8	D	52.1	Low	59	Low	134 Å²	134	150 Å²	150	72%	0.717	79%	0.791	S	S	*	*			trans	-135	42.3	172.5	-100.7	-5.8	0	0	0	110.7
9	S	53.6	Low	60.2	Low	98 Å²	98	147.9 Å²	147.9	69%	0.685	78%	0.784	S	S	*	*			trans	-127	88.1	164.6	63.9	0	0	0	0	108.8	E11	S9-E11 PolarHBondContact O-N 2.96Å
10	D	55.5	Low	61.6	Low	163 Å²	163	145.7 Å²	145.7	87%	0.872	77%	0.773	S	S	*	*			trans	-66.1	40.3	164.5	-73.2	-30.4	0	0	0	111.4	E12	D10-E12 PolarHBondContact O-N 3.48Å
11	E	54.5	Low	62.9	Low	157 Å²	157	144.9 Å²	144.9	73%	0.734	77%	0.769	S	S	*	*			trans	-80.3	103.4	167.5	-147.2	164.5	-154.6	0	0	105.2	S9 V13	S9-E11 PolarHBondContact O-N 2.96Å; E11-V13 VanDerWaalsContact O-CG2 3.23Å; E11-V13 WeakPolarHBondContact O-CG2 3.29Å; E11-V13 PolarHBondContact O-N 3.2Å
12	E	53.5	Low	65.1	Low	189 Å²	189	137.7 Å²	137.7	88%	0.883	75%	0.746	S	S	*	*			trans	-57.1	69.3	172.7	-67.4	-97.9	156.5	0	0	109.7	D10 S14	D10-E12 PolarHBondContact O-N 3.48Å; E12-S14 PolarHBondContact O-N 3.09Å
13	V	57.3	Low	66.8	Low	97 Å²	97	137.5 Å²	137.5	59%	0.588	73%	0.734	S	S	*	*			trans	-70.3	95.2	168.4	-143.3	0	0	0	0	104.3	E11 D15	E11-V13 VanDerWaalsContact O-CG2 3.23Å; E11-V13 WeakPolarHBondContact O-CG2 3.29Å; E11-V13 PolarHBondContact O-N 3.2Å; V13-D15 VanDerWaalsContact CG1-CG 3.47Å; V13-D15 WeakPolarHBondContact CG1-OD1 3.4Å; V13-D15 VanDerWaalsContact CG1-OD2 3.3Å; V13-D15 WeakPolarHBondContact CG1-OD2 3.3Å; V13-D15 PolarHBondContact O-N 3.41Å
14	S	55.7	Low	68.7	Low	95 Å²	95	129.9 Å²	129.9	66%	0.664	71%	0.706	S	S	*	*			trans	-67.5	50.8	168.3	-164.6	0	0	0	0	109.6	E12 K16	E12-S14 PolarHBondContact O-N 3.09Å; S14-K16 PolarHBondContact O-N 2.84Å
15	D	63.3	Low	70.1	Confident	121 Å²	121	126.5 Å²	126.5	65%	0.647	69%	0.689	S	S	*	*			trans	-72.3	85.9	167.3	-73.8	-19.9	0	0	0	105.3	V13 L17	V13-D15 VanDerWaalsContact CG1-CG 3.47Å; V13-D15 WeakPolarHBondContact CG1-OD1 3.4Å; V13-D15 VanDerWaalsContact CG1-OD2 3.3Å; V13-D15 WeakPolarHBondContact CG1-OD2 3.3Å; V13-D15 PolarHBondContact O-N 3.41Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 3.25Å
16	K	67.9	Low	71.8	Confident	181 Å²	181	120.5 Å²	120.5	79%	0.787	67%	0.671	S	S	*	*			trans	-54.3	99	171.8	-66.8	174.8	-176.5	174.1	0	107.1	S14 A18	S14-K16 PolarHBondContact O-N 2.84Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.83Å
17	L	74.4	Confident	73.2	Confident	170 Å²	170	117.9 Å²	117.9	89%	0.89	65%	0.651	S	S	*	*			trans	-59.4	95.8	174.4	-70.8	171.2	0	0	0	108.1	D15	D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 3.25Å
18	A	82.2	Confident	74.4	Confident	97 Å²	97	114 Å²	114	80%	0.802	64%	0.639	S	S	*	*			trans	-86.6	120.9	175.7	0	0	0	0	0	108.7	K16	K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.83Å
19	V	81.4	Confident	76.1	Confident	110 Å²	110	110.9 Å²	110.9	67%	0.667	63%	0.625	S	S	*	*			trans	-81.4	131.4	174.1	-168.2	0	0	0	0	108.4	N21	V19-N21 PolarHBondContact O-N 3.34Å
20	N	87.5	Confident	77.9	Confident	104 Å²	104	113 Å²	113	56%	0.556	62%	0.618	S	S	*	*			trans	-71	97.9	172.7	-177	-21.4	0	0	0	109.7	A22 Y23 A24	N20-A22 PolarHBondContact O-N 2.97Å; N20-A22 WeakPolarHBondContact OD1-CB 3.38Å; N20-A22 PolarHBondContact OD1-N 2.86Å; N20-A22 VanDerWaalsContact OD1-N 3.08Å; N20-Y23 PolarHBondContact O-N 2.98Å; N20-Y23 PolarHBondContact OD1-N 2.82Å; N20-Y23 VanDerWaalsContact OD1-N 3.1Å; N20-A24 PolarHBondContact O-N 3.24Å
21	N	89.5	Confident	79.6	Confident	128 Å²	128	109.6 Å²	109.6	68%	0.684	59%	0.593	S	S	*	*	H	α-helix	trans	-60.1	-32.7	-178.1	-69.1	-24.9	0	0	0	113.3	V19 A24 A25	V19-N21 PolarHBondContact O-N 3.34Å; N21-A24 PolarHBondContact O-N 2.74Å; N21-A25 WeakPolarHBondContact O-CB 3.36Å; N21-A25 PolarHBondContact O-N 3.18Å
22	A	90.6	Very high	81.2	Confident	78 Å²	78	104.2 Å²	104.2	65%	0.645	57%	0.566	S	S	*	*	H	α-helix	trans	-69.3	-42.9	178.5	0	0	0	0	0	111.2	N20 A25 G26	N20-A22 PolarHBondContact O-N 2.97Å; N20-A22 WeakPolarHBondContact OD1-CB 3.38Å; N20-A22 PolarHBondContact OD1-N 2.86Å; N20-A22 VanDerWaalsContact OD1-N 3.08Å; A22-A25 PolarHBondContact O-N 3.38Å; A22-G26 PolarHBondContact O-N 2.9Å
23	Y	90.7	Very high	82.9	Confident	161 Å²	161	102.1 Å²	102.1	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-64.3	-43	173.3	-179.3	-96	0	0	0	111.5	N20 A25 G26 Y27	N20-Y23 PolarHBondContact O-N 2.98Å; N20-Y23 PolarHBondContact OD1-N 2.82Å; N20-Y23 VanDerWaalsContact OD1-N 3.1Å; Y23-A25 PolarHBondContact O-N 3.21Å; Y23-G26 PolarHBondContact O-N 2.66Å; Y23-Y27 WeakPolarHBondContact O-CB 3.37Å; Y23-Y27 PolarHBondContact O-N 3.37Å
24	A	89.7	Confident	84.6	Confident	29 Å²	29	100.7 Å²	100.7	24%	0.24	54%	0.54	C	S	.	.	H	α-helix	trans	-60.8	-43.3	178.4	0	0	0	0	0	112.1	N20 N21 Y27 N28	N20-A24 PolarHBondContact O-N 3.24Å; N21-A24 PolarHBondContact O-N 2.74Å; A24-Y27 PolarHBondContact O-N 2.89Å; A24-N28 WeakPolarHBondContact O-CB 3.45Å; A24-N28 PolarHBondContact O-N 3.46Å; A24-N28 PolarHBondContact O-ND2 2.76Å
25	A	89.9	Confident	86.2	Confident	55 Å²	55	100.6 Å²	100.6	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-47.6	174.6	0	0	0	0	0	111.6	N21 A22 Y23 Y27 N28 T29	N21-A25 WeakPolarHBondContact O-CB 3.36Å; N21-A25 PolarHBondContact O-N 3.18Å; A22-A25 PolarHBondContact O-N 3.38Å; Y23-A25 PolarHBondContact O-N 3.21Å; A25-Y27 PolarHBondContact O-N 2.97Å; A25-N28 PolarHBondContact O-N 3.19Å; A25-T29 WeakPolarHBondContact O-CG2 3.48Å; A25-T29 PolarHBondContact O-N 2.95Å
26	G	91	Very high	87.3	Confident	37 Å²	37	96.3 Å²	96.3	38%	0.381	51%	0.506	S	S	.	.	H	α-helix	trans	-57.9	-48.4	175.5	0	0	0	0	0	112.7	A22 Y23 N28 T29 W30	A22-G26 PolarHBondContact O-N 2.9Å; Y23-G26 PolarHBondContact O-N 2.66Å; G26-N28 PolarHBondContact O-N 3.36Å; G26-T29 PolarHBondContact O-N 3.35Å; G26-T29 PolarHBondContact O-OG1 3.23Å; G26-W30 PolarHBondContact O-N 3.39Å
27	Y	92.7	Very high	88.4	Confident	90 Å²	90	95.5 Å²	95.5	35%	0.353	50%	0.498	S	S	.	.	H	α-helix	trans	-60.4	-44	177.6	177.7	-99.7	0	0	0	112.3	Y23 A24 A25 T29 W30 R31	Y23-Y27 WeakPolarHBondContact O-CB 3.37Å; Y23-Y27 PolarHBondContact O-N 3.37Å; A24-Y27 PolarHBondContact O-N 2.89Å; A25-Y27 PolarHBondContact O-N 2.97Å; Y27-T29 PolarHBondContact O-N 3.23Å; Y27-W30 HydrophobicContact CD2-CE3 4.4Å; Y27-W30 HydrophobicContact CE2-CE3 4.42Å; Y27-W30 HydrophobicContact CE2-CZ3 4.39Å; Y27-W30 PolarHBondContact O-N 2.83Å; Y27-R31 HydrophobicContact CD1-CG 4.07Å; Y27-R31 HydrophobicContact CD2-CG 4.36Å; Y27-R31 HydrophobicContact CE1-CG 3.68Å; Y27-R31 HydrophobicContact CE2-CG 3.98Å; Y27-R31 HydrophobicContact CG-CG 4.42Å; Y27-R31 WeakPolarHBondContact O-CB 3.12Å; Y27-R31 WeakPolarHBondContact O-CG 3.38Å; Y27-R31 PolarHBondContact O-N 3.19Å; Y27-R31 PolarHBondContact OH-NE 2.94Å; Y27-R31 PolarHBondContact OH-NH2 3.03Å
28	N	89.1	Confident	89.1	Confident	101 Å²	101	93.8 Å²	93.8	54%	0.54	48%	0.484	S	S	.	.	H	α-helix	trans	-62.7	-41.5	177.6	-73.1	-23.7	0	0	0	112	A24 A25 G26 R32	A24-N28 WeakPolarHBondContact O-CB 3.45Å; A24-N28 PolarHBondContact O-N 3.46Å; A24-N28 PolarHBondContact O-ND2 2.76Å; A25-N28 PolarHBondContact O-N 3.19Å; G26-N28 PolarHBondContact O-N 3.36Å; N28-R32 WeakPolarHBondContact O-CB 3.18Å; N28-R32 PolarHBondContact O-N 3.01Å
29	T	88.8	Confident	89.2	Confident	68 Å²	68	89.7 Å²	89.7	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-66.2	-38.4	175.8	64.7	0	0	0	0	112.3	A25 G26 Y27 K33	A25-T29 WeakPolarHBondContact O-CG2 3.48Å; A25-T29 PolarHBondContact O-N 2.95Å; G26-T29 PolarHBondContact O-N 3.35Å; G26-T29 PolarHBondContact O-OG1 3.23Å; Y27-T29 PolarHBondContact O-N 3.23Å; T29-K33 WeakPolarHBondContact O-CG 3.09Å; T29-K33 PolarHBondContact O-N 2.94Å; T29-K33 VanDerWaalsContact O-N 3.11Å
30	W	89.7	Confident	89.4	Confident	141 Å²	141	88.1 Å²	88.1	53%	0.534	43%	0.433	S	S	.	.	H	α-helix	trans	-66.6	-48.1	176.6	178.1	79	0	0	0	111.4	G26 Y27 R32 K33 E34	G26-W30 PolarHBondContact O-N 3.39Å; Y27-W30 HydrophobicContact CD2-CE3 4.4Å; Y27-W30 HydrophobicContact CE2-CE3 4.42Å; Y27-W30 HydrophobicContact CE2-CZ3 4.39Å; Y27-W30 PolarHBondContact O-N 2.83Å; W30-R32 VanDerWaalsContact C-N 3.34Å; W30-R32 PolarHBondContact O-N 3.38Å; W30-K33 PolarHBondContact O-N 3.06Å; W30-E34 WeakPolarHBondContact O-CB 3.38Å; W30-E34 PolarHBondContact O-N 3.14Å
31	R	91.9	Very high	89.3	Confident	93 Å²	93	88.6 Å²	88.6	35%	0.351	44%	0.435	S	S	.	.	H	α-helix	trans	-57.8	-44.4	174.7	-77.3	-59.7	-163.4	-179.5	5.8	112.5	Y27 K33 E34 E35	Y27-R31 HydrophobicContact CD1-CG 4.07Å; Y27-R31 HydrophobicContact CD2-CG 4.36Å; Y27-R31 HydrophobicContact CE1-CG 3.68Å; Y27-R31 HydrophobicContact CE2-CG 3.98Å; Y27-R31 HydrophobicContact CG-CG 4.42Å; Y27-R31 WeakPolarHBondContact O-CB 3.12Å; Y27-R31 WeakPolarHBondContact O-CG 3.38Å; Y27-R31 PolarHBondContact O-N 3.19Å; Y27-R31 PolarHBondContact OH-NE 2.94Å; Y27-R31 PolarHBondContact OH-NH2 3.03Å; R31-K33 VanDerWaalsContact C-N 3.33Å; R31-K33 PolarHBondContact O-N 3.44Å; R31-E34 WeakPolarHBondContact CD-OE2 3.46Å; R31-E34 IonicContact CZ-OE2 2.97Å; R31-E34 IonicContact NE-OE2 2.67Å; R31-E34 IonicContact NH1-OE1 3.02Å; R31-E34 IonicContact NH1-OE2 2.84Å; R31-E34 PolarHBondContact NH1-OE2 3.22Å; R31-E34 WeakPolarHBondContact O-CB 3.06Å; R31-E34 PolarHBondContact O-N 2.98Å; R31-E35 WeakPolarHBondContact O-CB 3.23Å; R31-E35 WeakPolarHBondContact O-CG 3.32Å; R31-E35 PolarHBondContact O-N 3.04Å
32	R	87.6	Confident	89	Confident	44 Å²	44	87.5 Å²	87.5	17%	0.166	42%	0.424	C	S	.	.	H	α-helix	trans	-56.9	-45.7	175.7	-177.2	-174.9	-179.2	65.3	14.4	112	N28 W30 L36 L334 K337 E341	N28-R32 WeakPolarHBondContact O-CB 3.18Å; N28-R32 PolarHBondContact O-N 3.01Å; W30-R32 VanDerWaalsContact C-N 3.34Å; W30-R32 PolarHBondContact O-N 3.38Å; R32-L36 VanDerWaalsContact O-CB 3.27Å; R32-L36 WeakPolarHBondContact O-CB 3.4Å; R32-L36 PolarHBondContact O-N 3.16Å; R32-L334 HydrophobicContact CG-CD2 3.99Å; R32-L334 PolarHBondContact NH2-O 2.87Å; R32-K337 VanDerWaalsContact CZ-CD 3.47Å; R32-K337 VanDerWaalsContact NH2-CD 3.31Å; R32-E341 IonicContact NE-OE1 2.76Å
33	K	89.3	Confident	88.3	Confident	144 Å²	144	85.5 Å²	85.5	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-68.9	-37.7	178	-72.3	174.8	-178.5	176.8	0	112	T29 W30 R31 R37	T29-K33 WeakPolarHBondContact O-CG 3.09Å; T29-K33 PolarHBondContact O-N 2.94Å; T29-K33 VanDerWaalsContact O-N 3.11Å; W30-K33 PolarHBondContact O-N 3.06Å; R31-K33 VanDerWaalsContact C-N 3.33Å; R31-K33 PolarHBondContact O-N 3.44Å; K33-R37 WeakPolarHBondContact O-CB 3.29Å; K33-R37 PolarHBondContact O-N 3.37Å
34	E	93.5	Very high	87.4	Confident	67 Å²	67	78.9 Å²	78.9	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-48.9	175.1	-174.8	-173.7	-157.4	0	0	111.4	W30 R31 R37 K38	W30-E34 WeakPolarHBondContact O-CB 3.38Å; W30-E34 PolarHBondContact O-N 3.14Å; R31-E34 WeakPolarHBondContact CD-OE2 3.46Å; R31-E34 IonicContact CZ-OE2 2.97Å; R31-E34 IonicContact NE-OE2 2.67Å; R31-E34 IonicContact NH1-OE1 3.02Å; R31-E34 IonicContact NH1-OE2 2.84Å; R31-E34 PolarHBondContact NH1-OE2 3.22Å; R31-E34 WeakPolarHBondContact O-CB 3.06Å; R31-E34 PolarHBondContact O-N 2.98Å; E34-R37 PolarHBondContact O-N 2.94Å; E34-K38 WeakPolarHBondContact O-CB 3.34Å; E34-K38 PolarHBondContact O-N 2.95Å
35	E	89.3	Confident	86.2	Confident	94 Å²	94	81.3 Å²	81.3	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.1	-73.5	-179.1	171.1	0	0	111.9	R31 R37 K38 L39 L334	R31-E35 WeakPolarHBondContact O-CB 3.23Å; R31-E35 WeakPolarHBondContact O-CG 3.32Å; R31-E35 PolarHBondContact O-N 3.04Å; E35-R37 PolarHBondContact O-N 3.24Å; E35-K38 PolarHBondContact O-N 3.36Å; E35-L39 WeakPolarHBondContact O-CB 3.35Å; E35-L39 WeakPolarHBondContact O-CG 3.39Å; E35-L39 PolarHBondContact O-N 3.38Å; E35-L334 HydrophobicContact CB-CD1 4.03Å
36	L	87.6	Confident	84.4	Confident	30 Å²	30	81.4 Å²	81.4	16%	0.157	39%	0.387	C	S	.	.	H	α-helix	trans	-59.6	-46.4	175.4	-178.5	73	0	0	0	111	R32 L39 K40 L331 L334 K335 E338	R32-L36 VanDerWaalsContact O-CB 3.27Å; R32-L36 WeakPolarHBondContact O-CB 3.4Å; R32-L36 PolarHBondContact O-N 3.16Å; L36-L39 PolarHBondContact O-N 3.31Å; L36-K40 WeakPolarHBondContact O-CB 2.96Å; L36-K40 PolarHBondContact O-N 3Å; L36-L331 HydrophobicContact CD1-CD1 3.72Å; L36-L334 HydrophobicContact CB-CD1 4.18Å; L36-L334 HydrophobicContact CD1-CB 3.71Å; L36-K335 HydrophobicContact CD1-CG 4.07Å; L36-E338 WeakPolarHBondContact CD2-OE2 3.28Å
37	R	89.4	Confident	82.5	Confident	164 Å²	164	81.7 Å²	81.7	62%	0.619	38%	0.377	S	S	*	.	H	α-helix	trans	-61.4	-48.3	177.2	-168	-174.2	74.6	-170.4	-0.5	110.8	K33 E34 E35 L39 K40 D41	K33-R37 WeakPolarHBondContact O-CB 3.29Å; K33-R37 PolarHBondContact O-N 3.37Å; E34-R37 PolarHBondContact O-N 2.94Å; E35-R37 PolarHBondContact O-N 3.24Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 2.92Å; R37-K40 CarbonylContact O-C 3.56Å; R37-K40 PolarHBondContact O-N 2.67Å; R37-K40 VanDerWaalsContact O-N 3.13Å; R37-D41 PolarHBondContact O-N 2.88Å
38	K	90.4	Very high	80.4	Confident	134 Å²	134	79 Å²	79	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-41.5	178.5	-176.7	178.4	-178.9	177.2	0	112.5	E34 E35 K42	E34-K38 WeakPolarHBondContact O-CB 3.34Å; E34-K38 PolarHBondContact O-N 2.95Å; E35-K38 PolarHBondContact O-N 3.36Å; K38-K42 VanDerWaalsContact O-CG 3.27Å; K38-K42 WeakPolarHBondContact O-CG 3.43Å; K38-K42 PolarHBondContact O-N 3.38Å
39	L	84.6	Confident	78.1	Confident	12 Å²	12	78.5 Å²	78.5	6%	0.063	37%	0.369	C	S	.	.	H	α-helix	trans	-71.9	-37.9	176.8	-71.9	168.1	0	0	0	111.9	E35 L36 R37 K42 Y43 E327 L330 L331 L334	E35-L39 WeakPolarHBondContact O-CB 3.35Å; E35-L39 WeakPolarHBondContact O-CG 3.39Å; E35-L39 PolarHBondContact O-N 3.38Å; L36-L39 PolarHBondContact O-N 3.31Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 2.92Å; L39-K42 PolarHBondContact O-N 3.47Å; L39-Y43 HydrophobicContact CD2-CD2 4.38Å; L39-Y43 HydrophobicContact CD2-CE2 3.99Å; L39-Y43 WeakPolarHBondContact O-CD2 3.28Å; L39-Y43 PolarHBondContact O-N 2.82Å; L39-E327 HydrophobicContact CD2-CB 3.89Å; L39-E327 HydrophobicContact CD2-CG 4.32Å; L39-L330 HydrophobicContact CD1-CB 4.28Å; L39-L330 HydrophobicContact CD1-CD2 3.94Å; L39-L330 HydrophobicContact CD1-CG 3.88Å; L39-L331 HydrophobicContact CB-CB 4.19Å; L39-L331 HydrophobicContact CB-CD1 3.9Å; L39-L331 HydrophobicContact CB-CG 4.42Å; L39-L331 HydrophobicContact CD1-CB 4.15Å; L39-L334 HydrophobicContact CD1-CD1 4.05Å
40	K	84.3	Confident	75.4	Confident	76 Å²	76	79.5 Å²	79.5	33%	0.33	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-39.1	175	176.4	169.1	163.8	148.9	0	112.1	L36 R37 G44 D45	L36-K40 WeakPolarHBondContact O-CB 2.96Å; L36-K40 PolarHBondContact O-N 3Å; R37-K40 CarbonylContact O-C 3.56Å; R37-K40 PolarHBondContact O-N 2.67Å; R37-K40 VanDerWaalsContact O-N 3.13Å; K40-G44 CarbonylContact O-C 3.22Å; K40-G44 WeakPolarHBondContact O-CA 2.93Å; K40-G44 PolarHBondContact O-N 2.93Å; K40-D45 HydrophobicContact CD-CB 4.2Å; K40-D45 WeakPolarHBondContact CD-OD1 3.3Å; K40-D45 WeakPolarHBondContact CE-OD1 3.37Å; K40-D45 WeakPolarHBondContact CE-OD2 3.33Å; K40-D45 HydrophobicContact CG-CB 4.12Å; K40-D45 IonicContact NZ-OD1 3.66Å; K40-D45 PolarHBondContact NZ-OD1 3.33Å; K40-D45 IonicContact NZ-OD2 3.76Å; K40-D45 PolarHBondContact NZ-OD2 2.87Å
41	D	85.9	Confident	72.6	Confident	114 Å²	114	80 Å²	80	61%	0.61	39%	0.392	S	S	*	.	H	α-helix	trans	-68.9	-36.8	176.4	-63	-20.7	0	0	0	111.2	R37	R37-D41 PolarHBondContact O-N 2.88Å
42	K	82.1	Confident	69.9	Low	106 Å²	106	81.1 Å²	81.1	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-71.1	-46.2	179	-78.2	176.7	170.5	-153.9	0	114.2	K38 L39 E327	K38-K42 VanDerWaalsContact O-CG 3.27Å; K38-K42 WeakPolarHBondContact O-CG 3.43Å; K38-K42 PolarHBondContact O-N 3.38Å; L39-K42 PolarHBondContact O-N 3.47Å; K42-E327 IonicContact NZ-OE1 2.91Å; K42-E327 IonicContact NZ-OE2 2.78Å; K42-E327 PolarHBondContact NZ-OE2 3.34Å
43	Y	76.7	Confident	67.5	Low	36 Å²	36	83.6 Å²	83.6	14%	0.141	44%	0.444	C	S	.	.	H	α-helix	trans	-96.8	-14.8	-175.1	-66.2	-68	0	0	0	112.4	L39 Y47 R324 E327 L328 L331	L39-Y43 HydrophobicContact CD2-CD2 4.38Å; L39-Y43 HydrophobicContact CD2-CE2 3.99Å; L39-Y43 WeakPolarHBondContact O-CD2 3.28Å; L39-Y43 PolarHBondContact O-N 2.82Å; Y43-Y47 VanDerWaalsContact O-CB 3.24Å; Y43-Y47 WeakPolarHBondContact O-CB 3.35Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.23Å; Y43-R324 HydrophobicContact CE1-CG 3.83Å; Y43-E327 HydrophobicContact CE2-CB 3.69Å; Y43-E327 VanDerWaalsContact OH-CB 3.31Å; Y43-E327 WeakPolarHBondContact OH-CB 3.48Å; Y43-E327 PolarHBondContact OH-OE2 2.9Å; Y43-L328 HydrophobicContact CD1-CD2 3.84Å; Y43-L328 HydrophobicContact CD1-CG 4.35Å; Y43-L328 HydrophobicContact CD2-CD2 4.12Å; Y43-L328 HydrophobicContact CE1-CD2 4.27Å; Y43-L328 HydrophobicContact CE1-CG 4.3Å; Y43-L328 HydrophobicContact CG-CD2 3.76Å; Y43-L331 HydrophobicContact CD2-CD2 4.41Å
44	G	72.2	Confident	64.7	Low	22 Å²	22	82.2 Å²	82.2	23%	0.227	45%	0.453	C	S	.	.			trans	88.8	148.4	-168.8	0	0	0	0	0	111.1	K40 S46	K40-G44 CarbonylContact O-C 3.22Å; K40-G44 WeakPolarHBondContact O-CA 2.93Å; K40-G44 PolarHBondContact O-N 2.93Å; G44-S46 PolarHBondContact O-N 2.94Å
45	D	63.6	Low	61.8	Low	80 Å²	80	82.9 Å²	82.9	43%	0.428	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.6	165.2	-157.4	28.6	0	0	0	110.9	K40 K335	K40-D45 HydrophobicContact CD-CB 4.2Å; K40-D45 WeakPolarHBondContact CD-OD1 3.3Å; K40-D45 WeakPolarHBondContact CE-OD1 3.37Å; K40-D45 WeakPolarHBondContact CE-OD2 3.33Å; K40-D45 HydrophobicContact CG-CB 4.12Å; K40-D45 IonicContact NZ-OD1 3.66Å; K40-D45 PolarHBondContact NZ-OD1 3.33Å; K40-D45 IonicContact NZ-OD2 3.76Å; K40-D45 PolarHBondContact NZ-OD2 2.87Å; D45-K335 IonicContact OD1-NZ 3.16Å
46	S	53.5	Low	59.2	Low	56 Å²	56	84.4 Å²	84.4	39%	0.392	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.9	-173.9	60.4	0	0	0	0	114.9	G44 I48 T49	G44-S46 PolarHBondContact O-N 2.94Å; S46-I48 CarbonylContact O-C 3.58Å; S46-I48 PolarHBondContact O-N 3.11Å; S46-T49 VanDerWaalsContact C-N 3.32Å; S46-T49 WeakPolarHBondContact CA-OG1 3.24Å; S46-T49 WeakPolarHBondContact CB-O 3.45Å; S46-T49 CarbonylContact O-C 3.56Å; S46-T49 VanDerWaalsContact O-C 3.28Å; S46-T49 PolarHBondContact O-N 2.76Å
47	Y	50.1	Low	56.7	Low	43 Å²	43	87.9 Å²	87.9	17%	0.169	51%	0.505	C	S	.	.	S	Bend	trans	-56.8	-12.4	166.6	-151	-102.6	0	0	0	112.3	Y43 R324 L328 Y446 M449	Y43-Y47 VanDerWaalsContact O-CB 3.24Å; Y43-Y47 WeakPolarHBondContact O-CB 3.35Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.23Å; Y47-R324 PolarHBondContact OH-NH2 2.89Å; Y47-R324 VanDerWaalsContact OH-NH2 3.08Å; Y47-L328 HydrophobicContact CD1-CD2 4.05Å; Y47-L328 HydrophobicContact CE1-CD1 4.25Å; Y47-L328 HydrophobicContact CE1-CD2 4.28Å; Y47-Y446 AromaticContact CD1-CE1 3.77Å; Y47-Y446 HydrophobicContact CD1-CE1 3.77Å; Y47-Y446 AromaticContact CD1-CZ 3.83Å; Y47-Y446 AromaticContact CE1-CE1 3.79Å; Y47-Y446 HydrophobicContact CE1-CE1 3.79Å; Y47-Y446 HydrophobicContact CE1-CE2 4.17Å; Y47-Y446 AromaticContact CE1-CZ 3.52Å; Y47-Y446 WeakPolarHBondContact CE1-OH 3.46Å; Y47-M449 HydrophobicContact CE1-SD 4.32Å; Y47-M449 PolarHBondContact OH-SD 3.3Å
48	I	48	Very low	54.4	Low	34 Å²	34	85.5 Å²	85.5	17%	0.174	51%	0.509	C	S	.	.	S	Bend	trans	-106	-18.9	171.5	-73.2	175.2	0	0	0	112.5	S46 Y442 D445	S46-I48 CarbonylContact O-C 3.58Å; S46-I48 PolarHBondContact O-N 3.11Å; I48-Y442 HydrophobicContact CD1-CD1 4.25Å; I48-Y442 HydrophobicContact CD1-CE1 4.28Å; I48-D445 HydrophobicContact CG1-CB 4.42Å; I48-D445 VanDerWaalsContact CG1-OD2 3.3Å; I48-D445 WeakPolarHBondContact CG1-OD2 3.18Å; I48-D445 HydrophobicContact CG2-CB 4.46Å; I48-D445 VanDerWaalsContact CG2-CG 3.43Å; I48-D445 WeakPolarHBondContact CG2-OD2 3.05Å
49	T	40.9	Very low	52.6	Low	90 Å²	90	87.2 Å²	87.2	55%	0.552	52%	0.519	S	S	*	.	S	Bend	trans	-134.4	85.6	-176.4	58.5	0	0	0	0	113.1	S46	S46-T49 VanDerWaalsContact C-N 3.32Å; S46-T49 WeakPolarHBondContact CA-OG1 3.24Å; S46-T49 WeakPolarHBondContact CB-O 3.45Å; S46-T49 CarbonylContact O-C 3.56Å; S46-T49 VanDerWaalsContact O-C 3.28Å; S46-T49 PolarHBondContact O-N 2.76Å
50	S	33.3	Very low	51.3	Low	90 Å²	90	91.2 Å²	91.2	63%	0.629	54%	0.54	S	S	*	.			trans	77.4	119.8	155.2	-163.9	0	0	0	0	118.3
51	D	31.6	Very low	50.3	Low	150 Å²	150	93.6 Å²	93.6	80%	0.802	55%	0.552	S	S	*	*			trans	33.2	96.6	138.3	-51.7	-41.1	0	0	0	118.5
52	S	34.3	Very low	49.3	Very low	117 Å²	117	94.2 Å²	94.2	82%	0.818	55%	0.546	S	S	*	.			trans	167.2	75.5	134.2	-174.2	0	0	0	0	108.6	S54	S52-S54 PolarHBondContact O-N 3.28Å; S52-S54 VanDerWaalsContact O-N 3.15Å
53	A	37.5	Very low	48.6	Very low	96 Å²	96	89.6 Å²	89.6	79%	0.793	53%	0.528	S	S	*	.			trans	-77.3	99.1	170.9	0	0	0	0	0	108.6	S55	A53-S55 PolarHBondContact O-N 3.42Å; A53-S55 VanDerWaalsContact O-N 3.08Å
54	S	30.9	Very low	48.2	Very low	115 Å²	115	94.6 Å²	94.6	80%	0.804	55%	0.552	S	S	*	*			trans	-65	103.2	164.5	-168.2	0	0	0	0	107.7	S52 S56	S52-S54 PolarHBondContact O-N 3.28Å; S52-S54 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact O-N 3.34Å
55	S	32	Very low	48.1	Very low	82 Å²	82	100.2 Å²	100.2	57%	0.573	57%	0.573	S	S	*	*			trans	-61.6	118.1	169.8	-167	0	0	0	0	108	A53 D57	A53-S55 PolarHBondContact O-N 3.42Å; A53-S55 VanDerWaalsContact O-N 3.08Å; S55-D57 PolarHBondContact O-N 2.92Å
56	S	35.4	Very low	48.9	Very low	126 Å²	126	98.3 Å²	98.3	88%	0.881	56%	0.564	S	S	*	*			trans	-84.4	73.6	165.7	177.7	0	0	0	0	106.4	S54	S54-S56 PolarHBondContact O-N 3.34Å
57	D	34.5	Very low	50.2	Low	102 Å²	102	97.2 Å²	97.2	55%	0.545	56%	0.556	S	S	.	*			trans	-78.2	144.9	173.8	-119.6	-38.6	0	0	0	109.7	S55 E59	S55-D57 PolarHBondContact O-N 2.92Å; D57-E59 HydrophobicContact CB-CG 3.75Å; D57-E59 PolarHBondContact O-N 3.04Å
58	T	41.1	Very low	51.8	Low	115 Å²	115	97.2 Å²	97.2	71%	0.706	56%	0.562	S	S	*	*			trans	-72	74.9	177.6	42.2	0	0	0	0	108.9
59	E	51.9	Low	53.5	Low	170 Å²	170	100.4 Å²	100.4	79%	0.794	58%	0.576	S	S	*	*			trans	-92.1	-3.8	-163.2	-71.9	-145.5	134	0	0	116.8	D57	D57-E59 HydrophobicContact CB-CG 3.75Å; D57-E59 PolarHBondContact O-N 3.04Å
60	D	57.1	Low	55.7	Low	95 Å²	95	97.8 Å²	97.8	51%	0.508	56%	0.558	S	S	.	*			trans	-139.7	53.9	-174.3	-155.7	18.1	0	0	0	115.5	A63	D60-A63 WeakPolarHBondContact OD1-CA 3.28Å; D60-A63 PolarHBondContact OD1-N 3.36Å
61	E	62.9	Low	58.3	Low	127 Å²	127	94.7 Å²	94.7	59%	0.593	53%	0.533	S	S	*	.	S	Bend	trans	-73.6	-17.1	163.9	-65.1	-178.2	163.1	0	0	111.8	D241	E61-D241 WeakPolarHBondContact CB-OD2 3.44Å
62	R	64.8	Low	60.9	Low	127 Å²	127	90 Å²	90	48%	0.479	51%	0.506	S	S	.	.	S	Bend	trans	-90.8	-22.2	-174.9	-162.4	170.7	176.4	91.3	11.2	113.6	E64 D244	R62-E64 VanDerWaalsContact C-N 3.31Å; R62-E64 HydrophobicContact CB-CG 4.1Å; R62-E64 WeakPolarHBondContact CD-OE1 3.48Å; R62-E64 HydrophobicContact CG-CG 3.71Å; R62-E64 IonicContact CZ-OE1 3.79Å; R62-E64 IonicContact NE-OE1 3.95Å; R62-E64 PolarHBondContact NE-OE1 3.14Å; R62-E64 PolarHBondContact O-N 3.27Å; R62-D244 IonicContact CZ-OD1 3.74Å; R62-D244 VanDerWaalsContact CZ-OD1 3.3Å; R62-D244 IonicContact CZ-OD2 3.15Å; R62-D244 IonicContact NE-OD2 2.73Å; R62-D244 IonicContact NH1-OD1 3.92Å; R62-D244 PolarHBondContact NH1-OD1 3.42Å; R62-D244 IonicContact NH1-OD2 3.54Å; R62-D244 PolarHBondContact NH1-OD2 2.85Å; R62-D244 IonicContact NH2-OD1 2.79Å; R62-D244 PolarHBondContact NH2-OD1 2.9Å; R62-D244 IonicContact NH2-OD2 2.61Å; R62-D244 PolarHBondContact NH2-OD2 2.75Å
63	A	69	Low	63.5	Low	9 Å²	9	85 Å²	85	7%	0.074	47%	0.471	C	S	.	.			trans	52	45.8	179.4	0	0	0	0	0	112.7	D60 E65 V66 Y239 R240	D60-A63 WeakPolarHBondContact OD1-CA 3.28Å; D60-A63 PolarHBondContact OD1-N 3.36Å; A63-E65 PolarHBondContact O-N 3.39Å; A63-V66 HydrophobicContact CB-CG2 3.97Å; A63-V66 PolarHBondContact O-N 2.89Å; A63-Y239 HydrophobicContact CB-CD2 3.84Å; A63-Y239 HydrophobicContact CB-CE2 3.64Å; A63-R240 HydrophobicContact CB-CG 4.36Å
64	E	67.6	Low	66.1	Low	140 Å²	140	84.4 Å²	84.4	65%	0.654	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27	-176.5	-67	-165.9	157.5	0	0	112.7	R62 V66	R62-E64 VanDerWaalsContact C-N 3.31Å; R62-E64 HydrophobicContact CB-CG 4.1Å; R62-E64 WeakPolarHBondContact CD-OE1 3.48Å; R62-E64 HydrophobicContact CG-CG 3.71Å; R62-E64 IonicContact CZ-OE1 3.79Å; R62-E64 IonicContact NE-OE1 3.95Å; R62-E64 PolarHBondContact NE-OE1 3.14Å; R62-E64 PolarHBondContact O-N 3.27Å; E64-V66 PolarHBondContact O-N 2.96Å
65	E	71.2	Confident	69	Low	140 Å²	140	79.4 Å²	79.4	65%	0.654	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.8	178.1	-62.4	-169.2	175.9	0	0	113.2	A63 S67	A63-E65 PolarHBondContact O-N 3.39Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.01Å
66	V	78.9	Confident	71.8	Confident	41 Å²	41	79.5 Å²	79.5	25%	0.248	40%	0.404	C	S	.	.			trans	-78.6	87.5	179.1	-175.2	0	0	0	0	109.2	A63 E64 E71 Y239 R240	A63-V66 HydrophobicContact CB-CG2 3.97Å; A63-V66 PolarHBondContact O-N 2.89Å; E64-V66 PolarHBondContact O-N 2.96Å; V66-E71 HydrophobicContact CG1-CG 3.47Å; V66-E71 VanDerWaalsContact CG1-CG 3.47Å; V66-Y239 HydrophobicContact CG1-CE2 4.49Å; V66-Y239 WeakPolarHBondContact CG1-OH 3.41Å; V66-Y239 HydrophobicContact CG2-CE2 4.44Å; V66-R240 PolarHBondContact O-NH2 2.69Å
67	S	82.2	Confident	74.4	Confident	32 Å²	32	74.4 Å²	74.4	22%	0.224	37%	0.37	C	S	.	.			trans	-77.4	154	173.5	73	0	0	0	0	111.7	E65 E69 M70 E71	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.01Å; S67-E69 PolarHBondContact O-N 3.17Å; S67-E69 VanDerWaalsContact O-N 3.15Å; S67-M70 PolarHBondContact O-N 3.37Å; S67-M70 PolarHBondContact OG-N 3.03Å; S67-E71 PolarHBondContact O-N 2.92Å
68	P	82.4	Confident	77.1	Confident	44 Å²	44	70.6 Å²	70.6	29%	0.286	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-28.9	175.2	-24.5	33.6	0	0	0	113.5	K72 E189	P68-K72 VanDerWaalsContact O-CG 3.32Å; P68-K72 WeakPolarHBondContact O-CG 3.46Å; P68-K72 PolarHBondContact O-N 3.16Å; P68-E189 HydrophobicContact CB-CG 4.48Å; P68-E189 WeakPolarHBondContact CG-OE1 3.34Å
69	E	83.6	Confident	79.5	Confident	100 Å²	100	65.3 Å²	65.3	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-43.8	175.4	-67.5	166.6	-171.3	0	0	110.9	S67 K72 S73 K104	S67-E69 PolarHBondContact O-N 3.17Å; S67-E69 VanDerWaalsContact O-N 3.15Å; E69-K72 PolarHBondContact O-N 3.32Å; E69-S73 PolarHBondContact O-N 3.13Å; E69-S73 VanDerWaalsContact O-N 3.11Å; E69-K104 IonicContact OE1-NZ 3.04Å; E69-K104 PolarHBondContact OE1-NZ 2.87Å; E69-K104 IonicContact OE2-NZ 2.98Å; E69-K104 PolarHBondContact OE2-NZ 3.01Å
70	M	87.3	Confident	81.4	Confident	36 Å²	36	57.6 Å²	57.6	18%	0.177	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-35.7	175.2	-170.5	-177.4	-66.3	0	0	112.3	S67 K72 S73 F74 E100 Q101	S67-M70 PolarHBondContact O-N 3.37Å; S67-M70 PolarHBondContact OG-N 3.03Å; M70-K72 VanDerWaalsContact C-N 3.34Å; M70-S73 WeakPolarHBondContact CA-OG 3.32Å; M70-S73 PolarHBondContact O-N 3.41Å; M70-S73 PolarHBondContact O-OG 3.21Å; M70-F74 WeakPolarHBondContact O-CB 3.19Å; M70-F74 PolarHBondContact O-N 3.17Å; M70-E100 WeakPolarHBondContact CE-O 3.29Å; M70-Q101 HydrophobicContact CE-CG 4.13Å
71	E	87.7	Confident	83	Confident	25 Å²	25	58 Å²	58	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-41.2	174	-70.4	-176.5	160	0	0	111.4	V66 S67 F74 F75 R237 Y239	V66-E71 HydrophobicContact CG1-CG 3.47Å; V66-E71 VanDerWaalsContact CG1-CG 3.47Å; S67-E71 PolarHBondContact O-N 2.92Å; E71-F74 WeakPolarHBondContact O-CB 2.77Å; E71-F74 PolarHBondContact O-N 2.93Å; E71-F75 HydrophobicContact CB-CE2 4.25Å; E71-F75 WeakPolarHBondContact O-CD2 3.35Å; E71-F75 WeakPolarHBondContact O-CG 3.43Å; E71-F75 PolarHBondContact O-N 3.49Å; E71-R237 IonicContact OE1-CZ 2.84Å; E71-R237 IonicContact OE1-NE 3.3Å; E71-R237 PolarHBondContact OE1-NE 3.18Å; E71-R237 IonicContact OE2-CZ 2.71Å; E71-R237 VanDerWaalsContact OE2-CZ 3.3Å; E71-R237 IonicContact OE2-NE 3.87Å; E71-R237 PolarHBondContact OE2-NE 3.3Å; E71-R237 IonicContact OE2-NH2 3.86Å; E71-R237 PolarHBondContact OE2-NH2 3.45Å; E71-Y239 PolarHBondContact OE1-OH 2.86Å
72	K	86.5	Confident	84.2	Confident	52 Å²	52	53.9 Å²	53.9	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-43.6	175.8	-71.5	172.2	-179	-171.2	0	112	P68 E69 M70 F74 F75 K76 F192	P68-K72 VanDerWaalsContact O-CG 3.32Å; P68-K72 WeakPolarHBondContact O-CG 3.46Å; P68-K72 PolarHBondContact O-N 3.16Å; E69-K72 PolarHBondContact O-N 3.32Å; M70-K72 VanDerWaalsContact C-N 3.34Å; K72-F74 VanDerWaalsContact C-N 3.31Å; K72-F74 PolarHBondContact O-N 3.47Å; K72-F75 PolarHBondContact O-N 2.97Å; K72-K76 PolarHBondContact O-N 2.85Å; K72-F192 HydrophobicContact CG-CE1 4.15Å; K72-F192 HydrophobicContact CG-CE2 4.37Å; K72-F192 HydrophobicContact CG-CZ 3.91Å
73	S	89	Confident	85.3	Confident	11 Å²	11	49.7 Å²	49.7	8%	0.077	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-35.7	175.5	60	0	0	0	0	111.9	E69 M70 K76 A77 F95 F96 E100	E69-S73 PolarHBondContact O-N 3.13Å; E69-S73 VanDerWaalsContact O-N 3.11Å; M70-S73 WeakPolarHBondContact CA-OG 3.32Å; M70-S73 PolarHBondContact O-N 3.41Å; M70-S73 PolarHBondContact O-OG 3.21Å; S73-K76 WeakPolarHBondContact O-CB 3.5Å; S73-K76 PolarHBondContact O-N 3.19Å; S73-A77 PolarHBondContact O-N 3.44Å; S73-F95 WeakPolarHBondContact CB-O 3.12Å; S73-F96 WeakPolarHBondContact OG-CD1 3.26Å; S73-E100 WeakPolarHBondContact CB-OE2 3.49Å; S73-E100 PolarHBondContact OG-OE2 2.92Å
74	F	92.1	Very high	86.2	Confident	84 Å²	84	58.8 Å²	58.8	37%	0.368	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-47.5	170.3	171.4	-97	0	0	0	112.6	M70 E71 K72 K76 A77 L78 F96 L234	M70-F74 WeakPolarHBondContact O-CB 3.19Å; M70-F74 PolarHBondContact O-N 3.17Å; E71-F74 WeakPolarHBondContact O-CB 2.77Å; E71-F74 PolarHBondContact O-N 2.93Å; K72-F74 VanDerWaalsContact C-N 3.31Å; K72-F74 PolarHBondContact O-N 3.47Å; F74-K76 VanDerWaalsContact C-N 3.29Å; F74-K76 PolarHBondContact O-N 3.26Å; F74-A77 PolarHBondContact O-N 3.19Å; F74-A77 VanDerWaalsContact O-N 3.16Å; F74-L78 HydrophobicContact CE1-CD2 4.14Å; F74-L78 HydrophobicContact CZ-CD2 4.42Å; F74-L78 WeakPolarHBondContact O-CB 3.38Å; F74-L78 PolarHBondContact O-N 3.12Å; F74-F96 HydrophobicContact CB-CE1 4.11Å; F74-F96 HydrophobicContact CB-CZ 4.28Å; F74-L234 HydrophobicContact CE1-CD1 4.18Å; F74-L234 HydrophobicContact CE1-CD2 4.17Å
75	F	91.2	Very high	87.2	Confident	10 Å²	10	54.4 Å²	54.4	4%	0.044	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-34.4	176.5	-68.3	-54.9	0	0	0	112.3	E71 K72 L78 S79 F192 L196 L211 L214 W218 L234 L235	E71-F75 HydrophobicContact CB-CE2 4.25Å; E71-F75 WeakPolarHBondContact O-CD2 3.35Å; E71-F75 WeakPolarHBondContact O-CG 3.43Å; E71-F75 PolarHBondContact O-N 3.49Å; K72-F75 PolarHBondContact O-N 2.97Å; F75-L78 HydrophobicContact CD1-CD2 4.4Å; F75-L78 PolarHBondContact O-N 3.41Å; F75-S79 WeakPolarHBondContact O-CB 3.33Å; F75-S79 PolarHBondContact O-N 3.19Å; F75-S79 PolarHBondContact O-OG 3.02Å; F75-F192 HydrophobicContact CD2-CE1 4.13Å; F75-F192 HydrophobicContact CD2-CZ 4.32Å; F75-F192 HydrophobicContact CE2-CE1 4.38Å; F75-L196 HydrophobicContact CD1-CD2 4.17Å; F75-L196 HydrophobicContact CD2-CD2 4.17Å; F75-L196 HydrophobicContact CE1-CD2 4.36Å; F75-L196 HydrophobicContact CE2-CD2 4.36Å; F75-L196 HydrophobicContact CG-CD2 4.09Å; F75-L196 HydrophobicContact CZ-CD2 4.46Å; F75-L211 VanDerWaalsContact C-CD2 3.4Å; F75-L211 HydrophobicContact CB-CD2 3.6Å; F75-L211 WeakPolarHBondContact O-CD2 3.29Å; F75-L214 HydrophobicContact CB-CD2 4.22Å; F75-L214 HydrophobicContact CD1-CD2 4.03Å; F75-W218 HydrophobicContact CD1-CH2 4.2Å; F75-W218 AromaticContact CE1-CH2 3.88Å; F75-W218 HydrophobicContact CE1-CH2 3.88Å; F75-L234 HydrophobicContact CE1-CB 4.19Å; F75-L234 HydrophobicContact CE1-CD1 4.28Å; F75-L234 HydrophobicContact CZ-CB 4.33Å; F75-L235 HydrophobicContact CZ-CD2 4.38Å
76	K	90.5	Very high	88.1	Confident	83 Å²	83	52 Å²	52	36%	0.361	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-41	171.8	176.5	169.9	172.7	155.6	0	112.2	K72 S73 F74 S79 A80 F95 D210	K72-K76 PolarHBondContact O-N 2.85Å; S73-K76 WeakPolarHBondContact O-CB 3.5Å; S73-K76 PolarHBondContact O-N 3.19Å; F74-K76 VanDerWaalsContact C-N 3.29Å; F74-K76 PolarHBondContact O-N 3.26Å; K76-S79 WeakPolarHBondContact CA-OG 3.39Å; K76-S79 PolarHBondContact O-OG 3.27Å; K76-A80 PolarHBondContact O-N 2.62Å; K76-F95 HydrophobicContact CG-CD1 4.19Å; K76-F95 HydrophobicContact CG-CE1 4.32Å; K76-D210 HydrophobicContact CD-CB 4.3Å; K76-D210 WeakPolarHBondContact CD-OD2 3.44Å; K76-D210 WeakPolarHBondContact CE-OD2 3.35Å; K76-D210 HydrophobicContact CG-CB 4.11Å; K76-D210 IonicContact NZ-OD2 2.69Å; K76-D210 PolarHBondContact NZ-OD2 3.02Å
77	A	91.7	Very high	88.5	Confident	20 Å²	20	54.3 Å²	54.3	17%	0.165	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-40.7	172.9	0	0	0	0	0	111.8	S73 F74 A80 L81 F95 F96	S73-A77 PolarHBondContact O-N 3.44Å; F74-A77 PolarHBondContact O-N 3.19Å; F74-A77 VanDerWaalsContact O-N 3.16Å; A77-A80 PolarHBondContact O-N 3.04Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 PolarHBondContact O-N 3.1Å; A77-F95 HydrophobicContact CB-CB 4.08Å; A77-F95 HydrophobicContact CB-CD1 3.73Å; A77-F95 HydrophobicContact CB-CE1 4.34Å; A77-F95 HydrophobicContact CB-CG 3.91Å; A77-F96 HydrophobicContact CB-CE2 4.18Å; A77-F96 HydrophobicContact CB-CZ 4.13Å
78	L	91.5	Very high	88.8	Confident	21 Å²	21	55.1 Å²	55.1	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-41.7	-179.9	-176.3	61.5	0	0	0	112.2	F74 F75 L81 K82 L214 W218 L234	F74-L78 HydrophobicContact CE1-CD2 4.14Å; F74-L78 HydrophobicContact CZ-CD2 4.42Å; F74-L78 WeakPolarHBondContact O-CB 3.38Å; F74-L78 PolarHBondContact O-N 3.12Å; F75-L78 HydrophobicContact CD1-CD2 4.4Å; F75-L78 PolarHBondContact O-N 3.41Å; L78-L81 PolarHBondContact O-N 3.03Å; L78-K82 HydrophobicContact CD1-CG 4.18Å; L78-K82 HydrophobicContact CG-CG 4.43Å; L78-K82 WeakPolarHBondContact O-CB 3.39Å; L78-K82 VanDerWaalsContact O-CG 3.29Å; L78-K82 WeakPolarHBondContact O-CG 3.37Å; L78-K82 PolarHBondContact O-N 2.94Å; L78-L214 HydrophobicContact CB-CD2 4.48Å; L78-L214 HydrophobicContact CD2-CD1 4.12Å; L78-L214 HydrophobicContact CD2-CD2 4.12Å; L78-L214 HydrophobicContact CG-CD1 4.1Å; L78-L214 HydrophobicContact CG-CD2 4.36Å; L78-W218 HydrophobicContact CD2-CZ2 4.21Å; L78-L234 HydrophobicContact CD2-CD1 4.3Å
79	S	91.2	Very high	89.1	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-48.6	174.6	60.1	0	0	0	0	111.5	F75 K76 L81 K82 A83 D210	F75-S79 WeakPolarHBondContact O-CB 3.33Å; F75-S79 PolarHBondContact O-N 3.19Å; F75-S79 PolarHBondContact O-OG 3.02Å; K76-S79 WeakPolarHBondContact CA-OG 3.39Å; K76-S79 PolarHBondContact O-OG 3.27Å; S79-L81 VanDerWaalsContact C-N 3.34Å; S79-L81 PolarHBondContact O-N 2.89Å; S79-K82 PolarHBondContact O-N 2.8Å; S79-A83 VanDerWaalsContact O-CB 3.24Å; S79-A83 WeakPolarHBondContact O-CB 3.5Å; S79-A83 PolarHBondContact O-N 3.07Å; S79-D210 VanDerWaalsContact CB-O 3.28Å; S79-D210 WeakPolarHBondContact CB-O 3.2Å; S79-D210 PolarHBondContact OG-O 3.32Å
80	A	91.1	Very high	89.5	Confident	8 Å²	8	60.9 Å²	60.9	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-40.1	176	0	0	0	0	0	112.4	K76 A77 R84 D85 I88 F95	K76-A80 PolarHBondContact O-N 2.62Å; A77-A80 PolarHBondContact O-N 3.04Å; A80-R84 PolarHBondContact O-N 2.69Å; A80-D85 HydrophobicContact CB-CB 4.27Å; A80-D85 PolarHBondContact O-N 2.92Å; A80-I88 HydrophobicContact CB-CG2 3.89Å; A80-F95 HydrophobicContact CB-CE1 3.88Å; A80-F95 HydrophobicContact CB-CZ 3.84Å
81	L	90.9	Very high	89.6	Confident	103 Å²	103	64.7 Å²	64.7	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-45.2	177.6	-175.6	66.9	0	0	0	112.1	A77 L78 S79 R84 I88	A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 3.03Å; S79-L81 VanDerWaalsContact C-N 3.34Å; S79-L81 PolarHBondContact O-N 2.89Å; L81-R84 PolarHBondContact O-N 3.11Å; L81-R84 VanDerWaalsContact O-N 3.14Å; L81-I88 HydrophobicContact CD1-CD1 3.95Å
82	K	88.1	Confident	89.6	Confident	41 Å²	41	70.7 Å²	70.7	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-67.7	-38.7	178.5	-69.6	-81.5	-177.2	159.9	0	111	L78 S79 R84 Y213 L214 F217 E227	L78-K82 HydrophobicContact CD1-CG 4.18Å; L78-K82 HydrophobicContact CG-CG 4.43Å; L78-K82 WeakPolarHBondContact O-CB 3.39Å; L78-K82 VanDerWaalsContact O-CG 3.29Å; L78-K82 WeakPolarHBondContact O-CG 3.37Å; L78-K82 PolarHBondContact O-N 2.94Å; S79-K82 PolarHBondContact O-N 2.8Å; K82-R84 PolarHBondContact O-N 3.16Å; K82-Y213 HydrophobicContact CB-CD1 4.22Å; K82-Y213 HydrophobicContact CB-CE1 3.77Å; K82-Y213 PolarHBondContact O-OH 2.87Å; K82-L214 HydrophobicContact CG-CD1 4.5Å; K82-F217 HydrophobicContact CD-CD1 4.28Å; K82-F217 HydrophobicContact CD-CE1 3.83Å; K82-F217 HydrophobicContact CD-CZ 4Å; K82-E227 IonicContact NZ-OE1 2.87Å; K82-E227 PolarHBondContact NZ-OE1 2.95Å; K82-E227 IonicContact NZ-OE2 2.82Å; K82-E227 PolarHBondContact NZ-OE2 3.39Å
83	A	88	Confident	89.7	Confident	39 Å²	39	70.8 Å²	70.8	32%	0.322	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-15.9	173.1	0	0	0	0	0	113.5	S79 D85 Y213	S79-A83 VanDerWaalsContact O-CB 3.24Å; S79-A83 WeakPolarHBondContact O-CB 3.5Å; S79-A83 PolarHBondContact O-N 3.07Å; A83-D85 HydrophobicContact CB-CB 4.47Å; A83-D85 PolarHBondContact O-N 2.89Å; A83-Y213 VanDerWaalsContact CA-CZ 3.49Å; A83-Y213 HydrophobicContact CB-CD1 3.65Å; A83-Y213 HydrophobicContact CB-CD2 3.93Å; A83-Y213 HydrophobicContact CB-CE1 3.86Å; A83-Y213 HydrophobicContact CB-CE2 4.09Å; A83-Y213 HydrophobicContact CB-CG 3.7Å
84	R	87.5	Confident	89.7	Confident	201 Å²	201	75 Å²	75	76%	0.758	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.6	-169.7	-58.5	162	153.7	78.4	-2.1	111.3	A80 L81 K82	A80-R84 PolarHBondContact O-N 2.69Å; L81-R84 PolarHBondContact O-N 3.11Å; L81-R84 VanDerWaalsContact O-N 3.14Å; K82-R84 PolarHBondContact O-N 3.16Å
85	D	88	Confident	89.5	Confident	48 Å²	48	72.8 Å²	72.8	26%	0.257	37%	0.374	S	S	.	.			trans	-62.3	127	179.5	-169.8	-10.8	0	0	0	108.8	A80 A83 K87 I88	A80-D85 HydrophobicContact CB-CB 4.27Å; A80-D85 PolarHBondContact O-N 2.92Å; A83-D85 HydrophobicContact CB-CB 4.47Å; A83-D85 PolarHBondContact O-N 2.89Å; D85-K87 PolarHBondContact O-N 3.29Å; D85-K87 PolarHBondContact OD1-N 3.39Å; D85-K87 VanDerWaalsContact OD2-CD 3.28Å; D85-K87 WeakPolarHBondContact OD2-CD 3.49Å; D85-K87 WeakPolarHBondContact OD2-CE 3.29Å; D85-K87 IonicContact OD2-NZ 3.16Å; D85-K87 PolarHBondContact OD2-NZ 2.82Å; D85-K87 VanDerWaalsContact OD2-NZ 3.16Å; D85-I88 WeakPolarHBondContact O-CG1 3.36Å; D85-I88 PolarHBondContact O-N 3.34Å; D85-I88 VanDerWaalsContact O-N 3.14Å
86	P	90.1	Very high	89.4	Confident	88 Å²	88	76.1 Å²	76.1	57%	0.571	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-50.2	-24.3	177.7	-30.4	35.1	0	0	0	114.9	I88 Y89	P86-I88 PolarHBondContact O-N 2.85Å; P86-Y89 PolarHBondContact O-N 3.34Å
87	K	87.5	Confident	89	Confident	90 Å²	90	75.9 Å²	75.9	39%	0.391	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-51.9	-28.3	176.4	-68.9	-179.2	-163.8	151	0	114.4	D85 Y89 D90 V93	D85-K87 PolarHBondContact O-N 3.29Å; D85-K87 PolarHBondContact OD1-N 3.39Å; D85-K87 VanDerWaalsContact OD2-CD 3.28Å; D85-K87 WeakPolarHBondContact OD2-CD 3.49Å; D85-K87 WeakPolarHBondContact OD2-CE 3.29Å; D85-K87 IonicContact OD2-NZ 3.16Å; D85-K87 PolarHBondContact OD2-NZ 2.82Å; D85-K87 VanDerWaalsContact OD2-NZ 3.16Å; K87-Y89 PolarHBondContact O-N 2.87Å; K87-D90 PolarHBondContact O-N 2.82Å; K87-V93 HydrophobicContact CB-CG1 4.4Å; K87-V93 HydrophobicContact CB-CG2 4.22Å; K87-V93 HydrophobicContact CG-CG2 4.43Å
88	I	89.4	Confident	88	Confident	49 Å²	49	83 Å²	83	25%	0.251	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-66	-19.4	178.1	70.6	-177.1	0	0	0	113	A80 L81 D85 P86 F95	A80-I88 HydrophobicContact CB-CG2 3.89Å; L81-I88 HydrophobicContact CD1-CD1 3.95Å; D85-I88 WeakPolarHBondContact O-CG1 3.36Å; D85-I88 PolarHBondContact O-N 3.34Å; D85-I88 VanDerWaalsContact O-N 3.14Å; P86-I88 PolarHBondContact O-N 2.85Å; I88-F95 HydrophobicContact CG2-CE2 4.43Å; I88-F95 HydrophobicContact CG2-CZ 4.25Å
89	Y	88.6	Confident	86.9	Confident	183 Å²	183	86.3 Å²	86.3	72%	0.718	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-100.1	-10.1	178.6	-57	-70.2	0	0	0	113	P86 K87 P91	P86-Y89 PolarHBondContact O-N 3.34Å; K87-Y89 PolarHBondContact O-N 2.87Å; Y89-P91 WeakPolarHBondContact O-CD 3.42Å
90	D	91.4	Very high	85.4	Confident	83 Å²	83	88 Å²	88	44%	0.444	45%	0.451	S	S	.	.			trans	-79.9	115.2	179.2	-74	-31.8	0	0	0	109.7	K87 N92 V93	K87-D90 PolarHBondContact O-N 2.82Å; D90-N92 PolarHBondContact O-N 2.95Å; D90-V93 HydrophobicContact CB-CB 4.44Å; D90-V93 HydrophobicContact CB-CG2 3.83Å; D90-V93 PolarHBondContact O-N 3.31Å
91	P	89.6	Confident	83.7	Confident	116 Å²	116	92.9 Å²	92.9	75%	0.753	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.4	-179.5	28.1	-35.9	0	0	0	113.2	Y89	Y89-P91 WeakPolarHBondContact O-CD 3.42Å
92	N	87.3	Confident	81.8	Confident	150 Å²	150	94.7 Å²	94.7	80%	0.802	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-13.9	177.1	-61	-34.7	0	0	0	112.6	D90	D90-N92 PolarHBondContact O-N 2.95Å
93	V	89	Confident	79.6	Confident	55 Å²	55	98 Å²	98	33%	0.333	50%	0.504	S	S	.	.			trans	-92.7	115.3	178.4	-179.5	0	0	0	0	108.6	K87 D90 F95	K87-V93 HydrophobicContact CB-CG1 4.4Å; K87-V93 HydrophobicContact CB-CG2 4.22Å; K87-V93 HydrophobicContact CG-CG2 4.43Å; D90-V93 HydrophobicContact CB-CB 4.44Å; D90-V93 HydrophobicContact CB-CG2 3.83Å; D90-V93 PolarHBondContact O-N 3.31Å; V93-F95 HydrophobicContact CG1-CD2 4.27Å; V93-F95 HydrophobicContact CG1-CE2 3.79Å; V93-F95 HydrophobicContact CG1-CZ 3.98Å
94	V	88.5	Confident	77.5	Confident	98 Å²	98	103.6 Å²	103.6	59%	0.594	52%	0.521	S	S	*	.			trans	-106.1	116.3	177.7	-178.9	0	0	0	0	108.3	F96	V94-F96 VanDerWaalsContact CG1-O 3.23Å; V94-F96 WeakPolarHBondContact CG1-O 3.46Å
95	F	87.6	Confident	75.1	Confident	38 Å²	38	102.1 Å²	102.1	17%	0.167	52%	0.522	C	S	.	.	S	Bend	trans	-83.3	-37.4	176.2	-71.9	-85.1	0	0	0	112.5	S73 K76 A77 A80 I88 V93	S73-F95 WeakPolarHBondContact CB-O 3.12Å; K76-F95 HydrophobicContact CG-CD1 4.19Å; K76-F95 HydrophobicContact CG-CE1 4.32Å; A77-F95 HydrophobicContact CB-CB 4.08Å; A77-F95 HydrophobicContact CB-CD1 3.73Å; A77-F95 HydrophobicContact CB-CE1 4.34Å; A77-F95 HydrophobicContact CB-CG 3.91Å; A80-F95 HydrophobicContact CB-CE1 3.88Å; A80-F95 HydrophobicContact CB-CZ 3.84Å; I88-F95 HydrophobicContact CG2-CE2 4.43Å; I88-F95 HydrophobicContact CG2-CZ 4.25Å; V93-F95 HydrophobicContact CG1-CD2 4.27Å; V93-F95 HydrophobicContact CG1-CE2 3.79Å; V93-F95 HydrophobicContact CG1-CZ 3.98Å
96	F	89.9	Confident	72.6	Confident	80 Å²	80	107 Å²	107	35%	0.351	55%	0.549	S	S	.	.	S	Bend	trans	-114.5	113.6	-176.7	-59.3	-79	0	0	0	109.6	S73 F74 A77 V94	S73-F96 WeakPolarHBondContact OG-CD1 3.26Å; F74-F96 HydrophobicContact CB-CE1 4.11Å; F74-F96 HydrophobicContact CB-CZ 4.28Å; A77-F96 HydrophobicContact CB-CE2 4.18Å; A77-F96 HydrophobicContact CB-CZ 4.13Å; V94-F96 VanDerWaalsContact CG1-O 3.23Å; V94-F96 WeakPolarHBondContact CG1-O 3.46Å
97	N	81.6	Confident	70.1	Confident	79 Å²	79	108.1 Å²	108.1	42%	0.422	55%	0.554	S	S	.	*			trans	-74.6	136.4	174.4	-62.7	-58.6	0	0	0	109.3	S99 E100	N97-S99 PolarHBondContact O-N 2.7Å; N97-E100 HydrophobicContact CB-CG 4.35Å; N97-E100 PolarHBondContact ND2-OE1 3.1Å; N97-E100 WeakPolarHBondContact O-CB 2.92Å; N97-E100 PolarHBondContact O-N 3.13Å
98	K	71.6	Confident	67.5	Low	168 Å²	168	109.8 Å²	109.8	73%	0.73	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-19.7	179.8	-152	172.5	-174.1	173.7	0	113.3	E100 Q101	K98-E100 VanDerWaalsContact C-N 3.35Å; K98-Q101 PolarHBondContact O-N 3.24Å
99	S	68.1	Low	64.9	Low	91 Å²	91	110.8 Å²	110.8	64%	0.636	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-26.3	172.6	52.8	0	0	0	0	113.7	N97 Q101	N97-S99 PolarHBondContact O-N 2.7Å; S99-Q101 VanDerWaalsContact C-N 3.27Å
100	E	59.6	Low	62.5	Low	39 Å²	39	111 Å²	111	18%	0.182	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-20.5	177	-67.6	162.1	-145.7	0	0	111.7	M70 S73 N97 K98	M70-E100 WeakPolarHBondContact CE-O 3.29Å; S73-E100 WeakPolarHBondContact CB-OE2 3.49Å; S73-E100 PolarHBondContact OG-OE2 2.92Å; N97-E100 HydrophobicContact CB-CG 4.35Å; N97-E100 PolarHBondContact ND2-OE1 3.1Å; N97-E100 WeakPolarHBondContact O-CB 2.92Å; N97-E100 PolarHBondContact O-N 3.13Å; K98-E100 VanDerWaalsContact C-N 3.35Å
101	Q	55.8	Low	60	Low	111 Å²	111	112.8 Å²	112.8	52%	0.519	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	-8.2	-179	-65.7	-178.9	-22.1	0	0	113.6	M70 K98 S99	M70-Q101 HydrophobicContact CE-CG 4.13Å; K98-Q101 PolarHBondContact O-N 3.24Å; S99-Q101 VanDerWaalsContact C-N 3.27Å
102	Q	50.4	Low	57.7	Low	142 Å²	142	115.4 Å²	115.4	66%	0.664	62%	0.622	S	S	*	*	S	Bend	trans	-99.1	134.2	177.6	-65.4	-161.2	-44.3	0	0	109.4	K104	Q102-K104 PolarHBondContact O-N 3.41Å
103	P	43.2	Very low	55.6	Low	109 Å²	109	113.7 Å²	113.7	71%	0.708	62%	0.618	S	S	*	*			trans	-54.4	135.2	173	21.9	-30.4	0	0	0	108.4	E105	P103-E105 PolarHBondContact O-N 3.07Å
104	K	42.5	Very low	53.4	Low	158 Å²	158	121 Å²	121	69%	0.687	65%	0.645	S	S	*	*			trans	-64.7	83.5	170.4	-70.2	179.1	-179.1	170	0	106.8	E69 Q102 D106	E69-K104 IonicContact OE1-NZ 3.04Å; E69-K104 PolarHBondContact OE1-NZ 2.87Å; E69-K104 IonicContact OE2-NZ 2.98Å; E69-K104 PolarHBondContact OE2-NZ 3.01Å; Q102-K104 PolarHBondContact O-N 3.41Å; K104-D106 PolarHBondContact O-N 2.78Å
105	E	38.5	Very low	51.5	Low	169 Å²	169	122.9 Å²	122.9	79%	0.79	65%	0.647	S	S	*	*			trans	-61.9	114.7	157	-76.7	-168.2	165	0	0	105.7	P103 T107	P103-E105 PolarHBondContact O-N 3.07Å; E105-T107 PolarHBondContact O-N 2.93Å
106	D	33.9	Very low	49.9	Very low	152 Å²	152	125.7 Å²	125.7	81%	0.813	67%	0.669	S	S	*	*	S	Bend	trans	-51.3	105.5	162.4	-70.1	-39.7	0	0	0	107.5	K104	K104-D106 PolarHBondContact O-N 2.78Å
107	T	37.7	Very low	49.1	Very low	110 Å²	110	127.5 Å²	127.5	68%	0.675	69%	0.687	S	S	*	*	S	Bend	trans	160.5	117.3	142.2	43.4	0	0	0	0	109.4	E105 G109	E105-T107 PolarHBondContact O-N 2.93Å; T107-G109 PolarHBondContact O-N 3.35Å
108	S	33.9	Very low	48.8	Very low	126 Å²	126	129.1 Å²	129.1	88%	0.881	69%	0.693	S	S	*	*			trans	11.4	52.5	133.1	55.7	0	0	0	0	119.2	K110	S108-K110 PolarHBondContact O-N 3.45Å
109	G	34.3	Very low	49.4	Very low	70 Å²	70	127.2 Å²	127.2	72%	0.722	69%	0.686	S	S	*	*			trans	-100.2	54.4	173.5	0	0	0	0	0	111.6	T107 S111	T107-G109 PolarHBondContact O-N 3.35Å; G109-S111 PolarHBondContact O-N 3.49Å; G109-S111 VanDerWaalsContact O-N 3.1Å
110	K	38.2	Very low	50	Low	188 Å²	188	128.7 Å²	128.7	82%	0.817	69%	0.687	S	S	*	*			trans	-51.7	123.6	168.4	-88.1	176.3	-179.2	167.7	0	107.7	S108 K112	S108-K110 PolarHBondContact O-N 3.45Å; K110-K112 PolarHBondContact O-N 3.12Å
111	S	38.5	Very low	51.3	Low	120 Å²	120	136.4 Å²	136.4	84%	0.839	71%	0.714	S	S	*	*			trans	-60.2	75.3	177.1	49	0	0	0	0	110.6	G109 T113	G109-S111 PolarHBondContact O-N 3.49Å; G109-S111 VanDerWaalsContact O-N 3.1Å; S111-T113 PolarHBondContact O-N 3.37Å
112	K	41.2	Very low	52.9	Low	170 Å²	170	134 Å²	134	74%	0.739	71%	0.705	S	S	*	*			trans	-67.5	103.6	172.8	-73.9	-178.8	-179.2	174.3	0	106.3	K110 K114	K110-K112 PolarHBondContact O-N 3.12Å; K112-K114 PolarHBondContact O-N 2.75Å
113	T	43.6	Very low	54.4	Low	114 Å²	114	132 Å²	132	70%	0.699	70%	0.698	S	S	*	*			trans	-29.9	113.6	143.9	39.9	0	0	0	0	106.9	S111 Q115	S111-T113 PolarHBondContact O-N 3.37Å; T113-Q115 VanDerWaalsContact C-N 3.3Å; T113-Q115 PolarHBondContact O-N 3.21Å
114	K	42.9	Very low	56.3	Low	208 Å²	208	131.7 Å²	131.7	90%	0.904	69%	0.687	S	S	*	*			trans	-48.5	95.5	-167.8	-67.3	175.6	179	177.9	0	109.2	K112	K112-K114 PolarHBondContact O-N 2.75Å
115	Q	49.3	Very low	58.3	Low	139 Å²	139	132.1 Å²	132.1	65%	0.65	68%	0.684	S	S	*	*			trans	-68.1	128.2	170.8	-70.9	-67.6	-20.1	0	0	104.4	T113 V117	T113-Q115 VanDerWaalsContact C-N 3.3Å; T113-Q115 PolarHBondContact O-N 3.21Å; Q115-V117 PolarHBondContact O-N 3.06Å
116	P	52.9	Low	60.3	Low	96 Å²	96	129.8 Å²	129.8	62%	0.623	67%	0.674	S	S	*	*			trans	-55	129.1	-179.9	22.6	-31.4	0	0	0	108.3	M118	P116-M118 PolarHBondContact O-N 3.22Å
117	V	73.1	Confident	62.5	Low	119 Å²	119	131.3 Å²	131.3	72%	0.721	67%	0.668	S	S	*	*			trans	-56.4	114.9	179.1	177.7	0	0	0	0	107.6	Q115 H119	Q115-V117 PolarHBondContact O-N 3.06Å; V117-H119 PolarHBondContact O-N 3.31Å
118	M	76.1	Confident	64.2	Low	113 Å²	113	131.3 Å²	131.3	56%	0.557	66%	0.663	S	S	*	*			trans	-68.6	125.1	178.2	-76.9	-94.3	143.5	0	0	109	P116 D122	P116-M118 PolarHBondContact O-N 3.22Å; M118-D122 HydrophobicContact SD-CB 3.66Å
119	H	83.9	Confident	66.2	Low	127 Å²	127	131.7 Å²	131.7	59%	0.588	66%	0.655	S	S	*	*			trans	-84.4	158.9	171.7	-71.5	-69.2	0	0	0	110.5	V117 R121 D122 L123	V117-H119 PolarHBondContact O-N 3.31Å; H119-R121 PolarHBondContact O-N 3.47Å; H119-R121 VanDerWaalsContact O-N 3.07Å; H119-D122 PolarHBondContact N-OD2 2.95Å; H119-D122 WeakPolarHBondContact O-CA 3.21Å; H119-D122 WeakPolarHBondContact O-CB 3.18Å; H119-D122 PolarHBondContact O-N 2.65Å; H119-L123 PolarHBondContact O-N 2.87Å
120	L	81.5	Confident	68	Low	123 Å²	123	131.6 Å²	131.6	64%	0.644	64%	0.643	S	S	*	*	H	α-helix	trans	-53.5	-32.2	178.5	-168.4	139.7	0	0	0	112.6	L123 E124	L120-L123 PolarHBondContact O-N 3.03Å; L120-E124 HydrophobicContact CD2-CG 4.41Å; L120-E124 VanDerWaalsContact CD2-OE1 3.25Å; L120-E124 WeakPolarHBondContact CD2-OE1 3.25Å; L120-E124 WeakPolarHBondContact O-CG 3.37Å; L120-E124 PolarHBondContact O-N 3.41Å
121	R	85.5	Confident	69.3	Low	200 Å²	200	125.6 Å²	125.6	76%	0.755	63%	0.634	S	S	*	*	H	α-helix	trans	-67.6	-31.5	172.6	-72.5	-166.4	174.6	129.4	0.4	114.3	H119 R125	H119-R121 PolarHBondContact O-N 3.47Å; H119-R121 VanDerWaalsContact O-N 3.07Å; R121-R125 VanDerWaalsContact O-CB 3.3Å; R121-R125 WeakPolarHBondContact O-CB 3.19Å; R121-R125 PolarHBondContact O-N 3.3Å
122	D	89.3	Confident	70.3	Confident	62 Å²	62	127.9 Å²	127.9	33%	0.332	63%	0.629	S	S	.	*	H	α-helix	trans	-72.8	-37.7	176.7	-58	-37.3	0	0	0	110.2	M118 H119 R125 Q126	M118-D122 HydrophobicContact SD-CB 3.66Å; H119-D122 PolarHBondContact N-OD2 2.95Å; H119-D122 WeakPolarHBondContact O-CA 3.21Å; H119-D122 WeakPolarHBondContact O-CB 3.18Å; H119-D122 PolarHBondContact O-N 2.65Å; D122-R125 PolarHBondContact O-N 3.49Å; D122-Q126 WeakPolarHBondContact O-CB 3.48Å; D122-Q126 PolarHBondContact O-N 3.47Å
123	L	83.5	Confident	70.5	Confident	98 Å²	98	127.7 Å²	127.7	51%	0.513	63%	0.629	S	S	.	*	H	α-helix	trans	-62.7	-45.1	171.1	-67.3	-178.6	0	0	0	111.8	H119 L120 R125 Q126 R127	H119-L123 PolarHBondContact O-N 2.87Å; L120-L123 PolarHBondContact O-N 3.03Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 2.98Å; L123-Q126 PolarHBondContact O-N 3.04Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 PolarHBondContact O-N 3.31Å
124	E	82.1	Confident	70.4	Confident	103 Å²	103	126.4 Å²	126.4	48%	0.481	62%	0.624	S	S	.	*	H	α-helix	trans	-62	-40.6	174.7	-72.1	172.4	169.6	0	0	111.8	L120 R127 L128	L120-E124 HydrophobicContact CD2-CG 4.41Å; L120-E124 VanDerWaalsContact CD2-OE1 3.25Å; L120-E124 WeakPolarHBondContact CD2-OE1 3.25Å; L120-E124 WeakPolarHBondContact O-CG 3.37Å; L120-E124 PolarHBondContact O-N 3.41Å; E124-R127 PolarHBondContact O-N 3.21Å; E124-L128 WeakPolarHBondContact O-CB 3.32Å; E124-L128 WeakPolarHBondContact O-CG 3Å; E124-L128 PolarHBondContact O-N 2.86Å
125	R	84.2	Confident	70.3	Confident	167 Å²	167	126.5 Å²	126.5	63%	0.63	63%	0.628	S	S	*	*	H	α-helix	trans	-65.4	-39.9	175.4	-175.8	-177.3	-96.8	-84	4.2	112	R121 D122 L123 R127 L128 L129	R121-R125 VanDerWaalsContact O-CB 3.3Å; R121-R125 WeakPolarHBondContact O-CB 3.19Å; R121-R125 PolarHBondContact O-N 3.3Å; D122-R125 PolarHBondContact O-N 3.49Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 2.98Å; R125-R127 VanDerWaalsContact C-N 3.34Å; R125-L128 PolarHBondContact O-N 3.27Å; R125-L129 HydrophobicContact CG-CD1 3.96Å; R125-L129 VanDerWaalsContact O-CB 3.32Å; R125-L129 WeakPolarHBondContact O-CB 3.44Å; R125-L129 WeakPolarHBondContact O-CG 3.31Å; R125-L129 PolarHBondContact O-N 3.5Å
126	Q	80	Confident	69.7	Low	120 Å²	120	124 Å²	124	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-68.3	-36.2	176.1	-160.4	178.8	10.4	0	0	111.1	D122 L123 L129 S130	D122-Q126 WeakPolarHBondContact O-CB 3.48Å; D122-Q126 PolarHBondContact O-N 3.47Å; L123-Q126 PolarHBondContact O-N 3.04Å; Q126-L129 PolarHBondContact O-N 3.16Å; Q126-S130 WeakPolarHBondContact O-CB 3.34Å; Q126-S130 PolarHBondContact O-N 3.31Å; Q126-S130 PolarHBondContact O-OG 3.18Å
127	R	80.5	Confident	68.8	Low	184 Å²	184	126.5 Å²	126.5	69%	0.694	63%	0.634	S	S	*	*	H	α-helix	trans	-66.5	-38.9	173.5	-152.7	175.4	-172.6	-166.8	1.3	111.8	L123 E124 R125 S130	L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 PolarHBondContact O-N 3.31Å; E124-R127 PolarHBondContact O-N 3.21Å; R125-R127 VanDerWaalsContact C-N 3.34Å; R127-S130 PolarHBondContact O-OG 3.48Å; R127-S130 VanDerWaalsContact O-OG 3.11Å
128	L	74.6	Confident	66.9	Low	111 Å²	111	129.1 Å²	129.1	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-68.8	-39.7	172.1	-75	162.3	0	0	0	112.7	E124 R125 G131 F133	E124-L128 WeakPolarHBondContact O-CB 3.32Å; E124-L128 WeakPolarHBondContact O-CG 3Å; E124-L128 PolarHBondContact O-N 2.86Å; R125-L128 PolarHBondContact O-N 3.27Å; L128-G131 PolarHBondContact O-N 2.84Å; L128-F133 HydrophobicContact CD2-CD2 3.99Å; L128-F133 HydrophobicContact CD2-CE2 4.36Å
129	L	75	Confident	64.9	Low	134 Å²	134	130.3 Å²	130.3	70%	0.702	65%	0.647	S	S	*	*	H	α-helix	trans	-70	-35.9	178.4	-86.6	159.7	0	0	0	113.4	R125 Q126 G131	R125-L129 HydrophobicContact CG-CD1 3.96Å; R125-L129 VanDerWaalsContact O-CB 3.32Å; R125-L129 WeakPolarHBondContact O-CB 3.44Å; R125-L129 WeakPolarHBondContact O-CG 3.31Å; R125-L129 PolarHBondContact O-N 3.5Å; Q126-L129 PolarHBondContact O-N 3.16Å; L129-G131 PolarHBondContact O-N 2.88Å
130	S	73	Confident	62.6	Low	68 Å²	68	130 Å²	130	48%	0.476	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	0	177.1	59.2	0	0	0	0	113.2	Q126 R127 K132	Q126-S130 WeakPolarHBondContact O-CB 3.34Å; Q126-S130 PolarHBondContact O-N 3.31Å; Q126-S130 PolarHBondContact O-OG 3.18Å; R127-S130 PolarHBondContact O-OG 3.48Å; R127-S130 VanDerWaalsContact O-OG 3.11Å; S130-K132 PolarHBondContact O-N 3.07Å
131	G	63.6	Low	60.4	Low	61 Å²	61	133.2 Å²	133.2	63%	0.629	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.4	2.7	175.1	0	0	0	0	0	114.5	L128 L129 F133	L128-G131 PolarHBondContact O-N 2.84Å; L129-G131 PolarHBondContact O-N 2.88Å; G131-F133 PolarHBondContact O-N 2.89Å
132	K	59.8	Low	58.2	Low	169 Å²	169	131.9 Å²	131.9	74%	0.735	67%	0.668	S	S	*	*			trans	-82.4	68.7	177.2	-67.4	-175.8	178.9	-177.5	0	109.7	S130	S130-K132 PolarHBondContact O-N 3.07Å
133	F	45.2	Very low	55.6	Low	166 Å²	166	132.1 Å²	132.1	73%	0.728	69%	0.685	S	S	*	*			trans	-123.7	68.1	176.1	-167.5	-91.9	0	0	0	110.5	L128 G131	L128-F133 HydrophobicContact CD2-CD2 3.99Å; L128-F133 HydrophobicContact CD2-CE2 4.36Å; G131-F133 PolarHBondContact O-N 2.89Å
134	S	43.3	Very low	53.6	Low	87 Å²	87	135.2 Å²	135.2	61%	0.608	70%	0.702	S	S	*	*			trans	-174.9	143.3	150.2	54.1	0	0	0	0	109	S136	S134-S136 PolarHBondContact O-N 3.26Å; S134-S136 PolarHBondContact OG-O 2.87Å
135	E	39.6	Very low	51.9	Low	209 Å²	209	138.9 Å²	138.9	98%	0.977	72%	0.72	S	S	*	*	S	Bend	trans	-82.7	20.8	170.3	-166.4	170.1	174.8	0	0	111.2
136	S	36.6	Very low	50.4	Low	87 Å²	87	139.8 Å²	139.8	61%	0.608	73%	0.728	S	S	*	*			trans	-154.9	93.4	-179.1	-153.9	0	0	0	0	105.9	S134	S134-S136 PolarHBondContact O-N 3.26Å; S134-S136 PolarHBondContact OG-O 2.87Å
137	D	33.4	Very low	48.9	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	74%	0.742	S	S	*	*			trans	-170.1	111.7	134.3	-86.4	-23	0	0	0	107.9
138	E	34.1	Very low	48.2	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	72%	0.722	S	S	*	*			trans	-54.1	147.8	156.1	-65.8	174.1	149.4	0	0	109
139	D	34.4	Very low	48.5	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	72%	0.721	S	S	*	*			trans	68	90.9	154.6	-49.2	-25.2	0	0	0	118
140	T	36.4	Very low	48.9	Very low	121 Å²	121	136 Å²	136	74%	0.742	72%	0.718	S	S	*	*			trans	-135.5	76.8	144	-55.7	0	0	0	0	109.7	Q142	T140-Q142 HydrophobicContact CG2-CG 3.83Å; T140-Q142 PolarHBondContact O-N 3.28Å
141	E	34.8	Very low	49.5	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.883	72%	0.723	S	S	*	*			trans	-59.5	109.4	153.1	-66.4	-169.3	160.1	0	0	108.5
142	Q	39	Very low	50.4	Low	172 Å²	172	139 Å²	139	80%	0.804	72%	0.715	S	S	*	*			trans	-128.2	91.4	161.3	-75.8	-171.4	6.5	0	0	109.4	T140	T140-Q142 HydrophobicContact CG2-CG 3.83Å; T140-Q142 PolarHBondContact O-N 3.28Å
143	G	34.3	Very low	51.3	Low	67 Å²	67	136.2 Å²	136.2	69%	0.691	70%	0.703	S	S	*	*			trans	-57.4	144.4	169.2	0	0	0	0	0	112.5
144	N	41	Very low	53.3	Low	163 Å²	163	132.3 Å²	132.3	87%	0.872	69%	0.687	S	S	*	*			trans	-136.2	64.2	159.4	-114.9	-24.8	0	0	0	106.8	K146	N144-K146 PolarHBondContact O-N 2.84Å; N144-K146 VanDerWaalsContact O-N 3.09Å
145	E	47.7	Very low	55.2	Low	180 Å²	180	135.1 Å²	135.1	84%	0.841	69%	0.688	S	S	*	*			trans	-68	104.2	175.6	-68.6	-171.2	165.9	0	0	109.1	N147	E145-N147 PolarHBondContact O-N 2.71Å
146	K	51.5	Low	57.2	Low	186 Å²	186	130.2 Å²	130.2	81%	0.809	67%	0.665	S	S	*	*			trans	-76	121.4	168.7	-71.4	179.6	-178.5	174	0	108	N144 M148	N144-K146 PolarHBondContact O-N 2.84Å; N144-K146 VanDerWaalsContact O-N 3.09Å; K146-M148 VanDerWaalsContact C-N 3.28Å; K146-M148 PolarHBondContact O-N 3Å
147	N	50	Low	59.3	Low	159 Å²	159	130.3 Å²	130.3	85%	0.85	66%	0.658	S	S	*	*			trans	-65.2	81.2	-179	-64.6	-3.3	0	0	0	111.7	E145	E145-N147 PolarHBondContact O-N 2.71Å
148	M	65.5	Low	61.8	Low	57 Å²	57	127 Å²	127	28%	0.281	64%	0.642	S	S	.	*			trans	-76.5	141.6	171.6	-74.2	-81.3	-87.7	0	0	110.6	K146 Q152 K153 E156	K146-M148 VanDerWaalsContact C-N 3.28Å; K146-M148 PolarHBondContact O-N 3Å; M148-Q152 HydrophobicContact CB-CB 4.23Å; M148-Q152 HydrophobicContact CE-CB 3.62Å; M148-Q152 HydrophobicContact CE-CG 3.86Å; M148-Q152 HydrophobicContact SD-CB 4.01Å; M148-Q152 VanDerWaalsContact SD-CD 3.53Å; M148-Q152 HydrophobicContact SD-CG 4.1Å; M148-K153 HydrophobicContact CB-CG 4.01Å; M148-K153 VanDerWaalsContact O-CE 3.3Å; M148-K153 WeakPolarHBondContact O-CE 3.4Å; M148-E156 HydrophobicContact CE-CG 3.91Å; M148-E156 WeakPolarHBondContact CE-OE1 3.39Å; M148-E156 WeakPolarHBondContact CE-OE2 3.44Å
149	T	79.3	Confident	63.9	Low	92 Å²	92	122.6 Å²	122.6	56%	0.564	63%	0.625	S	S	*	*			trans	-66.8	154.2	178.1	-47.4	0	0	0	0	110.3	V151 Q152 K153	T149-V151 VanDerWaalsContact C-N 3.29Å; T149-V151 PolarHBondContact O-N 2.97Å; T149-Q152 CarbonylContact O-C 3.28Å; T149-Q152 WeakPolarHBondContact O-CA 3.33Å; T149-Q152 VanDerWaalsContact O-CB 3.29Å; T149-Q152 WeakPolarHBondContact O-CB 3.29Å; T149-Q152 PolarHBondContact O-N 2.96Å; T149-Q152 PolarHBondContact OG1-OE1 2.95Å; T149-K153 PolarHBondContact O-N 3.4Å
150	Y	85	Confident	66	Low	161 Å²	161	118.8 Å²	118.8	63%	0.631	61%	0.609	S	S	*	*	H	α-helix	trans	-51.1	-43	177.8	178.3	-102	0	0	0	113.9	Q152 K153 Q154	Y150-Q152 VanDerWaalsContact C-N 3.34Å; Y150-Q152 PolarHBondContact O-N 3.47Å; Y150-K153 WeakPolarHBondContact O-CB 3.46Å; Y150-K153 PolarHBondContact O-N 2.95Å; Y150-Q154 HydrophobicContact CD1-CG 4.34Å; Y150-Q154 HydrophobicContact CE1-CG 3.93Å; Y150-Q154 VanDerWaalsContact CE1-NE2 3.28Å; Y150-Q154 HydrophobicContact CE2-CG 4.39Å; Y150-Q154 VanDerWaalsContact CZ-NE2 3.32Å; Y150-Q154 WeakPolarHBondContact O-CG 3.38Å; Y150-Q154 PolarHBondContact O-N 3.38Å; Y150-Q154 PolarHBondContact OH-NE2 3.16Å
151	V	84.7	Confident	67.9	Low	97 Å²	97	119.1 Å²	119.1	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-66.6	-36.9	177.1	178.9	0	0	0	0	111.8	T149 Q154 K155	T149-V151 VanDerWaalsContact C-N 3.29Å; T149-V151 PolarHBondContact O-N 2.97Å; V151-Q154 PolarHBondContact O-N 3.05Å; V151-K155 PolarHBondContact O-N 3.25Å
152	Q	83.2	Confident	69.9	Low	96 Å²	96	117.4 Å²	117.4	45%	0.449	59%	0.592	S	S	.	*	H	α-helix	trans	-65.6	-41.5	173.5	-99.6	173.1	-27.5	0	0	111.2	M148 T149 Y150 K155 E156	M148-Q152 HydrophobicContact CB-CB 4.23Å; M148-Q152 HydrophobicContact CE-CB 3.62Å; M148-Q152 HydrophobicContact CE-CG 3.86Å; M148-Q152 HydrophobicContact SD-CB 4.01Å; M148-Q152 VanDerWaalsContact SD-CD 3.53Å; M148-Q152 HydrophobicContact SD-CG 4.1Å; T149-Q152 CarbonylContact O-C 3.28Å; T149-Q152 WeakPolarHBondContact O-CA 3.33Å; T149-Q152 VanDerWaalsContact O-CB 3.29Å; T149-Q152 WeakPolarHBondContact O-CB 3.29Å; T149-Q152 PolarHBondContact O-N 2.96Å; T149-Q152 PolarHBondContact OG1-OE1 2.95Å; Y150-Q152 VanDerWaalsContact C-N 3.34Å; Y150-Q152 PolarHBondContact O-N 3.47Å; Q152-K155 PolarHBondContact O-N 3.35Å; Q152-E156 WeakPolarHBondContact O-CB 3.35Å; Q152-E156 PolarHBondContact O-N 3.3Å
153	K	78.1	Confident	71.4	Confident	111 Å²	111	114.9 Å²	114.9	48%	0.483	58%	0.584	S	S	.	*	H	α-helix	trans	-62.6	-41.4	172.9	-67.9	-176.5	175.8	-172.3	0	111.8	M148 T149 Y150 E156 I157	M148-K153 HydrophobicContact CB-CG 4.01Å; M148-K153 VanDerWaalsContact O-CE 3.3Å; M148-K153 WeakPolarHBondContact O-CE 3.4Å; T149-K153 PolarHBondContact O-N 3.4Å; Y150-K153 WeakPolarHBondContact O-CB 3.46Å; Y150-K153 PolarHBondContact O-N 2.95Å; K153-E156 PolarHBondContact O-N 3.25Å; K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 WeakPolarHBondContact O-CD1 3.25Å; K153-I157 WeakPolarHBondContact O-CG1 3.3Å; K153-I157 PolarHBondContact O-N 3.45Å
154	Q	86.6	Confident	73	Confident	84 Å²	84	116.2 Å²	116.2	39%	0.393	58%	0.575	S	S	.	*	H	α-helix	trans	-64.2	-41.5	175.8	-75.4	-173.5	-42.2	0	0	112.3	Y150 V151 I157 V158	Y150-Q154 HydrophobicContact CD1-CG 4.34Å; Y150-Q154 HydrophobicContact CE1-CG 3.93Å; Y150-Q154 VanDerWaalsContact CE1-NE2 3.28Å; Y150-Q154 HydrophobicContact CE2-CG 4.39Å; Y150-Q154 VanDerWaalsContact CZ-NE2 3.32Å; Y150-Q154 WeakPolarHBondContact O-CG 3.38Å; Y150-Q154 PolarHBondContact O-N 3.38Å; Y150-Q154 PolarHBondContact OH-NE2 3.16Å; V151-Q154 PolarHBondContact O-N 3.05Å; Q154-I157 PolarHBondContact O-N 3.29Å; Q154-V158 VanDerWaalsContact O-CG2 3.23Å; Q154-V158 WeakPolarHBondContact O-CG2 3.29Å; Q154-V158 PolarHBondContact O-N 3.06Å
155	K	83.6	Confident	73.9	Confident	146 Å²	146	113.7 Å²	113.7	64%	0.635	57%	0.567	S	S	*	*	H	α-helix	trans	-66.5	-43.8	174.2	-109.3	-173.8	174.9	-172.6	0	112	V151 Q152 I157 V158 D159	V151-K155 PolarHBondContact O-N 3.25Å; Q152-K155 PolarHBondContact O-N 3.35Å; K155-I157 VanDerWaalsContact C-N 3.25Å; K155-I157 PolarHBondContact O-N 2.76Å; K155-V158 PolarHBondContact O-N 2.84Å; K155-D159 VanDerWaalsContact O-CB 3.29Å; K155-D159 WeakPolarHBondContact O-CB 3.38Å; K155-D159 VanDerWaalsContact O-CG 3.22Å; K155-D159 PolarHBondContact O-N 2.88Å
156	E	82.6	Confident	74.3	Confident	105 Å²	105	111.1 Å²	111.1	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-58.7	-38.7	172.5	-90.5	-177.1	150.8	0	0	111.7	M148 Q152 K153 S160	M148-E156 HydrophobicContact CE-CG 3.91Å; M148-E156 WeakPolarHBondContact CE-OE1 3.39Å; M148-E156 WeakPolarHBondContact CE-OE2 3.44Å; Q152-E156 WeakPolarHBondContact O-CB 3.35Å; Q152-E156 PolarHBondContact O-N 3.3Å; K153-E156 PolarHBondContact O-N 3.25Å; E156-S160 WeakPolarHBondContact O-CA 3.14Å; E156-S160 WeakPolarHBondContact O-CB 3.38Å; E156-S160 PolarHBondContact O-N 2.93Å; E156-S160 PolarHBondContact O-OG 2.88Å
157	I	80.4	Confident	74.1	Confident	90 Å²	90	107.9 Å²	107.9	46%	0.462	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-48.4	175.3	-71.5	162.2	0	0	0	110.2	K153 Q154 K155 S160 F161	K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 WeakPolarHBondContact O-CD1 3.25Å; K153-I157 WeakPolarHBondContact O-CG1 3.3Å; K153-I157 PolarHBondContact O-N 3.45Å; Q154-I157 PolarHBondContact O-N 3.29Å; K155-I157 VanDerWaalsContact C-N 3.25Å; K155-I157 PolarHBondContact O-N 2.76Å; I157-S160 WeakPolarHBondContact CA-OG 3.28Å; I157-S160 PolarHBondContact O-N 2.81Å; I157-S160 PolarHBondContact O-OG 3.07Å; I157-F161 HydrophobicContact CG2-CD2 3.65Å; I157-F161 HydrophobicContact CG2-CE2 3.34Å; I157-F161 HydrophobicContact CG2-CZ 4.48Å; I157-F161 WeakPolarHBondContact O-CD2 3.41Å; I157-F161 PolarHBondContact O-N 3.17Å
158	V	84.9	Confident	74.3	Confident	78 Å²	78	106.5 Å²	106.5	47%	0.473	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-47.8	178.6	174.2	0	0	0	0	111.4	Q154 K155 S160 F161 Q162	Q154-V158 VanDerWaalsContact O-CG2 3.23Å; Q154-V158 WeakPolarHBondContact O-CG2 3.29Å; Q154-V158 PolarHBondContact O-N 3.06Å; K155-V158 PolarHBondContact O-N 2.84Å; V158-S160 PolarHBondContact O-N 3.18Å; V158-F161 PolarHBondContact O-N 2.74Å; V158-Q162 WeakPolarHBondContact O-CB 3.49Å; V158-Q162 PolarHBondContact O-N 3.32Å
159	D	79.1	Confident	73.7	Confident	81 Å²	81	110.6 Å²	110.6	43%	0.433	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-32.2	177.3	-66.6	-19.7	0	0	0	110.6	K155 Q162 N163	K155-D159 VanDerWaalsContact O-CB 3.29Å; K155-D159 WeakPolarHBondContact O-CB 3.38Å; K155-D159 VanDerWaalsContact O-CG 3.22Å; K155-D159 PolarHBondContact O-N 2.88Å; D159-Q162 PolarHBondContact O-N 3.2Å; D159-N163 WeakPolarHBondContact O-CB 3.42Å; D159-N163 PolarHBondContact O-N 3.15Å; D159-N163 PolarHBondContact O-ND2 3.03Å
160	S	78.5	Confident	72.2	Confident	60 Å²	60	112 Å²	112	42%	0.42	57%	0.565	S	S	.	*	H	α-helix	trans	-68.8	-42.5	173.3	74.9	0	0	0	0	111.6	E156 I157 V158 Q162 N163 I164	E156-S160 WeakPolarHBondContact O-CA 3.14Å; E156-S160 WeakPolarHBondContact O-CB 3.38Å; E156-S160 PolarHBondContact O-N 2.93Å; E156-S160 PolarHBondContact O-OG 2.88Å; I157-S160 WeakPolarHBondContact CA-OG 3.28Å; I157-S160 PolarHBondContact O-N 2.81Å; I157-S160 PolarHBondContact O-OG 3.07Å; V158-S160 PolarHBondContact O-N 3.18Å; S160-Q162 VanDerWaalsContact C-N 3.26Å; S160-Q162 PolarHBondContact O-N 3.36Å; S160-N163 CarbonylContact O-C 3.58Å; S160-N163 PolarHBondContact O-N 2.78Å; S160-I164 WeakPolarHBondContact O-CG1 3.23Å; S160-I164 PolarHBondContact O-N 3.02Å
161	F	75.5	Confident	70.9	Confident	128 Å²	128	113.8 Å²	113.8	56%	0.561	58%	0.579	S	S	*	*	H	α-helix	trans	-63.4	-33.8	174.9	-80.7	-64.8	0	0	0	112.2	I157 V158 I164 F175	I157-F161 HydrophobicContact CG2-CD2 3.65Å; I157-F161 HydrophobicContact CG2-CE2 3.34Å; I157-F161 HydrophobicContact CG2-CZ 4.48Å; I157-F161 WeakPolarHBondContact O-CD2 3.41Å; I157-F161 PolarHBondContact O-N 3.17Å; V158-F161 PolarHBondContact O-N 2.74Å; F161-I164 HydrophobicContact CD1-CD1 4.26Å; F161-F175 HydrophobicContact CD1-CE2 4.23Å; F161-F175 HydrophobicContact CD1-CZ 4.5Å; F161-F175 HydrophobicContact CE1-CE2 4.29Å; F161-F175 HydrophobicContact CE1-CZ 4.5Å
162	Q	78.3	Confident	69.5	Low	152 Å²	152	118.3 Å²	118.3	71%	0.71	59%	0.593	S	S	*	*	H	α-helix	trans	-81.8	-29.1	-179.2	-158.6	149	2.1	0	0	112.6	V158 D159 S160	V158-Q162 WeakPolarHBondContact O-CB 3.49Å; V158-Q162 PolarHBondContact O-N 3.32Å; D159-Q162 PolarHBondContact O-N 3.2Å; S160-Q162 VanDerWaalsContact C-N 3.26Å; S160-Q162 PolarHBondContact O-N 3.36Å
163	N	69.9	Low	68.2	Low	119 Å²	119	115.9 Å²	115.9	64%	0.636	60%	0.595	S	S	*	*	S	Bend	trans	-104.8	13.4	-179.7	-69.1	-40.2	0	0	0	114.1	D159 S160 P165	D159-N163 WeakPolarHBondContact O-CB 3.42Å; D159-N163 PolarHBondContact O-N 3.15Å; D159-N163 PolarHBondContact O-ND2 3.03Å; S160-N163 CarbonylContact O-C 3.58Å; S160-N163 PolarHBondContact O-N 2.78Å; N163-P165 WeakPolarHBondContact O-CD 3.44Å
164	I	67.6	Low	67.5	Low	95 Å²	95	118 Å²	118	49%	0.487	61%	0.611	S	S	.	*			trans	-55.2	110.6	173.5	-56.5	-171.8	0	0	0	106.8	S160 F161 F166	S160-I164 WeakPolarHBondContact O-CG1 3.23Å; S160-I164 PolarHBondContact O-N 3.02Å; F161-I164 HydrophobicContact CD1-CD1 4.26Å; I164-F166 PolarHBondContact O-N 3.18Å
165	P	59.6	Low	66.1	Low	110 Å²	110	120.3 Å²	120.3	71%	0.714	62%	0.619	S	S	*	*			trans	-65.7	121.1	173.6	-14.3	31.8	0	0	0	105.5	N163 D167	N163-P165 WeakPolarHBondContact O-CD 3.44Å; P165-D167 VanDerWaalsContact C-N 3.34Å; P165-D167 PolarHBondContact O-N 2.96Å
166	F	56.1	Low	65.3	Low	127 Å²	127	122.1 Å²	122.1	56%	0.557	63%	0.627	S	S	*	*			trans	-62.3	100.5	172.4	-174.9	-105.7	0	0	0	107.1	I164 D168 V177	I164-F166 PolarHBondContact O-N 3.18Å; F166-D168 WeakPolarHBondContact CE1-OD1 3.39Å; F166-V177 HydrophobicContact CD2-CG2 4.34Å; F166-V177 HydrophobicContact CE2-CG2 4.14Å
167	D	48.2	Very low	64.6	Low	118 Å²	118	122 Å²	122	63%	0.631	63%	0.634	S	S	*	*			trans	-94.4	111.7	176.6	-139.5	-3.5	0	0	0	106.7	P165 D169	P165-D167 VanDerWaalsContact C-N 3.34Å; P165-D167 PolarHBondContact O-N 2.96Å; D167-D169 PolarHBondContact O-N 3.36Å; D167-D169 VanDerWaalsContact O-N 3.13Å
168	D	53.1	Low	63.9	Low	130 Å²	130	125.9 Å²	125.9	70%	0.695	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-6	-173.1	-84.6	-49.3	0	0	0	113.5	F166	F166-D168 WeakPolarHBondContact CE1-OD1 3.39Å
169	D	54.3	Low	63.3	Low	143 Å²	143	130.1 Å²	130.1	77%	0.765	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-2.4	-168.7	-78.7	-29.4	0	0	0	115.1	D167	D167-D169 PolarHBondContact O-N 3.36Å; D167-D169 VanDerWaalsContact O-N 3.13Å
170	D	46.7	Very low	63	Low	120 Å²	120	131.7 Å²	131.7	64%	0.642	67%	0.665	S	S	*	*			trans	-111.5	102.2	179.1	-71.3	-34.9	0	0	0	112.2	E172 G173	D170-E172 PolarHBondContact O-N 3.39Å; D170-G173 PolarHBondContact O-N 2.98Å
171	E	58.1	Low	63	Low	199 Å²	199	132.7 Å²	132.7	93%	0.93	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-1.5	177.8	-71	-172	162.1	0	0	114.7
172	E	55.7	Low	63	Low	192 Å²	192	133.5 Å²	133.5	90%	0.897	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	13.9	-179.1	-60.6	-169.6	177.1	0	0	114.5	D170 L174	D170-E172 PolarHBondContact O-N 3.39Å; E172-L174 PolarHBondContact O-N 3.5Å
173	G	55.8	Low	63.1	Low	46 Å²	46	131.1 Å²	131.1	47%	0.474	67%	0.669	S	S	.	*			trans	-63	123.4	176.2	0	0	0	0	0	114.3	D170 F175	D170-G173 PolarHBondContact O-N 2.98Å; G173-F175 PolarHBondContact O-N 2.76Å
174	L	63.8	Low	63.4	Low	156 Å²	156	129.3 Å²	129.3	82%	0.817	66%	0.658	S	S	*	*	S	Bend	trans	-62.6	-21	-179.2	-176.7	62.8	0	0	0	114.4	E172	E172-L174 PolarHBondContact O-N 3.5Å
175	F	56.9	Low	63.9	Low	131 Å²	131	129.9 Å²	129.9	58%	0.575	66%	0.657	S	S	*	*			trans	-117.8	118	179.4	-62.4	-72.3	0	0	0	110.6	F161 G173	F161-F175 HydrophobicContact CD1-CE2 4.23Å; F161-F175 HydrophobicContact CD1-CZ 4.5Å; F161-F175 HydrophobicContact CE1-CE2 4.29Å; F161-F175 HydrophobicContact CE1-CZ 4.5Å; G173-F175 PolarHBondContact O-N 2.76Å
176	K	67.2	Low	65	Low	185 Å²	185	131.5 Å²	131.5	80%	0.804	65%	0.653	S	S	*	*			trans	-102.7	130.4	166.4	-63.9	-172.8	178.5	-169.9	0	108.6	K178	K176-K178 PolarHBondContact O-N 3.38Å
177	V	66.3	Low	66	Low	103 Å²	103	128.2 Å²	128.2	62%	0.624	65%	0.645	S	S	*	*			trans	-57.8	129	167.3	177.4	0	0	0	0	106.9	F166 E179	F166-V177 HydrophobicContact CD2-CG2 4.34Å; F166-V177 HydrophobicContact CE2-CG2 4.14Å; V177-E179 VanDerWaalsContact C-N 3.34Å; V177-E179 PolarHBondContact O-N 3.23Å
178	K	66.9	Low	67.5	Low	170 Å²	170	126.3 Å²	126.3	74%	0.739	63%	0.632	S	S	*	*			trans	-65.1	100.3	173	-178.2	176.8	174.2	177.6	0	107.6	K176 K180	K176-K178 PolarHBondContact O-N 3.38Å; K178-K180 PolarHBondContact O-N 2.89Å
179	E	71.4	Confident	68.7	Low	168 Å²	168	122.5 Å²	122.5	79%	0.785	61%	0.611	S	S	*	*			trans	-59.7	126.8	170.3	-68.7	-178.3	175.8	0	0	108.4	V177 T181	V177-E179 VanDerWaalsContact C-N 3.34Å; V177-E179 PolarHBondContact O-N 3.23Å; E179-T181 PolarHBondContact O-N 3.25Å
180	K	73.4	Confident	70	Confident	113 Å²	113	118.2 Å²	118.2	49%	0.491	60%	0.595	S	S	.	*			trans	-66.5	109.9	172.3	-66.5	-171.3	178.6	-163.4	0	107.3	K178 K185 E188	K178-K180 PolarHBondContact O-N 2.89Å; K180-K185 HydrophobicContact CB-CG 4.03Å; K180-K185 WeakPolarHBondContact O-CE 3.42Å; K180-E188 WeakPolarHBondContact CE-OE1 3.29Å; K180-E188 IonicContact NZ-OE1 2.82Å; K180-E188 PolarHBondContact NZ-OE1 3.19Å; K180-E188 IonicContact NZ-OE2 3.39Å; K180-E188 PolarHBondContact NZ-OE2 2.93Å
181	T	77.8	Confident	71.7	Confident	82 Å²	82	116.4 Å²	116.4	50%	0.503	59%	0.585	S	S	.	*			trans	-59.1	152.8	172	60.7	0	0	0	0	109.6	E179 V183 M184 K185	E179-T181 PolarHBondContact O-N 3.25Å; T181-V183 PolarHBondContact O-N 3.12Å; T181-V183 VanDerWaalsContact O-N 3.15Å; T181-M184 WeakPolarHBondContact O-CB 3.4Å; T181-M184 PolarHBondContact O-N 3.05Å; T181-M184 VanDerWaalsContact OG1-CG 3.25Å; T181-M184 WeakPolarHBondContact OG1-CG 3.48Å; T181-M184 PolarHBondContact OG1-N 3.15Å; T181-K185 PolarHBondContact O-N 3.06Å
182	E	76.7	Confident	72.9	Confident	145 Å²	145	107.6 Å²	107.6	68%	0.678	54%	0.544	S	S	*	.	H	α-helix	trans	-55.4	-33.8	178.1	-63.2	-178.6	170.9	0	0	112.3	K185 K186	E182-K185 PolarHBondContact O-N 2.92Å; E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 2.92Å
183	V	79.1	Confident	74.3	Confident	101 Å²	101	100.9 Å²	100.9	61%	0.612	51%	0.514	S	S	*	.	H	α-helix	trans	-61.5	-47.7	174.3	-179.5	0	0	0	0	110.8	T181 K185 K186 C187	T181-V183 PolarHBondContact O-N 3.12Å; T181-V183 VanDerWaalsContact O-N 3.15Å; V183-K185 VanDerWaalsContact C-N 3.32Å; V183-K185 PolarHBondContact O-N 3.27Å; V183-K186 PolarHBondContact O-N 3.39Å; V183-C187 PolarHBondContact O-N 2.96Å; V183-C187 PolarHBondContact O-SG 3.06Å
184	M	76	Confident	75.6	Confident	82 Å²	82	102.7 Å²	102.7	40%	0.404	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-37.8	178.3	-67.1	-70.7	-61.1	0	0	111.8	T181 C187 E188	T181-M184 WeakPolarHBondContact O-CB 3.4Å; T181-M184 PolarHBondContact O-N 3.05Å; T181-M184 VanDerWaalsContact OG1-CG 3.25Å; T181-M184 WeakPolarHBondContact OG1-CG 3.48Å; T181-M184 PolarHBondContact OG1-N 3.15Å; M184-C187 PolarHBondContact O-N 3.28Å; M184-E188 WeakPolarHBondContact O-CG 3.25Å; M184-E188 PolarHBondContact O-N 2.98Å
185	K	80.1	Confident	76.7	Confident	107 Å²	107	95.6 Å²	95.6	47%	0.465	47%	0.472	S	S	.	.	H	α-helix	trans	-63.1	-45.5	175.3	-65.5	179.9	-177.1	175	0	111.6	K180 T181 E182 V183 C187 E188 E189	K180-K185 HydrophobicContact CB-CG 4.03Å; K180-K185 WeakPolarHBondContact O-CE 3.42Å; T181-K185 PolarHBondContact O-N 3.06Å; E182-K185 PolarHBondContact O-N 2.92Å; V183-K185 VanDerWaalsContact C-N 3.32Å; V183-K185 PolarHBondContact O-N 3.27Å; K185-C187 VanDerWaalsContact C-N 3.34Å; K185-C187 PolarHBondContact O-N 3.47Å; K185-E188 PolarHBondContact O-N 3.42Å; K185-E189 WeakPolarHBondContact O-CG 3.04Å; K185-E189 PolarHBondContact O-N 3.36Å
186	K	80.7	Confident	78	Confident	143 Å²	143	89.3 Å²	89.3	62%	0.622	45%	0.445	S	S	*	.	H	α-helix	trans	-63.7	-37.5	176.5	-72.4	178.4	-179.9	179	0	112.3	E182 V183 E189 A190	E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 2.92Å; V183-K186 PolarHBondContact O-N 3.39Å; K186-E189 PolarHBondContact O-N 3.34Å; K186-A190 WeakPolarHBondContact O-CB 3.41Å; K186-A190 PolarHBondContact O-N 2.84Å
187	C	77.8	Confident	78.7	Confident	59 Å²	59	84 Å²	84	40%	0.399	42%	0.421	S	S	.	.	H	α-helix	trans	-65.2	-45.9	172.8	-66.4	0	0	0	0	111.7	V183 M184 K185 E189 A190 D191	V183-C187 PolarHBondContact O-N 2.96Å; V183-C187 PolarHBondContact O-SG 3.06Å; M184-C187 PolarHBondContact O-N 3.28Å; K185-C187 VanDerWaalsContact C-N 3.34Å; K185-C187 PolarHBondContact O-N 3.47Å; C187-E189 VanDerWaalsContact C-N 3.28Å; C187-E189 PolarHBondContact O-N 3.46Å; C187-A190 PolarHBondContact O-N 2.67Å; C187-D191 WeakPolarHBondContact O-CB 3.07Å; C187-D191 PolarHBondContact O-N 3.25Å
188	E	79	Confident	79.2	Confident	77 Å²	77	80.6 Å²	80.6	36%	0.36	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-35.4	176.2	-72.6	175.9	-177.4	0	0	112.5	K180 M184 K185 F192	K180-E188 WeakPolarHBondContact CE-OE1 3.29Å; K180-E188 IonicContact NZ-OE1 2.82Å; K180-E188 PolarHBondContact NZ-OE1 3.19Å; K180-E188 IonicContact NZ-OE2 3.39Å; K180-E188 PolarHBondContact NZ-OE2 2.93Å; M184-E188 WeakPolarHBondContact O-CG 3.25Å; M184-E188 PolarHBondContact O-N 2.98Å; K185-E188 PolarHBondContact O-N 3.42Å; E188-F192 VanDerWaalsContact O-CB 3.29Å; E188-F192 WeakPolarHBondContact O-CB 3.4Å; E188-F192 PolarHBondContact O-N 2.93Å
189	E	79.2	Confident	79.6	Confident	51 Å²	51	78 Å²	78	24%	0.238	40%	0.398	C	S	.	.	H	α-helix	trans	-68.9	-42.6	173.8	-74.8	176.9	-153.5	0	0	112.1	P68 K185 K186 C187 F192 I193 R237	P68-E189 HydrophobicContact CB-CG 4.48Å; P68-E189 WeakPolarHBondContact CG-OE1 3.34Å; K185-E189 WeakPolarHBondContact O-CG 3.04Å; K185-E189 PolarHBondContact O-N 3.36Å; K186-E189 PolarHBondContact O-N 3.34Å; C187-E189 VanDerWaalsContact C-N 3.28Å; C187-E189 PolarHBondContact O-N 3.46Å; E189-F192 WeakPolarHBondContact O-CB 3.34Å; E189-F192 PolarHBondContact O-N 3.41Å; E189-I193 VanDerWaalsContact O-CG1 3.29Å; E189-I193 WeakPolarHBondContact O-CG1 3.46Å; E189-I193 PolarHBondContact O-N 3.22Å; E189-R237 IonicContact OE2-NH2 3.3Å
190	A	81.8	Confident	79.6	Confident	52 Å²	52	71.3 Å²	71.3	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-45.4	175	0	0	0	0	0	111.4	K186 C187 F192 I193 E194	K186-A190 WeakPolarHBondContact O-CB 3.41Å; K186-A190 PolarHBondContact O-N 2.84Å; C187-A190 PolarHBondContact O-N 2.67Å; A190-F192 VanDerWaalsContact C-N 3.27Å; A190-F192 PolarHBondContact O-N 2.63Å; A190-I193 PolarHBondContact O-N 3.27Å; A190-I193 VanDerWaalsContact O-N 3.16Å; A190-E194 WeakPolarHBondContact O-CB 3.48Å; A190-E194 PolarHBondContact O-N 3.06Å
191	D	81.7	Confident	79.3	Confident	82 Å²	82	73.8 Å²	73.8	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-36.5	176.2	-65.1	-13.2	0	0	0	111.3	C187 W195	C187-D191 WeakPolarHBondContact O-CB 3.07Å; C187-D191 PolarHBondContact O-N 3.25Å; D191-W195 WeakPolarHBondContact O-CB 3.3Å; D191-W195 PolarHBondContact O-N 2.91Å
192	F	84.2	Confident	78.4	Confident	14 Å²	14	76.2 Å²	76.2	6%	0.061	39%	0.392	C	S	.	.	H	α-helix	trans	-66.1	-43.4	174.6	174.7	-96.4	0	0	0	112.1	K72 F75 E188 E189 A190 W195 L196 L211	K72-F192 HydrophobicContact CG-CE1 4.15Å; K72-F192 HydrophobicContact CG-CE2 4.37Å; K72-F192 HydrophobicContact CG-CZ 3.91Å; F75-F192 HydrophobicContact CD2-CE1 4.13Å; F75-F192 HydrophobicContact CD2-CZ 4.32Å; F75-F192 HydrophobicContact CE2-CE1 4.38Å; E188-F192 VanDerWaalsContact O-CB 3.29Å; E188-F192 WeakPolarHBondContact O-CB 3.4Å; E188-F192 PolarHBondContact O-N 2.93Å; E189-F192 WeakPolarHBondContact O-CB 3.34Å; E189-F192 PolarHBondContact O-N 3.41Å; A190-F192 VanDerWaalsContact C-N 3.27Å; A190-F192 PolarHBondContact O-N 2.63Å; F192-W195 PolarHBondContact O-N 2.93Å; F192-L196 HydrophobicContact CE1-CD2 4.39Å; F192-L196 HydrophobicContact CZ-CD2 4.45Å; F192-L196 WeakPolarHBondContact O-CB 3.34Å; F192-L196 PolarHBondContact O-N 2.81Å; F192-L211 HydrophobicContact CE2-CD1 3.47Å; F192-L211 VanDerWaalsContact CE2-CD1 3.47Å; F192-L211 HydrophobicContact CZ-CD1 3.65Å
193	I	83.9	Confident	77.5	Confident	52 Å²	52	70 Å²	70	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-47.8	176.9	-69.8	164.7	0	0	0	110.4	E189 A190 W195 L196 K197 L235	E189-I193 VanDerWaalsContact O-CG1 3.29Å; E189-I193 WeakPolarHBondContact O-CG1 3.46Å; E189-I193 PolarHBondContact O-N 3.22Å; A190-I193 PolarHBondContact O-N 3.27Å; A190-I193 VanDerWaalsContact O-N 3.16Å; I193-W195 VanDerWaalsContact C-N 3.32Å; I193-W195 PolarHBondContact O-N 3.11Å; I193-L196 PolarHBondContact O-N 2.75Å; I193-K197 WeakPolarHBondContact O-CB 3.45Å; I193-K197 PolarHBondContact O-N 3.06Å; I193-L235 HydrophobicContact CG2-CB 4.24Å; I193-L235 HydrophobicContact CG2-CD2 4.3Å
194	E	84	Confident	76.5	Confident	83 Å²	83	69.4 Å²	69.4	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-41.3	178.3	-170.6	-178.4	172.5	0	0	111.5	A190 K197 G198 E199	A190-E194 WeakPolarHBondContact O-CB 3.48Å; A190-E194 PolarHBondContact O-N 3.06Å; E194-K197 PolarHBondContact O-N 3.45Å; E194-G198 PolarHBondContact O-N 2.99Å; E194-E199 HydrophobicContact CG-CB 3.6Å; E194-E199 PolarHBondContact O-N 3.15Å
195	W	87.4	Confident	75.9	Confident	7 Å²	7	67 Å²	67	3%	0.027	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-42.6	175.5	177.6	77.3	0	0	0	112.5	D191 F192 I193 K197 G198 S200 C203 K208 L211 R215	D191-W195 WeakPolarHBondContact O-CB 3.3Å; D191-W195 PolarHBondContact O-N 2.91Å; F192-W195 PolarHBondContact O-N 2.93Å; I193-W195 VanDerWaalsContact C-N 3.32Å; I193-W195 PolarHBondContact O-N 3.11Å; W195-K197 VanDerWaalsContact C-N 3.31Å; W195-K197 PolarHBondContact O-N 3.28Å; W195-G198 PolarHBondContact O-N 3.1Å; W195-G198 VanDerWaalsContact O-N 3.12Å; W195-S200 VanDerWaalsContact CA-OG 3.3Å; W195-S200 WeakPolarHBondContact CA-OG 3.33Å; W195-S200 WeakPolarHBondContact CB-OG 3.49Å; W195-S200 VanDerWaalsContact CD1-O 3.25Å; W195-S200 PolarHBondContact N-OG 3.08Å; W195-C203 HydrophobicContact CB-CB 3.83Å; W195-C203 HydrophobicContact CD2-CB 3.6Å; W195-C203 HydrophobicContact CE3-CB 4.17Å; W195-C203 HydrophobicContact CG-CB 3.39Å; W195-K208 HydrophobicContact CH2-CB 4.25Å; W195-K208 HydrophobicContact CH2-CG 3.99Å; W195-K208 HydrophobicContact CZ2-CB 4.17Å; W195-K208 HydrophobicContact CZ2-CD 4.42Å; W195-K208 HydrophobicContact CZ2-CG 3.69Å; W195-L211 HydrophobicContact CH2-CB 3.89Å; W195-L211 HydrophobicContact CZ3-CB 3.82Å; W195-L211 HydrophobicContact CZ3-CD1 4.12Å; W195-R215 WeakPolarHBondContact O-CD 3.31Å
196	L	84.1	Confident	75.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-72.4	-26.2	-179.8	-164.5	64.5	0	0	0	112.3	F75 F192 I193 G198 L211 W218 L235	F75-L196 HydrophobicContact CD1-CD2 4.17Å; F75-L196 HydrophobicContact CD2-CD2 4.17Å; F75-L196 HydrophobicContact CE1-CD2 4.36Å; F75-L196 HydrophobicContact CE2-CD2 4.36Å; F75-L196 HydrophobicContact CG-CD2 4.09Å; F75-L196 HydrophobicContact CZ-CD2 4.46Å; F192-L196 HydrophobicContact CE1-CD2 4.39Å; F192-L196 HydrophobicContact CZ-CD2 4.45Å; F192-L196 WeakPolarHBondContact O-CB 3.34Å; F192-L196 PolarHBondContact O-N 2.81Å; I193-L196 PolarHBondContact O-N 2.75Å; L196-G198 PolarHBondContact O-N 3.26Å; L196-L211 HydrophobicContact CD1-CB 4.36Å; L196-W218 HydrophobicContact CD2-CH2 4.27Å; L196-W218 HydrophobicContact CD2-CZ3 3.68Å; L196-W218 HydrophobicContact CG-CE3 4.17Å; L196-W218 HydrophobicContact CG-CZ3 3.68Å; L196-L235 HydrophobicContact CD2-CD2 4.01Å
197	K	81.9	Confident	74.5	Confident	73 Å²	73	67.5 Å²	67.5	32%	0.317	38%	0.376	S	S	.	.	H	α-helix	trans	-71.8	-17.4	170.1	-170.2	176	169.6	-153.9	0	113	I193 E194 W195 E199 L235	I193-K197 WeakPolarHBondContact O-CB 3.45Å; I193-K197 PolarHBondContact O-N 3.06Å; E194-K197 PolarHBondContact O-N 3.45Å; W195-K197 VanDerWaalsContact C-N 3.31Å; W195-K197 PolarHBondContact O-N 3.28Å; K197-E199 HydrophobicContact CD-CG 4.31Å; K197-E199 WeakPolarHBondContact CD-OE2 3.48Å; K197-E199 VanDerWaalsContact CE-CD 3.48Å; K197-E199 WeakPolarHBondContact CE-OE1 3.13Å; K197-E199 HydrophobicContact CG-CG 4.34Å; K197-E199 IonicContact NZ-OE1 3.72Å; K197-E199 PolarHBondContact NZ-OE1 2.8Å; K197-E199 IonicContact NZ-OE2 2.78Å; K197-E199 PolarHBondContact NZ-OE2 3.5Å; K197-L235 HydrophobicContact CB-CD1 4.03Å; K197-L235 HydrophobicContact CG-CD1 4.48Å
198	G	76.1	Confident	74.2	Confident	31 Å²	31	67.6 Å²	67.6	32%	0.32	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	6	-179.6	0	0	0	0	0	114.5	E194 W195 L196	E194-G198 PolarHBondContact O-N 2.99Å; W195-G198 PolarHBondContact O-N 3.1Å; W195-G198 VanDerWaalsContact O-N 3.12Å; L196-G198 PolarHBondContact O-N 3.26Å
199	E	75.4	Confident	74.2	Confident	117 Å²	117	67.3 Å²	67.3	55%	0.547	38%	0.381	S	S	.	.	S	Bend	trans	-79.4	-24.4	-176.9	-74	177.1	165.2	0	0	112.8	E194 K197	E194-E199 HydrophobicContact CG-CB 3.6Å; E194-E199 PolarHBondContact O-N 3.15Å; K197-E199 HydrophobicContact CD-CG 4.31Å; K197-E199 WeakPolarHBondContact CD-OE2 3.48Å; K197-E199 VanDerWaalsContact CE-CD 3.48Å; K197-E199 WeakPolarHBondContact CE-OE1 3.13Å; K197-E199 HydrophobicContact CG-CG 4.34Å; K197-E199 IonicContact NZ-OE1 3.72Å; K197-E199 PolarHBondContact NZ-OE1 2.8Å; K197-E199 IonicContact NZ-OE2 2.78Å; K197-E199 PolarHBondContact NZ-OE2 3.5Å
200	S	72	Confident	74.3	Confident	26 Å²	26	67.6 Å²	67.6	18%	0.182	38%	0.384	C	S	.	.			trans	-122.6	148.3	178	78.3	0	0	0	0	113.6	W195 R215	W195-S200 VanDerWaalsContact CA-OG 3.3Å; W195-S200 WeakPolarHBondContact CA-OG 3.33Å; W195-S200 WeakPolarHBondContact CB-OG 3.49Å; W195-S200 VanDerWaalsContact CD1-O 3.25Å; W195-S200 PolarHBondContact N-OG 3.08Å; S200-R215 PolarHBondContact O-NH1 3.48Å
201	E	66.1	Low	74.5	Confident	165 Å²	165	65.2 Å²	65.2	77%	0.771	36%	0.364	S	S	*	.	S	Bend	trans	-87.8	-22	176.1	-65.4	-174.1	170.7	0	0	112.6
202	N	59.8	Low	74.7	Confident	134 Å²	134	66 Å²	66	72%	0.717	37%	0.365	S	S	*	.			trans	-114	79.1	-164.4	-75.6	46	0	0	0	113.7
203	C	57	Low	74.9	Confident	14 Å²	14	70.3 Å²	70.3	10%	0.095	38%	0.382	C	S	.	.			trans	-82.8	146.5	159.3	179.9	0	0	0	0	111	W195 S205 K208	W195-C203 HydrophobicContact CB-CB 3.83Å; W195-C203 HydrophobicContact CD2-CB 3.6Å; W195-C203 HydrophobicContact CE3-CB 4.17Å; W195-C203 HydrophobicContact CG-CB 3.39Å; C203-S205 VanDerWaalsContact C-N 3.34Å; C203-S205 PolarHBondContact SG-N 2.95Å; C203-S205 VanDerWaalsContact SG-N 3.45Å; C203-K208 VanDerWaalsContact C-CE 3.45Å; C203-K208 HydrophobicContact CB-CG 4.44Å; C203-K208 WeakPolarHBondContact O-CE 3.38Å; C203-K208 PolarHBondContact O-NZ 3.42Å
204	G	58.9	Low	75.2	Confident	88 Å²	88	67.8 Å²	67.8	91%	0.907	37%	0.369	S	S	*	.			trans	-85.6	0.8	175.5	0	0	0	0	0	114.8
205	S	63.5	Low	75.3	Confident	31 Å²	31	66.5 Å²	66.5	22%	0.217	36%	0.36	C	S	.	.			trans	-86.6	141.8	-168.1	-170.7	0	0	0	0	113.8	C203 E207 K208	C203-S205 VanDerWaalsContact C-N 3.34Å; C203-S205 PolarHBondContact SG-N 2.95Å; C203-S205 VanDerWaalsContact SG-N 3.45Å; S205-E207 PolarHBondContact O-N 3.21Å; S205-E207 WeakPolarHBondContact OG-CB 3.24Å; S205-E207 VanDerWaalsContact OG-CG 3.29Å; S205-E207 WeakPolarHBondContact OG-CG 3.43Å; S205-E207 PolarHBondContact OG-N 2.99Å; S205-E207 PolarHBondContact OG-OE2 3.26Å; S205-K208 WeakPolarHBondContact O-CG 3.39Å; S205-K208 PolarHBondContact O-N 3.28Å
206	E	64.1	Low	75.3	Confident	194 Å²	194	70.4 Å²	70.4	91%	0.907	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.2	168.5	-61.7	-173.9	165.8	0	0	111.9	K208	E206-K208 PolarHBondContact O-N 3.45Å; E206-K208 VanDerWaalsContact O-N 3.16Å
207	E	66.8	Low	75.3	Confident	67 Å²	67	71.8 Å²	71.8	31%	0.313	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7	-177.4	-59.2	156.5	160.1	0	0	113.3	S205 A209 D210 L211	S205-E207 PolarHBondContact O-N 3.21Å; S205-E207 WeakPolarHBondContact OG-CB 3.24Å; S205-E207 VanDerWaalsContact OG-CG 3.29Å; S205-E207 WeakPolarHBondContact OG-CG 3.43Å; S205-E207 PolarHBondContact OG-N 2.99Å; S205-E207 PolarHBondContact OG-OE2 3.26Å; E207-A209 PolarHBondContact O-N 2.87Å; E207-D210 PolarHBondContact O-N 3.18Å; E207-L211 HydrophobicContact CB-CD1 4.22Å; E207-L211 PolarHBondContact O-N 3.37Å; E207-L211 VanDerWaalsContact O-N 3.13Å
208	K	71.9	Confident	75.6	Confident	61 Å²	61	68.5 Å²	68.5	27%	0.265	37%	0.374	S	S	.	.	H	α-helix	trans	-50.1	-44.1	178.4	-82.2	-176.8	173.1	177.7	0	113.1	W195 C203 S205 E206 D210 L211 Q212	W195-K208 HydrophobicContact CH2-CB 4.25Å; W195-K208 HydrophobicContact CH2-CG 3.99Å; W195-K208 HydrophobicContact CZ2-CB 4.17Å; W195-K208 HydrophobicContact CZ2-CD 4.42Å; W195-K208 HydrophobicContact CZ2-CG 3.69Å; C203-K208 VanDerWaalsContact C-CE 3.45Å; C203-K208 HydrophobicContact CB-CG 4.44Å; C203-K208 WeakPolarHBondContact O-CE 3.38Å; C203-K208 PolarHBondContact O-NZ 3.42Å; S205-K208 WeakPolarHBondContact O-CG 3.39Å; S205-K208 PolarHBondContact O-N 3.28Å; E206-K208 PolarHBondContact O-N 3.45Å; E206-K208 VanDerWaalsContact O-N 3.16Å; K208-D210 VanDerWaalsContact C-N 3.3Å; K208-D210 PolarHBondContact O-N 2.79Å; K208-L211 PolarHBondContact O-N 2.61Å; K208-Q212 WeakPolarHBondContact O-CB 3.46Å; K208-Q212 WeakPolarHBondContact O-CG 3.23Å; K208-Q212 PolarHBondContact O-N 3.46Å
209	A	79	Confident	75.9	Confident	72 Å²	72	70.2 Å²	70.2	60%	0.595	38%	0.375	S	S	*	.	H	α-helix	trans	-64.3	-37.4	-174	0	0	0	0	0	112	E207	E207-A209 PolarHBondContact O-N 2.87Å
210	D	81.3	Confident	76.2	Confident	56 Å²	56	69 Å²	69	30%	0.299	38%	0.379	S	S	.	.	H	α-helix	trans	-75.8	-36.6	179	-66.1	-26.7	0	0	0	111	K76 S79 E207 K208	K76-D210 HydrophobicContact CD-CB 4.3Å; K76-D210 WeakPolarHBondContact CD-OD2 3.44Å; K76-D210 WeakPolarHBondContact CE-OD2 3.35Å; K76-D210 HydrophobicContact CG-CB 4.11Å; K76-D210 IonicContact NZ-OD2 2.69Å; K76-D210 PolarHBondContact NZ-OD2 3.02Å; S79-D210 VanDerWaalsContact CB-O 3.28Å; S79-D210 WeakPolarHBondContact CB-O 3.2Å; S79-D210 PolarHBondContact OG-O 3.32Å; E207-D210 PolarHBondContact O-N 3.18Å; K208-D210 VanDerWaalsContact C-N 3.3Å; K208-D210 PolarHBondContact O-N 2.79Å
211	L	86.1	Confident	76.3	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-86.4	-13.3	-175.6	-64.3	175.5	0	0	0	114.9	F75 F192 W195 L196 E207 K208 Y213 L214 R215	F75-L211 VanDerWaalsContact C-CD2 3.4Å; F75-L211 HydrophobicContact CB-CD2 3.6Å; F75-L211 WeakPolarHBondContact O-CD2 3.29Å; F192-L211 HydrophobicContact CE2-CD1 3.47Å; F192-L211 VanDerWaalsContact CE2-CD1 3.47Å; F192-L211 HydrophobicContact CZ-CD1 3.65Å; W195-L211 HydrophobicContact CH2-CB 3.89Å; W195-L211 HydrophobicContact CZ3-CB 3.82Å; W195-L211 HydrophobicContact CZ3-CD1 4.12Å; L196-L211 HydrophobicContact CD1-CB 4.36Å; E207-L211 HydrophobicContact CB-CD1 4.22Å; E207-L211 PolarHBondContact O-N 3.37Å; E207-L211 VanDerWaalsContact O-N 3.13Å; K208-L211 PolarHBondContact O-N 2.61Å; L211-Y213 VanDerWaalsContact C-N 3.3Å; L211-Y213 PolarHBondContact O-N 3.13Å; L211-L214 PolarHBondContact O-N 3.37Å; L211-R215 PolarHBondContact O-N 2.97Å; L211-R215 VanDerWaalsContact O-N 3.12Å
212	Q	86.3	Confident	76	Confident	100 Å²	100	65.7 Å²	65.7	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-52.5	-44.5	-178.8	-96.2	168	34.5	0	0	113	K208 L214 R215 D216	K208-Q212 WeakPolarHBondContact O-CB 3.46Å; K208-Q212 WeakPolarHBondContact O-CG 3.23Å; K208-Q212 PolarHBondContact O-N 3.46Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 3.42Å; Q212-R215 WeakPolarHBondContact O-CB 3.36Å; Q212-R215 PolarHBondContact O-N 3.49Å; Q212-D216 PolarHBondContact O-N 2.77Å
213	Y	88.2	Confident	76.2	Confident	103 Å²	103	64.3 Å²	64.3	40%	0.404	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-40.5	178.7	-176.8	-86.7	0	0	0	112.2	K82 A83 L211 R215 D216 F217	K82-Y213 HydrophobicContact CB-CD1 4.22Å; K82-Y213 HydrophobicContact CB-CE1 3.77Å; K82-Y213 PolarHBondContact O-OH 2.87Å; A83-Y213 VanDerWaalsContact CA-CZ 3.49Å; A83-Y213 HydrophobicContact CB-CD1 3.65Å; A83-Y213 HydrophobicContact CB-CD2 3.93Å; A83-Y213 HydrophobicContact CB-CE1 3.86Å; A83-Y213 HydrophobicContact CB-CE2 4.09Å; A83-Y213 HydrophobicContact CB-CG 3.7Å; L211-Y213 VanDerWaalsContact C-N 3.3Å; L211-Y213 PolarHBondContact O-N 3.13Å; Y213-R215 VanDerWaalsContact C-N 3.35Å; Y213-D216 PolarHBondContact O-N 3.28Å; Y213-F217 HydrophobicContact CD1-CB 4.38Å; Y213-F217 HydrophobicContact CE1-CB 4.12Å; Y213-F217 HydrophobicContact CE1-CD2 4.27Å; Y213-F217 HydrophobicContact CE1-CG 4.41Å; Y213-F217 WeakPolarHBondContact O-CB 3.39Å; Y213-F217 PolarHBondContact O-N 2.98Å
214	L	88.6	Confident	76.6	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-67.1	-39.4	-179.5	-177.7	62.4	0	0	0	111.3	F75 L78 K82 L211 Q212 F217 W218	F75-L214 HydrophobicContact CB-CD2 4.22Å; F75-L214 HydrophobicContact CD1-CD2 4.03Å; L78-L214 HydrophobicContact CB-CD2 4.48Å; L78-L214 HydrophobicContact CD2-CD1 4.12Å; L78-L214 HydrophobicContact CD2-CD2 4.12Å; L78-L214 HydrophobicContact CG-CD1 4.1Å; L78-L214 HydrophobicContact CG-CD2 4.36Å; K82-L214 HydrophobicContact CG-CD1 4.5Å; L211-L214 PolarHBondContact O-N 3.37Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 3.42Å; L214-F217 PolarHBondContact O-N 3.08Å; L214-W218 HydrophobicContact CD1-CD2 4.14Å; L214-W218 HydrophobicContact CD1-CZ2 3.93Å; L214-W218 HydrophobicContact CD2-CH2 4.05Å; L214-W218 HydrophobicContact CD2-CZ2 4.17Å; L214-W218 HydrophobicContact CD2-CZ3 4.34Å; L214-W218 HydrophobicContact CG-CD2 4.14Å; L214-W218 HydrophobicContact CG-CE3 4.26Å; L214-W218 HydrophobicContact CG-CH2 4.32Å; L214-W218 HydrophobicContact CG-CZ2 4.16Å; L214-W218 HydrophobicContact CG-CZ3 4.38Å; L214-W218 PolarHBondContact O-N 3.48Å
215	R	86.8	Confident	77.3	Confident	55 Å²	55	69.4 Å²	69.4	21%	0.208	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-55.3	173.8	-168.8	-177.5	98.7	147.2	11.3	111.1	W195 S200 L211 Q212 Y213 F217 W218 D219	W195-R215 WeakPolarHBondContact O-CD 3.31Å; S200-R215 PolarHBondContact O-NH1 3.48Å; L211-R215 PolarHBondContact O-N 2.97Å; L211-R215 VanDerWaalsContact O-N 3.12Å; Q212-R215 WeakPolarHBondContact O-CB 3.36Å; Q212-R215 PolarHBondContact O-N 3.49Å; Y213-R215 VanDerWaalsContact C-N 3.35Å; R215-F217 PolarHBondContact O-N 3.16Å; R215-W218 PolarHBondContact O-N 3.25Å; R215-W218 VanDerWaalsContact O-N 3.1Å; R215-D219 WeakPolarHBondContact O-CB 3.4Å; R215-D219 PolarHBondContact O-N 3.02Å
216	D	86.6	Confident	78.2	Confident	89 Å²	89	71.3 Å²	71.3	48%	0.476	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-34.3	179.6	-64.3	-15.9	0	0	0	111.7	Q212 Y213 S220	Q212-D216 PolarHBondContact O-N 2.77Å; Y213-D216 PolarHBondContact O-N 3.28Å; D216-S220 WeakPolarHBondContact O-CB 3.45Å; D216-S220 PolarHBondContact O-N 3.09Å; D216-S220 PolarHBondContact O-OG 2.96Å
217	F	86.1	Confident	79.2	Confident	30 Å²	30	64 Å²	64	13%	0.132	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-45	174.9	-178.7	-93.3	0	0	0	112.1	K82 Y213 L214 R215 S220 Q221 E227	K82-F217 HydrophobicContact CD-CD1 4.28Å; K82-F217 HydrophobicContact CD-CE1 3.83Å; K82-F217 HydrophobicContact CD-CZ 4Å; Y213-F217 HydrophobicContact CD1-CB 4.38Å; Y213-F217 HydrophobicContact CE1-CB 4.12Å; Y213-F217 HydrophobicContact CE1-CD2 4.27Å; Y213-F217 HydrophobicContact CE1-CG 4.41Å; Y213-F217 WeakPolarHBondContact O-CB 3.39Å; Y213-F217 PolarHBondContact O-N 2.98Å; L214-F217 PolarHBondContact O-N 3.08Å; R215-F217 PolarHBondContact O-N 3.16Å; F217-S220 PolarHBondContact O-OG 2.75Å; F217-S220 VanDerWaalsContact O-OG 3.07Å; F217-Q221 VanDerWaalsContact O-CB 3.26Å; F217-Q221 WeakPolarHBondContact O-CB 3.1Å; F217-Q221 PolarHBondContact O-N 3.41Å; F217-E227 HydrophobicContact CE1-CG 4.34Å
218	W	88	Confident	79.9	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.015	37%	0.368	C	S	.	.	H	α-helix	trans	-70.8	-34.5	177	-75.7	-17.5	0	0	0	113.3	F75 L78 L196 L214 R215 A222 R231 L234 L235	F75-W218 HydrophobicContact CD1-CH2 4.2Å; F75-W218 AromaticContact CE1-CH2 3.88Å; F75-W218 HydrophobicContact CE1-CH2 3.88Å; L78-W218 HydrophobicContact CD2-CZ2 4.21Å; L196-W218 HydrophobicContact CD2-CH2 4.27Å; L196-W218 HydrophobicContact CD2-CZ3 3.68Å; L196-W218 HydrophobicContact CG-CE3 4.17Å; L196-W218 HydrophobicContact CG-CZ3 3.68Å; L214-W218 HydrophobicContact CD1-CD2 4.14Å; L214-W218 HydrophobicContact CD1-CZ2 3.93Å; L214-W218 HydrophobicContact CD2-CH2 4.05Å; L214-W218 HydrophobicContact CD2-CZ2 4.17Å; L214-W218 HydrophobicContact CD2-CZ3 4.34Å; L214-W218 HydrophobicContact CG-CD2 4.14Å; L214-W218 HydrophobicContact CG-CE3 4.26Å; L214-W218 HydrophobicContact CG-CH2 4.32Å; L214-W218 HydrophobicContact CG-CZ2 4.16Å; L214-W218 HydrophobicContact CG-CZ3 4.38Å; L214-W218 PolarHBondContact O-N 3.48Å; R215-W218 PolarHBondContact O-N 3.25Å; R215-W218 VanDerWaalsContact O-N 3.1Å; W218-A222 WeakPolarHBondContact O-CB 3.38Å; W218-A222 PolarHBondContact O-N 2.8Å; W218-A222 VanDerWaalsContact O-N 3.16Å; W218-R231 HydrophobicContact CD2-CB 3.98Å; W218-R231 HydrophobicContact CD2-CG 3.79Å; W218-R231 HydrophobicContact CE3-CB 4.28Å; W218-R231 HydrophobicContact CE3-CG 3.62Å; W218-R231 HydrophobicContact CG-CB 4.28Å; W218-R231 HydrophobicContact CG-CG 4.26Å; W218-R231 HydrophobicContact CH2-CG 4.42Å; W218-R231 HydrophobicContact CZ2-CB 4.39Å; W218-R231 HydrophobicContact CZ3-CG 3.93Å; W218-L234 HydrophobicContact CZ2-CD1 4.34Å; W218-L235 HydrophobicContact CZ3-CD1 4.48Å; W218-L235 HydrophobicContact CZ3-CD2 4.33Å; W218-L235 HydrophobicContact CZ3-CG 4.42Å
219	D	81.7	Confident	80.7	Confident	66 Å²	66	65.2 Å²	65.2	35%	0.353	38%	0.378	S	S	.	.	H	α-helix	trans	-68.9	-41.4	175	-70.8	-21.2	0	0	0	111.5	R215	R215-D219 WeakPolarHBondContact O-CB 3.4Å; R215-D219 PolarHBondContact O-N 3.02Å
220	S	82.1	Confident	81.2	Confident	91 Å²	91	64.7 Å²	64.7	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-72.9	-35	179.2	60.1	0	0	0	0	113.4	D216 F217	D216-S220 WeakPolarHBondContact O-CB 3.45Å; D216-S220 PolarHBondContact O-N 3.09Å; D216-S220 PolarHBondContact O-OG 2.96Å; F217-S220 PolarHBondContact O-OG 2.75Å; F217-S220 VanDerWaalsContact O-OG 3.07Å
221	Q	73.2	Confident	81.4	Confident	76 Å²	76	64.4 Å²	64.4	36%	0.355	36%	0.36	S	S	.	.	S	Bend	trans	-94.7	4.7	-176.9	-156.4	133.3	-32.1	0	0	113.7	F217 A223 D224 E227	F217-Q221 VanDerWaalsContact O-CB 3.26Å; F217-Q221 WeakPolarHBondContact O-CB 3.1Å; F217-Q221 PolarHBondContact O-N 3.41Å; Q221-A223 PolarHBondContact O-N 3.17Å; Q221-D224 PolarHBondContact O-N 2.91Å; Q221-E227 HydrophobicContact CG-CB 4.25Å; Q221-E227 HydrophobicContact CG-CG 4.14Å
222	A	60.7	Low	81.4	Confident	46 Å²	46	67.1 Å²	67.1	38%	0.38	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-18.2	-175.1	0	0	0	0	0	115.2	W218	W218-A222 WeakPolarHBondContact O-CB 3.38Å; W218-A222 PolarHBondContact O-N 2.8Å; W218-A222 VanDerWaalsContact O-N 3.16Å
223	A	63.4	Low	81.6	Confident	105 Å²	105	65.7 Å²	65.7	87%	0.868	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-18.2	-179.7	0	0	0	0	0	114.8	Q221	Q221-A223 PolarHBondContact O-N 3.17Å
224	D	65.7	Low	81.7	Confident	117 Å²	117	62.1 Å²	62.1	63%	0.626	35%	0.353	S	S	*	.	S	Bend	trans	-105.9	113.1	-175	-152.2	6.6	0	0	0	111.4	Q221 A226 E227	Q221-D224 PolarHBondContact O-N 2.91Å; D224-A226 PolarHBondContact O-N 2.82Å; D224-E227 PolarHBondContact O-N 3.38Å
225	S	74	Confident	81.6	Confident	92 Å²	92	62.7 Å²	62.7	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-51.2	-22.1	-155	179.7	0	0	0	0	117.6	S228 Y229	S225-S228 WeakPolarHBondContact CA-OG 3.5Å; S225-S228 PolarHBondContact O-OG 3.36Å; S225-S228 VanDerWaalsContact O-OG 3.12Å; S225-Y229 VanDerWaalsContact O-CB 3.23Å; S225-Y229 WeakPolarHBondContact O-CB 3.2Å; S225-Y229 PolarHBondContact O-N 2.94Å
226	A	82.2	Confident	81.6	Confident	72 Å²	72	64.6 Å²	64.6	60%	0.595	37%	0.37	S	S	*	.	H	α-helix	trans	-80.9	-40.1	-174.7	0	0	0	0	0	113	D224 L230	D224-A226 PolarHBondContact O-N 2.82Å; A226-L230 WeakPolarHBondContact O-CB 3.47Å; A226-L230 PolarHBondContact O-N 2.93Å
227	E	84.6	Confident	81.6	Confident	39 Å²	39	63.5 Å²	63.5	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-78.9	-34.2	-179.9	-64.8	-71.4	160.5	0	0	110.8	K82 F217 Q221 D224 Y229 L230 R231	K82-E227 IonicContact NZ-OE1 2.87Å; K82-E227 PolarHBondContact NZ-OE1 2.95Å; K82-E227 IonicContact NZ-OE2 2.82Å; K82-E227 PolarHBondContact NZ-OE2 3.39Å; F217-E227 HydrophobicContact CE1-CG 4.34Å; Q221-E227 HydrophobicContact CG-CB 4.25Å; Q221-E227 HydrophobicContact CG-CG 4.14Å; D224-E227 PolarHBondContact O-N 3.38Å; E227-Y229 VanDerWaalsContact C-N 3.3Å; E227-Y229 PolarHBondContact O-N 3.2Å; E227-L230 PolarHBondContact O-N 2.9Å; E227-R231 VanDerWaalsContact O-CB 3.31Å; E227-R231 WeakPolarHBondContact O-CB 3.42Å; E227-R231 PolarHBondContact O-N 3.36Å
228	S	82.5	Confident	81.4	Confident	31 Å²	31	67.6 Å²	67.6	22%	0.217	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-38.8	170.6	65.1	0	0	0	0	111.6	S225 D232	S225-S228 WeakPolarHBondContact CA-OG 3.5Å; S225-S228 PolarHBondContact O-OG 3.36Å; S225-S228 VanDerWaalsContact O-OG 3.12Å; S228-D232 WeakPolarHBondContact O-CB 3.44Å; S228-D232 PolarHBondContact O-N 3.27Å
229	Y	88.1	Confident	81.1	Confident	124 Å²	124	70.4 Å²	70.4	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-47.5	172.3	175.3	-93.7	0	0	0	111.4	S225 E227 R231 D232 Y233	S225-Y229 VanDerWaalsContact O-CB 3.23Å; S225-Y229 WeakPolarHBondContact O-CB 3.2Å; S225-Y229 PolarHBondContact O-N 2.94Å; E227-Y229 VanDerWaalsContact C-N 3.3Å; E227-Y229 PolarHBondContact O-N 3.2Å; Y229-R231 VanDerWaalsContact C-N 3.29Å; Y229-R231 PolarHBondContact O-N 2.91Å; Y229-D232 PolarHBondContact O-N 2.65Å; Y229-Y233 HydrophobicContact CE1-CD2 4.11Å; Y229-Y233 HydrophobicContact CE1-CG 4.28Å; Y229-Y233 AromaticContact CZ-CD2 3.86Å; Y229-Y233 WeakPolarHBondContact O-CB 3.31Å; Y229-Y233 PolarHBondContact O-N 2.96Å; Y229-Y233 WeakPolarHBondContact OH-CD2 3.37Å
230	L	88.3	Confident	81	Confident	61 Å²	61	70.9 Å²	70.9	32%	0.319	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-40.3	179.7	-177.9	61	0	0	0	111.6	A226 E227 Y233 L234	A226-L230 WeakPolarHBondContact O-CB 3.47Å; A226-L230 PolarHBondContact O-N 2.93Å; E227-L230 PolarHBondContact O-N 2.9Å; L230-Y233 PolarHBondContact O-N 3.42Å; L230-L234 HydrophobicContact CD1-CD1 3.91Å; L230-L234 HydrophobicContact CD1-CG 4.08Å; L230-L234 HydrophobicContact CG-CD1 3.95Å; L230-L234 HydrophobicContact CG-CG 4.49Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.22Å; L230-L234 PolarHBondContact O-N 3.48Å
231	R	86.7	Confident	80.1	Confident	50 Å²	50	71 Å²	71	19%	0.189	38%	0.375	C	S	.	.	H	α-helix	trans	-57.5	-56.4	172.1	178.7	-166	73.4	178.2	2.4	110.9	W218 E227 Y229 Y233 L234 L235	W218-R231 HydrophobicContact CD2-CB 3.98Å; W218-R231 HydrophobicContact CD2-CG 3.79Å; W218-R231 HydrophobicContact CE3-CB 4.28Å; W218-R231 HydrophobicContact CE3-CG 3.62Å; W218-R231 HydrophobicContact CG-CB 4.28Å; W218-R231 HydrophobicContact CG-CG 4.26Å; W218-R231 HydrophobicContact CH2-CG 4.42Å; W218-R231 HydrophobicContact CZ2-CB 4.39Å; W218-R231 HydrophobicContact CZ3-CG 3.93Å; E227-R231 VanDerWaalsContact O-CB 3.31Å; E227-R231 WeakPolarHBondContact O-CB 3.42Å; E227-R231 PolarHBondContact O-N 3.36Å; Y229-R231 VanDerWaalsContact C-N 3.29Å; Y229-R231 PolarHBondContact O-N 2.91Å; R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 3.02Å; R231-L234 PolarHBondContact O-N 2.97Å; R231-L235 HydrophobicContact CG-CD1 3.8Å; R231-L235 HydrophobicContact CG-CG 4.4Å; R231-L235 WeakPolarHBondContact O-CB 3.41Å; R231-L235 VanDerWaalsContact O-CG 3.29Å; R231-L235 WeakPolarHBondContact O-CG 3.39Å; R231-L235 PolarHBondContact O-N 2.67Å
232	D	86.6	Confident	79.4	Confident	59 Å²	59	75.5 Å²	75.5	32%	0.316	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-39.5	-179.1	-172.2	63	0	0	0	112.1	S228 Y229 N236	S228-D232 WeakPolarHBondContact O-CB 3.44Å; S228-D232 PolarHBondContact O-N 3.27Å; Y229-D232 PolarHBondContact O-N 2.65Å; D232-N236 VanDerWaalsContact CG-ND2 3.28Å; D232-N236 VanDerWaalsContact O-CB 3.23Å; D232-N236 WeakPolarHBondContact O-CB 3.42Å; D232-N236 VanDerWaalsContact O-CG 3.29Å; D232-N236 PolarHBondContact O-N 3.05Å; D232-N236 PolarHBondContact O-ND2 3.33Å; D232-N236 PolarHBondContact OD1-ND2 3.48Å; D232-N236 PolarHBondContact OD2-ND2 2.96Å
233	Y	89.5	Confident	79.2	Confident	69 Å²	69	82.3 Å²	82.3	27%	0.271	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-45.4	178.4	-176.1	-91.3	0	0	0	112.5	Y229 L230 R231 R237 R238 Y239	Y229-Y233 HydrophobicContact CE1-CD2 4.11Å; Y229-Y233 HydrophobicContact CE1-CG 4.28Å; Y229-Y233 AromaticContact CZ-CD2 3.86Å; Y229-Y233 WeakPolarHBondContact O-CB 3.31Å; Y229-Y233 PolarHBondContact O-N 2.96Å; Y229-Y233 WeakPolarHBondContact OH-CD2 3.37Å; L230-Y233 PolarHBondContact O-N 3.42Å; R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 3.02Å; Y233-R237 PolarHBondContact O-N 3.21Å; Y233-R238 HydrophobicContact CD2-CB 3.5Å; Y233-R238 HydrophobicContact CD2-CG 4.4Å; Y233-R238 HydrophobicContact CE2-CB 3.61Å; Y233-R238 WeakPolarHBondContact CE2-O 3.23Å; Y233-R238 HydrophobicContact CG-CB 4.14Å; Y233-R238 PolarHBondContact O-N 2.81Å; Y233-R238 PolarHBondContact OH-O 3.2Å; Y233-Y239 VanDerWaalsContact OH-CA 3.24Å; Y233-Y239 WeakPolarHBondContact OH-CA 3.41Å; Y233-Y239 WeakPolarHBondContact OH-CB 3.49Å
234	L	90.2	Very high	78.5	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.147	40%	0.397	C	S	.	.	H	α-helix	trans	-72.6	-45.7	179.4	-70.3	170.9	0	0	0	112	F74 F75 L78 W218 L230 R231 R237	F74-L234 HydrophobicContact CE1-CD1 4.18Å; F74-L234 HydrophobicContact CE1-CD2 4.17Å; F75-L234 HydrophobicContact CE1-CB 4.19Å; F75-L234 HydrophobicContact CE1-CD1 4.28Å; F75-L234 HydrophobicContact CZ-CB 4.33Å; L78-L234 HydrophobicContact CD2-CD1 4.3Å; W218-L234 HydrophobicContact CZ2-CD1 4.34Å; L230-L234 HydrophobicContact CD1-CD1 3.91Å; L230-L234 HydrophobicContact CD1-CG 4.08Å; L230-L234 HydrophobicContact CG-CD1 3.95Å; L230-L234 HydrophobicContact CG-CG 4.49Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.22Å; L230-L234 PolarHBondContact O-N 3.48Å; R231-L234 PolarHBondContact O-N 2.97Å; L234-R237 PolarHBondContact O-N 2.88Å
235	L	86.6	Confident	77.7	Confident	13 Å²	13	78.7 Å²	78.7	7%	0.068	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-37.6	-177.6	-68.5	-177.5	0	0	0	112.5	F75 I193 L196 K197 W218 R231 R237	F75-L235 HydrophobicContact CZ-CD2 4.38Å; I193-L235 HydrophobicContact CG2-CB 4.24Å; I193-L235 HydrophobicContact CG2-CD2 4.3Å; L196-L235 HydrophobicContact CD2-CD2 4.01Å; K197-L235 HydrophobicContact CB-CD1 4.03Å; K197-L235 HydrophobicContact CG-CD1 4.48Å; W218-L235 HydrophobicContact CZ3-CD1 4.48Å; W218-L235 HydrophobicContact CZ3-CD2 4.33Å; W218-L235 HydrophobicContact CZ3-CG 4.42Å; R231-L235 HydrophobicContact CG-CD1 3.8Å; R231-L235 HydrophobicContact CG-CG 4.4Å; R231-L235 WeakPolarHBondContact O-CB 3.41Å; R231-L235 VanDerWaalsContact O-CG 3.29Å; R231-L235 WeakPolarHBondContact O-CG 3.39Å; R231-L235 PolarHBondContact O-N 2.67Å; L235-R237 PolarHBondContact O-N 2.92Å
236	N	86	Confident	76.4	Confident	94 Å²	94	81 Å²	81	50%	0.503	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8.3	176.7	-59.6	-22.2	0	0	0	112.8	D232 R238	D232-N236 VanDerWaalsContact CG-ND2 3.28Å; D232-N236 VanDerWaalsContact O-CB 3.23Å; D232-N236 WeakPolarHBondContact O-CB 3.42Å; D232-N236 VanDerWaalsContact O-CG 3.29Å; D232-N236 PolarHBondContact O-N 3.05Å; D232-N236 PolarHBondContact O-ND2 3.33Å; D232-N236 PolarHBondContact OD1-ND2 3.48Å; D232-N236 PolarHBondContact OD2-ND2 2.96Å; N236-R238 HydrophobicContact CB-CG 3.83Å; N236-R238 PolarHBondContact O-N 2.77Å; N236-R238 VanDerWaalsContact O-N 3.13Å
237	R	86.5	Confident	74.6	Confident	67 Å²	67	80.7 Å²	80.7	25%	0.253	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39	-179.9	-59.2	-179.9	172.4	154.2	4.9	113.9	E71 E189 Y233 L234 L235 Y239 R240	E71-R237 IonicContact OE1-CZ 2.84Å; E71-R237 IonicContact OE1-NE 3.3Å; E71-R237 PolarHBondContact OE1-NE 3.18Å; E71-R237 IonicContact OE2-CZ 2.71Å; E71-R237 VanDerWaalsContact OE2-CZ 3.3Å; E71-R237 IonicContact OE2-NE 3.87Å; E71-R237 PolarHBondContact OE2-NE 3.3Å; E71-R237 IonicContact OE2-NH2 3.86Å; E71-R237 PolarHBondContact OE2-NH2 3.45Å; E189-R237 IonicContact OE2-NH2 3.3Å; Y233-R237 PolarHBondContact O-N 3.21Å; L234-R237 PolarHBondContact O-N 2.88Å; L235-R237 PolarHBondContact O-N 2.92Å; R237-Y239 HydrophobicContact CB-CE1 3.93Å; R237-Y239 HydrophobicContact CG-CE1 4.2Å; R237-Y239 PolarHBondContact O-N 2.74Å; R237-R240 PolarHBondContact O-N 2.67Å
238	R	83.5	Confident	72.6	Confident	116 Å²	116	84.8 Å²	84.8	44%	0.438	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	4.1	-174.9	-58.9	-172	71.8	-178	3.6	115	Y233 N236 R240	Y233-R238 HydrophobicContact CD2-CB 3.5Å; Y233-R238 HydrophobicContact CD2-CG 4.4Å; Y233-R238 HydrophobicContact CE2-CB 3.61Å; Y233-R238 WeakPolarHBondContact CE2-O 3.23Å; Y233-R238 HydrophobicContact CG-CB 4.14Å; Y233-R238 PolarHBondContact O-N 2.81Å; Y233-R238 PolarHBondContact OH-O 3.2Å; N236-R238 HydrophobicContact CB-CG 3.83Å; N236-R238 PolarHBondContact O-N 2.77Å; N236-R238 VanDerWaalsContact O-N 3.13Å; R238-R240 VanDerWaalsContact C-N 3.27Å
239	Y	81.3	Confident	70.7	Confident	63 Å²	63	88.1 Å²	88.1	25%	0.247	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-8.9	168.8	60.5	-96.2	0	0	0	112.2	A63 V66 E71 Y233 R237	A63-Y239 HydrophobicContact CB-CD2 3.84Å; A63-Y239 HydrophobicContact CB-CE2 3.64Å; V66-Y239 HydrophobicContact CG1-CE2 4.49Å; V66-Y239 WeakPolarHBondContact CG1-OH 3.41Å; V66-Y239 HydrophobicContact CG2-CE2 4.44Å; E71-Y239 PolarHBondContact OE1-OH 2.86Å; Y233-Y239 VanDerWaalsContact OH-CA 3.24Å; Y233-Y239 WeakPolarHBondContact OH-CA 3.41Å; Y233-Y239 WeakPolarHBondContact OH-CB 3.49Å; R237-Y239 HydrophobicContact CB-CE1 3.93Å; R237-Y239 HydrophobicContact CG-CE1 4.2Å; R237-Y239 PolarHBondContact O-N 2.74Å
240	R	78.9	Confident	68.5	Low	76 Å²	76	90.4 Å²	90.4	29%	0.287	49%	0.486	S	S	.	.	S	Bend	trans	-93.9	141.4	171.8	-55.7	-173.2	-175.7	-141.3	-1.7	109.9	A63 V66 R237 R238	A63-R240 HydrophobicContact CB-CG 4.36Å; V66-R240 PolarHBondContact O-NH2 2.69Å; R237-R240 PolarHBondContact O-N 2.67Å; R238-R240 VanDerWaalsContact C-N 3.27Å
241	D	64.3	Low	66.3	Low	92 Å²	92	91 Å²	91	49%	0.492	51%	0.507	S	S	.	.			trans	-68.5	141.3	178.8	-81.5	-30.2	0	0	0	113.3	E61 E243	E61-D241 WeakPolarHBondContact CB-OD2 3.44Å; D241-E243 PolarHBondContact O-N 3.21Å; D241-E243 VanDerWaalsContact O-N 3.12Å
242	E	57.6	Low	64.1	Low	172 Å²	172	97 Å²	97	80%	0.804	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-7	-171.1	-61.9	-156	-179.7	0	0	115.3	D244	E242-D244 PolarHBondContact O-N 3.47Å
243	E	57.8	Low	61.9	Low	189 Å²	189	102.6 Å²	102.6	88%	0.883	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-21.2	-178.3	-164.3	166	-165.2	0	0	112.3	D241 G245	D241-E243 PolarHBondContact O-N 3.21Å; D241-E243 VanDerWaalsContact O-N 3.12Å; E243-G245 VanDerWaalsContact C-N 3.31Å; E243-G245 PolarHBondContact O-N 3.11Å
244	D	48.6	Very low	59.9	Low	70 Å²	70	106 Å²	106	37%	0.374	59%	0.589	S	S	.	*	S	Bend	trans	-84.5	62.4	175.6	-69.3	-50.1	0	0	0	112.7	R62 E242 T246	R62-D244 IonicContact CZ-OD1 3.74Å; R62-D244 VanDerWaalsContact CZ-OD1 3.3Å; R62-D244 IonicContact CZ-OD2 3.15Å; R62-D244 IonicContact NE-OD2 2.73Å; R62-D244 IonicContact NH1-OD1 3.92Å; R62-D244 PolarHBondContact NH1-OD1 3.42Å; R62-D244 IonicContact NH1-OD2 3.54Å; R62-D244 PolarHBondContact NH1-OD2 2.85Å; R62-D244 IonicContact NH2-OD1 2.79Å; R62-D244 PolarHBondContact NH2-OD1 2.9Å; R62-D244 IonicContact NH2-OD2 2.61Å; R62-D244 PolarHBondContact NH2-OD2 2.75Å; E242-D244 PolarHBondContact O-N 3.47Å; D244-T246 PolarHBondContact O-N 2.92Å; D244-T246 PolarHBondContact O-OG1 2.84Å
245	G	47.9	Very low	58.2	Low	76 Å²	76	114 Å²	114	78%	0.784	63%	0.626	S	S	*	*	S	Bend	trans	53.1	2.5	142.7	0	0	0	0	0	122	E243	E243-G245 VanDerWaalsContact C-N 3.31Å; E243-G245 PolarHBondContact O-N 3.11Å
246	T	46.6	Very low	56.6	Low	139 Å²	139	123 Å²	123	85%	0.853	66%	0.66	S	S	*	*			trans	-107.2	32.2	178.3	54.1	0	0	0	0	111.6	D244 N248	D244-T246 PolarHBondContact O-N 2.92Å; D244-T246 PolarHBondContact O-OG1 2.84Å; T246-N248 PolarHBondContact O-N 2.76Å
247	G	44	Very low	55.4	Low	66 Å²	66	122.5 Å²	122.5	68%	0.68	66%	0.662	S	S	*	*	S	Bend	trans	-69.6	118	165.9	0	0	0	0	0	109.8	A249	G247-A249 PolarHBondContact O-N 3.49Å
248	N	43.6	Very low	54.6	Low	126 Å²	126	124 Å²	124	67%	0.674	68%	0.676	S	S	*	*			trans	-33.1	111	177.6	-171.6	6.1	0	0	0	113.8	T246 E250	T246-N248 PolarHBondContact O-N 2.76Å; N248-E250 VanDerWaalsContact C-N 3.25Å; N248-E250 PolarHBondContact O-N 3.31Å; N248-E250 VanDerWaalsContact OD1-CG 3.31Å; N248-E250 WeakPolarHBondContact OD1-CG 3.14Å; N248-E250 PolarHBondContact OD1-N 2.9Å
249	A	42.3	Very low	54.2	Low	101 Å²	101	126.2 Å²	126.2	84%	0.835	69%	0.685	S	S	*	*			trans	-88.8	39.7	-179.7	0	0	0	0	0	112.8	G247	G247-A249 PolarHBondContact O-N 3.49Å
250	E	42	Very low	54	Low	171 Å²	171	130.2 Å²	130.2	80%	0.799	71%	0.706	S	S	*	*			trans	-96.3	91.3	175.1	-75.3	179.2	167.4	0	0	110.1	N248	N248-E250 VanDerWaalsContact C-N 3.25Å; N248-E250 PolarHBondContact O-N 3.31Å; N248-E250 VanDerWaalsContact OD1-CG 3.31Å; N248-E250 WeakPolarHBondContact OD1-CG 3.14Å; N248-E250 PolarHBondContact OD1-N 2.9Å
251	G	42.6	Very low	54.1	Low	74 Å²	74	129.9 Å²	129.9	76%	0.763	72%	0.715	S	S	*	*			trans	172.1	48.2	174.3	0	0	0	0	0	113.7
252	L	39.4	Very low	54.9	Low	176 Å²	176	130.1 Å²	130.1	92%	0.921	72%	0.716	S	S	*	*			trans	-142.4	54.3	178	-141.4	161.7	0	0	0	111.1
253	E	39.9	Very low	56.3	Low	177 Å²	177	128.3 Å²	128.3	83%	0.827	71%	0.707	S	S	*	*			trans	-107.5	122.3	174.5	-147.4	170.3	-160.2	0	0	108.9
254	D	48.7	Very low	57.9	Low	140 Å²	140	125 Å²	125	75%	0.749	69%	0.692	S	S	*	*			trans	71.3	75.5	159.3	-54.8	-17.1	0	0	0	120.3
255	Q	53.6	Low	59.9	Low	196 Å²	196	124.2 Å²	124.2	92%	0.916	70%	0.695	S	S	*	*			trans	-114.2	107.7	157.4	-161.9	155.8	86.9	0	0	109.3
256	Y	54	Low	62	Low	201 Å²	201	125.4 Å²	125.4	79%	0.788	68%	0.683	S	S	*	*			trans	-57.7	137.6	172.9	-77.5	-98.8	0	0	0	109.6	D258	Y256-D258 PolarHBondContact O-N 2.96Å
257	P	60.9	Low	64.2	Low	84 Å²	84	124.9 Å²	124.9	55%	0.545	67%	0.671	S	S	.	*			trans	-58.4	122.9	178.3	-23.5	33.7	0	0	0	111.3	Y259	P257-Y259 HydrophobicContact CB-CE1 4.23Å; P257-Y259 PolarHBondContact O-N 2.85Å
258	D	69.9	Low	66.6	Low	99 Å²	99	126.4 Å²	126.4	53%	0.529	66%	0.664	S	S	.	*			trans	-84.8	93.1	179.2	-172.9	-2.6	0	0	0	109.7	Y256 E260 C261 D262	Y256-D258 PolarHBondContact O-N 2.96Å; D258-E260 PolarHBondContact O-N 3.4Å; D258-E260 PolarHBondContact OD1-N 2.86Å; D258-C261 HydrophobicContact CB-CB 4.19Å; D258-C261 WeakPolarHBondContact O-CB 3.4Å; D258-C261 PolarHBondContact O-N 2.96Å; D258-D262 PolarHBondContact O-N 2.8Å
259	Y	73.7	Confident	69	Low	162 Å²	162	125.7 Å²	125.7	64%	0.635	66%	0.656	S	S	*	*	H	α-helix	trans	-63.6	-25.7	-176.5	-35.9	-76	0	0	0	113	P257 C261 D262 E263	P257-Y259 HydrophobicContact CB-CE1 4.23Å; P257-Y259 PolarHBondContact O-N 2.85Å; Y259-C261 VanDerWaalsContact C-N 3.34Å; Y259-D262 PolarHBondContact O-N 2.81Å; Y259-E263 PolarHBondContact O-N 3.22Å
260	E	78	Confident	71.5	Confident	147 Å²	147	126.9 Å²	126.9	69%	0.687	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-40	177.5	-68.4	-178.8	178.1	0	0	110	D258 D262 E263 E264	D258-E260 PolarHBondContact O-N 3.4Å; D258-E260 PolarHBondContact OD1-N 2.86Å; E260-D262 VanDerWaalsContact C-N 3.3Å; E260-D262 PolarHBondContact O-N 3.13Å; E260-E263 PolarHBondContact O-N 2.85Å; E260-E264 WeakPolarHBondContact O-CG 3.38Å; E260-E264 PolarHBondContact O-N 3.33Å
261	C	81.1	Confident	73.9	Confident	69 Å²	69	123 Å²	123	47%	0.466	63%	0.627	S	S	.	*	H	α-helix	trans	-63.6	-36.2	174	-169	0	0	0	0	112.1	D258 Y259 A265	D258-C261 HydrophobicContact CB-CB 4.19Å; D258-C261 WeakPolarHBondContact O-CB 3.4Å; D258-C261 PolarHBondContact O-N 2.96Å; Y259-C261 VanDerWaalsContact C-N 3.34Å; C261-A265 WeakPolarHBondContact O-CB 3.27Å; C261-A265 PolarHBondContact O-N 3.4Å
262	D	81.4	Confident	76.2	Confident	98 Å²	98	126.1 Å²	126.1	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-68.4	-39	176.7	-73.4	-16.7	0	0	0	112.3	D258 Y259 E260 A265 L266	D258-D262 PolarHBondContact O-N 2.8Å; Y259-D262 PolarHBondContact O-N 2.81Å; E260-D262 VanDerWaalsContact C-N 3.3Å; E260-D262 PolarHBondContact O-N 3.13Å; D262-A265 PolarHBondContact O-N 3.35Å; D262-L266 PolarHBondContact O-N 3.22Å; D262-L266 VanDerWaalsContact O-N 3.07Å
263	E	85.8	Confident	78.9	Confident	133 Å²	133	122.6 Å²	122.6	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-65.2	-45.9	173.9	-78.2	-175.2	177	0	0	111.6	Y259 E260 A265 L266 E267	Y259-E263 PolarHBondContact O-N 3.22Å; E260-E263 PolarHBondContact O-N 2.85Å; E263-A265 VanDerWaalsContact C-N 3.26Å; E263-A265 PolarHBondContact O-N 2.9Å; E263-L266 WeakPolarHBondContact O-CB 3.36Å; E263-L266 PolarHBondContact O-N 3.18Å; E263-L266 VanDerWaalsContact O-N 3.13Å; E263-E267 PolarHBondContact O-N 3.3Å
264	E	91.8	Very high	81.3	Confident	120 Å²	120	119.4 Å²	119.4	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-60.1	-37.5	174.3	-72.1	-175.7	179.7	0	0	111.7	E260 L266 E267 N268	E260-E264 WeakPolarHBondContact O-CG 3.38Å; E260-E264 PolarHBondContact O-N 3.33Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-E267 PolarHBondContact O-N 3.39Å; E264-N268 WeakPolarHBondContact O-CB 3.49Å; E264-N268 VanDerWaalsContact O-CG 3.22Å; E264-N268 PolarHBondContact O-N 2.93Å; E264-N268 PolarHBondContact O-ND2 2.92Å
265	A	90.4	Very high	83.2	Confident	54 Å²	54	118.5 Å²	118.5	45%	0.446	57%	0.572	S	S	.	*	H	α-helix	trans	-65.5	-36.8	176.8	0	0	0	0	0	112.3	C261 D262 E263 Q269	C261-A265 WeakPolarHBondContact O-CB 3.27Å; C261-A265 PolarHBondContact O-N 3.4Å; D262-A265 PolarHBondContact O-N 3.35Å; E263-A265 VanDerWaalsContact C-N 3.26Å; E263-A265 PolarHBondContact O-N 2.9Å; A265-Q269 WeakPolarHBondContact O-CB 3.42Å; A265-Q269 PolarHBondContact O-N 3.35Å
266	L	92.6	Very high	84.7	Confident	101 Å²	101	116.3 Å²	116.3	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-67.7	-45.6	174.9	-78.5	172.4	0	0	0	112	D262 E263 E264 N268 Q269 E270	D262-L266 PolarHBondContact O-N 3.22Å; D262-L266 VanDerWaalsContact O-N 3.07Å; E263-L266 WeakPolarHBondContact O-CB 3.36Å; E263-L266 PolarHBondContact O-N 3.18Å; E263-L266 VanDerWaalsContact O-N 3.13Å; E264-L266 VanDerWaalsContact C-N 3.34Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 3.15Å; L266-Q269 WeakPolarHBondContact O-CA 3.12Å; L266-Q269 WeakPolarHBondContact O-CB 3.03Å; L266-Q269 PolarHBondContact O-N 2.79Å; L266-Q269 VanDerWaalsContact O-N 3.08Å; L266-E270 PolarHBondContact O-N 3.4Å
267	E	93.3	Very high	86.4	Confident	128 Å²	128	114.5 Å²	114.5	60%	0.598	55%	0.549	S	S	*	.	H	α-helix	trans	-60.8	-43.4	175.6	-70.3	-174.4	171.5	0	0	111.5	E263 E264 Q269 E270 E271	E263-E267 PolarHBondContact O-N 3.3Å; E264-E267 PolarHBondContact O-N 3.39Å; E267-Q269 PolarHBondContact O-N 2.77Å; E267-E270 PolarHBondContact O-N 3.44Å; E267-E271 PolarHBondContact O-N 3.17Å
268	N	93.1	Very high	87.7	Confident	98 Å²	98	114.6 Å²	114.6	52%	0.524	54%	0.541	S	S	.	.	H	α-helix	trans	-60	-35.1	174.3	-77.3	-50.2	0	0	0	112.5	E264 L266 F272	E264-N268 WeakPolarHBondContact O-CB 3.49Å; E264-N268 VanDerWaalsContact O-CG 3.22Å; E264-N268 PolarHBondContact O-N 2.93Å; E264-N268 PolarHBondContact O-ND2 2.92Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 3.15Å; N268-F272 WeakPolarHBondContact O-CB 3.44Å; N268-F272 PolarHBondContact O-N 3.27Å
269	Q	94.5	Very high	88.4	Confident	110 Å²	110	115.5 Å²	115.5	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-68	-46.1	174.5	176.7	172.1	86.4	0	0	111.3	A265 L266 E267 E271 F272 E273	A265-Q269 WeakPolarHBondContact O-CB 3.42Å; A265-Q269 PolarHBondContact O-N 3.35Å; L266-Q269 WeakPolarHBondContact O-CA 3.12Å; L266-Q269 WeakPolarHBondContact O-CB 3.03Å; L266-Q269 PolarHBondContact O-N 2.79Å; L266-Q269 VanDerWaalsContact O-N 3.08Å; E267-Q269 PolarHBondContact O-N 2.77Å; Q269-E271 PolarHBondContact O-N 3.04Å; Q269-F272 WeakPolarHBondContact O-CB 3.37Å; Q269-F272 PolarHBondContact O-N 2.74Å; Q269-E273 WeakPolarHBondContact O-CG 3.07Å; Q269-E273 PolarHBondContact O-N 3.21Å
270	E	94.2	Very high	89	Confident	126 Å²	126	115.3 Å²	115.3	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-59.1	-47.4	176.2	-69.7	-175.2	178.4	0	0	111.4	L266 E267 F272 E273 E274	L266-E270 PolarHBondContact O-N 3.4Å; E267-E270 PolarHBondContact O-N 3.44Å; E270-F272 VanDerWaalsContact C-N 3.27Å; E270-F272 PolarHBondContact O-N 3.4Å; E270-E273 PolarHBondContact O-N 2.85Å; E270-E274 WeakPolarHBondContact O-CG 3.26Å; E270-E274 PolarHBondContact O-N 3.09Å
271	E	93.2	Very high	89.4	Confident	91 Å²	91	115.2 Å²	115.2	43%	0.425	54%	0.539	S	S	.	.	H	α-helix	trans	-59.1	-39.5	175.6	-74.9	-164.9	-175.2	0	0	112.4	E267 Q269 E274 K275	E267-E271 PolarHBondContact O-N 3.17Å; Q269-E271 PolarHBondContact O-N 3.04Å; E271-E274 PolarHBondContact O-N 2.85Å; E271-K275 WeakPolarHBondContact O-CB 3.3Å; E271-K275 WeakPolarHBondContact O-CD 3.2Å; E271-K275 WeakPolarHBondContact O-CG 3.31Å; E271-K275 PolarHBondContact O-N 3.31Å; E271-K275 IonicContact OE2-NZ 3.6Å; E271-K275 PolarHBondContact OE2-NZ 3.49Å
272	F	92	Very high	89.5	Confident	139 Å²	139	117.3 Å²	117.3	61%	0.61	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-43.6	177.5	175.9	-95.2	0	0	0	111.3	N268 Q269 E270 K275 Y276	N268-F272 WeakPolarHBondContact O-CB 3.44Å; N268-F272 PolarHBondContact O-N 3.27Å; Q269-F272 WeakPolarHBondContact O-CB 3.37Å; Q269-F272 PolarHBondContact O-N 2.74Å; E270-F272 VanDerWaalsContact C-N 3.27Å; E270-F272 PolarHBondContact O-N 3.4Å; F272-K275 PolarHBondContact O-N 2.87Å; F272-Y276 WeakPolarHBondContact O-CB 2.9Å; F272-Y276 PolarHBondContact O-N 3.5Å
273	E	94.6	Very high	89.8	Confident	102 Å²	102	118.9 Å²	118.9	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-42.3	175.9	-71.1	-171.2	-177.6	0	0	111.8	Q269 E270 Y276 R277	Q269-E273 WeakPolarHBondContact O-CG 3.07Å; Q269-E273 PolarHBondContact O-N 3.21Å; E270-E273 PolarHBondContact O-N 2.85Å; E273-Y276 PolarHBondContact O-N 2.9Å; E273-R277 VanDerWaalsContact O-CB 3.3Å; E273-R277 WeakPolarHBondContact O-CB 3.46Å; E273-R277 WeakPolarHBondContact O-CD 3.47Å; E273-R277 WeakPolarHBondContact O-CG 3.27Å; E273-R277 PolarHBondContact O-N 3.29Å
274	E	90.1	Very high	89.5	Confident	109 Å²	109	115.7 Å²	115.7	51%	0.509	55%	0.55	S	S	.	*	H	α-helix	trans	-62.5	-50.7	175	-71.3	-165.8	154.9	0	0	111.8	E270 E271 Y276 R277 F278	E270-E274 WeakPolarHBondContact O-CG 3.26Å; E270-E274 PolarHBondContact O-N 3.09Å; E271-E274 PolarHBondContact O-N 2.85Å; E274-Y276 PolarHBondContact O-N 3.45Å; E274-R277 PolarHBondContact O-N 2.92Å; E274-F278 HydrophobicContact CB-CD2 4.45Å; E274-F278 VanDerWaalsContact O-CD2 3.25Å; E274-F278 WeakPolarHBondContact O-CD2 3.31Å; E274-F278 PolarHBondContact O-N 3.17Å
275	K	88.2	Confident	88.9	Confident	121 Å²	121	111.9 Å²	111.9	53%	0.526	54%	0.539	S	S	.	.	H	α-helix	trans	-56	-39.2	176.3	-73.8	164.7	-168.2	156.7	0	111.1	E271 F272 R279	E271-K275 WeakPolarHBondContact O-CB 3.3Å; E271-K275 WeakPolarHBondContact O-CD 3.2Å; E271-K275 WeakPolarHBondContact O-CG 3.31Å; E271-K275 PolarHBondContact O-N 3.31Å; E271-K275 IonicContact OE2-NZ 3.6Å; E271-K275 PolarHBondContact OE2-NZ 3.49Å; F272-K275 PolarHBondContact O-N 2.87Å; K275-R279 WeakPolarHBondContact O-CA 3.34Å; K275-R279 WeakPolarHBondContact O-CB 3.45Å; K275-R279 PolarHBondContact O-N 3.17Å; K275-R279 VanDerWaalsContact O-N 3.09Å
276	Y	86.4	Confident	88.5	Confident	150 Å²	150	117 Å²	117	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-70.8	-46.5	176.8	-171.9	-93.7	0	0	0	112.9	F272 E273 E274 F278 R279	F272-Y276 WeakPolarHBondContact O-CB 2.9Å; F272-Y276 PolarHBondContact O-N 3.5Å; E273-Y276 PolarHBondContact O-N 2.9Å; E274-Y276 PolarHBondContact O-N 3.45Å; Y276-F278 VanDerWaalsContact C-N 3.31Å; Y276-F278 PolarHBondContact O-N 2.92Å; Y276-R279 WeakPolarHBondContact O-CB 3.39Å; Y276-R279 PolarHBondContact O-N 3.15Å
277	R	88.9	Confident	88.1	Confident	163 Å²	163	116.5 Å²	116.5	62%	0.615	56%	0.56	S	S	*	*	H	α-helix	trans	-61.1	-38	179.7	-76	166.3	64.9	-169.4	-2.1	112.3	E273 E274	E273-R277 VanDerWaalsContact O-CB 3.3Å; E273-R277 WeakPolarHBondContact O-CB 3.46Å; E273-R277 WeakPolarHBondContact O-CD 3.47Å; E273-R277 WeakPolarHBondContact O-CG 3.27Å; E273-R277 PolarHBondContact O-N 3.29Å; E274-R277 PolarHBondContact O-N 2.92Å
278	F	89.5	Confident	87.7	Confident	87 Å²	87	117.4 Å²	117.4	38%	0.382	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.2	7.7	-176.2	-62.8	-72.1	0	0	0	114	E274 Y276 F280 Q281 E282	E274-F278 HydrophobicContact CB-CD2 4.45Å; E274-F278 VanDerWaalsContact O-CD2 3.25Å; E274-F278 WeakPolarHBondContact O-CD2 3.31Å; E274-F278 PolarHBondContact O-N 3.17Å; Y276-F278 VanDerWaalsContact C-N 3.31Å; Y276-F278 PolarHBondContact O-N 2.92Å; F278-F280 PolarHBondContact O-N 3.43Å; F278-Q281 HydrophobicContact CD1-CB 4.4Å; F278-Q281 PolarHBondContact O-N 3.26Å; F278-E282 PolarHBondContact O-N 3.42Å; F278-E282 VanDerWaalsContact O-N 3.1Å
279	R	83.8	Confident	87.3	Confident	117 Å²	117	118.4 Å²	118.4	44%	0.442	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.3	-26.5	-177.5	-175.2	165.7	56.2	97	-0.7	115	K275 Y276 A285	K275-R279 WeakPolarHBondContact O-CA 3.34Å; K275-R279 WeakPolarHBondContact O-CB 3.45Å; K275-R279 PolarHBondContact O-N 3.17Å; K275-R279 VanDerWaalsContact O-N 3.09Å; Y276-R279 WeakPolarHBondContact O-CB 3.39Å; Y276-R279 PolarHBondContact O-N 3.15Å; R279-A285 WeakPolarHBondContact O-CB 3.49Å
280	F	86.1	Confident	87	Confident	158 Å²	158	118.8 Å²	118.8	69%	0.693	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-7.6	178.6	-60.3	-69.2	0	0	0	114.6	F278	F278-F280 PolarHBondContact O-N 3.43Å
281	Q	86.9	Confident	86.7	Confident	145 Å²	145	122.4 Å²	122.4	68%	0.678	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-20.4	179.9	-64.5	178.1	47.9	0	0	111.9	F278	F278-Q281 HydrophobicContact CD1-CB 4.4Å; F278-Q281 PolarHBondContact O-N 3.26Å
282	E	83.9	Confident	86.4	Confident	113 Å²	113	122.4 Å²	122.4	53%	0.528	60%	0.598	S	S	.	*	S	Bend	trans	-65.6	134.9	176.8	-166.1	179.9	176	0	0	110.8	F278 S284 A285	F278-E282 PolarHBondContact O-N 3.42Å; F278-E282 VanDerWaalsContact O-N 3.1Å; E282-S284 PolarHBondContact O-N 3.19Å; E282-A285 VanDerWaalsContact O-CB 3.22Å; E282-A285 WeakPolarHBondContact O-CB 3.38Å; E282-A285 PolarHBondContact O-N 2.68Å
283	P	85.9	Confident	86	Confident	132 Å²	132	128 Å²	128	86%	0.857	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-19.9	-179.4	-29.5	35.8	0	0	0	115.9
284	S	79.7	Confident	85.3	Confident	66 Å²	66	129 Å²	129	46%	0.462	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	1.2	-178.9	-55.8	0	0	0	0	114	E282 D286 V287	E282-S284 PolarHBondContact O-N 3.19Å; S284-D286 PolarHBondContact O-N 2.89Å; S284-D286 VanDerWaalsContact O-N 3.1Å; S284-V287 PolarHBondContact O-N 3.26Å
285	A	79.2	Confident	85.1	Confident	40 Å²	40	126.7 Å²	126.7	33%	0.331	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.8	-32.3	-173.5	0	0	0	0	0	114.3	R279 E282 V287	R279-A285 WeakPolarHBondContact O-CB 3.49Å; E282-A285 VanDerWaalsContact O-CB 3.22Å; E282-A285 WeakPolarHBondContact O-CB 3.38Å; E282-A285 PolarHBondContact O-N 2.68Å; A285-V287 VanDerWaalsContact C-N 3.33Å
286	D	82.5	Confident	84.8	Confident	160 Å²	160	130.8 Å²	130.8	86%	0.856	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-15.6	-177.9	-64.3	-21.9	0	0	0	113.2	S284	S284-D286 PolarHBondContact O-N 2.89Å; S284-D286 VanDerWaalsContact O-N 3.1Å
287	V	84.8	Confident	84.7	Confident	91 Å²	91	129 Å²	129	55%	0.552	64%	0.644	S	S	*	*			trans	-102.6	105.2	-174.8	-164.9	0	0	0	0	110	S284 A285 M289	S284-V287 PolarHBondContact O-N 3.26Å; A285-V287 VanDerWaalsContact C-N 3.33Å; V287-M289 HydrophobicContact CB-CE 3.53Å; V287-M289 HydrophobicContact CG1-CE 3.27Å; V287-M289 WeakPolarHBondContact O-CE 3.49Å; V287-M289 PolarHBondContact O-N 2.76Å; V287-M289 VanDerWaalsContact O-N 3.16Å
288	I	84.8	Confident	84.4	Confident	147 Å²	147	123.5 Å²	123.5	75%	0.754	63%	0.631	S	S	*	*			trans	-71.7	109.3	173.4	-57.6	173.7	0	0	0	108.7	T290	I288-T290 HydrophobicContact CG2-CG2 4.01Å; I288-T290 PolarHBondContact O-N 2.85Å; I288-T290 VanDerWaalsContact O-N 3.17Å
289	M	83.6	Confident	84.1	Confident	119 Å²	119	126.2 Å²	126.2	59%	0.586	66%	0.655	S	S	*	*			trans	-69	108.8	172.7	-62.7	-59.4	129.1	0	0	109.9	V287 Y291	V287-M289 HydrophobicContact CB-CE 3.53Å; V287-M289 HydrophobicContact CG1-CE 3.27Å; V287-M289 WeakPolarHBondContact O-CE 3.49Å; V287-M289 PolarHBondContact O-N 2.76Å; V287-M289 VanDerWaalsContact O-N 3.16Å; M289-Y291 HydrophobicContact CB-CE2 4.46Å
290	T	88.4	Confident	84.2	Confident	119 Å²	119	131 Å²	131	73%	0.73	67%	0.673	S	S	*	*			trans	-108	126.1	174.7	62.2	0	0	0	0	110.7	I288	I288-T290 HydrophobicContact CG2-CG2 4.01Å; I288-T290 PolarHBondContact O-N 2.85Å; I288-T290 VanDerWaalsContact O-N 3.17Å
291	Y	88	Confident	84.1	Confident	201 Å²	201	135 Å²	135	79%	0.788	68%	0.683	S	S	*	*			trans	-98.8	127.3	171.9	-59.2	-81.3	0	0	0	109.8	M289 R293	M289-Y291 HydrophobicContact CB-CE2 4.46Å; Y291-R293 PolarHBondContact O-N 3.36Å
292	P	88.2	Confident	83.9	Confident	92 Å²	92	134.2 Å²	134.2	60%	0.597	68%	0.677	S	S	*	*			trans	-63.6	129.9	172.5	26.8	-32.5	0	0	0	109.1	E294 P295	P292-E294 PolarHBondContact O-N 2.98Å; P292-P295 HydrophobicContact CG-CB 4.46Å
293	R	81.8	Confident	84	Confident	255 Å²	255	134.6 Å²	134.6	96%	0.962	68%	0.683	S	S	*	*	S	Bend	trans	-56.8	-32.5	179.4	-63.7	-179.6	-179.3	-139.6	-1.2	112.2	Y291	Y291-R293 PolarHBondContact O-N 3.36Å
294	E	81	Confident	84.1	Confident	124 Å²	124	131.2 Å²	131.2	58%	0.579	66%	0.658	S	S	*	*	S	Bend	trans	-128.2	105	172.6	-61	-174.3	163.5	0	0	108	P292 K302	P292-E294 PolarHBondContact O-N 2.98Å; E294-K302 WeakPolarHBondContact OE1-CE 3.47Å; E294-K302 IonicContact OE1-NZ 2.77Å; E294-K302 PolarHBondContact OE1-NZ 2.66Å; E294-K302 IonicContact OE2-NZ 3.91Å; E294-K302 PolarHBondContact OE2-NZ 3.33Å
295	P	85.8	Confident	84.7	Confident	60 Å²	60	137.5 Å²	137.5	39%	0.39	67%	0.671	S	S	.	*			trans	-70.2	133.2	171.3	15.7	-12.6	0	0	0	109.3	P292 S297 S298	P292-P295 HydrophobicContact CG-CB 4.46Å; P295-S297 PolarHBondContact O-N 2.8Å; P295-S297 VanDerWaalsContact O-N 3.15Å; P295-S298 WeakPolarHBondContact O-CB 3.32Å; P295-S298 PolarHBondContact O-N 3.2Å
296	E	82	Confident	85.3	Confident	208 Å²	208	144.3 Å²	144.3	97%	0.972	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-25.8	179.8	-63.9	179.7	178.8	0	0	112.6	S298	E296-S298 VanDerWaalsContact C-N 3.31Å
297	S	84.3	Confident	85.9	Confident	111 Å²	111	142.3 Å²	142.3	78%	0.776	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	0.7	176.2	59.7	0	0	0	0	114.4	P295 V299	P295-S297 PolarHBondContact O-N 2.8Å; P295-S297 VanDerWaalsContact O-N 3.15Å; S297-V299 PolarHBondContact O-N 3.39Å
298	S	82.2	Confident	86.3	Confident	48 Å²	48	145.7 Å²	145.7	34%	0.336	68%	0.675	S	S	.	*			trans	-71	117.5	-178.9	-174	0	0	0	0	111.7	P295 E296 R300	P295-S298 WeakPolarHBondContact O-CB 3.32Å; P295-S298 PolarHBondContact O-N 3.2Å; E296-S298 VanDerWaalsContact C-N 3.31Å; S298-R300 PolarHBondContact O-N 3.08Å; S298-R300 VanDerWaalsContact OG-CB 3.25Å; S298-R300 WeakPolarHBondContact OG-CB 3.48Å; S298-R300 VanDerWaalsContact OG-CG 3.26Å; S298-R300 WeakPolarHBondContact OG-CG 3.27Å; S298-R300 PolarHBondContact OG-N 2.82Å
299	V	83.2	Confident	86.8	Confident	145 Å²	145	141 Å²	141	88%	0.879	66%	0.659	S	S	*	*			trans	-78.5	1	169.2	-174.3	0	0	0	0	111.5	S297 R301	S297-V299 PolarHBondContact O-N 3.39Å; V299-R301 PolarHBondContact O-N 2.97Å
300	R	85.3	Confident	87.3	Confident	217 Å²	217	143.2 Å²	143.2	82%	0.819	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-63.6	127.4	-178.6	-62.7	176.7	-176.7	-113.5	1	109.9	S298 K302	S298-R300 PolarHBondContact O-N 3.08Å; S298-R300 VanDerWaalsContact OG-CB 3.25Å; S298-R300 WeakPolarHBondContact OG-CB 3.48Å; S298-R300 VanDerWaalsContact OG-CG 3.26Å; S298-R300 WeakPolarHBondContact OG-CG 3.27Å; S298-R300 PolarHBondContact OG-N 2.82Å; R300-K302 PolarHBondContact O-N 2.84Å
301	R	84.7	Confident	87.6	Confident	242 Å²	242	142.4 Å²	142.4	91%	0.913	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-64.9	130.6	170.8	-64.3	-175	177.5	105.5	0.1	108.6	V299	V299-R301 PolarHBondContact O-N 2.97Å
302	K	83.3	Confident	87.8	Confident	128 Å²	128	136.8 Å²	136.8	56%	0.557	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-70.8	136.1	170.8	-62.5	-164.6	-179.9	-162.4	0	108.9	E294 R300 D304	E294-K302 WeakPolarHBondContact OE1-CE 3.47Å; E294-K302 IonicContact OE1-NZ 2.77Å; E294-K302 PolarHBondContact OE1-NZ 2.66Å; E294-K302 IonicContact OE2-NZ 3.91Å; E294-K302 PolarHBondContact OE2-NZ 3.33Å; R300-K302 PolarHBondContact O-N 2.84Å; K302-D304 PolarHBondContact O-N 3.28Å; K302-D304 VanDerWaalsContact O-N 3.11Å
303	D	84.6	Confident	88	Confident	122 Å²	122	137 Å²	137	65%	0.652	63%	0.63	S	S	*	*			trans	-77.1	98.3	172.1	-169.4	-4.5	0	0	0	109.5	R305	D303-R305 VanDerWaalsContact OD1-CB 3.24Å; D303-R305 WeakPolarHBondContact OD1-CB 3.12Å; D303-R305 WeakPolarHBondContact OD1-CD 3.48Å; D303-R305 WeakPolarHBondContact OD1-CG 3.3Å; D303-R305 PolarHBondContact OD1-N 3.12Å
304	D	88.3	Confident	88.4	Confident	60 Å²	60	131.1 Å²	131.1	32%	0.321	61%	0.612	S	S	.	*			trans	-92.1	5.7	178.4	-67.4	-45.1	0	0	0	112.8	K302 R306 K307 R308	K302-D304 PolarHBondContact O-N 3.28Å; K302-D304 VanDerWaalsContact O-N 3.11Å; D304-R306 PolarHBondContact O-N 3.18Å; D304-K307 HydrophobicContact CB-CB 4.5Å; D304-K307 WeakPolarHBondContact O-CB 3.4Å; D304-K307 PolarHBondContact O-N 3.26Å; D304-R308 WeakPolarHBondContact O-CG 3.24Å; D304-R308 PolarHBondContact O-N 2.96Å
305	R	93.4	Very high	89	Confident	199 Å²	199	130.8 Å²	130.8	75%	0.751	61%	0.61	S	S	*	*	H	α-helix	trans	-53.9	-50.3	-175.9	-74.3	173.9	177.7	-167.8	1	112	D303 K307 R308 A309	D303-R305 VanDerWaalsContact OD1-CB 3.24Å; D303-R305 WeakPolarHBondContact OD1-CB 3.12Å; D303-R305 WeakPolarHBondContact OD1-CD 3.48Å; D303-R305 WeakPolarHBondContact OD1-CG 3.3Å; D303-R305 PolarHBondContact OD1-N 3.12Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-K307 PolarHBondContact O-N 2.92Å; R305-R308 PolarHBondContact O-N 3.17Å; R305-A309 PolarHBondContact O-N 3.44Å
306	R	92.2	Very high	89.4	Confident	183 Å²	183	136.3 Å²	136.3	69%	0.691	62%	0.623	S	S	*	*	H	α-helix	trans	-65.7	-34.5	178.2	-178.2	177	-94.6	-170.2	-5.1	112.5	D304 R310	D304-R306 PolarHBondContact O-N 3.18Å; R306-R310 VanDerWaalsContact O-CG 3.28Å; R306-R310 WeakPolarHBondContact O-CG 3.36Å; R306-R310 PolarHBondContact O-N 3.41Å; R306-R310 VanDerWaalsContact O-N 3.1Å
307	K	94.2	Very high	89.7	Confident	118 Å²	118	133.6 Å²	133.6	51%	0.513	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-47.2	176.9	-178	-177.6	172	-171.1	0	110.8	D304 R305 A309 R310 E311	D304-K307 HydrophobicContact CB-CB 4.5Å; D304-K307 WeakPolarHBondContact O-CB 3.4Å; D304-K307 PolarHBondContact O-N 3.26Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-K307 PolarHBondContact O-N 2.92Å; K307-A309 PolarHBondContact O-N 3.24Å; K307-R310 WeakPolarHBondContact O-CB 3.49Å; K307-R310 PolarHBondContact O-N 2.8Å; K307-E311 WeakPolarHBondContact CE-OE1 3.27Å; K307-E311 WeakPolarHBondContact O-CG 3.33Å; K307-E311 PolarHBondContact O-N 3.17Å
308	R	93.7	Very high	89.8	Confident	162 Å²	162	134 Å²	134	61%	0.611	60%	0.596	S	S	*	*	H	α-helix	trans	-60.8	-44.8	176.1	-67.8	178.2	-170.7	174.7	3.2	111.7	D304 R305 R310 E311 T312	D304-R308 WeakPolarHBondContact O-CG 3.24Å; D304-R308 PolarHBondContact O-N 2.96Å; R305-R308 PolarHBondContact O-N 3.17Å; R308-R310 VanDerWaalsContact C-N 3.29Å; R308-R310 PolarHBondContact O-N 2.79Å; R308-E311 PolarHBondContact O-N 2.98Å; R308-E311 VanDerWaalsContact O-N 3.11Å; R308-T312 WeakPolarHBondContact O-CG2 3.2Å; R308-T312 PolarHBondContact O-N 3.2Å; R308-T312 PolarHBondContact O-OG1 3.19Å
309	A	95.7	Very high	90.1	Very high	49 Å²	49	136.6 Å²	136.6	41%	0.405	61%	0.605	S	S	.	*	H	α-helix	trans	-59.9	-37.8	176.2	0	0	0	0	0	112.8	R305 K307 T312 L313	R305-A309 PolarHBondContact O-N 3.44Å; K307-A309 PolarHBondContact O-N 3.24Å; A309-T312 PolarHBondContact O-OG1 2.82Å; A309-L313 WeakPolarHBondContact O-CB 3.4Å; A309-L313 VanDerWaalsContact O-CG 3.31Å; A309-L313 WeakPolarHBondContact O-CG 3.4Å; A309-L313 PolarHBondContact O-N 3.35Å; A309-L313 VanDerWaalsContact O-N 3.1Å
310	R	94.1	Very high	90.3	Very high	165 Å²	165	135.5 Å²	135.5	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-67.9	-37.6	174.4	-72.1	169.8	177.8	-173.6	-1.9	112.2	R306 K307 R308 K314	R306-R310 VanDerWaalsContact O-CG 3.28Å; R306-R310 WeakPolarHBondContact O-CG 3.36Å; R306-R310 PolarHBondContact O-N 3.41Å; R306-R310 VanDerWaalsContact O-N 3.1Å; K307-R310 WeakPolarHBondContact O-CB 3.49Å; K307-R310 PolarHBondContact O-N 2.8Å; R308-R310 VanDerWaalsContact C-N 3.29Å; R308-R310 PolarHBondContact O-N 2.79Å; R310-K314 WeakPolarHBondContact O-CB 3.26Å; R310-K314 PolarHBondContact O-N 2.87Å
311	E	93.5	Very high	90.1	Very high	101 Å²	101	128 Å²	128	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-67.4	-45.6	177.4	-73	169.3	-178.1	0	0	111.5	K307 R308 L313 K314 E315	K307-E311 WeakPolarHBondContact CE-OE1 3.27Å; K307-E311 WeakPolarHBondContact O-CG 3.33Å; K307-E311 PolarHBondContact O-N 3.17Å; R308-E311 PolarHBondContact O-N 2.98Å; R308-E311 VanDerWaalsContact O-N 3.11Å; E311-L313 PolarHBondContact O-N 2.8Å; E311-K314 WeakPolarHBondContact O-CB 3.47Å; E311-K314 PolarHBondContact O-N 3.18Å; E311-E315 WeakPolarHBondContact O-CB 3.44Å; E311-E315 PolarHBondContact O-N 3.35Å
312	T	92.5	Very high	90	Very high	83 Å²	83	120.7 Å²	120.7	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-40.5	177.2	58.5	0	0	0	0	112.1	R308 A309 E315 R316	R308-T312 WeakPolarHBondContact O-CG2 3.2Å; R308-T312 PolarHBondContact O-N 3.2Å; R308-T312 PolarHBondContact O-OG1 3.19Å; A309-T312 PolarHBondContact O-OG1 2.82Å; T312-E315 PolarHBondContact O-N 2.9Å; T312-R316 WeakPolarHBondContact O-CB 3.46Å; T312-R316 PolarHBondContact O-N 3.33Å
313	L	91.8	Very high	90	Very high	97 Å²	97	121.8 Å²	121.8	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-62	-43.8	173.2	-77.3	171.7	0	0	0	111.8	A309 E311 E315 R316 K317	A309-L313 WeakPolarHBondContact O-CB 3.4Å; A309-L313 VanDerWaalsContact O-CG 3.31Å; A309-L313 WeakPolarHBondContact O-CG 3.4Å; A309-L313 PolarHBondContact O-N 3.35Å; A309-L313 VanDerWaalsContact O-N 3.1Å; E311-L313 PolarHBondContact O-N 2.8Å; L313-E315 VanDerWaalsContact C-N 3.31Å; L313-E315 PolarHBondContact O-N 3.37Å; L313-R316 PolarHBondContact O-N 2.91Å; L313-K317 WeakPolarHBondContact O-CG 3.48Å; L313-K317 PolarHBondContact O-N 3.1Å
314	K	91.1	Very high	89.8	Confident	132 Å²	132	118.8 Å²	118.8	57%	0.574	52%	0.523	S	S	*	.	H	α-helix	trans	-64.2	-38.1	177.5	-173.4	179.1	-175.5	178.8	0	111.6	R310 E311 K318	R310-K314 WeakPolarHBondContact O-CB 3.26Å; R310-K314 PolarHBondContact O-N 2.87Å; E311-K314 WeakPolarHBondContact O-CB 3.47Å; E311-K314 PolarHBondContact O-N 3.18Å; K314-K318 VanDerWaalsContact O-CG 3.25Å; K314-K318 WeakPolarHBondContact O-CG 3.38Å; K314-K318 PolarHBondContact O-N 3.22Å; K314-K318 VanDerWaalsContact O-N 3.13Å
315	E	92.7	Very high	89.4	Confident	117 Å²	117	119.9 Å²	119.9	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-67.8	-46.7	175.8	-175.1	170.3	-162.6	0	0	111.7	E311 T312 L313 K317 K318 I319	E311-E315 WeakPolarHBondContact O-CB 3.44Å; E311-E315 PolarHBondContact O-N 3.35Å; T312-E315 PolarHBondContact O-N 2.9Å; L313-E315 VanDerWaalsContact C-N 3.31Å; L313-E315 PolarHBondContact O-N 3.37Å; E315-K317 VanDerWaalsContact C-N 3.35Å; E315-K317 PolarHBondContact O-N 2.86Å; E315-K318 WeakPolarHBondContact O-CB 3.33Å; E315-K318 PolarHBondContact O-N 3.5Å; E315-K318 VanDerWaalsContact O-N 3.07Å; E315-I319 HydrophobicContact CG-CD1 3.87Å; E315-I319 HydrophobicContact CG-CG1 4.45Å; E315-I319 WeakPolarHBondContact O-CG1 3.3Å; E315-I319 PolarHBondContact O-N 2.94Å
316	R	93.8	Very high	89	Confident	176 Å²	176	115.9 Å²	115.9	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-53.8	-49.9	173.9	179.7	179.4	171.7	-178.7	-2.1	111.6	T312 L313 K318 I319 E320	T312-R316 WeakPolarHBondContact O-CB 3.46Å; T312-R316 PolarHBondContact O-N 3.33Å; L313-R316 PolarHBondContact O-N 2.91Å; R316-K318 VanDerWaalsContact C-N 3.3Å; R316-K318 PolarHBondContact O-N 3.49Å; R316-I319 PolarHBondContact O-N 3.44Å; R316-E320 WeakPolarHBondContact O-CB 3.25Å; R316-E320 PolarHBondContact O-N 3.4Å
317	K	90	Very high	88.6	Confident	151 Å²	151	108.6 Å²	108.6	66%	0.657	49%	0.49	S	S	*	.	H	α-helix	trans	-60.6	-37.3	177.7	-72.3	-175.7	177.4	-166.7	0	112.4	L313 E315 Q321	L313-K317 WeakPolarHBondContact O-CG 3.48Å; L313-K317 PolarHBondContact O-N 3.1Å; E315-K317 VanDerWaalsContact C-N 3.35Å; E315-K317 PolarHBondContact O-N 2.86Å; K317-Q321 VanDerWaalsContact O-CB 3.31Å; K317-Q321 WeakPolarHBondContact O-CB 3.48Å; K317-Q321 PolarHBondContact O-N 2.84Å
318	K	85.4	Confident	88	Confident	118 Å²	118	103.5 Å²	103.5	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-42.9	175.5	-74.3	169.9	175.8	-174.6	0	112.3	K314 E315 R316 Q321 I322	K314-K318 VanDerWaalsContact O-CG 3.25Å; K314-K318 WeakPolarHBondContact O-CG 3.38Å; K314-K318 PolarHBondContact O-N 3.22Å; K314-K318 VanDerWaalsContact O-N 3.13Å; E315-K318 WeakPolarHBondContact O-CB 3.33Å; E315-K318 PolarHBondContact O-N 3.5Å; E315-K318 VanDerWaalsContact O-N 3.07Å; R316-K318 VanDerWaalsContact C-N 3.3Å; R316-K318 PolarHBondContact O-N 3.49Å; K318-Q321 PolarHBondContact O-N 2.87Å; K318-I322 WeakPolarHBondContact O-CB 3.43Å; K318-I322 VanDerWaalsContact O-CG1 3.24Å; K318-I322 WeakPolarHBondContact O-CG1 3.39Å; K318-I322 PolarHBondContact O-N 3.11Å
319	I	88.7	Confident	87.4	Confident	103 Å²	103	102 Å²	102	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-45.5	178.4	-68.4	166.2	0	0	0	110	E315 R316 Q321 I322 R323	E315-I319 HydrophobicContact CG-CD1 3.87Å; E315-I319 HydrophobicContact CG-CG1 4.45Å; E315-I319 WeakPolarHBondContact O-CG1 3.3Å; E315-I319 PolarHBondContact O-N 2.94Å; R316-I319 PolarHBondContact O-N 3.44Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 3.5Å; I319-I322 PolarHBondContact O-N 3.08Å; I319-R323 WeakPolarHBondContact O-CB 3.26Å; I319-R323 PolarHBondContact O-N 3.02Å
320	E	88	Confident	86.9	Confident	122 Å²	122	103.2 Å²	103.2	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-42.7	175.9	-175.3	172.3	-173.9	0	0	111.8	R316 R323 R324	R316-E320 WeakPolarHBondContact O-CB 3.25Å; R316-E320 PolarHBondContact O-N 3.4Å; E320-R323 PolarHBondContact O-N 3.41Å; E320-R324 WeakPolarHBondContact O-CB 3.36Å; E320-R324 PolarHBondContact O-N 3.25Å
321	Q	80.1	Confident	86.3	Confident	60 Å²	60	95.8 Å²	95.8	28%	0.28	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.7	-175.5	64.8	1.2	0	0	112.5	K317 K318 I319 R324 Q325	K317-Q321 VanDerWaalsContact O-CB 3.31Å; K317-Q321 WeakPolarHBondContact O-CB 3.48Å; K317-Q321 PolarHBondContact O-N 2.84Å; K318-Q321 PolarHBondContact O-N 2.87Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 3.5Å; Q321-R324 PolarHBondContact O-N 3.47Å; Q321-Q325 WeakPolarHBondContact O-CB 3.44Å; Q321-Q325 VanDerWaalsContact O-CG 3.29Å; Q321-Q325 WeakPolarHBondContact O-CG 3.39Å; Q321-Q325 PolarHBondContact O-N 3.31Å
322	I	83.1	Confident	85.7	Confident	88 Å²	88	92.9 Å²	92.9	45%	0.451	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-47.3	177	-70.7	164.1	0	0	0	109.9	K318 I319 R324 Q325 E326	K318-I322 WeakPolarHBondContact O-CB 3.43Å; K318-I322 VanDerWaalsContact O-CG1 3.24Å; K318-I322 WeakPolarHBondContact O-CG1 3.39Å; K318-I322 PolarHBondContact O-N 3.11Å; I319-I322 PolarHBondContact O-N 3.08Å; I322-R324 VanDerWaalsContact C-N 3.34Å; I322-R324 PolarHBondContact O-N 3.06Å; I322-Q325 WeakPolarHBondContact O-CB 3.39Å; I322-Q325 PolarHBondContact O-N 3.36Å; I322-Q325 VanDerWaalsContact O-N 3.14Å; I322-E326 HydrophobicContact CG2-CG 4.4Å; I322-E326 WeakPolarHBondContact O-CG 3.31Å; I322-E326 PolarHBondContact O-N 3.16Å
323	R	84	Confident	85.3	Confident	151 Å²	151	92.5 Å²	92.5	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-58.8	-44.3	176.5	-176.9	-176.9	173.6	169	6.8	111.7	I319 E320 Q325 E326 E327	I319-R323 WeakPolarHBondContact O-CB 3.26Å; I319-R323 PolarHBondContact O-N 3.02Å; E320-R323 PolarHBondContact O-N 3.41Å; R323-Q325 VanDerWaalsContact C-N 3.33Å; R323-Q325 PolarHBondContact O-N 3.38Å; R323-E326 PolarHBondContact O-N 2.88Å; R323-E327 IonicContact CZ-OE1 3.99Å; R323-E327 IonicContact NE-OE1 3.45Å; R323-E327 PolarHBondContact NE-OE1 3.23Å; R323-E327 IonicContact NH2-OE1 2.63Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 3.06Å
324	R	79.8	Confident	85.1	Confident	59 Å²	59	88.4 Å²	88.4	22%	0.223	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-42.5	175.8	-175.9	169.1	-177.8	176.2	-4	111.4	Y43 Y47 E320 Q321 I322 E327 L328 G452 N453	Y43-R324 HydrophobicContact CE1-CG 3.83Å; Y47-R324 PolarHBondContact OH-NH2 2.89Å; Y47-R324 VanDerWaalsContact OH-NH2 3.08Å; E320-R324 WeakPolarHBondContact O-CB 3.36Å; E320-R324 PolarHBondContact O-N 3.25Å; Q321-R324 PolarHBondContact O-N 3.47Å; I322-R324 VanDerWaalsContact C-N 3.34Å; I322-R324 PolarHBondContact O-N 3.06Å; R324-E327 PolarHBondContact O-N 3.2Å; R324-L328 HydrophobicContact CG-CD1 4.24Å; R324-L328 WeakPolarHBondContact O-CB 3.42Å; R324-L328 VanDerWaalsContact O-CG 3.26Å; R324-L328 WeakPolarHBondContact O-CG 3.34Å; R324-L328 PolarHBondContact O-N 3.2Å; R324-G452 PolarHBondContact NH1-O 3.02Å; R324-G452 VanDerWaalsContact NH1-O 3.16Å; R324-G452 PolarHBondContact NH2-O 3.33Å; R324-N453 PolarHBondContact NH1-OD1 3.05Å
325	Q	80.6	Confident	84.7	Confident	83 Å²	83	84 Å²	84	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-38.3	175.7	-73	177.9	0.3	0	0	112.5	Q321 I322 R323 K329	Q321-Q325 WeakPolarHBondContact O-CB 3.44Å; Q321-Q325 VanDerWaalsContact O-CG 3.29Å; Q321-Q325 WeakPolarHBondContact O-CG 3.39Å; Q321-Q325 PolarHBondContact O-N 3.31Å; I322-Q325 WeakPolarHBondContact O-CB 3.39Å; I322-Q325 PolarHBondContact O-N 3.36Å; I322-Q325 VanDerWaalsContact O-N 3.14Å; R323-Q325 VanDerWaalsContact C-N 3.33Å; R323-Q325 PolarHBondContact O-N 3.38Å; Q325-K329 WeakPolarHBondContact O-CB 3.27Å; Q325-K329 VanDerWaalsContact O-CG 3.23Å; Q325-K329 WeakPolarHBondContact O-CG 3.33Å; Q325-K329 PolarHBondContact O-N 2.85Å
326	E	83.6	Confident	84.1	Confident	115 Å²	115	79.6 Å²	79.6	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-66.8	-45.6	175.2	-72.8	172.8	175.2	0	0	112	I322 R323 L328 K329 L330	I322-E326 HydrophobicContact CG2-CG 4.4Å; I322-E326 WeakPolarHBondContact O-CG 3.31Å; I322-E326 PolarHBondContact O-N 3.16Å; R323-E326 PolarHBondContact O-N 2.88Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 3.16Å; E326-K329 PolarHBondContact O-N 2.84Å; E326-L330 WeakPolarHBondContact O-CB 3.11Å; E326-L330 PolarHBondContact O-N 2.64Å
327	E	84.9	Confident	83.6	Confident	30 Å²	30	76.5 Å²	76.5	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-40.2	175.4	-71.8	-170.6	-156.9	0	0	111	L39 K42 Y43 R323 R324 L330 L331	L39-E327 HydrophobicContact CD2-CB 3.89Å; L39-E327 HydrophobicContact CD2-CG 4.32Å; K42-E327 IonicContact NZ-OE1 2.91Å; K42-E327 IonicContact NZ-OE2 2.78Å; K42-E327 PolarHBondContact NZ-OE2 3.34Å; Y43-E327 HydrophobicContact CE2-CB 3.69Å; Y43-E327 VanDerWaalsContact OH-CB 3.31Å; Y43-E327 WeakPolarHBondContact OH-CB 3.48Å; Y43-E327 PolarHBondContact OH-OE2 2.9Å; R323-E327 IonicContact CZ-OE1 3.99Å; R323-E327 IonicContact NE-OE1 3.45Å; R323-E327 PolarHBondContact NE-OE1 3.23Å; R323-E327 IonicContact NH2-OE1 2.63Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 3.06Å; R324-E327 PolarHBondContact O-N 3.2Å; E327-L330 PolarHBondContact O-N 3.42Å; E327-L331 WeakPolarHBondContact O-CB 3.32Å; E327-L331 PolarHBondContact O-N 3.42Å
328	L	80.1	Confident	83.4	Confident	11 Å²	11	72.3 Å²	72.3	6%	0.058	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-41.4	173.3	-74.6	172.3	0	0	0	112.6	Y43 Y47 R324 E326 L330 L331 K332	Y43-L328 HydrophobicContact CD1-CD2 3.84Å; Y43-L328 HydrophobicContact CD1-CG 4.35Å; Y43-L328 HydrophobicContact CD2-CD2 4.12Å; Y43-L328 HydrophobicContact CE1-CD2 4.27Å; Y43-L328 HydrophobicContact CE1-CG 4.3Å; Y43-L328 HydrophobicContact CG-CD2 3.76Å; Y47-L328 HydrophobicContact CD1-CD2 4.05Å; Y47-L328 HydrophobicContact CE1-CD1 4.25Å; Y47-L328 HydrophobicContact CE1-CD2 4.28Å; R324-L328 HydrophobicContact CG-CD1 4.24Å; R324-L328 WeakPolarHBondContact O-CB 3.42Å; R324-L328 VanDerWaalsContact O-CG 3.26Å; R324-L328 WeakPolarHBondContact O-CG 3.34Å; R324-L328 PolarHBondContact O-N 3.2Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 3.16Å; L328-L330 VanDerWaalsContact C-N 3.32Å; L328-L330 PolarHBondContact O-N 3.19Å; L328-L331 PolarHBondContact O-N 2.81Å; L328-K332 WeakPolarHBondContact O-CB 3.38Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.4Å; L328-K332 PolarHBondContact O-N 3.15Å
329	K	82.7	Confident	83.2	Confident	130 Å²	130	70.6 Å²	70.6	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-62.6	-40.6	174.4	-77.9	173	-177	-178.8	0	111.2	Q325 E326 K332 N333	Q325-K329 WeakPolarHBondContact O-CB 3.27Å; Q325-K329 VanDerWaalsContact O-CG 3.23Å; Q325-K329 WeakPolarHBondContact O-CG 3.33Å; Q325-K329 PolarHBondContact O-N 2.85Å; E326-K329 PolarHBondContact O-N 2.84Å; K329-K332 PolarHBondContact O-N 3.05Å; K329-N333 WeakPolarHBondContact O-CB 3.48Å; K329-N333 VanDerWaalsContact O-CG 3.25Å; K329-N333 PolarHBondContact O-N 3.37Å; K329-N333 PolarHBondContact O-ND2 3.16Å
330	L	84.2	Confident	82.9	Confident	76 Å²	76	70.3 Å²	70.3	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-48.1	174.7	-179.1	59.9	0	0	0	110.6	L39 E326 E327 L328 K332 N333 L334	L39-L330 HydrophobicContact CD1-CB 4.28Å; L39-L330 HydrophobicContact CD1-CD2 3.94Å; L39-L330 HydrophobicContact CD1-CG 3.88Å; E326-L330 WeakPolarHBondContact O-CB 3.11Å; E326-L330 PolarHBondContact O-N 2.64Å; E327-L330 PolarHBondContact O-N 3.42Å; L328-L330 VanDerWaalsContact C-N 3.32Å; L328-L330 PolarHBondContact O-N 3.19Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 2.97Å; L330-N333 PolarHBondContact O-N 3.48Å; L330-L334 HydrophobicContact CD1-CD1 4.49Å; L330-L334 HydrophobicContact CD1-CG 4.2Å; L330-L334 HydrophobicContact CG-CD1 4.32Å; L330-L334 HydrophobicContact CG-CG 4.39Å; L330-L334 WeakPolarHBondContact O-CB 2.94Å; L330-L334 VanDerWaalsContact O-CG 3.3Å; L330-L334 WeakPolarHBondContact O-CG 3.39Å; L330-L334 PolarHBondContact O-N 2.85Å
331	L	82.7	Confident	82.8	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-45.7	175.2	177.4	58.1	0	0	0	111.7	L36 L39 Y43 E327 L328 L334 K335	L36-L331 HydrophobicContact CD1-CD1 3.72Å; L39-L331 HydrophobicContact CB-CB 4.19Å; L39-L331 HydrophobicContact CB-CD1 3.9Å; L39-L331 HydrophobicContact CB-CG 4.42Å; L39-L331 HydrophobicContact CD1-CB 4.15Å; Y43-L331 HydrophobicContact CD2-CD2 4.41Å; E327-L331 WeakPolarHBondContact O-CB 3.32Å; E327-L331 PolarHBondContact O-N 3.42Å; L328-L331 PolarHBondContact O-N 2.81Å; L331-L334 PolarHBondContact O-N 2.81Å; L331-K335 HydrophobicContact CD1-CG 4.43Å; L331-K335 PolarHBondContact O-N 3.34Å
332	K	80.5	Confident	82.9	Confident	40 Å²	40	71.8 Å²	71.8	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-49.2	175.7	-71.1	175	179.1	-171.9	0	111.1	L328 K329 L330 L334 K335 K336 Y442	L328-K332 WeakPolarHBondContact O-CB 3.38Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.4Å; L328-K332 PolarHBondContact O-N 3.15Å; K329-K332 PolarHBondContact O-N 3.05Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 2.97Å; K332-L334 VanDerWaalsContact C-N 3.29Å; K332-L334 PolarHBondContact O-N 3.49Å; K332-K335 PolarHBondContact O-N 3.32Å; K332-K336 WeakPolarHBondContact O-CG 3.15Å; K332-K336 PolarHBondContact O-N 3.26Å; K332-Y442 HydrophobicContact CB-CD1 4.44Å; K332-Y442 HydrophobicContact CB-CD2 4.32Å; K332-Y442 HydrophobicContact CB-CE1 4.07Å; K332-Y442 HydrophobicContact CB-CE2 3.99Å; K332-Y442 HydrophobicContact CD-CD1 3.83Å; K332-Y442 HydrophobicContact CD-CD2 4.02Å; K332-Y442 HydrophobicContact CD-CE1 4.31Å; K332-Y442 HydrophobicContact CD-CG 3.68Å; K332-Y442 HydrophobicContact CG-CD1 3.74Å; K332-Y442 HydrophobicContact CG-CD2 4.27Å; K332-Y442 HydrophobicContact CG-CE1 3.72Å; K332-Y442 HydrophobicContact CG-CE2 4.3Å; K332-Y442 HydrophobicContact CG-CG 4.03Å; K332-Y442 PolarHBondContact O-OH 2.85Å
333	N	84.2	Confident	82.8	Confident	76 Å²	76	72.4 Å²	72.4	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-32.6	177.1	-70.6	-14.7	0	0	0	113.1	K329 L330 K337	K329-N333 WeakPolarHBondContact O-CB 3.48Å; K329-N333 VanDerWaalsContact O-CG 3.25Å; K329-N333 PolarHBondContact O-N 3.37Å; K329-N333 PolarHBondContact O-ND2 3.16Å; L330-N333 PolarHBondContact O-N 3.48Å; N333-K337 WeakPolarHBondContact O-CG 3.36Å; N333-K337 PolarHBondContact O-N 2.84Å
334	L	87	Confident	82.7	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-43.1	174	-67.8	-175.4	0	0	0	111.4	R32 E35 L36 L39 L330 L331 K332 E338	R32-L334 HydrophobicContact CG-CD2 3.99Å; R32-L334 PolarHBondContact NH2-O 2.87Å; E35-L334 HydrophobicContact CB-CD1 4.03Å; L36-L334 HydrophobicContact CB-CD1 4.18Å; L36-L334 HydrophobicContact CD1-CB 3.71Å; L39-L334 HydrophobicContact CD1-CD1 4.05Å; L330-L334 HydrophobicContact CD1-CD1 4.49Å; L330-L334 HydrophobicContact CD1-CG 4.2Å; L330-L334 HydrophobicContact CG-CD1 4.32Å; L330-L334 HydrophobicContact CG-CG 4.39Å; L330-L334 WeakPolarHBondContact O-CB 2.94Å; L330-L334 VanDerWaalsContact O-CG 3.3Å; L330-L334 WeakPolarHBondContact O-CG 3.39Å; L330-L334 PolarHBondContact O-N 2.85Å; L331-L334 PolarHBondContact O-N 2.81Å; K332-L334 VanDerWaalsContact C-N 3.29Å; K332-L334 PolarHBondContact O-N 3.49Å; L334-E338 PolarHBondContact O-N 2.97Å; L334-E338 VanDerWaalsContact O-N 3.15Å
335	K	81.8	Confident	82.8	Confident	40 Å²	40	74.2 Å²	74.2	17%	0.174	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-41.4	172.9	-72.8	-166.6	175.2	-172.9	0	111.8	L36 D45 L331 K332 K337 E338 I339	L36-K335 HydrophobicContact CD1-CG 4.07Å; D45-K335 IonicContact OD1-NZ 3.16Å; L331-K335 HydrophobicContact CD1-CG 4.43Å; L331-K335 PolarHBondContact O-N 3.34Å; K332-K335 PolarHBondContact O-N 3.32Å; K335-K337 PolarHBondContact O-N 3.48Å; K335-E338 WeakPolarHBondContact O-CB 3.12Å; K335-E338 PolarHBondContact O-N 3.49Å; K335-I339 WeakPolarHBondContact O-CG1 3.4Å; K335-I339 PolarHBondContact O-N 2.71Å
336	K	81.7	Confident	82.7	Confident	24 Å²	24	75.7 Å²	75.7	10%	0.104	36%	0.357	C	S	.	.	H	α-helix	trans	-52.8	-53.5	175.4	-74.7	179.9	178.4	-173.9	0	112	K332 E338 I339 Q340 E435 M438 Y442	K332-K336 WeakPolarHBondContact O-CG 3.15Å; K332-K336 PolarHBondContact O-N 3.26Å; K336-E338 VanDerWaalsContact C-N 3.32Å; K336-E338 PolarHBondContact O-N 3.44Å; K336-I339 WeakPolarHBondContact O-CB 3.23Å; K336-I339 PolarHBondContact O-N 3.41Å; K336-I339 VanDerWaalsContact O-N 3.17Å; K336-Q340 WeakPolarHBondContact O-CG 3.37Å; K336-Q340 PolarHBondContact O-N 2.87Å; K336-E435 IonicContact NZ-OE1 2.65Å; K336-M438 HydrophobicContact CB-SD 4.49Å; K336-M438 HydrophobicContact CD-CE 3.83Å; K336-M438 HydrophobicContact CD-SD 3.4Å; K336-M438 WeakPolarHBondContact CD-SD 3.47Å; K336-M438 WeakPolarHBondContact CE-SD 3.34Å; K336-M438 HydrophobicContact CG-SD 3.73Å; K336-M438 VanDerWaalsContact NZ-CE 3.28Å; K336-Y442 HydrophobicContact CD-CE2 4.34Å; K336-Y442 VanDerWaalsContact CE-CE2 3.44Å; K336-Y442 HydrophobicContact CG-CE2 4.05Å; K336-Y442 WeakPolarHBondContact CG-OH 3.14Å
337	K	83.3	Confident	82.4	Confident	111 Å²	111	76.9 Å²	76.9	48%	0.483	36%	0.356	S	S	.	.	H	α-helix	trans	-72.8	-24.8	-178.4	-30.8	151.3	154.5	-176.8	0	112.8	R32 N333 K335 I339 Q340 E341	R32-K337 VanDerWaalsContact CZ-CD 3.47Å; R32-K337 VanDerWaalsContact NH2-CD 3.31Å; N333-K337 WeakPolarHBondContact O-CG 3.36Å; N333-K337 PolarHBondContact O-N 2.84Å; K335-K337 PolarHBondContact O-N 3.48Å; K337-I339 VanDerWaalsContact C-N 3.35Å; K337-Q340 PolarHBondContact O-N 3.43Å; K337-E341 WeakPolarHBondContact O-CB 3.35Å; K337-E341 VanDerWaalsContact O-CG 3.27Å; K337-E341 WeakPolarHBondContact O-CG 3.29Å; K337-E341 PolarHBondContact O-N 3.35Å
338	E	84.2	Confident	82.2	Confident	64 Å²	64	81.8 Å²	81.8	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-41.3	169.2	-172.5	-169.1	160.1	0	0	111.1	L36 L334 K335 K336 E341 K342	L36-E338 WeakPolarHBondContact CD2-OE2 3.28Å; L334-E338 PolarHBondContact O-N 2.97Å; L334-E338 VanDerWaalsContact O-N 3.15Å; K335-E338 WeakPolarHBondContact O-CB 3.12Å; K335-E338 PolarHBondContact O-N 3.49Å; K336-E338 VanDerWaalsContact C-N 3.32Å; K336-E338 PolarHBondContact O-N 3.44Å; E338-E341 PolarHBondContact O-N 3.41Å; E338-K342 VanDerWaalsContact O-CG 3.31Å; E338-K342 WeakPolarHBondContact O-CG 3.48Å; E338-K342 PolarHBondContact O-N 2.84Å; E338-K342 WeakPolarHBondContact OE1-CE 3.47Å; E338-K342 IonicContact OE1-NZ 3.02Å; E338-K342 PolarHBondContact OE1-NZ 3.07Å
339	I	81.3	Confident	82.1	Confident	82 Å²	82	85.2 Å²	85.2	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-44.9	175.4	-66	164.3	0	0	0	110.1	K335 K336 K337 E341 K342 L343	K335-I339 WeakPolarHBondContact O-CG1 3.4Å; K335-I339 PolarHBondContact O-N 2.71Å; K336-I339 WeakPolarHBondContact O-CB 3.23Å; K336-I339 PolarHBondContact O-N 3.41Å; K336-I339 VanDerWaalsContact O-N 3.17Å; K337-I339 VanDerWaalsContact C-N 3.35Å; I339-E341 PolarHBondContact O-N 3.13Å; I339-K342 WeakPolarHBondContact O-CB 3.41Å; I339-K342 PolarHBondContact O-N 3.46Å; I339-L343 HydrophobicContact CG2-CD1 4.13Å; I339-L343 HydrophobicContact CG2-CG 4.47Å; I339-L343 WeakPolarHBondContact O-CG 3.39Å; I339-L343 PolarHBondContact O-N 3.33Å
340	Q	83.4	Confident	81.7	Confident	97 Å²	97	82.2 Å²	82.2	45%	0.453	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-43.2	176.4	-70.5	176.1	-44.6	0	0	112.6	K336 K337 K342 L343 E344	K336-Q340 WeakPolarHBondContact O-CG 3.37Å; K336-Q340 PolarHBondContact O-N 2.87Å; K337-Q340 PolarHBondContact O-N 3.43Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 3.38Å; Q340-L343 WeakPolarHBondContact O-CB 3.31Å; Q340-L343 PolarHBondContact O-N 2.81Å; Q340-E344 PolarHBondContact O-N 3.14Å
341	E	84.6	Confident	80.7	Confident	100 Å²	100	82 Å²	82	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-38.1	174.9	-76.1	170.9	-158.9	0	0	111.9	R32 K337 E338 I339 E344 K345	R32-E341 IonicContact NE-OE1 2.76Å; K337-E341 WeakPolarHBondContact O-CB 3.35Å; K337-E341 VanDerWaalsContact O-CG 3.27Å; K337-E341 WeakPolarHBondContact O-CG 3.29Å; K337-E341 PolarHBondContact O-N 3.35Å; E338-E341 PolarHBondContact O-N 3.41Å; I339-E341 PolarHBondContact O-N 3.13Å; E341-E344 PolarHBondContact O-N 3.17Å; E341-K345 WeakPolarHBondContact O-CB 3.42Å; E341-K345 PolarHBondContact O-N 2.85Å
342	K	82.6	Confident	79.3	Confident	113 Å²	113	84 Å²	84	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-66.1	-42	173.9	-74.2	174.2	-174.6	169.9	0	111.5	E338 I339 Q340 K345 L346	E338-K342 VanDerWaalsContact O-CG 3.31Å; E338-K342 WeakPolarHBondContact O-CG 3.48Å; E338-K342 PolarHBondContact O-N 2.84Å; E338-K342 WeakPolarHBondContact OE1-CE 3.47Å; E338-K342 IonicContact OE1-NZ 3.02Å; E338-K342 PolarHBondContact OE1-NZ 3.07Å; I339-K342 WeakPolarHBondContact O-CB 3.41Å; I339-K342 PolarHBondContact O-N 3.46Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 3.38Å; K342-K345 WeakPolarHBondContact O-CB 3.29Å; K342-K345 PolarHBondContact O-N 3.08Å; K342-L346 WeakPolarHBondContact O-CG 3.47Å; K342-L346 PolarHBondContact O-N 2.88Å
343	L	80.9	Confident	78	Confident	101 Å²	101	89.6 Å²	89.6	53%	0.529	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-43.9	174.6	-72.2	169.8	0	0	0	111.3	I339 Q340 K345 L346 R347	I339-L343 HydrophobicContact CG2-CD1 4.13Å; I339-L343 HydrophobicContact CG2-CG 4.47Å; I339-L343 WeakPolarHBondContact O-CG 3.39Å; I339-L343 PolarHBondContact O-N 3.33Å; Q340-L343 WeakPolarHBondContact O-CB 3.31Å; Q340-L343 PolarHBondContact O-N 2.81Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 2.92Å; L343-L346 PolarHBondContact O-N 3.4Å; L343-R347 WeakPolarHBondContact O-CB 3.41Å; L343-R347 PolarHBondContact O-N 3.15Å
344	E	82.3	Confident	76.4	Confident	91 Å²	91	88.5 Å²	88.5	43%	0.425	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-38.5	175.9	-165.2	-163.6	156.6	0	0	111.7	Q340 E341 R347 K348	Q340-E344 PolarHBondContact O-N 3.14Å; E341-E344 PolarHBondContact O-N 3.17Å; E344-R347 WeakPolarHBondContact O-CB 3.43Å; E344-R347 PolarHBondContact O-N 3.18Å; E344-K348 WeakPolarHBondContact O-CG 3.41Å; E344-K348 PolarHBondContact O-N 2.95Å; E344-K348 WeakPolarHBondContact OE1-CE 3.49Å; E344-K348 IonicContact OE1-NZ 3.03Å; E344-K348 PolarHBondContact OE1-NZ 3.26Å
345	K	81.3	Confident	74.8	Confident	157 Å²	157	92.1 Å²	92.1	68%	0.683	49%	0.489	S	S	*	.	H	α-helix	trans	-64.9	-41.7	174.5	-173.1	-179.5	179.3	-176.1	0	111.7	E341 K342 L343 K348 A349	E341-K345 WeakPolarHBondContact O-CB 3.42Å; E341-K345 PolarHBondContact O-N 2.85Å; K342-K345 WeakPolarHBondContact O-CB 3.29Å; K342-K345 PolarHBondContact O-N 3.08Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 2.92Å; K345-K348 PolarHBondContact O-N 3.42Å; K345-A349 WeakPolarHBondContact O-CB 3.36Å; K345-A349 PolarHBondContact O-N 3.01Å
346	L	79.1	Confident	73.4	Confident	113 Å²	113	92.8 Å²	92.8	59%	0.592	49%	0.494	S	S	*	.	H	α-helix	trans	-63.1	-43.3	173.7	-71.8	173.1	0	0	0	111	K342 L343 K348 A349 A350	K342-L346 WeakPolarHBondContact O-CG 3.47Å; K342-L346 PolarHBondContact O-N 2.88Å; L343-L346 PolarHBondContact O-N 3.4Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 2.87Å; L346-A349 PolarHBondContact O-N 3.32Å; L346-A349 VanDerWaalsContact O-N 3.17Å; L346-A350 VanDerWaalsContact O-CB 3.31Å; L346-A350 WeakPolarHBondContact O-CB 3.24Å; L346-A350 PolarHBondContact O-N 3.28Å
347	R	77	Confident	72.1	Confident	140 Å²	140	95.7 Å²	95.7	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-56.6	-44.6	174.1	-166.7	-169.4	81.1	128.1	6	111.8	L343 E344	L343-R347 WeakPolarHBondContact O-CB 3.41Å; L343-R347 PolarHBondContact O-N 3.15Å; E344-R347 WeakPolarHBondContact O-CB 3.43Å; E344-R347 PolarHBondContact O-N 3.18Å
348	K	80.7	Confident	71.1	Confident	134 Å²	134	97.2 Å²	97.2	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-67.3	-39.7	176.5	-72.2	173.7	-175.4	167.3	0	112.6	E344 K345 L346 G351	E344-K348 WeakPolarHBondContact O-CG 3.41Å; E344-K348 PolarHBondContact O-N 2.95Å; E344-K348 WeakPolarHBondContact OE1-CE 3.49Å; E344-K348 IonicContact OE1-NZ 3.03Å; E344-K348 PolarHBondContact OE1-NZ 3.26Å; K345-K348 PolarHBondContact O-N 3.42Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 2.87Å; K348-G351 PolarHBondContact O-N 2.88Å
349	A	78.4	Confident	70	Confident	83 Å²	83	100.3 Å²	100.3	69%	0.686	53%	0.534	S	S	*	.	H	α-helix	trans	-73.8	-32.7	-178.9	0	0	0	0	0	112.9	K345 L346 G351	K345-A349 WeakPolarHBondContact O-CB 3.36Å; K345-A349 PolarHBondContact O-N 3.01Å; L346-A349 PolarHBondContact O-N 3.32Å; L346-A349 VanDerWaalsContact O-N 3.17Å; A349-G351 PolarHBondContact O-N 3.46Å; A349-G351 VanDerWaalsContact O-N 3.15Å
350	A	74.8	Confident	69.1	Low	66 Å²	66	99.3 Å²	99.3	55%	0.545	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.3	175.1	0	0	0	0	0	112.3	L346 A352	L346-A350 VanDerWaalsContact O-CB 3.31Å; L346-A350 WeakPolarHBondContact O-CB 3.24Å; L346-A350 PolarHBondContact O-N 3.28Å; A350-A352 PolarHBondContact O-N 2.93Å
351	G	63.2	Low	68.2	Low	72 Å²	72	101.5 Å²	101.5	74%	0.742	54%	0.542	S	S	*	.			trans	69.5	-25.9	173.2	0	0	0	0	0	114.4	K348 A349	K348-G351 PolarHBondContact O-N 2.88Å; A349-G351 PolarHBondContact O-N 3.46Å; A349-G351 VanDerWaalsContact O-N 3.15Å
352	A	53.2	Low	67.4	Low	51 Å²	51	101.1 Å²	101.1	42%	0.421	54%	0.54	S	S	.	.	S	Bend	trans	-84.6	131.1	163.3	0	0	0	0	0	108.1	A350 C354	A350-A352 PolarHBondContact O-N 2.93Å; A352-C354 PolarHBondContact O-N 3.38Å
353	E	51.9	Low	66.9	Low	157 Å²	157	100 Å²	100	73%	0.734	54%	0.535	S	S	*	.			trans	-48.7	94	136.4	-72.8	172.5	176	0	0	104.7	P355	E353-P355 WeakPolarHBondContact O-CD 3.42Å; E353-P355 WeakPolarHBondContact O-CG 3.12Å
354	C	50.9	Low	66.8	Low	52 Å²	52	99.6 Å²	99.6	35%	0.351	53%	0.533	S	S	.	.			trans	-57.9	110	173.8	-165.1	0	0	0	0	103.6	A352 I356	A352-C354 PolarHBondContact O-N 3.38Å; C354-I356 PolarHBondContact O-N 3.01Å; C354-I356 WeakPolarHBondContact SG-CD1 3.44Å; C354-I356 WeakPolarHBondContact SG-CG1 3.34Å
355	P	54.4	Low	66.9	Low	86 Å²	86	102.4 Å²	102.4	56%	0.558	54%	0.544	S	S	*	.			trans	-71.5	5.2	-178.8	-14.6	32.7	0	0	0	110.9	E353 D357	E353-P355 WeakPolarHBondContact O-CD 3.42Å; E353-P355 WeakPolarHBondContact O-CG 3.12Å; P355-D357 PolarHBondContact O-N 3.36Å
356	I	52.5	Low	67.1	Low	54 Å²	54	98.5 Å²	98.5	28%	0.277	53%	0.531	S	S	.	.			trans	-64.7	86.2	162.2	-51.4	179.8	0	0	0	107.2	C354 E360 L361 M377	C354-I356 PolarHBondContact O-N 3.01Å; C354-I356 WeakPolarHBondContact SG-CD1 3.44Å; C354-I356 WeakPolarHBondContact SG-CG1 3.34Å; I356-E360 HydrophobicContact CG2-CB 4.32Å; I356-L361 HydrophobicContact CG2-CD1 3.49Å; I356-L361 VanDerWaalsContact CG2-CD1 3.49Å; I356-M377 HydrophobicContact CD1-CE 3.72Å; I356-M377 HydrophobicContact CD1-SD 3.79Å; I356-M377 HydrophobicContact CG1-CE 4.11Å; I356-M377 HydrophobicContact CG1-SD 3.7Å
357	D	55.1	Low	67.4	Low	86 Å²	86	96.5 Å²	96.5	46%	0.46	53%	0.525	S	S	.	.			trans	-54.9	144.9	162.1	-163.2	-7.2	0	0	0	107.6	P355 Q359 E360	P355-D357 PolarHBondContact O-N 3.36Å; D357-Q359 HydrophobicContact CB-CB 4.33Å; D357-Q359 PolarHBondContact O-N 3.24Å; D357-E360 PolarHBondContact O-N 2.93Å
358	E	60.6	Low	67.9	Low	142 Å²	142	95 Å²	95	66%	0.664	53%	0.527	S	S	*	.	H	α-helix	trans	-54.6	-26.1	176.7	-65.8	175.9	-174.5	0	0	110.5	E360	E358-E360 VanDerWaalsContact C-N 3.32Å; E358-E360 PolarHBondContact O-N 3.38Å
359	Q	62.4	Low	68	Low	129 Å²	129	93.3 Å²	93.3	60%	0.603	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-25.7	173.7	-55.4	-170.8	-9.5	0	0	114.8	D357 K363	D357-Q359 HydrophobicContact CB-CB 4.33Å; D357-Q359 PolarHBondContact O-N 3.24Å; Q359-K363 WeakPolarHBondContact O-CG 3.38Å
360	E	62.1	Low	68.2	Low	62 Å²	62	92.3 Å²	92.3	29%	0.29	50%	0.503	S	S	.	.	H	α-helix	trans	-85.9	-31.9	179.5	-82.4	176.2	165.9	0	0	112.9	I356 D357 E358 E362 K363 Q373	I356-E360 HydrophobicContact CG2-CB 4.32Å; D357-E360 PolarHBondContact O-N 2.93Å; E358-E360 VanDerWaalsContact C-N 3.32Å; E358-E360 PolarHBondContact O-N 3.38Å; E360-E362 PolarHBondContact O-N 3.3Å; E360-E362 VanDerWaalsContact O-N 3.15Å; E360-K363 HydrophobicContact CG-CD 3.97Å; E360-K363 VanDerWaalsContact CG-NZ 3.26Å; E360-K363 PolarHBondContact O-N 2.96Å; E360-K363 IonicContact OE1-NZ 2.77Å; E360-K363 PolarHBondContact OE1-NZ 3.27Å; E360-K363 VanDerWaalsContact OE1-NZ 3.16Å; E360-Q373 PolarHBondContact OE2-NE2 2.88Å
361	L	65	Low	68.6	Low	142 Å²	142	94.1 Å²	94.1	74%	0.743	50%	0.503	S	S	*	.	H	α-helix	trans	-59.3	-25.6	171.9	-131.5	82.3	0	0	0	112.2	I356	I356-L361 HydrophobicContact CG2-CD1 3.49Å; I356-L361 VanDerWaalsContact CG2-CD1 3.49Å
362	E	67.4	Low	69.7	Low	92 Å²	92	98.7 Å²	98.7	43%	0.43	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.4	179	-63.3	-175.5	174.7	0	0	114.2	E360 R425	E360-E362 PolarHBondContact O-N 3.3Å; E360-E362 VanDerWaalsContact O-N 3.15Å; E362-R425 PolarHBondContact O-NH2 3.36Å
363	K	72.3	Confident	70.9	Confident	90 Å²	90	98.9 Å²	98.9	39%	0.391	49%	0.49	S	S	.	.	S	Bend	trans	-77.4	150.4	174	-68.7	176.9	-165.8	168.7	0	109.8	Q359 E360 F365	Q359-K363 WeakPolarHBondContact O-CG 3.38Å; E360-K363 HydrophobicContact CG-CD 3.97Å; E360-K363 VanDerWaalsContact CG-NZ 3.26Å; E360-K363 PolarHBondContact O-N 2.96Å; E360-K363 IonicContact OE1-NZ 2.77Å; E360-K363 PolarHBondContact OE1-NZ 3.27Å; E360-K363 VanDerWaalsContact OE1-NZ 3.16Å; K363-F365 PolarHBondContact O-N 3.06Å
364	D	77.9	Confident	72.2	Confident	92 Å²	92	94.7 Å²	94.7	49%	0.492	47%	0.471	S	S	.	.			trans	-60.4	132.8	172.9	-76.3	-31.4	0	0	0	108.6	D366 Y414 K418	D364-D366 PolarHBondContact O-N 3.37Å; D364-Y414 PolarHBondContact OD1-OH 3.18Å; D364-K418 IonicContact OD1-NZ 2.78Å; D364-K418 WeakPolarHBondContact OD2-CE 3.28Å; D364-K418 IonicContact OD2-NZ 2.75Å; D364-K418 PolarHBondContact OD2-NZ 3.28Å
365	F	85	Confident	73.5	Confident	150 Å²	150	99.3 Å²	99.3	66%	0.658	49%	0.487	S	S	*	.			trans	-62.9	101.5	179.1	-178.8	-94.8	0	0	0	110.2	K363 P367 H370	K363-F365 PolarHBondContact O-N 3.06Å; F365-P367 HydrophobicContact CE1-CG 4.42Å; F365-H370 HydrophobicContact CD2-CB 4.42Å; F365-H370 HydrophobicContact CE2-CB 3.93Å; F365-H370 AromaticContact CE2-CD2 3.44Å; F365-H370 VanDerWaalsContact CE2-CD2 3.44Å; F365-H370 WeakPolarHBondContact CE2-CD2 3.29Å; F365-H370 AromaticContact CE2-CG 3.47Å; F365-H370 VanDerWaalsContact CE2-CG 3.47Å; F365-H370 AromaticContact CE2-ND1 3.87Å; F365-H370 AromaticContact CE2-NE2 3.79Å; F365-H370 HydrophobicContact CZ-CB 4.29Å; F365-H370 AromaticContact CZ-CG 3.97Å
366	D	85.6	Confident	74.8	Confident	76 Å²	76	102.4 Å²	102.4	41%	0.406	49%	0.494	S	S	.	.			trans	-98.7	115.9	171.6	-171	-22.4	0	0	0	108.4	D364 D368 E369 H370	D364-D366 PolarHBondContact O-N 3.37Å; D366-D368 PolarHBondContact O-N 3.13Å; D366-D368 VanDerWaalsContact O-N 3.16Å; D366-D368 PolarHBondContact OD1-N 3.33Å; D366-E369 HydrophobicContact CB-CB 4.14Å; D366-E369 HydrophobicContact CB-CG 4.23Å; D366-E369 PolarHBondContact O-N 2.98Å; D366-H370 VanDerWaalsContact O-CB 3.27Å; D366-H370 WeakPolarHBondContact O-CB 3.49Å; D366-H370 PolarHBondContact O-N 2.84Å
367	P	85.5	Confident	75.7	Confident	71 Å²	71	102.2 Å²	102.2	46%	0.461	49%	0.493	S	S	.	.	H	α-helix	trans	-51.8	-38.4	-178.4	-25.2	32.6	0	0	0	113.4	F365 D371	F365-P367 HydrophobicContact CE1-CG 4.42Å; P367-D371 WeakPolarHBondContact O-CB 3.43Å; P367-D371 PolarHBondContact O-N 2.76Å
368	D	87.7	Confident	77	Confident	108 Å²	108	101.1 Å²	101.1	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-79.8	-29.6	-174.8	-69.4	-13	0	0	0	112.7	D366 R372	D366-D368 PolarHBondContact O-N 3.13Å; D366-D368 VanDerWaalsContact O-N 3.16Å; D366-D368 PolarHBondContact OD1-N 3.33Å; D368-R372 PolarHBondContact O-N 3.42Å; D368-R372 PolarHBondContact O-NE 3.01Å
369	E	83.2	Confident	77.8	Confident	99 Å²	99	97.6 Å²	97.6	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-77	-41.3	171.4	-69.4	-162.7	155.6	0	0	110.6	D366 R372 Q373	D366-E369 HydrophobicContact CB-CB 4.14Å; D366-E369 HydrophobicContact CB-CG 4.23Å; D366-E369 PolarHBondContact O-N 2.98Å; E369-R372 WeakPolarHBondContact O-CB 3.44Å; E369-R372 PolarHBondContact O-N 3.4Å; E369-Q373 WeakPolarHBondContact O-CB 3.24Å; E369-Q373 PolarHBondContact O-N 3.25Å
370	H	82.3	Confident	78.5	Confident	62 Å²	62	97.9 Å²	97.9	29%	0.287	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-48.4	176.3	179.3	-93.7	0	0	0	111.1	F365 D366 R372 Q373 M374	F365-H370 HydrophobicContact CD2-CB 4.42Å; F365-H370 HydrophobicContact CE2-CB 3.93Å; F365-H370 AromaticContact CE2-CD2 3.44Å; F365-H370 VanDerWaalsContact CE2-CD2 3.44Å; F365-H370 WeakPolarHBondContact CE2-CD2 3.29Å; F365-H370 AromaticContact CE2-CG 3.47Å; F365-H370 VanDerWaalsContact CE2-CG 3.47Å; F365-H370 AromaticContact CE2-ND1 3.87Å; F365-H370 AromaticContact CE2-NE2 3.79Å; F365-H370 HydrophobicContact CZ-CB 4.29Å; F365-H370 AromaticContact CZ-CG 3.97Å; D366-H370 VanDerWaalsContact O-CB 3.27Å; D366-H370 WeakPolarHBondContact O-CB 3.49Å; D366-H370 PolarHBondContact O-N 2.84Å; H370-R372 VanDerWaalsContact C-N 3.27Å; H370-R372 PolarHBondContact O-N 3.15Å; H370-Q373 WeakPolarHBondContact O-CB 3.42Å; H370-Q373 PolarHBondContact O-N 2.83Å; H370-M374 VanDerWaalsContact CE1-CG 3.4Å; H370-M374 WeakPolarHBondContact CE1-CG 3.25Å; H370-M374 WeakPolarHBondContact O-CB 3.44Å; H370-M374 WeakPolarHBondContact O-CG 3.36Å; H370-M374 PolarHBondContact O-N 3.22Å
371	D	83.3	Confident	79.2	Confident	103 Å²	103	101.6 Å²	101.6	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-60.6	-38.2	176.7	-79.7	-3.4	0	0	0	111.7	P367 H375	P367-D371 WeakPolarHBondContact O-CB 3.43Å; P367-D371 PolarHBondContact O-N 2.76Å; D371-H375 VanDerWaalsContact O-CB 3.27Å; D371-H375 WeakPolarHBondContact O-CB 3Å; D371-H375 PolarHBondContact O-N 2.78Å
372	R	85.4	Confident	79.5	Confident	168 Å²	168	101 Å²	101	63%	0.634	48%	0.482	S	S	*	.	H	α-helix	trans	-62.8	-47.8	172.8	-95	-177.6	-84.7	177.1	-7.3	112.4	D368 E369 H370 H375 E376	D368-R372 PolarHBondContact O-N 3.42Å; D368-R372 PolarHBondContact O-NE 3.01Å; E369-R372 WeakPolarHBondContact O-CB 3.44Å; E369-R372 PolarHBondContact O-N 3.4Å; H370-R372 VanDerWaalsContact C-N 3.27Å; H370-R372 PolarHBondContact O-N 3.15Å; R372-H375 PolarHBondContact O-N 3.07Å; R372-E376 PolarHBondContact O-N 3.42Å
373	Q	79.2	Confident	79.9	Confident	55 Å²	55	104.5 Å²	104.5	26%	0.257	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-46.3	177.1	-115.3	-175.8	-27.2	0	0	111.5	E360 E369 H370 H375 E376 M377	E360-Q373 PolarHBondContact OE2-NE2 2.88Å; E369-Q373 WeakPolarHBondContact O-CB 3.24Å; E369-Q373 PolarHBondContact O-N 3.25Å; H370-Q373 WeakPolarHBondContact O-CB 3.42Å; H370-Q373 PolarHBondContact O-N 2.83Å; Q373-H375 VanDerWaalsContact C-N 3.28Å; Q373-H375 PolarHBondContact O-N 3.13Å; Q373-E376 PolarHBondContact O-N 2.85Å; Q373-M377 VanDerWaalsContact O-CB 3.31Å; Q373-M377 WeakPolarHBondContact O-CB 3.43Å; Q373-M377 VanDerWaalsContact O-CG 3.26Å; Q373-M377 WeakPolarHBondContact O-CG 3.49Å; Q373-M377 PolarHBondContact O-N 3.33Å
374	M	78.9	Confident	79.9	Confident	69 Å²	69	104 Å²	104	34%	0.34	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-41	176.9	-69.5	-61.9	-71.2	0	0	110.5	H370 E376 F378	H370-M374 VanDerWaalsContact CE1-CG 3.4Å; H370-M374 WeakPolarHBondContact CE1-CG 3.25Å; H370-M374 WeakPolarHBondContact O-CB 3.44Å; H370-M374 WeakPolarHBondContact O-CG 3.36Å; H370-M374 PolarHBondContact O-N 3.22Å; M374-E376 VanDerWaalsContact C-N 3.31Å; M374-E376 PolarHBondContact O-N 3.47Å; M374-F378 HydrophobicContact CB-CD2 4.45Å; M374-F378 HydrophobicContact CE-CD2 3.61Å; M374-F378 HydrophobicContact CE-CE2 3.23Å; M374-F378 HydrophobicContact CE-CZ 4.22Å; M374-F378 VanDerWaalsContact O-CB 3.3Å; M374-F378 WeakPolarHBondContact O-CB 3.49Å; M374-F378 VanDerWaalsContact O-CD2 3.26Å; M374-F378 WeakPolarHBondContact O-CD2 3.32Å; M374-F378 PolarHBondContact O-N 2.85Å; M374-F378 HydrophobicContact SD-CD2 4.11Å; M374-F378 HydrophobicContact SD-CE2 3.69Å
375	H	78.2	Confident	78.8	Confident	149 Å²	149	105.6 Å²	105.6	69%	0.69	50%	0.504	S	S	*	.	H	α-helix	trans	-67.9	-31.4	177.7	-149.4	-51.6	0	0	0	113.1	D371 R372 Q373	D371-H375 VanDerWaalsContact O-CB 3.27Å; D371-H375 WeakPolarHBondContact O-CB 3Å; D371-H375 PolarHBondContact O-N 2.78Å; R372-H375 PolarHBondContact O-N 3.07Å; Q373-H375 VanDerWaalsContact C-N 3.28Å; Q373-H375 PolarHBondContact O-N 3.13Å
376	E	81.3	Confident	77.1	Confident	152 Å²	152	107.8 Å²	107.8	71%	0.71	51%	0.513	S	S	*	.	H	α-helix	trans	-78.1	-41	176.3	-173.7	135.2	-163.3	0	0	112.2	R372 Q373 M374 N379	R372-E376 PolarHBondContact O-N 3.42Å; Q373-E376 PolarHBondContact O-N 2.85Å; M374-E376 VanDerWaalsContact C-N 3.31Å; M374-E376 PolarHBondContact O-N 3.47Å; E376-N379 PolarHBondContact O-ND2 3.2Å
377	M	72.1	Confident	75.5	Confident	49 Å²	49	108.9 Å²	108.9	24%	0.241	52%	0.523	C	S	.	.	H	α-helix	trans	-67.5	-43	176	-74.8	176.3	57.8	0	0	112.6	I356 Q373	I356-M377 HydrophobicContact CD1-CE 3.72Å; I356-M377 HydrophobicContact CD1-SD 3.79Å; I356-M377 HydrophobicContact CG1-CE 4.11Å; I356-M377 HydrophobicContact CG1-SD 3.7Å; Q373-M377 VanDerWaalsContact O-CB 3.31Å; Q373-M377 WeakPolarHBondContact O-CB 3.43Å; Q373-M377 VanDerWaalsContact O-CG 3.26Å; Q373-M377 WeakPolarHBondContact O-CG 3.49Å; Q373-M377 PolarHBondContact O-N 3.33Å
378	F	80.9	Confident	73.7	Confident	63 Å²	63	112.2 Å²	112.2	28%	0.276	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	55.6	-179.3	-59.3	-78.9	0	0	0	110	M374 Y382 Y383	M374-F378 HydrophobicContact CB-CD2 4.45Å; M374-F378 HydrophobicContact CE-CD2 3.61Å; M374-F378 HydrophobicContact CE-CE2 3.23Å; M374-F378 HydrophobicContact CE-CZ 4.22Å; M374-F378 VanDerWaalsContact O-CB 3.3Å; M374-F378 WeakPolarHBondContact O-CB 3.49Å; M374-F378 VanDerWaalsContact O-CD2 3.26Å; M374-F378 WeakPolarHBondContact O-CD2 3.32Å; M374-F378 PolarHBondContact O-N 2.85Å; M374-F378 HydrophobicContact SD-CD2 4.11Å; M374-F378 HydrophobicContact SD-CE2 3.69Å; F378-Y382 HydrophobicContact CB-CD1 4.45Å; F378-Y382 AromaticContact CD1-CD1 3.68Å; F378-Y382 HydrophobicContact CD1-CD1 3.68Å; F378-Y382 HydrophobicContact CD1-CD2 4.21Å; F378-Y382 AromaticContact CD1-CE1 3.53Å; F378-Y382 HydrophobicContact CD1-CE1 3.53Å; F378-Y382 HydrophobicContact CD1-CE2 4.06Å; F378-Y382 HydrophobicContact CD1-CG 4.03Å; F378-Y382 AromaticContact CD1-CZ 3.72Å; F378-Y382 AromaticContact CE1-CE1 3.99Å; F378-Y382 HydrophobicContact CE1-CE1 3.99Å; F378-Y382 HydrophobicContact CE1-CE2 4.02Å; F378-Y382 AromaticContact CE1-CZ 3.72Å; F378-Y383 HydrophobicContact CB-CE2 4.06Å; F378-Y383 VanDerWaalsContact O-CE2 3.29Å; F378-Y383 WeakPolarHBondContact O-CE2 3.33Å
379	N	78	Confident	72	Confident	68 Å²	68	116.6 Å²	116.6	36%	0.364	55%	0.554	S	S	.	*			trans	-77.7	178.2	177.3	62.9	20.3	0	0	0	112.1	E376 E381 Y382 Y383	E376-N379 PolarHBondContact O-ND2 3.2Å; N379-E381 PolarHBondContact O-N 3.03Å; N379-E381 VanDerWaalsContact O-N 3.16Å; N379-E381 WeakPolarHBondContact OD1-CA 3.44Å; N379-E381 WeakPolarHBondContact OD1-CB 3.42Å; N379-E381 PolarHBondContact OD1-N 3.48Å; N379-E381 VanDerWaalsContact OD1-N 3.08Å; N379-Y382 WeakPolarHBondContact O-CB 3.31Å; N379-Y382 PolarHBondContact O-N 3.1Å; N379-Y382 VanDerWaalsContact O-N 3.09Å; N379-Y382 PolarHBondContact OD1-N 2.9Å; N379-Y383 WeakPolarHBondContact O-CD2 3.4Å; N379-Y383 PolarHBondContact O-N 2.97Å
380	D	77.4	Confident	70.5	Confident	135 Å²	135	120.8 Å²	120.8	72%	0.722	57%	0.571	S	S	*	*	H	α-helix	trans	-59.8	-25	177.6	-69.4	-20.3	0	0	0	112.6	S384	D380-S384 WeakPolarHBondContact O-CA 3.24Å; D380-S384 WeakPolarHBondContact O-CB 3.33Å; D380-S384 PolarHBondContact O-N 3.35Å; D380-S384 PolarHBondContact O-OG 3.49Å
381	E	75.8	Confident	69	Low	141 Å²	141	127.1 Å²	127.1	66%	0.659	60%	0.598	S	S	*	*	H	α-helix	trans	-68	-43.7	175	-167.2	73.1	-154.1	0	0	110.9	N379 Y383 S384 H385	N379-E381 PolarHBondContact O-N 3.03Å; N379-E381 VanDerWaalsContact O-N 3.16Å; N379-E381 WeakPolarHBondContact OD1-CA 3.44Å; N379-E381 WeakPolarHBondContact OD1-CB 3.42Å; N379-E381 PolarHBondContact OD1-N 3.48Å; N379-E381 VanDerWaalsContact OD1-N 3.08Å; E381-Y383 PolarHBondContact O-N 3.37Å; E381-S384 PolarHBondContact O-N 3.21Å; E381-H385 PolarHBondContact O-N 3.01Å
382	Y	72.4	Confident	68.1	Low	130 Å²	130	126.1 Å²	126.1	51%	0.51	60%	0.597	S	S	.	*	H	α-helix	trans	-57.9	-47.8	174.4	175.8	-91.3	0	0	0	111.3	F378 N379	F378-Y382 HydrophobicContact CB-CD1 4.45Å; F378-Y382 AromaticContact CD1-CD1 3.68Å; F378-Y382 HydrophobicContact CD1-CD1 3.68Å; F378-Y382 HydrophobicContact CD1-CD2 4.21Å; F378-Y382 AromaticContact CD1-CE1 3.53Å; F378-Y382 HydrophobicContact CD1-CE1 3.53Å; F378-Y382 HydrophobicContact CD1-CE2 4.06Å; F378-Y382 HydrophobicContact CD1-CG 4.03Å; F378-Y382 AromaticContact CD1-CZ 3.72Å; F378-Y382 AromaticContact CE1-CE1 3.99Å; F378-Y382 HydrophobicContact CE1-CE1 3.99Å; F378-Y382 HydrophobicContact CE1-CE2 4.02Å; F378-Y382 AromaticContact CE1-CZ 3.72Å; N379-Y382 WeakPolarHBondContact O-CB 3.31Å; N379-Y382 PolarHBondContact O-N 3.1Å; N379-Y382 VanDerWaalsContact O-N 3.09Å; N379-Y382 PolarHBondContact OD1-N 2.9Å
383	Y	76.3	Confident	66.1	Low	165 Å²	165	127.7 Å²	127.7	65%	0.647	61%	0.609	S	S	*	*	H	α-helix	trans	-75.1	-22.4	178.2	-68.2	-70.3	0	0	0	113.6	F378 N379 E381	F378-Y383 HydrophobicContact CB-CE2 4.06Å; F378-Y383 VanDerWaalsContact O-CE2 3.29Å; F378-Y383 WeakPolarHBondContact O-CE2 3.33Å; N379-Y383 WeakPolarHBondContact O-CD2 3.4Å; N379-Y383 PolarHBondContact O-N 2.97Å; E381-Y383 PolarHBondContact O-N 3.37Å
384	S	70.7	Confident	64.8	Low	80 Å²	80	133.2 Å²	133.2	56%	0.559	63%	0.632	S	S	*	*	H	α-helix	trans	-81.3	-21.2	178.3	-68.4	0	0	0	0	113.1	D380 E381 K386	D380-S384 WeakPolarHBondContact O-CA 3.24Å; D380-S384 WeakPolarHBondContact O-CB 3.33Å; D380-S384 PolarHBondContact O-N 3.35Å; D380-S384 PolarHBondContact O-OG 3.49Å; E381-S384 PolarHBondContact O-N 3.21Å; S384-K386 PolarHBondContact O-N 3.1Å
385	H	55.4	Low	63.1	Low	124 Å²	124	134.9 Å²	134.9	57%	0.574	65%	0.65	S	S	*	*			trans	-72.2	93.8	176.3	-155.5	-88.6	0	0	0	110	E381 T387	E381-H385 PolarHBondContact O-N 3.01Å; H385-T387 PolarHBondContact ND1-OG1 2.61Å; H385-T387 PolarHBondContact O-N 3.19Å; H385-T387 PolarHBondContact O-OG1 3.3Å
386	K	49.7	Very low	61.5	Low	196 Å²	196	135.5 Å²	135.5	85%	0.852	66%	0.659	S	S	*	*			trans	-68	49.6	179	-67.1	178.7	178.1	175.2	0	113.5	S384 D388	S384-K386 PolarHBondContact O-N 3.1Å; K386-D388 PolarHBondContact O-N 2.78Å
387	T	50.8	Low	59.6	Low	100 Å²	100	133.2 Å²	133.2	61%	0.613	66%	0.66	S	S	*	*			trans	-75.7	94.4	169.5	16.7	0	0	0	0	109.2	H385	H385-T387 PolarHBondContact ND1-OG1 2.61Å; H385-T387 PolarHBondContact O-N 3.19Å; H385-T387 PolarHBondContact O-OG1 3.3Å
388	D	48.5	Very low	58	Low	141 Å²	141	134 Å²	134	75%	0.754	68%	0.681	S	S	*	*			trans	40.5	96.3	156.5	-63.1	-29.1	0	0	0	117.2	K386 K390	K386-D388 PolarHBondContact O-N 2.78Å; D388-K390 PolarHBondContact O-N 3.04Å
389	E	51.7	Low	56.1	Low	200 Å²	200	138.5 Å²	138.5	94%	0.935	70%	0.702	S	S	*	*			trans	-62.9	47.6	174.4	-58.6	177.8	173.8	0	0	114.8	K391	E389-K391 VanDerWaalsContact C-N 3.31Å; E389-K391 PolarHBondContact O-N 2.77Å
390	K	51.3	Low	54.3	Low	186 Å²	186	143.4 Å²	143.4	81%	0.809	72%	0.723	S	S	*	*			trans	-83.1	80.9	169.3	-72.8	-175.6	-176.7	170.8	0	109.4	D388 P392	D388-K390 PolarHBondContact O-N 3.04Å; K390-P392 VanDerWaalsContact O-CD 3.25Å; K390-P392 WeakPolarHBondContact O-CD 3.39Å; K390-P392 VanDerWaalsContact O-N 3.14Å
391	K	52.4	Low	52.6	Low	196 Å²	196	143.6 Å²	143.6	85%	0.852	72%	0.724	S	S	*	*			trans	-53.8	115	169.2	-164.2	175.2	-174	-178.1	0	108.6	E389 F393	E389-K391 VanDerWaalsContact C-N 3.31Å; E389-K391 PolarHBondContact O-N 2.77Å; K391-F393 PolarHBondContact O-N 3.36Å
392	P	62.6	Low	50.9	Low	82 Å²	82	142.9 Å²	142.9	53%	0.532	73%	0.725	S	S	.	*			trans	-61.5	129.3	177.3	20.8	-28.3	0	0	0	109.4	K390 F394	K390-P392 VanDerWaalsContact O-CD 3.25Å; K390-P392 WeakPolarHBondContact O-CD 3.39Å; K390-P392 VanDerWaalsContact O-N 3.14Å; P392-F394 HydrophobicContact CB-CE2 4.16Å; P392-F394 HydrophobicContact CB-CZ 4.24Å; P392-F394 HydrophobicContact CG-CE2 3.66Å; P392-F394 HydrophobicContact CG-CZ 3.82Å; P392-F394 WeakPolarHBondContact O-CD2 3.47Å; P392-F394 PolarHBondContact O-N 2.69Å; P392-F394 VanDerWaalsContact O-N 3.17Å
393	F	44.9	Very low	49.5	Very low	201 Å²	201	141 Å²	141	88%	0.882	74%	0.736	S	S	*	*			trans	-77.1	98.6	175.5	-170.7	-94.6	0	0	0	107.8	K391 S395	K391-F393 PolarHBondContact O-N 3.36Å; F393-S395 PolarHBondContact O-N 2.83Å
394	F	51.2	Low	47.6	Very low	171 Å²	171	140.3 Å²	140.3	75%	0.75	74%	0.744	S	S	*	*			trans	-74.8	118.1	171.5	-65.5	-79.4	0	0	0	108.1	P392 D396	P392-F394 HydrophobicContact CB-CE2 4.16Å; P392-F394 HydrophobicContact CB-CZ 4.24Å; P392-F394 HydrophobicContact CG-CE2 3.66Å; P392-F394 HydrophobicContact CG-CZ 3.82Å; P392-F394 WeakPolarHBondContact O-CD2 3.47Å; P392-F394 PolarHBondContact O-N 2.69Å; P392-F394 VanDerWaalsContact O-N 3.17Å; F394-D396 PolarHBondContact O-N 3.32Å
395	S	44.1	Very low	46.1	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	76%	0.755	S	S	*	*			trans	-63.1	119.3	169.9	-171.3	0	0	0	0	107.7	F393 S397	F393-S395 PolarHBondContact O-N 2.83Å; S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.27Å
396	D	43.1	Very low	45.3	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	77%	0.766	S	S	*	*			trans	-63	82.3	178.7	-170.5	25.5	0	0	0	110.2	F394	F394-D396 PolarHBondContact O-N 3.32Å
397	S	41.8	Very low	44.7	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	76%	0.763	S	S	*	*			trans	-111.9	80.1	167.3	-177.8	0	0	0	0	106.4	S395 E399	S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.27Å; S397-E399 PolarHBondContact O-N 3.33Å
398	G	38.3	Very low	44	Very low	66 Å²	66	140 Å²	140	68%	0.68	77%	0.768	S	S	*	*			trans	-66.5	98	172.3	0	0	0	0	0	110.4
399	E	41.4	Very low	43.5	Very low	156 Å²	156	138.8 Å²	138.8	73%	0.729	77%	0.771	S	S	*	*			trans	-122.6	97.3	156.1	-155.7	75	-139.1	0	0	105.9	S397 D401	S397-E399 PolarHBondContact O-N 3.33Å; E399-D401 VanDerWaalsContact C-N 3.29Å; E399-D401 PolarHBondContact O-N 3.04Å; E399-D401 VanDerWaalsContact O-N 3.11Å
400	E	39.8	Very low	43.4	Very low	171 Å²	171	133.1 Å²	133.1	80%	0.799	75%	0.753	S	S	*	*			trans	-82.5	74.4	-176.7	-169.9	170.7	-163.9	0	0	108.3	N402	E400-N402 VanDerWaalsContact C-N 3.32Å; E400-N402 PolarHBondContact O-N 2.93Å
401	D	41.9	Very low	43.2	Very low	140 Å²	140	132 Å²	132	75%	0.749	75%	0.751	S	S	*	*			trans	-74.4	87.4	176.3	-80.7	-25.8	0	0	0	110	E399 A403	E399-D401 VanDerWaalsContact C-N 3.29Å; E399-D401 PolarHBondContact O-N 3.04Å; E399-D401 VanDerWaalsContact O-N 3.11Å; D401-A403 PolarHBondContact O-N 3.38Å
402	N	40.8	Very low	43.3	Very low	126 Å²	126	129.2 Å²	129.2	67%	0.674	75%	0.745	S	S	*	*			trans	-64.2	83.2	161.2	-92.5	-79.4	0	0	0	109.2	E400 D404	E400-N402 VanDerWaalsContact C-N 3.32Å; E400-N402 PolarHBondContact O-N 2.93Å; N402-D404 PolarHBondContact O-N 3.44Å
403	A	42.4	Very low	43.1	Very low	91 Å²	91	129.3 Å²	129.3	75%	0.752	74%	0.744	S	S	*	*			trans	-84.5	92.7	167.2	0	0	0	0	0	109.1	D401 A405	D401-A403 PolarHBondContact O-N 3.38Å; A403-A405 PolarHBondContact O-N 3.4Å; A403-A405 VanDerWaalsContact O-N 3.09Å
404	D	36.4	Very low	43.5	Very low	150 Å²	150	125.3 Å²	125.3	80%	0.802	72%	0.724	S	S	*	*			trans	-52.6	110.2	169.9	-79.9	-44.9	0	0	0	110.7	N402 E406	N402-D404 PolarHBondContact O-N 3.44Å; D404-E406 PolarHBondContact O-N 3.26Å
405	A	40.4	Very low	44	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	72%	0.719	S	S	*	*			trans	-78.6	96.1	177	0	0	0	0	0	110.3	A403 P407	A403-A405 PolarHBondContact O-N 3.4Å; A403-A405 VanDerWaalsContact O-N 3.09Å; A405-P407 WeakPolarHBondContact O-CD 3.27Å
406	E	36.9	Very low	44.9	Very low	171 Å²	171	124.5 Å²	124.5	80%	0.799	71%	0.709	S	S	*	*			trans	-69.3	116.7	168.6	-85.1	-79.6	178.3	0	0	111	D404 S408	D404-E406 PolarHBondContact O-N 3.26Å; E406-S408 PolarHBondContact O-N 3.09Å
407	P	38	Very low	45.9	Very low	120 Å²	120	121.5 Å²	121.5	78%	0.779	69%	0.692	S	S	*	*			trans	-94.4	99.1	178.6	34	-25	0	0	0	109.6	A405	A405-P407 WeakPolarHBondContact O-CD 3.27Å
408	S	35.4	Very low	47.2	Very low	105 Å²	105	120.1 Å²	120.1	73%	0.734	67%	0.673	S	S	*	*			trans	-140.1	124.4	175.6	-166.5	0	0	0	0	113.9	E406	E406-S408 PolarHBondContact O-N 3.09Å
409	S	38.9	Very low	48.7	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	67%	0.673	S	S	*	*	S	Bend	trans	88.6	5.1	158.9	-158.2	0	0	0	0	121.4
410	S	48.7	Very low	49.9	Very low	81 Å²	81	124.3 Å²	124.3	57%	0.566	67%	0.665	S	S	*	*			trans	-94.7	-1.1	178.3	59.3	0	0	0	0	116.3	N412 T413 Y414	S410-N412 VanDerWaalsContact C-N 3.32Å; S410-N412 PolarHBondContact O-N 3.11Å; S410-T413 PolarHBondContact O-N 3.39Å; S410-T413 PolarHBondContact O-OG1 3.44Å; S410-Y414 PolarHBondContact O-N 2.84Å
411	Q	48.9	Very low	51	Low	163 Å²	163	119.4 Å²	119.4	76%	0.762	65%	0.647	S	S	*	*	H	α-helix	trans	-66.3	-29.3	-175.1	-74.1	-173	-24.6	0	0	114.5	K415	Q411-K415 PolarHBondContact O-N 2.84Å
412	N	53.9	Low	52	Low	138 Å²	138	118.7 Å²	118.7	74%	0.738	64%	0.639	S	S	*	*	H	α-helix	trans	-78.8	-32.2	178.6	-79	-16	0	0	0	112.7	S410 E416	S410-N412 VanDerWaalsContact C-N 3.32Å; S410-N412 PolarHBondContact O-N 3.11Å; N412-E416 PolarHBondContact O-N 3.01Å
413	T	58.3	Low	53.2	Low	83 Å²	83	118.8 Å²	118.8	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-70.3	-38.9	172.4	46.7	0	0	0	0	110.4	S410 K415 E416 I417	S410-T413 PolarHBondContact O-N 3.39Å; S410-T413 PolarHBondContact O-OG1 3.44Å; T413-K415 PolarHBondContact O-N 3.32Å; T413-E416 PolarHBondContact O-N 2.88Å; T413-I417 WeakPolarHBondContact O-CB 3.39Å; T413-I417 WeakPolarHBondContact O-CD1 3.43Å; T413-I417 WeakPolarHBondContact O-CG1 3.17Å; T413-I417 PolarHBondContact O-N 3.43Å
414	Y	53.1	Low	53.9	Low	117 Å²	117	117.3 Å²	117.3	46%	0.459	62%	0.618	S	S	.	*	H	α-helix	trans	-57.3	-44.8	175.9	178	-99.6	0	0	0	112.7	D364 S410 E416 I417 K418	D364-Y414 PolarHBondContact OD1-OH 3.18Å; S410-Y414 PolarHBondContact O-N 2.84Å; Y414-E416 PolarHBondContact O-N 3.05Å; Y414-I417 PolarHBondContact O-N 3.28Å; Y414-K418 HydrophobicContact CE1-CD 4.08Å; Y414-K418 VanDerWaalsContact O-CB 3.24Å; Y414-K418 WeakPolarHBondContact O-CB 3.36Å; Y414-K418 PolarHBondContact O-N 3.19Å
415	K	62.4	Low	54.7	Low	146 Å²	146	116 Å²	116	64%	0.635	60%	0.603	S	S	*	*	H	α-helix	trans	-63.9	-38.4	178.3	-78.7	-178.3	179.1	172.6	0	113.7	Q411 T413 R419	Q411-K415 PolarHBondContact O-N 2.84Å; T413-K415 PolarHBondContact O-N 3.32Å; K415-R419 PolarHBondContact O-N 3.01Å
416	E	61.3	Low	55.7	Low	111 Å²	111	115.1 Å²	115.1	52%	0.519	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-41.1	178	-168.2	70	-147.6	0	0	111.1	N412 T413 Y414 R419 K420	N412-E416 PolarHBondContact O-N 3.01Å; T413-E416 PolarHBondContact O-N 2.88Å; Y414-E416 PolarHBondContact O-N 3.05Å; E416-R419 PolarHBondContact O-N 3.02Å; E416-K420 PolarHBondContact O-N 3.37Å
417	I	64.3	Low	56.7	Low	99 Å²	99	110.2 Å²	110.2	51%	0.508	58%	0.58	S	S	.	*	H	α-helix	trans	-62	-48	173.7	-66.4	164	0	0	0	109.5	T413 Y414 R419 K420 V421	T413-I417 WeakPolarHBondContact O-CB 3.39Å; T413-I417 WeakPolarHBondContact O-CD1 3.43Å; T413-I417 WeakPolarHBondContact O-CG1 3.17Å; T413-I417 PolarHBondContact O-N 3.43Å; Y414-I417 PolarHBondContact O-N 3.28Å; I417-R419 VanDerWaalsContact C-N 3.35Å; I417-R419 PolarHBondContact O-N 2.96Å; I417-K420 PolarHBondContact O-N 3.35Å; I417-K420 VanDerWaalsContact O-N 3.09Å; I417-V421 HydrophobicContact CG2-CG2 4.18Å; I417-V421 WeakPolarHBondContact O-CG2 3.49Å; I417-V421 PolarHBondContact O-N 2.95Å
418	K	70.3	Confident	57.5	Low	76 Å²	76	111.9 Å²	111.9	33%	0.33	58%	0.582	S	S	.	*	H	α-helix	trans	-54.6	-48.4	176.4	-173.8	168.8	-170.7	155.6	0	111.6	D364 Y414 K420 V421 E422	D364-K418 IonicContact OD1-NZ 2.78Å; D364-K418 WeakPolarHBondContact OD2-CE 3.28Å; D364-K418 IonicContact OD2-NZ 2.75Å; D364-K418 PolarHBondContact OD2-NZ 3.28Å; Y414-K418 HydrophobicContact CE1-CD 4.08Å; Y414-K418 VanDerWaalsContact O-CB 3.24Å; Y414-K418 WeakPolarHBondContact O-CB 3.36Å; Y414-K418 PolarHBondContact O-N 3.19Å; K418-K420 PolarHBondContact O-N 3.35Å; K418-V421 PolarHBondContact O-N 3.27Å; K418-E422 VanDerWaalsContact O-CB 3.24Å; K418-E422 WeakPolarHBondContact O-CB 3.45Å; K418-E422 PolarHBondContact O-N 3.02Å
419	R	69.2	Low	58.6	Low	179 Å²	179	111 Å²	111	68%	0.675	57%	0.569	S	S	*	*	H	α-helix	trans	-60.2	-42.2	175.8	-112.1	-176.4	-174.8	158.5	2.1	113.3	K415 E416 I417 N423	K415-R419 PolarHBondContact O-N 3.01Å; E416-R419 PolarHBondContact O-N 3.02Å; I417-R419 VanDerWaalsContact C-N 3.35Å; I417-R419 PolarHBondContact O-N 2.96Å; R419-N423 WeakPolarHBondContact O-CB 3.43Å; R419-N423 PolarHBondContact O-N 3.42Å
420	K	65.8	Low	59.6	Low	131 Å²	131	108 Å²	108	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-66	-44.3	177.9	-84	-178.6	178.2	174.5	0	111.6	E416 I417 K418 E422 N423 L424	E416-K420 PolarHBondContact O-N 3.37Å; I417-K420 PolarHBondContact O-N 3.35Å; I417-K420 VanDerWaalsContact O-N 3.09Å; K418-K420 PolarHBondContact O-N 3.35Å; K420-E422 VanDerWaalsContact C-N 3.34Å; K420-N423 PolarHBondContact O-N 3.48Å; K420-L424 VanDerWaalsContact O-CB 3.28Å; K420-L424 WeakPolarHBondContact O-CB 3.24Å; K420-L424 WeakPolarHBondContact O-CG 3.17Å; K420-L424 PolarHBondContact O-N 3.24Å
421	V	62.9	Low	60	Low	69 Å²	69	110.7 Å²	110.7	42%	0.418	56%	0.564	S	S	.	*	H	α-helix	trans	-62.9	-42.4	176.8	171.5	0	0	0	0	110.3	I417 K418 L424 R425	I417-V421 HydrophobicContact CG2-CG2 4.18Å; I417-V421 WeakPolarHBondContact O-CG2 3.49Å; I417-V421 PolarHBondContact O-N 2.95Å; K418-V421 PolarHBondContact O-N 3.27Å; V421-L424 CarbonylContact O-C 3.1Å; V421-L424 WeakPolarHBondContact O-CB 3.28Å; V421-L424 PolarHBondContact O-N 3.42Å; V421-R425 WeakPolarHBondContact O-CB 3.34Å; V421-R425 PolarHBondContact O-N 3.33Å
422	E	62.9	Low	60.9	Low	124 Å²	124	106 Å²	106	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-68.5	-40.5	179.8	-159.5	160.3	-155.5	0	0	112.2	K418 K420 L424 R425 A426	K418-E422 VanDerWaalsContact O-CB 3.24Å; K418-E422 WeakPolarHBondContact O-CB 3.45Å; K418-E422 PolarHBondContact O-N 3.02Å; K420-E422 VanDerWaalsContact C-N 3.34Å; E422-L424 VanDerWaalsContact C-N 3.34Å; E422-R425 PolarHBondContact O-N 2.85Å; E422-A426 PolarHBondContact O-N 2.87Å
423	N	66.8	Low	61.5	Low	128 Å²	128	101.1 Å²	101.1	68%	0.684	52%	0.518	S	S	*	.	H	α-helix	trans	-65	-35.7	169.9	-97.3	6	0	0	0	112.7	R419 K420	R419-N423 WeakPolarHBondContact O-CB 3.43Å; R419-N423 PolarHBondContact O-N 3.42Å; K420-N423 PolarHBondContact O-N 3.48Å
424	L	57.4	Low	61.7	Low	60 Å²	60	100.3 Å²	100.3	31%	0.314	51%	0.51	S	S	.	.	H	α-helix	trans	-69.5	-40.5	175.9	-86.6	164.7	0	0	0	111.5	K420 V421 E422 A426 S427 K436	K420-L424 VanDerWaalsContact O-CB 3.28Å; K420-L424 WeakPolarHBondContact O-CB 3.24Å; K420-L424 WeakPolarHBondContact O-CG 3.17Å; K420-L424 PolarHBondContact O-N 3.24Å; V421-L424 CarbonylContact O-C 3.1Å; V421-L424 WeakPolarHBondContact O-CB 3.28Å; V421-L424 PolarHBondContact O-N 3.42Å; E422-L424 VanDerWaalsContact C-N 3.34Å; L424-A426 PolarHBondContact O-N 2.94Å; L424-S427 WeakPolarHBondContact O-CB 3.49Å; L424-S427 PolarHBondContact O-N 3.32Å; L424-K436 HydrophobicContact CD1-CD 4.44Å; L424-K436 HydrophobicContact CD2-CD 3.78Å
425	R	53.5	Low	62.4	Low	124 Å²	124	99.3 Å²	99.3	47%	0.468	51%	0.51	S	S	.	.	H	α-helix	trans	-60.5	-32.6	176.8	-170.3	-176.6	-83.5	-152.8	-2.7	112.1	E362 V421 E422 S427	E362-R425 PolarHBondContact O-NH2 3.36Å; V421-R425 WeakPolarHBondContact O-CB 3.34Å; V421-R425 PolarHBondContact O-N 3.33Å; E422-R425 PolarHBondContact O-N 2.85Å; R425-S427 PolarHBondContact O-N 3.42Å
426	A	61.2	Low	63	Low	78 Å²	78	95.9 Å²	95.9	65%	0.645	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.1	173.9	0	0	0	0	0	113.8	E422 L424	E422-A426 PolarHBondContact O-N 2.87Å; L424-A426 PolarHBondContact O-N 2.94Å
427	S	57.6	Low	63.4	Low	68 Å²	68	93.4 Å²	93.4	48%	0.476	49%	0.489	S	S	.	.	S	Bend	trans	-97	99.8	172.5	-54.8	0	0	0	0	107.9	L424 R425 N429	L424-S427 WeakPolarHBondContact O-CB 3.49Å; L424-S427 PolarHBondContact O-N 3.32Å; R425-S427 PolarHBondContact O-N 3.42Å; S427-N429 PolarHBondContact O-N 3.5Å
428	N	55.3	Low	63.4	Low	154 Å²	154	90.7 Å²	90.7	82%	0.824	48%	0.475	S	S	*	.			trans	-54.5	34.8	-170	-79.4	-14.5	0	0	0	118.9
429	N	58.9	Low	63.2	Low	86 Å²	86	91.2 Å²	91.2	46%	0.46	48%	0.478	S	S	.	.			trans	-118.2	86.6	-178.4	-62.5	-11.5	0	0	0	109.2	S427 D431 D432 I433	S427-N429 PolarHBondContact O-N 3.5Å; N429-D431 PolarHBondContact O-N 3.31Å; N429-D432 HydrophobicContact CB-CB 3.73Å; N429-D432 VanDerWaalsContact CB-CG 3.49Å; N429-D432 VanDerWaalsContact CB-OD2 3.27Å; N429-D432 WeakPolarHBondContact CB-OD2 3.43Å; N429-D432 PolarHBondContact ND2-OD2 3.18Å; N429-D432 WeakPolarHBondContact O-CB 3.24Å; N429-D432 PolarHBondContact O-N 3.02Å; N429-I433 PolarHBondContact O-N 3.11Å
430	G	58.1	Low	63.5	Low	52 Å²	52	88.5 Å²	88.5	54%	0.536	47%	0.473	S	S	.	.	H	α-helix	trans	-56.1	-37.3	175.9	0	0	0	0	0	112.6	D432 I433 L434	G430-D432 VanDerWaalsContact C-N 3.3Å; G430-D432 PolarHBondContact O-N 2.94Å; G430-I433 WeakPolarHBondContact O-CB 3.5Å; G430-I433 PolarHBondContact O-N 3.39Å; G430-L434 PolarHBondContact O-N 3.18Å
431	D	58.8	Low	63.8	Low	138 Å²	138	88.4 Å²	88.4	74%	0.738	47%	0.47	S	S	*	.	H	α-helix	trans	-61.4	-36	175.1	-66.4	-16.9	0	0	0	112.6	N429 I433 E435	N429-D431 PolarHBondContact O-N 3.31Å; D431-I433 VanDerWaalsContact C-N 3.27Å; D431-I433 PolarHBondContact O-N 3.18Å; D431-E435 WeakPolarHBondContact O-CB 3.49Å; D431-E435 PolarHBondContact O-N 3.13Å
432	D	66	Low	63.9	Low	64 Å²	64	85.8 Å²	85.8	34%	0.342	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-29.1	176.3	-76.2	-11.2	0	0	0	111.5	N429 G430 K436	N429-D432 HydrophobicContact CB-CB 3.73Å; N429-D432 VanDerWaalsContact CB-CG 3.49Å; N429-D432 VanDerWaalsContact CB-OD2 3.27Å; N429-D432 WeakPolarHBondContact CB-OD2 3.43Å; N429-D432 PolarHBondContact ND2-OD2 3.18Å; N429-D432 WeakPolarHBondContact O-CB 3.24Å; N429-D432 PolarHBondContact O-N 3.02Å; G430-D432 VanDerWaalsContact C-N 3.3Å; G430-D432 PolarHBondContact O-N 2.94Å; D432-K436 WeakPolarHBondContact O-CB 3.18Å; D432-K436 VanDerWaalsContact O-CD 3.24Å; D432-K436 WeakPolarHBondContact O-CD 3.39Å; D432-K436 WeakPolarHBondContact O-CG 3.41Å; D432-K436 PolarHBondContact O-N 3.06Å
433	I	68	Low	64.1	Low	36 Å²	36	83.7 Å²	83.7	19%	0.185	44%	0.442	C	S	.	.	H	α-helix	trans	-71.8	-51.3	178.8	-61.1	172.4	0	0	0	109	N429 G430 D431 E435 K436 C437	N429-I433 PolarHBondContact O-N 3.11Å; G430-I433 WeakPolarHBondContact O-CB 3.5Å; G430-I433 PolarHBondContact O-N 3.39Å; D431-I433 VanDerWaalsContact C-N 3.27Å; D431-I433 PolarHBondContact O-N 3.18Å; I433-E435 VanDerWaalsContact C-N 3.27Å; I433-E435 PolarHBondContact O-N 3.1Å; I433-K436 PolarHBondContact O-N 3.2Å; I433-K436 VanDerWaalsContact O-N 3.13Å; I433-C437 WeakPolarHBondContact O-CB 3.45Å; I433-C437 PolarHBondContact O-N 3.07Å; I433-C437 PolarHBondContact O-SG 3.34Å; I433-C437 VanDerWaalsContact O-SG 3.37Å
434	L	62.1	Low	64.1	Low	67 Å²	67	82.9 Å²	82.9	35%	0.351	44%	0.437	S	S	.	.	H	α-helix	trans	-58	-43.1	176.3	-175.6	62.5	0	0	0	110.5	G430 K436 C437 M438	G430-L434 PolarHBondContact O-N 3.18Å; L434-K436 PolarHBondContact O-N 3.26Å; L434-C437 PolarHBondContact O-N 3.11Å; L434-M438 HydrophobicContact CD1-CG 4.23Å; L434-M438 HydrophobicContact CD1-SD 4.44Å; L434-M438 HydrophobicContact CD2-CE 4.45Å; L434-M438 HydrophobicContact CG-CE 3.93Å; L434-M438 HydrophobicContact CG-CG 4.31Å; L434-M438 HydrophobicContact CG-SD 4.1Å; L434-M438 VanDerWaalsContact O-CB 3.32Å; L434-M438 WeakPolarHBondContact O-CB 3.44Å; L434-M438 WeakPolarHBondContact O-CG 3.44Å; L434-M438 PolarHBondContact O-N 2.8Å
435	E	67.7	Low	64.2	Low	96 Å²	96	81.5 Å²	81.5	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.4	-172.8	135.7	-129.9	0	0	113	K336 D431 I433 M438 E439	K336-E435 IonicContact NZ-OE1 2.65Å; D431-E435 WeakPolarHBondContact O-CB 3.49Å; D431-E435 PolarHBondContact O-N 3.13Å; I433-E435 VanDerWaalsContact C-N 3.27Å; I433-E435 PolarHBondContact O-N 3.1Å; E435-M438 HydrophobicContact CB-CE 4.26Å; E435-M438 PolarHBondContact O-N 3.37Å; E435-E439 WeakPolarHBondContact O-CB 3.49Å; E435-E439 WeakPolarHBondContact O-CG 3.38Å; E435-E439 PolarHBondContact O-N 3.03Å
436	K	74.5	Confident	64.6	Low	73 Å²	73	76.6 Å²	76.6	32%	0.317	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-45.4	174.9	-74.2	163.1	-167.1	154.6	0	112.2	L424 D432 I433 L434 M438 E439 E440	L424-K436 HydrophobicContact CD1-CD 4.44Å; L424-K436 HydrophobicContact CD2-CD 3.78Å; D432-K436 WeakPolarHBondContact O-CB 3.18Å; D432-K436 VanDerWaalsContact O-CD 3.24Å; D432-K436 WeakPolarHBondContact O-CD 3.39Å; D432-K436 WeakPolarHBondContact O-CG 3.41Å; D432-K436 PolarHBondContact O-N 3.06Å; I433-K436 PolarHBondContact O-N 3.2Å; I433-K436 VanDerWaalsContact O-N 3.13Å; L434-K436 PolarHBondContact O-N 3.26Å; K436-M438 VanDerWaalsContact C-N 3.35Å; K436-M438 PolarHBondContact O-N 2.98Å; K436-E439 WeakPolarHBondContact O-CB 3.5Å; K436-E439 PolarHBondContact O-N 3.2Å; K436-E440 WeakPolarHBondContact O-CB 3.48Å; K436-E440 WeakPolarHBondContact O-CG 3.46Å; K436-E440 PolarHBondContact O-N 3.25Å
437	C	70.2	Confident	64.8	Low	59 Å²	59	76.7 Å²	76.7	40%	0.399	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-40.9	177.7	-69.8	0	0	0	0	111.7	I433 L434 E440 Y441	I433-C437 WeakPolarHBondContact O-CB 3.45Å; I433-C437 PolarHBondContact O-N 3.07Å; I433-C437 PolarHBondContact O-SG 3.34Å; I433-C437 VanDerWaalsContact O-SG 3.37Å; L434-C437 PolarHBondContact O-N 3.11Å; C437-E440 PolarHBondContact O-N 3.03Å; C437-Y441 PolarHBondContact O-N 2.81Å
438	M	64.8	Low	65.2	Low	42 Å²	42	76.1 Å²	76.1	21%	0.207	39%	0.39	C	S	.	.	H	α-helix	trans	-65.3	-43.3	174.1	-69.7	-175.4	-60.9	0	0	111.6	K336 L434 E435 K436 E440 Y441 Y442	K336-M438 HydrophobicContact CB-SD 4.49Å; K336-M438 HydrophobicContact CD-CE 3.83Å; K336-M438 HydrophobicContact CD-SD 3.4Å; K336-M438 WeakPolarHBondContact CD-SD 3.47Å; K336-M438 WeakPolarHBondContact CE-SD 3.34Å; K336-M438 HydrophobicContact CG-SD 3.73Å; K336-M438 VanDerWaalsContact NZ-CE 3.28Å; L434-M438 HydrophobicContact CD1-CG 4.23Å; L434-M438 HydrophobicContact CD1-SD 4.44Å; L434-M438 HydrophobicContact CD2-CE 4.45Å; L434-M438 HydrophobicContact CG-CE 3.93Å; L434-M438 HydrophobicContact CG-CG 4.31Å; L434-M438 HydrophobicContact CG-SD 4.1Å; L434-M438 VanDerWaalsContact O-CB 3.32Å; L434-M438 WeakPolarHBondContact O-CB 3.44Å; L434-M438 WeakPolarHBondContact O-CG 3.44Å; L434-M438 PolarHBondContact O-N 2.8Å; E435-M438 HydrophobicContact CB-CE 4.26Å; E435-M438 PolarHBondContact O-N 3.37Å; K436-M438 VanDerWaalsContact C-N 3.35Å; K436-M438 PolarHBondContact O-N 2.98Å; M438-E440 VanDerWaalsContact C-N 3.3Å; M438-E440 PolarHBondContact O-N 3.49Å; M438-Y441 PolarHBondContact O-N 2.73Å; M438-Y442 HydrophobicContact CB-CE2 4.37Å; M438-Y442 WeakPolarHBondContact O-CD2 3.46Å; M438-Y442 PolarHBondContact O-N 3.33Å
439	E	65.3	Low	65.9	Low	88 Å²	88	70.1 Å²	70.1	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-40.4	173.5	-80.5	-168.2	-177.6	0	0	112.2	E435 K436 Y442 K443	E435-E439 WeakPolarHBondContact O-CB 3.49Å; E435-E439 WeakPolarHBondContact O-CG 3.38Å; E435-E439 PolarHBondContact O-N 3.03Å; K436-E439 WeakPolarHBondContact O-CB 3.5Å; K436-E439 PolarHBondContact O-N 3.2Å; E439-Y442 PolarHBondContact O-N 3.45Å; E439-K443 VanDerWaalsContact O-CB 3.28Å; E439-K443 WeakPolarHBondContact O-CB 3.08Å; E439-K443 WeakPolarHBondContact O-CD 3.2Å; E439-K443 WeakPolarHBondContact O-CG 3.41Å; E439-K443 PolarHBondContact O-N 3.13Å; E439-K443 IonicContact OE2-NZ 2.67Å; E439-K443 PolarHBondContact OE2-NZ 3.36Å
440	E	75.3	Confident	66.3	Low	122 Å²	122	68.3 Å²	68.3	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-64.4	-42.7	175.4	-76.7	178.9	-171.8	0	0	111.7	K436 C437 M438 Y442 K443 L444	K436-E440 WeakPolarHBondContact O-CB 3.48Å; K436-E440 WeakPolarHBondContact O-CG 3.46Å; K436-E440 PolarHBondContact O-N 3.25Å; C437-E440 PolarHBondContact O-N 3.03Å; M438-E440 VanDerWaalsContact C-N 3.3Å; M438-E440 PolarHBondContact O-N 3.49Å; E440-Y442 PolarHBondContact O-N 3.46Å; E440-K443 CarbonylContact O-C 3.38Å; E440-K443 PolarHBondContact O-N 3.44Å; E440-K443 VanDerWaalsContact O-N 3.17Å; E440-L444 PolarHBondContact O-N 3Å
441	Y	71.7	Confident	66.7	Low	128 Å²	128	73 Å²	73	50%	0.502	36%	0.361	S	S	.	.	H	α-helix	trans	-57.9	-46.8	172.2	178.7	-102.9	0	0	0	111.5	C437 M438 K443 L444	C437-Y441 PolarHBondContact O-N 2.81Å; M438-Y441 PolarHBondContact O-N 2.73Å; Y441-K443 VanDerWaalsContact C-N 3.31Å; Y441-K443 PolarHBondContact O-N 2.82Å; Y441-L444 WeakPolarHBondContact O-CB 3.23Å; Y441-L444 PolarHBondContact O-N 3.26Å; Y441-L444 VanDerWaalsContact O-N 3.13Å
442	Y	64.9	Low	66.9	Low	15 Å²	15	67 Å²	67	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-71.9	-22.2	176.9	-69.8	-54.5	0	0	0	114.7	I48 K332 K336 M438 E439 E440 L444	I48-Y442 HydrophobicContact CD1-CD1 4.25Å; I48-Y442 HydrophobicContact CD1-CE1 4.28Å; K332-Y442 HydrophobicContact CB-CD1 4.44Å; K332-Y442 HydrophobicContact CB-CD2 4.32Å; K332-Y442 HydrophobicContact CB-CE1 4.07Å; K332-Y442 HydrophobicContact CB-CE2 3.99Å; K332-Y442 HydrophobicContact CD-CD1 3.83Å; K332-Y442 HydrophobicContact CD-CD2 4.02Å; K332-Y442 HydrophobicContact CD-CE1 4.31Å; K332-Y442 HydrophobicContact CD-CG 3.68Å; K332-Y442 HydrophobicContact CG-CD1 3.74Å; K332-Y442 HydrophobicContact CG-CD2 4.27Å; K332-Y442 HydrophobicContact CG-CE1 3.72Å; K332-Y442 HydrophobicContact CG-CE2 4.3Å; K332-Y442 HydrophobicContact CG-CG 4.03Å; K332-Y442 PolarHBondContact O-OH 2.85Å; K336-Y442 HydrophobicContact CD-CE2 4.34Å; K336-Y442 VanDerWaalsContact CE-CE2 3.44Å; K336-Y442 HydrophobicContact CG-CE2 4.05Å; K336-Y442 WeakPolarHBondContact CG-OH 3.14Å; M438-Y442 HydrophobicContact CB-CE2 4.37Å; M438-Y442 WeakPolarHBondContact O-CD2 3.46Å; M438-Y442 PolarHBondContact O-N 3.33Å; E439-Y442 PolarHBondContact O-N 3.45Å; E440-Y442 PolarHBondContact O-N 3.46Å; Y442-L444 VanDerWaalsContact C-N 3.34Å
443	K	67.6	Low	66.7	Low	80 Å²	80	68.7 Å²	68.7	35%	0.348	34%	0.339	S	S	.	.	H	α-helix	trans	-78.5	-23.4	171.6	-77.3	163.7	-166.1	160.4	0	110.8	E439 E440 Y441 D445 Y446 E447	E439-K443 VanDerWaalsContact O-CB 3.28Å; E439-K443 WeakPolarHBondContact O-CB 3.08Å; E439-K443 WeakPolarHBondContact O-CD 3.2Å; E439-K443 WeakPolarHBondContact O-CG 3.41Å; E439-K443 PolarHBondContact O-N 3.13Å; E439-K443 IonicContact OE2-NZ 2.67Å; E439-K443 PolarHBondContact OE2-NZ 3.36Å; E440-K443 CarbonylContact O-C 3.38Å; E440-K443 PolarHBondContact O-N 3.44Å; E440-K443 VanDerWaalsContact O-N 3.17Å; Y441-K443 VanDerWaalsContact C-N 3.31Å; Y441-K443 PolarHBondContact O-N 2.82Å; K443-D445 VanDerWaalsContact C-N 3.27Å; K443-D445 PolarHBondContact O-N 2.86Å; K443-Y446 CarbonylContact O-C 3.55Å; K443-Y446 VanDerWaalsContact O-C 3.22Å; K443-Y446 PolarHBondContact O-N 3.26Å; K443-E447 HydrophobicContact CB-CG 4.2Å; K443-E447 VanDerWaalsContact O-CG 3.29Å; K443-E447 WeakPolarHBondContact O-CG 3.39Å; K443-E447 PolarHBondContact O-N 3.07Å
444	L	66.2	Low	66.9	Low	110 Å²	110	71.7 Å²	71.7	58%	0.576	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-37.9	177.8	-162.9	64.3	0	0	0	111.2	E440 Y441 Y442 R457	E440-L444 PolarHBondContact O-N 3Å; Y441-L444 WeakPolarHBondContact O-CB 3.23Å; Y441-L444 PolarHBondContact O-N 3.26Å; Y441-L444 VanDerWaalsContact O-N 3.13Å; Y442-L444 VanDerWaalsContact C-N 3.34Å; L444-R457 WeakPolarHBondContact O-CD 3.44Å; L444-R457 PolarHBondContact O-NH1 3.28Å
445	D	60.3	Low	67.4	Low	32 Å²	32	71.6 Å²	71.6	17%	0.171	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-45.7	178.3	-55.5	-36.1	0	0	0	111.4	I48 K443 R457	I48-D445 HydrophobicContact CG1-CB 4.42Å; I48-D445 VanDerWaalsContact CG1-OD2 3.3Å; I48-D445 WeakPolarHBondContact CG1-OD2 3.18Å; I48-D445 HydrophobicContact CG2-CB 4.46Å; I48-D445 VanDerWaalsContact CG2-CG 3.43Å; I48-D445 WeakPolarHBondContact CG2-OD2 3.05Å; K443-D445 VanDerWaalsContact C-N 3.27Å; K443-D445 PolarHBondContact O-N 2.86Å; D445-R457 PolarHBondContact O-NH1 3.45Å; D445-R457 VanDerWaalsContact O-NH1 3.1Å
446	Y	62.4	Low	67.5	Low	21 Å²	21	68 Å²	68	8%	0.082	34%	0.343	C	S	.	.			trans	-163	130.5	172.3	54	-82.9	0	0	0	111.5	Y47 K443 M449 P455	Y47-Y446 AromaticContact CD1-CE1 3.77Å; Y47-Y446 HydrophobicContact CD1-CE1 3.77Å; Y47-Y446 AromaticContact CD1-CZ 3.83Å; Y47-Y446 AromaticContact CE1-CE1 3.79Å; Y47-Y446 HydrophobicContact CE1-CE1 3.79Å; Y47-Y446 HydrophobicContact CE1-CE2 4.17Å; Y47-Y446 AromaticContact CE1-CZ 3.52Å; Y47-Y446 WeakPolarHBondContact CE1-OH 3.46Å; K443-Y446 CarbonylContact O-C 3.55Å; K443-Y446 VanDerWaalsContact O-C 3.22Å; K443-Y446 PolarHBondContact O-N 3.26Å; Y446-M449 HydrophobicContact CD2-CG 3.88Å; Y446-M449 HydrophobicContact CD2-SD 4.37Å; Y446-M449 HydrophobicContact CE2-CG 4.12Å; Y446-M449 HydrophobicContact CE2-SD 4.02Å; Y446-P455 HydrophobicContact CD1-CB 4.41Å; Y446-P455 HydrophobicContact CG-CB 4.08Å
447	E	65.8	Low	67.5	Low	80 Å²	80	71.7 Å²	71.7	37%	0.374	36%	0.355	S	S	.	.	S	Bend	trans	-90.8	-25.1	177.1	-65.7	-156.5	120.9	0	0	112.3	K443 C456 K459	K443-E447 HydrophobicContact CB-CG 4.2Å; K443-E447 VanDerWaalsContact O-CG 3.29Å; K443-E447 WeakPolarHBondContact O-CG 3.39Å; K443-E447 PolarHBondContact O-N 3.07Å; E447-C456 PolarHBondContact N-O 3.03Å; E447-C456 VanDerWaalsContact N-O 3.08Å; E447-K459 HydrophobicContact CB-CG 4.1Å; E447-K459 VanDerWaalsContact CD-NZ 3.26Å; E447-K459 VanDerWaalsContact OE1-CE 3.29Å; E447-K459 WeakPolarHBondContact OE1-CE 3.4Å; E447-K459 IonicContact OE1-NZ 2.86Å; E447-K459 PolarHBondContact OE1-NZ 2.92Å; E447-K459 WeakPolarHBondContact OE2-CE 3.19Å; E447-K459 WeakPolarHBondContact OE2-CG 3.34Å; E447-K459 IonicContact OE2-NZ 3.18Å; E447-K459 PolarHBondContact OE2-NZ 3.48Å; E447-K459 VanDerWaalsContact OE2-NZ 3.15Å
448	D	65.7	Low	67.9	Low	55 Å²	55	76.3 Å²	76.3	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.4	-178.3	-157.4	-4.7	0	0	0	110.2	C456 F458 Y460	D448-C456 HydrophobicContact CB-CB 4.44Å; D448-C456 PolarHBondContact N-O 2.92Å; D448-C456 VanDerWaalsContact N-O 3.07Å; D448-C456 PolarHBondContact O-N 3.31Å; D448-F458 WeakPolarHBondContact CB-O 3.35Å; D448-Y460 PolarHBondContact OD2-N 2.84Å
449	M	70	Confident	68.3	Low	28 Å²	28	80.9 Å²	80.9	14%	0.138	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	107.4	172.4	-65.3	-171.2	-61.6	0	0	108.3	Y47 Y446 D451 G452 I454	Y47-M449 HydrophobicContact CE1-SD 4.32Å; Y47-M449 PolarHBondContact OH-SD 3.3Å; Y446-M449 HydrophobicContact CD2-CG 3.88Å; Y446-M449 HydrophobicContact CD2-SD 4.37Å; Y446-M449 HydrophobicContact CE2-CG 4.12Å; Y446-M449 HydrophobicContact CE2-SD 4.02Å; M449-D451 PolarHBondContact O-N 3.05Å; M449-G452 PolarHBondContact O-N 2.96Å; M449-I454 CarbonylContact C-O 3.56Å; M449-I454 WeakPolarHBondContact CA-O 3.49Å
450	I	67.7	Low	68.9	Low	48 Å²	48	84 Å²	84	25%	0.246	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.6	174	-51.8	168.8	0	0	0	107.1	G452 N453 I454 C456 Y460	I450-G452 PolarHBondContact O-N 3.21Å; I450-N453 PolarHBondContact O-N 2.9Å; I450-N453 VanDerWaalsContact O-N 3.15Å; I450-I454 HydrophobicContact CB-CB 4.15Å; I450-I454 HydrophobicContact CD1-CG2 4.42Å; I450-I454 PolarHBondContact N-O 2.97Å; I450-I454 PolarHBondContact O-N 3.33Å; I450-C456 HydrophobicContact CD1-CB 4.24Å; I450-C456 WeakPolarHBondContact CD1-SG 3.44Å; I450-C456 HydrophobicContact CG1-CB 4.08Å; I450-Y460 HydrophobicContact CD1-CD2 4.48Å; I450-Y460 HydrophobicContact CD1-CE2 3.57Å; I450-Y460 HydrophobicContact CG1-CD2 4.12Å; I450-Y460 HydrophobicContact CG1-CE2 3.67Å
451	D	66.6	Low	69.4	Low	152 Å²	152	82.6 Å²	82.6	81%	0.813	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	25.7	179.8	-60.4	-34.6	0	0	0	114.3	M449 N453	M449-D451 PolarHBondContact O-N 3.05Å; D451-N453 PolarHBondContact O-N 3.35Å
452	G	61.9	Low	70	Confident	10 Å²	10	85.9 Å²	85.9	10%	0.103	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-4.7	178.7	0	0	0	0	0	115.8	R324 M449 I450	R324-G452 PolarHBondContact NH1-O 3.02Å; R324-G452 VanDerWaalsContact NH1-O 3.16Å; R324-G452 PolarHBondContact NH2-O 3.33Å; M449-G452 PolarHBondContact O-N 2.96Å; I450-G452 PolarHBondContact O-N 3.21Å
453	N	61.5	Low	71.2	Confident	100 Å²	100	89.4 Å²	89.4	54%	0.535	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-21.9	-172.8	-77.3	-6.1	0	0	0	114.4	R324 I450 D451 P455	R324-N453 PolarHBondContact NH1-OD1 3.05Å; I450-N453 PolarHBondContact O-N 2.9Å; I450-N453 VanDerWaalsContact O-N 3.15Å; D451-N453 PolarHBondContact O-N 3.35Å; N453-P455 WeakPolarHBondContact O-CD 3.49Å
454	I	72.4	Confident	72.4	Confident	99 Å²	99	86.5 Å²	86.5	51%	0.508	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	104.4	-178.6	-56.2	165.5	0	0	0	108.2	M449 I450 C456	M449-I454 CarbonylContact C-O 3.56Å; M449-I454 WeakPolarHBondContact CA-O 3.49Å; I450-I454 HydrophobicContact CB-CB 4.15Å; I450-I454 HydrophobicContact CD1-CG2 4.42Å; I450-I454 PolarHBondContact N-O 2.97Å; I450-I454 PolarHBondContact O-N 3.33Å; I454-C456 PolarHBondContact O-N 3.17Å
455	P	72	Confident	73.6	Confident	66 Å²	66	86.5 Å²	86.5	43%	0.429	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	128.7	173.8	-16.4	29.7	0	0	0	109.4	Y446 N453	Y446-P455 HydrophobicContact CD1-CB 4.41Å; Y446-P455 HydrophobicContact CG-CB 4.08Å; N453-P455 WeakPolarHBondContact O-CD 3.49Å
456	C	71.4	Confident	75.1	Confident	19 Å²	19	86.7 Å²	86.7	13%	0.128	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.5	178.4	-115.2	0	0	0	0	110.3	E447 D448 I450 I454 F458 Y460	E447-C456 PolarHBondContact N-O 3.03Å; E447-C456 VanDerWaalsContact N-O 3.08Å; D448-C456 HydrophobicContact CB-CB 4.44Å; D448-C456 PolarHBondContact N-O 2.92Å; D448-C456 VanDerWaalsContact N-O 3.07Å; D448-C456 PolarHBondContact O-N 3.31Å; I450-C456 HydrophobicContact CD1-CB 4.24Å; I450-C456 WeakPolarHBondContact CD1-SG 3.44Å; I450-C456 HydrophobicContact CG1-CB 4.08Å; I454-C456 PolarHBondContact O-N 3.17Å; C456-F458 PolarHBondContact O-N 3.37Å; C456-Y460 HydrophobicContact CB-CE2 4.37Å
457	R	73.8	Confident	76.5	Confident	151 Å²	151	92.6 Å²	92.6	57%	0.57	45%	0.451	S	S	*	.	S	Bend	trans	-67.6	-23.7	173.3	-166.8	90.1	76.5	-135.4	-5.1	111.7	L444 D445	L444-R457 WeakPolarHBondContact O-CD 3.44Å; L444-R457 PolarHBondContact O-NH1 3.28Å; D445-R457 PolarHBondContact O-NH1 3.45Å; D445-R457 VanDerWaalsContact O-NH1 3.1Å
458	F	77.9	Confident	77.8	Confident	156 Å²	156	90.3 Å²	90.3	68%	0.684	44%	0.44	S	S	*	.	S	Bend	trans	-98.2	142.7	-175.7	-54.7	-75.1	0	0	0	111.8	D448 C456	D448-F458 WeakPolarHBondContact CB-O 3.35Å; C456-F458 PolarHBondContact O-N 3.37Å
459	K	73.9	Confident	79.1	Confident	138 Å²	138	88.5 Å²	88.5	60%	0.6	44%	0.435	S	S	*	.			trans	-81.7	115.9	171.7	-63.9	178.9	178.7	139.9	0	110.1	E447	E447-K459 HydrophobicContact CB-CG 4.1Å; E447-K459 VanDerWaalsContact CD-NZ 3.26Å; E447-K459 VanDerWaalsContact OE1-CE 3.29Å; E447-K459 WeakPolarHBondContact OE1-CE 3.4Å; E447-K459 IonicContact OE1-NZ 2.86Å; E447-K459 PolarHBondContact OE1-NZ 2.92Å; E447-K459 WeakPolarHBondContact OE2-CE 3.19Å; E447-K459 WeakPolarHBondContact OE2-CG 3.34Å; E447-K459 IonicContact OE2-NZ 3.18Å; E447-K459 PolarHBondContact OE2-NZ 3.48Å; E447-K459 VanDerWaalsContact OE2-NZ 3.15Å
460	Y	78.5	Confident	80.1	Confident	155 Å²	155	87.9 Å²	87.9	61%	0.608	43%	0.432	S	S	*	.			trans	-76.2	136	168.6	-74.1	-87.3	0	0	0	110.3	D448 I450 C456	D448-Y460 PolarHBondContact OD2-N 2.84Å; I450-Y460 HydrophobicContact CD1-CD2 4.48Å; I450-Y460 HydrophobicContact CD1-CE2 3.57Å; I450-Y460 HydrophobicContact CG1-CD2 4.12Å; I450-Y460 HydrophobicContact CG1-CE2 3.67Å; C456-Y460 HydrophobicContact CB-CE2 4.37Å
461	R	84.5	Confident	81.3	Confident	91 Å²	91	89.2 Å²	89.2	34%	0.343	44%	0.439	S	S	.	.			trans	-106.2	133.2	170.6	175.6	-179.6	149.2	111.8	-4.5	108.9	V463 Y495 I496 E501	R461-V463 PolarHBondContact O-N 2.72Å; R461-Y495 HydrophobicContact CB-CE2 4.41Å; R461-I496 PolarHBondContact NH2-O 3.08Å; R461-E501 IonicContact CZ-OE1 2.76Å; R461-E501 IonicContact NE-OE1 3.93Å; R461-E501 PolarHBondContact NE-OE1 3.27Å; R461-E501 IonicContact NH2-OE1 3.6Å; R461-E501 PolarHBondContact NH2-OE1 3.33Å
462	K	85.9	Confident	82.5	Confident	197 Å²	197	86.2 Å²	86.2	86%	0.857	43%	0.426	S	S	*	.			trans	-68	119.4	169	-171.6	177.2	-179.4	-179.3	0	109.7
463	V	89.7	Confident	84	Confident	89 Å²	89	89.6 Å²	89.6	54%	0.539	45%	0.445	S	S	.	.			trans	-107.5	147.2	179.5	173.6	0	0	0	0	109.7	R461 E501	R461-V463 PolarHBondContact O-N 2.72Å; V463-E501 WeakPolarHBondContact CA-OE2 3.39Å; V463-E501 WeakPolarHBondContact CG1-OE2 3.19Å
464	V	92.3	Very high	85.4	Confident	19 Å²	19	86 Å²	86	12%	0.115	43%	0.425	C	S	.	.			trans	-67.6	125.8	175.2	179	0	0	0	0	110	N466 E498 E501	V464-N466 PolarHBondContact O-N 2.63Å; V464-E498 HydrophobicContact CG2-CG 3.95Å; V464-E501 HydrophobicContact CB-CB 4.19Å; V464-E501 HydrophobicContact CG2-CB 4.3Å; V464-E501 WeakPolarHBondContact CG2-OE2 3.29Å; V464-E501 PolarHBondContact N-OE2 3.34Å
465	P	91.8	Very high	86.4	Confident	110 Å²	110	84.7 Å²	84.7	71%	0.714	42%	0.418	S	S	*	.			trans	-57.3	127.5	177.6	-25	33.7	0	0	0	112.1
466	N	91.7	Very high	87.3	Confident	37 Å²	37	88.2 Å²	88.2	20%	0.198	43%	0.433	C	S	.	.			trans	-138.8	116.4	-177.5	-174.8	10.3	0	0	0	110.9	V464 F468	V464-N466 PolarHBondContact O-N 2.63Å; N466-F468 VanDerWaalsContact C-N 3.31Å; N466-F468 HydrophobicContact CB-CD2 4.44Å; N466-F468 HydrophobicContact CB-CE2 4.08Å; N466-F468 HydrophobicContact CB-CZ 4.3Å; N466-F468 WeakPolarHBondContact ND2-CD1 3.4Å; N466-F468 WeakPolarHBondContact ND2-CE1 3.2Å; N466-F468 WeakPolarHBondContact ND2-CZ 3.15Å; N466-F468 WeakPolarHBondContact O-CD2 3.48Å; N466-F468 WeakPolarHBondContact O-CE2 3.34Å; N466-F468 PolarHBondContact OD1-N 3.29Å
467	Q	91.2	Very high	88.3	Confident	145 Å²	145	94.6 Å²	94.6	68%	0.678	46%	0.458	S	S	*	.			trans	-84.5	-2.5	178	-65.6	170.1	-58.3	0	0	113.2	G469 L470	Q467-G469 PolarHBondContact O-N 2.77Å; Q467-L470 PolarHBondContact O-N 3.42Å
468	F	94.4	Very high	89.2	Confident	31 Å²	31	87.8 Å²	87.8	14%	0.136	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	22.4	-179.5	-61.7	-86.1	0	0	0	115.4	N466 L470 W486 V487 M492 Y508	N466-F468 VanDerWaalsContact C-N 3.31Å; N466-F468 HydrophobicContact CB-CD2 4.44Å; N466-F468 HydrophobicContact CB-CE2 4.08Å; N466-F468 HydrophobicContact CB-CZ 4.3Å; N466-F468 WeakPolarHBondContact ND2-CD1 3.4Å; N466-F468 WeakPolarHBondContact ND2-CE1 3.2Å; N466-F468 WeakPolarHBondContact ND2-CZ 3.15Å; N466-F468 WeakPolarHBondContact O-CD2 3.48Å; N466-F468 WeakPolarHBondContact O-CE2 3.34Å; N466-F468 PolarHBondContact OD1-N 3.29Å; F468-L470 VanDerWaalsContact C-N 3.29Å; F468-L470 PolarHBondContact O-N 3.25Å; F468-W486 PolarHBondContact O-NE1 3.47Å; F468-V487 HydrophobicContact CB-CG2 3.75Å; F468-V487 HydrophobicContact CD1-CB 4.41Å; F468-V487 HydrophobicContact CD1-CG1 3.85Å; F468-V487 HydrophobicContact CD1-CG2 3.82Å; F468-V487 HydrophobicContact CE1-CG1 4.04Å; F468-V487 HydrophobicContact CG-CG1 4.37Å; F468-V487 HydrophobicContact CG-CG2 4.03Å; F468-M492 HydrophobicContact CD2-SD 3.46Å; F468-M492 WeakPolarHBondContact CD2-SD 3.28Å; F468-M492 HydrophobicContact CE1-CG 4.43Å; F468-M492 HydrophobicContact CE1-SD 4.4Å; F468-M492 HydrophobicContact CE2-CG 4.02Å; F468-M492 HydrophobicContact CE2-SD 3.18Å; F468-M492 WeakPolarHBondContact CE2-SD 3.45Å; F468-M492 HydrophobicContact CG-SD 4.2Å; F468-M492 HydrophobicContact CZ-CB 4.41Å; F468-M492 HydrophobicContact CZ-CG 3.89Å; F468-M492 HydrophobicContact CZ-SD 3.7Å; F468-Y508 HydrophobicContact CB-CD1 4.33Å; F468-Y508 HydrophobicContact CB-CG 4.27Å; F468-Y508 HydrophobicContact CD1-CD1 4.44Å; F468-Y508 AromaticContact CD1-CD2 3.62Å; F468-Y508 HydrophobicContact CD1-CD2 3.62Å; F468-Y508 AromaticContact CD1-CE2 3.73Å; F468-Y508 HydrophobicContact CD1-CE2 3.73Å; F468-Y508 AromaticContact CD1-CG 3.99Å; F468-Y508 HydrophobicContact CD1-CG 3.99Å; F468-Y508 HydrophobicContact CE1-CD2 4.27Å; F468-Y508 HydrophobicContact CE1-CE2 4.18Å; F468-Y508 WeakPolarHBondContact O-CD1 3.19Å
469	G	91.3	Very high	89.9	Confident	18 Å²	18	84.7 Å²	84.7	19%	0.186	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	10.9	175.5	0	0	0	0	0	114.7	Q467 Y508 G512 K518	Q467-G469 PolarHBondContact O-N 2.77Å; G469-Y508 WeakPolarHBondContact CA-O 3.43Å; G469-G512 WeakPolarHBondContact O-CA 3.17Å; G469-K518 WeakPolarHBondContact O-CE 3.44Å; G469-K518 PolarHBondContact O-NZ 3.04Å; G469-K518 VanDerWaalsContact O-NZ 3.09Å
470	L	92.5	Very high	90.8	Very high	15 Å²	15	84.5 Å²	84.5	8%	0.079	43%	0.431	C	S	.	.			trans	-107.1	144.8	172.2	-59.8	-178.5	0	0	0	110.1	Q467 F468 E474 I475 L483 W486 L522	Q467-L470 PolarHBondContact O-N 3.42Å; F468-L470 VanDerWaalsContact C-N 3.29Å; F468-L470 PolarHBondContact O-N 3.25Å; L470-E474 VanDerWaalsContact CA-OE2 3.28Å; L470-E474 WeakPolarHBondContact CA-OE2 3.21Å; L470-I475 HydrophobicContact CB-CD1 4.08Å; L470-I475 HydrophobicContact CB-CG1 3.71Å; L470-I475 HydrophobicContact CD1-CG1 4.17Å; L470-L483 HydrophobicContact CD1-CD2 3.64Å; L470-W486 HydrophobicContact CD1-CG 4.13Å; L470-W486 HydrophobicContact CD2-CD2 4.21Å; L470-W486 HydrophobicContact CD2-CG 4.32Å; L470-W486 HydrophobicContact CD2-CZ2 4.28Å; L470-W486 HydrophobicContact CG-CG 4.4Å; L470-L522 HydrophobicContact CD2-CD1 3.72Å
471	D	92.5	Very high	91.5	Very high	75 Å²	75	86 Å²	86	40%	0.401	44%	0.44	S	S	.	.			trans	-80.4	160.5	169.5	-177.9	46.8	0	0	0	111.2	T473 E474 I475	D471-T473 PolarHBondContact O-N 2.93Å; D471-T473 PolarHBondContact OD2-N 3.49Å; D471-T473 PolarHBondContact OD2-OG1 3.08Å; D471-E474 HydrophobicContact CB-CG 4.2Å; D471-E474 PolarHBondContact N-OE2 3.06Å; D471-E474 PolarHBondContact O-N 3.18Å; D471-E474 VanDerWaalsContact O-N 3.17Å; D471-I475 VanDerWaalsContact O-CG1 3.29Å; D471-I475 WeakPolarHBondContact O-CG1 3.48Å; D471-I475 PolarHBondContact O-N 3.31Å
472	V	92.4	Very high	92	Very high	89 Å²	89	83 Å²	83	54%	0.539	43%	0.43	S	S	.	.	H	α-helix	trans	-57.4	-40.2	178.4	-176.8	0	0	0	0	111.2	I475 L476	V472-I475 PolarHBondContact O-N 3.44Å; V472-L476 HydrophobicContact CG1-CD1 4.17Å; V472-L476 WeakPolarHBondContact O-CG 3.26Å; V472-L476 PolarHBondContact O-N 2.9Å; V472-L476 VanDerWaalsContact O-N 3.1Å
473	T	92	Very high	92.4	Very high	81 Å²	81	75.1 Å²	75.1	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-68	-37.1	179.4	61.7	0	0	0	0	112.5	D471 K477	D471-T473 PolarHBondContact O-N 2.93Å; D471-T473 PolarHBondContact OD2-N 3.49Å; D471-T473 PolarHBondContact OD2-OG1 3.08Å; T473-K477 WeakPolarHBondContact O-CG 3.25Å; T473-K477 PolarHBondContact O-N 3.03Å
474	E	91.7	Very high	92.6	Very high	24 Å²	24	74.7 Å²	74.7	11%	0.112	39%	0.392	C	S	.	.	H	α-helix	trans	-67.4	-39.1	175.3	-64	171.2	166.9	0	0	110.9	L470 D471 A478 K518 I525 Y526	L470-E474 VanDerWaalsContact CA-OE2 3.28Å; L470-E474 WeakPolarHBondContact CA-OE2 3.21Å; D471-E474 HydrophobicContact CB-CG 4.2Å; D471-E474 PolarHBondContact N-OE2 3.06Å; D471-E474 PolarHBondContact O-N 3.18Å; D471-E474 VanDerWaalsContact O-N 3.17Å; E474-A478 WeakPolarHBondContact O-CB 3.44Å; E474-A478 PolarHBondContact O-N 3.11Å; E474-K518 VanDerWaalsContact CD-NZ 3.25Å; E474-K518 IonicContact OE1-NZ 2.8Å; E474-K518 PolarHBondContact OE1-NZ 3.27Å; E474-K518 IonicContact OE2-NZ 3.91Å; E474-K518 PolarHBondContact OE2-NZ 3.32Å; E474-I525 HydrophobicContact CB-CD1 4.22Å; E474-I525 WeakPolarHBondContact O-CD1 3.29Å; E474-Y526 PolarHBondContact OE1-OH 2.76Å
475	I	92.4	Very high	92.6	Very high	72 Å²	72	76.9 Å²	76.9	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-65	-42.4	178.3	-66.3	163.7	0	0	0	111	L470 D471 V472 L483	L470-I475 HydrophobicContact CB-CD1 4.08Å; L470-I475 HydrophobicContact CB-CG1 3.71Å; L470-I475 HydrophobicContact CD1-CG1 4.17Å; D471-I475 VanDerWaalsContact O-CG1 3.29Å; D471-I475 WeakPolarHBondContact O-CG1 3.48Å; D471-I475 PolarHBondContact O-N 3.31Å; V472-I475 PolarHBondContact O-N 3.44Å; I475-L483 HydrophobicContact CG2-CD1 4.46Å; I475-L483 WeakPolarHBondContact O-CD1 3.33Å
476	L	92.3	Very high	92.7	Very high	140 Å²	140	71.9 Å²	71.9	73%	0.733	38%	0.379	S	S	*	.	H	α-helix	trans	-75.9	-31	-176.1	-70.3	173.1	0	0	0	114.1	V472	V472-L476 HydrophobicContact CG1-CD1 4.17Å; V472-L476 WeakPolarHBondContact O-CG 3.26Å; V472-L476 PolarHBondContact O-N 2.9Å; V472-L476 VanDerWaalsContact O-N 3.1Å
477	K	91.4	Very high	92.8	Very high	153 Å²	153	70.8 Å²	70.8	67%	0.665	37%	0.374	S	S	*	.	H	α-helix	trans	-89.8	-20	-177.7	-69.1	-179.5	178.3	-178.3	0	113.7	T473 I525	T473-K477 WeakPolarHBondContact O-CG 3.25Å; T473-K477 PolarHBondContact O-N 3.03Å; K477-I525 HydrophobicContact CB-CD1 4.04Å; K477-I525 HydrophobicContact CB-CG1 4.06Å
478	A	92.4	Very high	92.9	Very high	9 Å²	9	65.9 Å²	65.9	7%	0.074	36%	0.356	C	S	.	.	S	Bend	trans	-78.3	150	-178	0	0	0	0	0	111.5	E474 L483 L522 I525	E474-A478 WeakPolarHBondContact O-CB 3.44Å; E474-A478 PolarHBondContact O-N 3.11Å; A478-L483 HydrophobicContact CB-CD1 4.35Å; A478-L483 HydrophobicContact CB-CD2 3.69Å; A478-L483 HydrophobicContact CB-CG 3.8Å; A478-L522 HydrophobicContact CB-CD2 3.94Å; A478-I525 HydrophobicContact CB-CD1 3.7Å; A478-I525 HydrophobicContact CB-CG1 4.33Å
479	N	93.2	Very high	92.8	Very high	91 Å²	91	70.2 Å²	70.2	49%	0.487	38%	0.379	S	S	.	.			trans	-72.3	142.9	172.4	-71.3	-42.6	0	0	0	111.2	K481 E482 L483 S524	N479-K481 PolarHBondContact O-N 3.09Å; N479-E482 HydrophobicContact CB-CG 4.22Å; N479-E482 WeakPolarHBondContact O-CA 3.49Å; N479-E482 WeakPolarHBondContact O-CB 3.34Å; N479-E482 PolarHBondContact O-N 2.81Å; N479-L483 PolarHBondContact O-N 2.84Å; N479-S524 WeakPolarHBondContact ND2-CB 3.45Å; N479-S524 PolarHBondContact ND2-OG 2.86Å
480	D	92	Very high	92.8	Very high	133 Å²	133	76.5 Å²	76.5	71%	0.711	40%	0.401	S	S	*	.	H	α-helix	trans	-51.8	-35.9	179	-70.6	-8.3	0	0	0	113.8	E482 L483 N484	D480-E482 VanDerWaalsContact C-N 3.33Å; D480-E482 PolarHBondContact O-N 3.23Å; D480-L483 PolarHBondContact O-N 3.48Å; D480-N484 VanDerWaalsContact O-CB 3.23Å; D480-N484 WeakPolarHBondContact O-CB 3.41Å; D480-N484 PolarHBondContact O-N 2.94Å
481	K	94	Very high	92.8	Very high	187 Å²	187	80.2 Å²	80.2	81%	0.813	42%	0.416	S	S	*	.	H	α-helix	trans	-64.5	-37.9	176.8	-66.9	-178.6	-177.8	174.1	0	112	N479 A485	N479-K481 PolarHBondContact O-N 3.09Å; K481-A485 WeakPolarHBondContact O-CB 3.35Å; K481-A485 PolarHBondContact O-N 2.93Å; K481-A485 VanDerWaalsContact O-N 3.07Å
482	E	94.7	Very high	92.5	Very high	28 Å²	28	82.1 Å²	82.1	13%	0.131	42%	0.424	C	S	.	.	H	α-helix	trans	-74.5	-40.3	178.4	-58.6	-174.4	162.5	0	0	111	N479 D480 A485 W486 I521 L522 R523 S524	N479-E482 HydrophobicContact CB-CG 4.22Å; N479-E482 WeakPolarHBondContact O-CA 3.49Å; N479-E482 WeakPolarHBondContact O-CB 3.34Å; N479-E482 PolarHBondContact O-N 2.81Å; D480-E482 VanDerWaalsContact C-N 3.33Å; D480-E482 PolarHBondContact O-N 3.23Å; E482-A485 WeakPolarHBondContact O-CB 2.96Å; E482-A485 PolarHBondContact O-N 3.3Å; E482-W486 PolarHBondContact O-N 3.5Å; E482-I521 WeakPolarHBondContact O-CG2 3.47Å; E482-L522 HydrophobicContact CB-CD2 3.93Å; E482-L522 WeakPolarHBondContact OE2-CA 3.41Å; E482-R523 PolarHBondContact OE1-N 2.97Å; E482-R523 PolarHBondContact OE2-N 3.35Å; E482-S524 PolarHBondContact OE1-N 3.18Å; E482-S524 WeakPolarHBondContact OE2-CB 3.35Å; E482-S524 PolarHBondContact OE2-N 3.19Å
483	L	93.9	Very high	92.3	Very high	32 Å²	32	82.4 Å²	82.4	17%	0.168	43%	0.43	C	S	.	.	H	α-helix	trans	-61.9	-46.7	173.5	-66.6	176.4	0	0	0	111.6	L470 I475 A478 N479 D480 A485 W486 V487 L522	L470-L483 HydrophobicContact CD1-CD2 3.64Å; I475-L483 HydrophobicContact CG2-CD1 4.46Å; I475-L483 WeakPolarHBondContact O-CD1 3.33Å; A478-L483 HydrophobicContact CB-CD1 4.35Å; A478-L483 HydrophobicContact CB-CD2 3.69Å; A478-L483 HydrophobicContact CB-CG 3.8Å; N479-L483 PolarHBondContact O-N 2.84Å; D480-L483 PolarHBondContact O-N 3.48Å; L483-A485 VanDerWaalsContact C-N 3.26Å; L483-A485 PolarHBondContact O-N 2.93Å; L483-W486 WeakPolarHBondContact O-CA 3.44Å; L483-W486 WeakPolarHBondContact O-CB 3.46Å; L483-W486 PolarHBondContact O-N 3.48Å; L483-V487 PolarHBondContact O-N 3.13Å; L483-V487 VanDerWaalsContact O-O 3.1Å; L483-L522 HydrophobicContact CD2-CD2 4.31Å
484	N	94.3	Very high	92.2	Very high	79 Å²	79	81.9 Å²	81.9	42%	0.422	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-28.8	177.7	-164.2	45.4	0	0	0	112.1	D480 V487 S488 I489	D480-N484 VanDerWaalsContact O-CB 3.23Å; D480-N484 WeakPolarHBondContact O-CB 3.41Å; D480-N484 PolarHBondContact O-N 2.94Å; N484-V487 WeakPolarHBondContact CA-O 3.48Å; N484-V487 CarbonylContact O-C 3.59Å; N484-S488 WeakPolarHBondContact O-CA 3.34Å; N484-S488 PolarHBondContact O-N 3.23Å; N484-S488 WeakPolarHBondContact OD1-CA 3.47Å; N484-I489 PolarHBondContact OD1-N 3.4Å
485	A	93.1	Very high	92.1	Very high	66 Å²	66	89.8 Å²	89.8	55%	0.545	45%	0.452	S	S	.	.	H	α-helix	trans	-73	-29.8	171	0	0	0	0	0	112.9	K481 E482 L483 I521	K481-A485 WeakPolarHBondContact O-CB 3.35Å; K481-A485 PolarHBondContact O-N 2.93Å; K481-A485 VanDerWaalsContact O-N 3.07Å; E482-A485 WeakPolarHBondContact O-CB 2.96Å; E482-A485 PolarHBondContact O-N 3.3Å; L483-A485 VanDerWaalsContact C-N 3.26Å; L483-A485 PolarHBondContact O-N 2.93Å; A485-I521 HydrophobicContact CB-CG2 4.18Å
486	W	94.3	Very high	92	Very high	5 Å²	5	87.1 Å²	87.1	2%	0.019	44%	0.439	C	S	.	.	H	α-helix	trans	-73.1	-57.4	172.3	-174.2	-101.9	0	0	0	111.5	F468 L470 E482 L483 R511 L517 K518 I521	F468-W486 PolarHBondContact O-NE1 3.47Å; L470-W486 HydrophobicContact CD1-CG 4.13Å; L470-W486 HydrophobicContact CD2-CD2 4.21Å; L470-W486 HydrophobicContact CD2-CG 4.32Å; L470-W486 HydrophobicContact CD2-CZ2 4.28Å; L470-W486 HydrophobicContact CG-CG 4.4Å; E482-W486 PolarHBondContact O-N 3.5Å; L483-W486 WeakPolarHBondContact O-CA 3.44Å; L483-W486 WeakPolarHBondContact O-CB 3.46Å; L483-W486 PolarHBondContact O-N 3.48Å; W486-R511 HydrophobicContact CH2-CG 3.75Å; W486-R511 HydrophobicContact CZ2-CB 4.39Å; W486-R511 HydrophobicContact CZ2-CG 3.78Å; W486-L517 HydrophobicContact CH2-CB 4.48Å; W486-L517 HydrophobicContact CZ3-CB 4.18Å; W486-K518 HydrophobicContact CH2-CG 3.61Å; W486-K518 HydrophobicContact CZ2-CG 4.26Å; W486-K518 HydrophobicContact CZ3-CG 3.96Å; W486-I521 HydrophobicContact CB-CG2 4.07Å; W486-I521 HydrophobicContact CE3-CB 4.03Å; W486-I521 HydrophobicContact CE3-CD1 3.49Å; W486-I521 VanDerWaalsContact CE3-CD1 3.49Å; W486-I521 HydrophobicContact CE3-CG1 4.32Å; W486-I521 HydrophobicContact CE3-CG2 4.09Å; W486-I521 HydrophobicContact CZ3-CD1 3.81Å
487	V	93.9	Very high	92.1	Very high	13 Å²	13	84 Å²	84	8%	0.079	43%	0.427	C	S	.	.	S	Bend	trans	-136.1	119	171.9	-177.7	0	0	0	0	109.6	F468 L483 N484 K491 M492 Y508	F468-V487 HydrophobicContact CB-CG2 3.75Å; F468-V487 HydrophobicContact CD1-CB 4.41Å; F468-V487 HydrophobicContact CD1-CG1 3.85Å; F468-V487 HydrophobicContact CD1-CG2 3.82Å; F468-V487 HydrophobicContact CE1-CG1 4.04Å; F468-V487 HydrophobicContact CG-CG1 4.37Å; F468-V487 HydrophobicContact CG-CG2 4.03Å; L483-V487 PolarHBondContact O-N 3.13Å; L483-V487 VanDerWaalsContact O-O 3.1Å; N484-V487 WeakPolarHBondContact CA-O 3.48Å; N484-V487 CarbonylContact O-C 3.59Å; V487-K491 HydrophobicContact CG1-CB 4.16Å; V487-M492 HydrophobicContact CG1-CG 3.8Å; V487-M492 HydrophobicContact CG1-SD 4.32Å; V487-Y508 HydrophobicContact CB-CE1 4.5Å; V487-Y508 HydrophobicContact CG2-CD1 3.85Å; V487-Y508 HydrophobicContact CG2-CE1 3.18Å; V487-Y508 HydrophobicContact CG2-CE2 4.29Å; V487-Y508 VanDerWaalsContact CG2-CZ 3.42Å
488	S	93.4	Very high	92.1	Very high	43 Å²	43	82 Å²	82	30%	0.301	42%	0.42	S	S	.	.			trans	-65.9	141.5	177	67	0	0	0	0	111.7	N484 K490 K491	N484-S488 WeakPolarHBondContact O-CA 3.34Å; N484-S488 PolarHBondContact O-N 3.23Å; N484-S488 WeakPolarHBondContact OD1-CA 3.47Å; S488-K490 PolarHBondContact O-N 2.78Å; S488-K490 VanDerWaalsContact O-N 3.13Å; S488-K491 WeakPolarHBondContact O-CB 3.07Å; S488-K491 PolarHBondContact O-N 2.86Å; S488-K491 WeakPolarHBondContact OG-CG 3.18Å; S488-K491 PolarHBondContact OG-N 2.74Å
489	I	91	Very high	92.1	Very high	121 Å²	121	87 Å²	87	62%	0.621	45%	0.45	S	S	*	.	H	α-helix	trans	-52.6	-40.3	176.5	-65.1	169.4	0	0	0	111.4	N484 K491 M492 S493	N484-I489 PolarHBondContact OD1-N 3.4Å; I489-K491 PolarHBondContact O-N 2.77Å; I489-K491 VanDerWaalsContact O-N 3.11Å; I489-M492 PolarHBondContact O-N 3.2Å; I489-S493 PolarHBondContact O-N 3.29Å; I489-S493 PolarHBondContact O-OG 3.09Å
490	K	92.3	Very high	92.1	Very high	150 Å²	150	85.9 Å²	85.9	65%	0.652	44%	0.442	S	S	*	.	H	α-helix	trans	-56.5	-29.1	177	-167.4	-176.4	175.5	169.3	0	113.3	S488 Q494	S488-K490 PolarHBondContact O-N 2.78Å; S488-K490 VanDerWaalsContact O-N 3.13Å; K490-Q494 VanDerWaalsContact O-CD 3.23Å; K490-Q494 WeakPolarHBondContact O-CG 3.08Å; K490-Q494 PolarHBondContact O-N 3.16Å; K490-Q494 PolarHBondContact O-NE2 2.89Å
491	K	91.2	Very high	92.2	Very high	93 Å²	93	80.3 Å²	80.3	40%	0.404	41%	0.411	S	S	.	.	H	α-helix	trans	-78	-27.6	177.3	-74	-73.4	-179.8	-172.7	0	112.3	V487 S488 I489	V487-K491 HydrophobicContact CG1-CB 4.16Å; S488-K491 WeakPolarHBondContact O-CB 3.07Å; S488-K491 PolarHBondContact O-N 2.86Å; S488-K491 WeakPolarHBondContact OG-CG 3.18Å; S488-K491 PolarHBondContact OG-N 2.74Å; I489-K491 PolarHBondContact O-N 2.77Å; I489-K491 VanDerWaalsContact O-N 3.11Å
492	M	87	Confident	92.2	Very high	115 Å²	115	75.2 Å²	75.2	57%	0.567	39%	0.39	S	S	*	.	H	α-helix	trans	-78.5	-35.4	178.9	-55.4	-132.8	-57.9	0	0	111.9	F468 V487 I489	F468-M492 HydrophobicContact CD2-SD 3.46Å; F468-M492 WeakPolarHBondContact CD2-SD 3.28Å; F468-M492 HydrophobicContact CE1-CG 4.43Å; F468-M492 HydrophobicContact CE1-SD 4.4Å; F468-M492 HydrophobicContact CE2-CG 4.02Å; F468-M492 HydrophobicContact CE2-SD 3.18Å; F468-M492 WeakPolarHBondContact CE2-SD 3.45Å; F468-M492 HydrophobicContact CG-SD 4.2Å; F468-M492 HydrophobicContact CZ-CB 4.41Å; F468-M492 HydrophobicContact CZ-CG 3.89Å; F468-M492 HydrophobicContact CZ-SD 3.7Å; V487-M492 HydrophobicContact CG1-CG 3.8Å; V487-M492 HydrophobicContact CG1-SD 4.32Å; I489-M492 PolarHBondContact O-N 3.2Å
493	S	87.6	Confident	92.2	Very high	95 Å²	95	82.2 Å²	82.2	66%	0.664	42%	0.415	S	S	*	.	S	Bend	trans	-92.7	-0.5	-178.3	61	0	0	0	0	114.9	I489	I489-S493 PolarHBondContact O-N 3.29Å; I489-S493 PolarHBondContact O-OG 3.09Å
494	Q	91.2	Very high	92.2	Very high	70 Å²	70	82 Å²	82	33%	0.327	41%	0.414	S	S	.	.	S	Bend	trans	-69.2	132.5	179	-96.1	165	28.5	0	0	111.5	K490 I496	K490-Q494 VanDerWaalsContact O-CD 3.23Å; K490-Q494 WeakPolarHBondContact O-CG 3.08Å; K490-Q494 PolarHBondContact O-N 3.16Å; K490-Q494 PolarHBondContact O-NE2 2.89Å; Q494-I496 HydrophobicContact CB-CD1 3.78Å; Q494-I496 HydrophobicContact CB-CG1 3.95Å; Q494-I496 WeakPolarHBondContact O-CG1 3.49Å; Q494-I496 PolarHBondContact O-N 3.44Å
495	Y	89.5	Confident	92.1	Very high	191 Å²	191	84.1 Å²	84.1	75%	0.749	42%	0.416	S	S	*	.			trans	-69.2	116.2	169.5	-171.3	-92.9	0	0	0	110.2	R461	R461-Y495 HydrophobicContact CB-CE2 4.41Å
496	I	90.1	Very high	92.2	Very high	15 Å²	15	88.3 Å²	88.3	8%	0.077	42%	0.422	C	S	.	.			trans	-134.4	142.9	-168	-75	169.6	0	0	0	109.1	R461 Q494 H500 E501 L504	R461-I496 PolarHBondContact NH2-O 3.08Å; Q494-I496 HydrophobicContact CB-CD1 3.78Å; Q494-I496 HydrophobicContact CB-CG1 3.95Å; Q494-I496 WeakPolarHBondContact O-CG1 3.49Å; Q494-I496 PolarHBondContact O-N 3.44Å; I496-H500 HydrophobicContact CG2-CB 3.51Å; I496-H500 WeakPolarHBondContact CG2-ND1 3.45Å; I496-E501 HydrophobicContact CB-CG 4.38Å; I496-E501 HydrophobicContact CG2-CG 3.85Å; I496-E501 VanDerWaalsContact O-OE1 3.06Å; I496-L504 HydrophobicContact CD1-CD1 3.88Å
497	P	93.9	Very high	92.2	Very high	76 Å²	76	91.7 Å²	91.7	49%	0.494	44%	0.443	S	S	.	.			trans	-70.6	149	172.7	29.2	-35.3	0	0	0	112	T499 H500 E501	P497-T499 PolarHBondContact O-N 3.13Å; P497-T499 VanDerWaalsContact O-N 3.09Å; P497-H500 HydrophobicContact CG-CB 4.16Å; P497-H500 WeakPolarHBondContact O-CA 3.45Å; P497-H500 PolarHBondContact O-N 3.35Å; P497-E501 PolarHBondContact O-N 3.49Å; P497-E501 VanDerWaalsContact O-N 3.11Å
498	E	91.4	Very high	92.2	Very high	111 Å²	111	92.3 Å²	92.3	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-55.8	-34.5	-173.2	-170.5	172.6	-166.1	0	0	113.2	V464 H500 E501 H502	V464-E498 HydrophobicContact CG2-CG 3.95Å; E498-H500 VanDerWaalsContact C-N 3.3Å; E498-H500 PolarHBondContact O-N 3.18Å; E498-E501 WeakPolarHBondContact O-CB 3.43Å; E498-E501 PolarHBondContact O-N 2.72Å; E498-H502 PolarHBondContact O-CD2 3.03Å; E498-H502 PolarHBondContact O-N 2.99Å; E498-H502 IonicContact OE1-NE2 2.71Å
499	T	92.1	Very high	92.2	Very high	114 Å²	114	93.1 Å²	93.1	70%	0.699	45%	0.447	S	S	*	.	H	α-helix	trans	-58.9	-39.6	174.3	55.1	0	0	0	0	112.7	P497 R503	P497-T499 PolarHBondContact O-N 3.13Å; P497-T499 VanDerWaalsContact O-N 3.09Å; T499-R503 PolarHBondContact O-N 2.79Å
500	H	93.6	Very high	92.3	Very high	67 Å²	67	90.8 Å²	90.8	31%	0.31	44%	0.442	S	S	.	.	H	α-helix	trans	-78.2	-32.6	176.2	179.6	-101.2	0	0	0	111.8	I496 P497 E498 H502 R503 L504	I496-H500 HydrophobicContact CG2-CB 3.51Å; I496-H500 WeakPolarHBondContact CG2-ND1 3.45Å; P497-H500 HydrophobicContact CG-CB 4.16Å; P497-H500 WeakPolarHBondContact O-CA 3.45Å; P497-H500 PolarHBondContact O-N 3.35Å; E498-H500 VanDerWaalsContact C-N 3.3Å; E498-H500 PolarHBondContact O-N 3.18Å; H500-H502 PolarHBondContact O-N 3.35Å; H500-R503 PolarHBondContact O-N 3.15Å; H500-L504 VanDerWaalsContact CE1-CD1 3.41Å; H500-L504 WeakPolarHBondContact CE1-CD1 3.4Å; H500-L504 WeakPolarHBondContact O-CB 3.15Å; H500-L504 WeakPolarHBondContact O-CG 3.36Å; H500-L504 PolarHBondContact O-N 2.95Å
501	E	93.8	Very high	92.4	Very high	15 Å²	15	87.6 Å²	87.6	7%	0.07	43%	0.426	C	S	.	.	H	α-helix	trans	-58.8	-47	171.8	-61.4	174.5	-160.3	0	0	111.3	R461 V463 V464 I496 P497 E498 R503 L504 R505	R461-E501 IonicContact CZ-OE1 2.76Å; R461-E501 IonicContact NE-OE1 3.93Å; R461-E501 PolarHBondContact NE-OE1 3.27Å; R461-E501 IonicContact NH2-OE1 3.6Å; R461-E501 PolarHBondContact NH2-OE1 3.33Å; V463-E501 WeakPolarHBondContact CA-OE2 3.39Å; V463-E501 WeakPolarHBondContact CG1-OE2 3.19Å; V464-E501 HydrophobicContact CB-CB 4.19Å; V464-E501 HydrophobicContact CG2-CB 4.3Å; V464-E501 WeakPolarHBondContact CG2-OE2 3.29Å; V464-E501 PolarHBondContact N-OE2 3.34Å; I496-E501 HydrophobicContact CB-CG 4.38Å; I496-E501 HydrophobicContact CG2-CG 3.85Å; I496-E501 VanDerWaalsContact O-OE1 3.06Å; P497-E501 PolarHBondContact O-N 3.49Å; P497-E501 VanDerWaalsContact O-N 3.11Å; E498-E501 WeakPolarHBondContact O-CB 3.43Å; E498-E501 PolarHBondContact O-N 2.72Å; E501-R503 PolarHBondContact O-N 3.18Å; E501-L504 PolarHBondContact O-N 2.95Å; E501-R505 PolarHBondContact O-N 3.24Å
502	H	94.2	Very high	92.4	Very high	81 Å²	81	83.7 Å²	83.7	38%	0.375	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-40.1	174.4	-76.4	-64.4	0	0	0	112.9	E498 H500 R505 K506	E498-H502 PolarHBondContact O-CD2 3.03Å; E498-H502 PolarHBondContact O-N 2.99Å; E498-H502 IonicContact OE1-NE2 2.71Å; H500-H502 PolarHBondContact O-N 3.35Å; H502-R505 PolarHBondContact O-N 2.93Å; H502-K506 WeakPolarHBondContact O-CG 3.15Å; H502-K506 PolarHBondContact O-N 3.17Å; H502-K506 VanDerWaalsContact O-N 3.1Å
503	R	94.1	Very high	92.6	Very high	175 Å²	175	86.5 Å²	86.5	66%	0.66	42%	0.416	S	S	*	.	H	α-helix	trans	-63.7	-45.9	175.6	-178.1	179.4	176.2	147.2	-0.4	111	T499 H500 E501 R505 K506 V507	T499-R503 PolarHBondContact O-N 2.79Å; H500-R503 PolarHBondContact O-N 3.15Å; E501-R503 PolarHBondContact O-N 3.18Å; R503-R505 VanDerWaalsContact C-N 3.34Å; R503-R505 PolarHBondContact O-N 2.84Å; R503-K506 PolarHBondContact O-N 2.94Å; R503-V507 HydrophobicContact CG-CG2 4.35Å; R503-V507 VanDerWaalsContact O-CG2 3.3Å; R503-V507 WeakPolarHBondContact O-CG2 3.3Å; R503-V507 PolarHBondContact O-N 3.32Å
504	L	93.3	Very high	92.8	Very high	28 Å²	28	85.3 Å²	85.3	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-58.1	-47.2	176.7	-77.4	176.1	0	0	0	110.8	I496 H500 E501 K506 V507 Y508	I496-L504 HydrophobicContact CD1-CD1 3.88Å; H500-L504 VanDerWaalsContact CE1-CD1 3.41Å; H500-L504 WeakPolarHBondContact CE1-CD1 3.4Å; H500-L504 WeakPolarHBondContact O-CB 3.15Å; H500-L504 WeakPolarHBondContact O-CG 3.36Å; H500-L504 PolarHBondContact O-N 2.95Å; E501-L504 PolarHBondContact O-N 2.95Å; L504-K506 PolarHBondContact O-N 3.34Å; L504-V507 PolarHBondContact O-N 3.28Å; L504-Y508 HydrophobicContact CD2-CE2 4.13Å; L504-Y508 WeakPolarHBondContact O-CD2 3.34Å; L504-Y508 PolarHBondContact O-N 3.36Å
505	R	93.4	Very high	92.7	Very high	123 Å²	123	86.4 Å²	86.4	46%	0.464	41%	0.411	S	S	.	.	H	α-helix	trans	-53.5	-51.5	175.4	-176.6	178.9	170.8	-163.6	-1.8	111.1	E501 H502 R503 V507 Y508 T509	E501-R505 PolarHBondContact O-N 3.24Å; H502-R505 PolarHBondContact O-N 2.93Å; R503-R505 VanDerWaalsContact C-N 3.34Å; R503-R505 PolarHBondContact O-N 2.84Å; R505-V507 PolarHBondContact O-N 3.17Å; R505-Y508 PolarHBondContact O-N 3.47Å; R505-T509 WeakPolarHBondContact O-CB 3.42Å; R505-T509 PolarHBondContact O-N 3.2Å; R505-T509 PolarHBondContact O-OG1 2.94Å
506	K	94.2	Very high	92.8	Very high	154 Å²	154	80.7 Å²	80.7	67%	0.67	40%	0.403	S	S	*	.	H	α-helix	trans	-59.7	-45.3	178.4	-70.8	177.1	-178.8	179.6	0	112.8	H502 R503 L504 T509 S510	H502-K506 WeakPolarHBondContact O-CG 3.15Å; H502-K506 PolarHBondContact O-N 3.17Å; H502-K506 VanDerWaalsContact O-N 3.1Å; R503-K506 PolarHBondContact O-N 2.94Å; L504-K506 PolarHBondContact O-N 3.34Å; K506-T509 PolarHBondContact O-N 3.45Å; K506-S510 PolarHBondContact O-N 3.44Å; K506-S510 PolarHBondContact O-OG 3.45Å
507	V	94.6	Very high	92.7	Very high	76 Å²	76	83.1 Å²	83.1	46%	0.461	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-47.5	-179.8	169.1	0	0	0	0	110.8	R503 L504 R505 S510 R511	R503-V507 HydrophobicContact CG-CG2 4.35Å; R503-V507 VanDerWaalsContact O-CG2 3.3Å; R503-V507 WeakPolarHBondContact O-CG2 3.3Å; R503-V507 PolarHBondContact O-N 3.32Å; L504-V507 PolarHBondContact O-N 3.28Å; R505-V507 PolarHBondContact O-N 3.17Å; V507-S510 PolarHBondContact O-N 2.89Å; V507-R511 WeakPolarHBondContact O-CB 3.42Å; V507-R511 PolarHBondContact O-N 3.1Å
508	Y	95.2	Very high	92.6	Very high	26 Å²	26	80.3 Å²	80.3	10%	0.102	40%	0.396	C	S	.	.	H	α-helix	trans	-74.3	-32.6	-179	-82.1	-72.5	0	0	0	113.5	F468 G469 V487 L504 R505 S510 R511 G512	F468-Y508 HydrophobicContact CB-CD1 4.33Å; F468-Y508 HydrophobicContact CB-CG 4.27Å; F468-Y508 HydrophobicContact CD1-CD1 4.44Å; F468-Y508 AromaticContact CD1-CD2 3.62Å; F468-Y508 HydrophobicContact CD1-CD2 3.62Å; F468-Y508 AromaticContact CD1-CE2 3.73Å; F468-Y508 HydrophobicContact CD1-CE2 3.73Å; F468-Y508 AromaticContact CD1-CG 3.99Å; F468-Y508 HydrophobicContact CD1-CG 3.99Å; F468-Y508 HydrophobicContact CE1-CD2 4.27Å; F468-Y508 HydrophobicContact CE1-CE2 4.18Å; F468-Y508 WeakPolarHBondContact O-CD1 3.19Å; G469-Y508 WeakPolarHBondContact CA-O 3.43Å; V487-Y508 HydrophobicContact CB-CE1 4.5Å; V487-Y508 HydrophobicContact CG2-CD1 3.85Å; V487-Y508 HydrophobicContact CG2-CE1 3.18Å; V487-Y508 HydrophobicContact CG2-CE2 4.29Å; V487-Y508 VanDerWaalsContact CG2-CZ 3.42Å; L504-Y508 HydrophobicContact CD2-CE2 4.13Å; L504-Y508 WeakPolarHBondContact O-CD2 3.34Å; L504-Y508 PolarHBondContact O-N 3.36Å; R505-Y508 PolarHBondContact O-N 3.47Å; Y508-S510 VanDerWaalsContact C-N 3.3Å; Y508-S510 PolarHBondContact O-N 2.71Å; Y508-R511 PolarHBondContact O-N 3.28Å; Y508-G512 PolarHBondContact O-N 2.9Å
509	T	93.4	Very high	92.5	Very high	59 Å²	59	79.6 Å²	79.6	36%	0.362	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-42.3	169.2	-55	0	0	0	0	110.9	R505 K506 R513	R505-T509 WeakPolarHBondContact O-CB 3.42Å; R505-T509 PolarHBondContact O-N 3.2Å; R505-T509 PolarHBondContact O-OG1 2.94Å; K506-T509 PolarHBondContact O-N 3.45Å; T509-R513 PolarHBondContact O-N 2.88Å
510	S	92.9	Very high	92.4	Very high	72 Å²	72	81.7 Å²	81.7	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-69.8	-36.4	175.2	-66	0	0	0	0	113.2	K506 V507 Y508 R513	K506-S510 PolarHBondContact O-N 3.44Å; K506-S510 PolarHBondContact O-OG 3.45Å; V507-S510 PolarHBondContact O-N 2.89Å; Y508-S510 VanDerWaalsContact C-N 3.3Å; Y508-S510 PolarHBondContact O-N 2.71Å; S510-R513 PolarHBondContact O-N 2.79Å; S510-R513 PolarHBondContact OG-NH1 3.25Å
511	R	93	Very high	92.3	Very high	84 Å²	84	80.2 Å²	80.2	32%	0.317	38%	0.381	S	S	.	.	H	α-helix	trans	-66.7	-37.8	175.1	-170.8	175.2	171.3	153.1	-6.6	112.1	W486 V507 Y508 R513 N514	W486-R511 HydrophobicContact CH2-CG 3.75Å; W486-R511 HydrophobicContact CZ2-CB 4.39Å; W486-R511 HydrophobicContact CZ2-CG 3.78Å; V507-R511 WeakPolarHBondContact O-CB 3.42Å; V507-R511 PolarHBondContact O-N 3.1Å; Y508-R511 PolarHBondContact O-N 3.28Å; R511-R513 PolarHBondContact O-N 3.45Å; R511-N514 WeakPolarHBondContact O-CB 3.3Å; R511-N514 PolarHBondContact O-N 3.32Å
512	G	92.1	Very high	92.2	Very high	11 Å²	11	79.5 Å²	79.5	11%	0.113	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-23.1	176.8	0	0	0	0	0	114	G469 Y508 N514 K518	G469-G512 WeakPolarHBondContact O-CA 3.17Å; Y508-G512 PolarHBondContact O-N 2.9Å; G512-N514 PolarHBondContact O-N 3.05Å; G512-K518 WeakPolarHBondContact O-CE 3.49Å
513	R	92	Very high	92	Very high	173 Å²	173	83.7 Å²	83.7	65%	0.653	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-11	171.8	-65.4	-178.6	-171.4	105.5	-1	113.6	T509 S510 R511 D515	T509-R513 PolarHBondContact O-N 2.88Å; S510-R513 PolarHBondContact O-N 2.79Å; S510-R513 PolarHBondContact OG-NH1 3.25Å; R511-R513 PolarHBondContact O-N 3.45Å; R513-D515 PolarHBondContact O-N 2.88Å
514	N	91.5	Very high	91.7	Very high	71 Å²	71	77 Å²	77	38%	0.38	37%	0.371	S	S	.	.			trans	-92	86.5	179.4	-168.6	-25.2	0	0	0	109.6	R511 G512 A516 L517 K518	R511-N514 WeakPolarHBondContact O-CB 3.3Å; R511-N514 PolarHBondContact O-N 3.32Å; G512-N514 PolarHBondContact O-N 3.05Å; N514-A516 PolarHBondContact O-N 2.85Å; N514-A516 PolarHBondContact OD1-N 3.49Å; N514-L517 HydrophobicContact CB-CB 4.23Å; N514-L517 HydrophobicContact CB-CD1 3.96Å; N514-L517 HydrophobicContact CB-CG 4.2Å; N514-L517 WeakPolarHBondContact ND2-CD1 3.45Å; N514-L517 WeakPolarHBondContact O-CB 3.45Å; N514-L517 PolarHBondContact O-N 3.39Å; N514-L517 PolarHBondContact OD1-N 3.33Å; N514-K518 PolarHBondContact O-N 3.36Å; N514-K518 VanDerWaalsContact O-N 3.12Å
515	D	88.3	Confident	91.4	Very high	93 Å²	93	77.5 Å²	77.5	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-35.5	-178.2	-68.8	-7.5	0	0	0	112.3	R513 L517 K518 R519	R513-D515 PolarHBondContact O-N 2.88Å; D515-L517 VanDerWaalsContact C-N 3.27Å; D515-L517 PolarHBondContact O-N 3.06Å; D515-K518 PolarHBondContact O-N 3.12Å; D515-K518 VanDerWaalsContact O-N 3.14Å; D515-R519 WeakPolarHBondContact O-CB 3.43Å; D515-R519 VanDerWaalsContact O-CG 3.29Å; D515-R519 WeakPolarHBondContact O-CG 3.32Å; D515-R519 PolarHBondContact O-N 3.28Å
516	A	91	Very high	91	Very high	71 Å²	71	73.3 Å²	73.3	59%	0.587	36%	0.358	S	S	*	.	H	α-helix	trans	-61.6	-36.2	176.9	0	0	0	0	0	112.1	N514 K520	N514-A516 PolarHBondContact O-N 2.85Å; N514-A516 PolarHBondContact OD1-N 3.49Å; A516-K520 WeakPolarHBondContact O-CB 3.46Å; A516-K520 PolarHBondContact O-N 3.45Å; A516-K520 VanDerWaalsContact O-N 3.12Å
517	L	89.4	Confident	89.9	Confident	65 Å²	65	66.9 Å²	66.9	34%	0.34	34%	0.335	S	S	.	.	H	α-helix	trans	-71.3	-40.7	173.5	-71.2	177.7	0	0	0	112	W486 N514 D515 K520 I521	W486-L517 HydrophobicContact CH2-CB 4.48Å; W486-L517 HydrophobicContact CZ3-CB 4.18Å; N514-L517 HydrophobicContact CB-CB 4.23Å; N514-L517 HydrophobicContact CB-CD1 3.96Å; N514-L517 HydrophobicContact CB-CG 4.2Å; N514-L517 WeakPolarHBondContact ND2-CD1 3.45Å; N514-L517 WeakPolarHBondContact O-CB 3.45Å; N514-L517 PolarHBondContact O-N 3.39Å; N514-L517 PolarHBondContact OD1-N 3.33Å; D515-L517 VanDerWaalsContact C-N 3.27Å; D515-L517 PolarHBondContact O-N 3.06Å; L517-K520 PolarHBondContact O-N 3.06Å; L517-I521 WeakPolarHBondContact O-CG1 3.42Å; L517-I521 PolarHBondContact O-N 3.36Å
518	K	91.2	Very high	88.3	Confident	18 Å²	18	70.2 Å²	70.2	8%	0.078	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-50.8	174.8	-77.2	-170.2	169.2	-167.7	0	110.8	G469 E474 W486 G512 N514 D515 K520 I521 L522 Y526	G469-K518 WeakPolarHBondContact O-CE 3.44Å; G469-K518 PolarHBondContact O-NZ 3.04Å; G469-K518 VanDerWaalsContact O-NZ 3.09Å; E474-K518 VanDerWaalsContact CD-NZ 3.25Å; E474-K518 IonicContact OE1-NZ 2.8Å; E474-K518 PolarHBondContact OE1-NZ 3.27Å; E474-K518 IonicContact OE2-NZ 3.91Å; E474-K518 PolarHBondContact OE2-NZ 3.32Å; W486-K518 HydrophobicContact CH2-CG 3.61Å; W486-K518 HydrophobicContact CZ2-CG 4.26Å; W486-K518 HydrophobicContact CZ3-CG 3.96Å; G512-K518 WeakPolarHBondContact O-CE 3.49Å; N514-K518 PolarHBondContact O-N 3.36Å; N514-K518 VanDerWaalsContact O-N 3.12Å; D515-K518 PolarHBondContact O-N 3.12Å; D515-K518 VanDerWaalsContact O-N 3.14Å; K518-K520 VanDerWaalsContact C-N 3.27Å; K518-K520 PolarHBondContact O-N 3.12Å; K518-I521 PolarHBondContact O-N 3.14Å; K518-L522 WeakPolarHBondContact O-CA 3.29Å; K518-L522 WeakPolarHBondContact O-CB 3.48Å; K518-L522 PolarHBondContact O-N 3.38Å; K518-Y526 HydrophobicContact CB-CE2 3.97Å
519	R	88.6	Confident	86.5	Confident	95 Å²	95	73.3 Å²	73.3	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-36.6	178.4	-66.5	-176.7	-179.4	-87.4	-4.6	112.8	D515 Y526 E529	D515-R519 WeakPolarHBondContact O-CB 3.43Å; D515-R519 VanDerWaalsContact O-CG 3.29Å; D515-R519 WeakPolarHBondContact O-CG 3.32Å; D515-R519 PolarHBondContact O-N 3.28Å; R519-Y526 HydrophobicContact CB-CD2 4.49Å; R519-Y526 HydrophobicContact CB-CG 4.3Å; R519-Y526 HydrophobicContact CG-CD1 3.97Å; R519-Y526 HydrophobicContact CG-CD2 4.09Å; R519-Y526 HydrophobicContact CG-CG 3.67Å; R519-E529 IonicContact NH1-OE2 3.42Å; R519-E529 PolarHBondContact NH1-OE2 3.18Å
520	K	90.1	Very high	84.7	Confident	159 Å²	159	76.2 Å²	76.2	69%	0.691	37%	0.37	S	S	*	.	H	α-helix	trans	-70.9	-37.8	178.3	-175	176.9	-179.6	179.4	0	113.3	A516 L517 K518	A516-K520 WeakPolarHBondContact O-CB 3.46Å; A516-K520 PolarHBondContact O-N 3.45Å; A516-K520 VanDerWaalsContact O-N 3.12Å; L517-K520 PolarHBondContact O-N 3.06Å; K518-K520 VanDerWaalsContact C-N 3.27Å; K518-K520 PolarHBondContact O-N 3.12Å
521	I	92	Very high	82.8	Confident	35 Å²	35	80 Å²	80	18%	0.179	38%	0.38	C	S	.	.	H	α-helix	trans	-89.7	-48.3	-175.1	-66.4	170.9	0	0	0	110.9	E482 A485 W486 L517 K518 R523	E482-I521 WeakPolarHBondContact O-CG2 3.47Å; A485-I521 HydrophobicContact CB-CG2 4.18Å; W486-I521 HydrophobicContact CB-CG2 4.07Å; W486-I521 HydrophobicContact CE3-CB 4.03Å; W486-I521 HydrophobicContact CE3-CD1 3.49Å; W486-I521 VanDerWaalsContact CE3-CD1 3.49Å; W486-I521 HydrophobicContact CE3-CG1 4.32Å; W486-I521 HydrophobicContact CE3-CG2 4.09Å; W486-I521 HydrophobicContact CZ3-CD1 3.81Å; L517-I521 WeakPolarHBondContact O-CG1 3.42Å; L517-I521 PolarHBondContact O-N 3.36Å; K518-I521 PolarHBondContact O-N 3.14Å; I521-R523 PolarHBondContact O-N 3.42Å; I521-R523 VanDerWaalsContact O-N 3.13Å
522	L	91.5	Very high	81	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	38%	0.382	C	S	.	.			trans	-88.3	60.6	178.8	-55.5	179.9	0	0	0	110.1	L470 A478 E482 L483 K518 S524 I525 Y526	L470-L522 HydrophobicContact CD2-CD1 3.72Å; A478-L522 HydrophobicContact CB-CD2 3.94Å; E482-L522 HydrophobicContact CB-CD2 3.93Å; E482-L522 WeakPolarHBondContact OE2-CA 3.41Å; L483-L522 HydrophobicContact CD2-CD2 4.31Å; K518-L522 WeakPolarHBondContact O-CA 3.29Å; K518-L522 WeakPolarHBondContact O-CB 3.48Å; K518-L522 PolarHBondContact O-N 3.38Å; L522-S524 PolarHBondContact O-N 2.83Å; L522-I525 PolarHBondContact O-N 3.31Å; L522-Y526 HydrophobicContact CB-CD2 4.06Å; L522-Y526 HydrophobicContact CB-CE2 4.28Å; L522-Y526 HydrophobicContact CD1-CE2 4.35Å; L522-Y526 WeakPolarHBondContact O-CD2 3.1Å; L522-Y526 PolarHBondContact O-N 3.22Å; L522-Y526 VanDerWaalsContact O-N 3.16Å
523	R	89.4	Confident	79.2	Confident	169 Å²	169	83 Å²	83	64%	0.638	40%	0.402	S	S	*	.	H	α-helix	trans	-67.2	-27	-177.2	-172.5	162.7	60.6	-120.6	1.7	111.5	E482 I521 I525 G527	E482-R523 PolarHBondContact OE1-N 2.97Å; E482-R523 PolarHBondContact OE2-N 3.35Å; I521-R523 PolarHBondContact O-N 3.42Å; I521-R523 VanDerWaalsContact O-N 3.13Å; R523-I525 PolarHBondContact O-N 2.7Å; R523-G527 WeakPolarHBondContact O-CA 3.48Å; R523-G527 PolarHBondContact O-N 3.44Å
524	S	87.6	Confident	77.4	Confident	35 Å²	35	78 Å²	78	25%	0.245	39%	0.394	C	S	.	.	H	α-helix	trans	-62	-32.1	175.6	-164.1	0	0	0	0	113.2	N479 E482 L522	N479-S524 WeakPolarHBondContact ND2-CB 3.45Å; N479-S524 PolarHBondContact ND2-OG 2.86Å; E482-S524 PolarHBondContact OE1-N 3.18Å; E482-S524 WeakPolarHBondContact OE2-CB 3.35Å; E482-S524 PolarHBondContact OE2-N 3.19Å; L522-S524 PolarHBondContact O-N 2.83Å
525	I	88.3	Confident	75.7	Confident	38 Å²	38	77.1 Å²	77.1	20%	0.195	39%	0.393	C	S	.	.	H	α-helix	trans	-90.6	-47.5	-178.3	-63.1	174.9	0	0	0	110.7	E474 K477 A478 L522 R523	E474-I525 HydrophobicContact CB-CD1 4.22Å; E474-I525 WeakPolarHBondContact O-CD1 3.29Å; K477-I525 HydrophobicContact CB-CD1 4.04Å; K477-I525 HydrophobicContact CB-CG1 4.06Å; A478-I525 HydrophobicContact CB-CD1 3.7Å; A478-I525 HydrophobicContact CB-CG1 4.33Å; L522-I525 PolarHBondContact O-N 3.31Å; R523-I525 PolarHBondContact O-N 2.7Å
526	Y	84.1	Confident	74	Confident	36 Å²	36	79.9 Å²	79.9	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-99.5	-17.9	-171.7	-63	-73.8	0	0	0	114.1	E474 K518 R519 L522 E529	E474-Y526 PolarHBondContact OE1-OH 2.76Å; K518-Y526 HydrophobicContact CB-CE2 3.97Å; R519-Y526 HydrophobicContact CB-CD2 4.49Å; R519-Y526 HydrophobicContact CB-CG 4.3Å; R519-Y526 HydrophobicContact CG-CD1 3.97Å; R519-Y526 HydrophobicContact CG-CD2 4.09Å; R519-Y526 HydrophobicContact CG-CG 3.67Å; L522-Y526 HydrophobicContact CB-CD2 4.06Å; L522-Y526 HydrophobicContact CB-CE2 4.28Å; L522-Y526 HydrophobicContact CD1-CE2 4.35Å; L522-Y526 WeakPolarHBondContact O-CD2 3.1Å; L522-Y526 PolarHBondContact O-N 3.22Å; L522-Y526 VanDerWaalsContact O-N 3.16Å; Y526-E529 PolarHBondContact O-N 3.43Å
527	G	70.8	Confident	72.3	Confident	18 Å²	18	82.2 Å²	82.2	19%	0.186	40%	0.403	C	S	.	.	H	α-helix	trans	-74.2	-32.9	-177.9	0	0	0	0	0	113	R523 E529 E530 E531	R523-G527 WeakPolarHBondContact O-CA 3.48Å; R523-G527 PolarHBondContact O-N 3.44Å; G527-E529 PolarHBondContact O-N 2.79Å; G527-E530 PolarHBondContact O-N 3.32Å; G527-E530 VanDerWaalsContact O-N 3.13Å; G527-E531 PolarHBondContact O-N 3.17Å; G527-E531 VanDerWaalsContact O-N 3.08Å
528	E	62.2	Low	70.6	Confident	146 Å²	146	82 Å²	82	68%	0.682	41%	0.41	S	S	*	.	H	α-helix	trans	-61.5	-34.9	174.2	-64.9	-170.4	168.6	0	0	111.5	E531 A532	E528-E531 PolarHBondContact O-N 3.41Å; E528-A532 WeakPolarHBondContact O-CB 3.16Å; E528-A532 PolarHBondContact O-N 2.79Å
529	E	56.7	Low	68.8	Low	92 Å²	92	90 Å²	90	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-65.3	-38.8	174.9	-61.6	-170.4	152.9	0	0	112.1	R519 Y526 G527 A532 Q533	R519-E529 IonicContact NH1-OE2 3.42Å; R519-E529 PolarHBondContact NH1-OE2 3.18Å; Y526-E529 PolarHBondContact O-N 3.43Å; G527-E529 PolarHBondContact O-N 2.79Å; E529-A532 PolarHBondContact O-N 3.41Å; E529-Q533 WeakPolarHBondContact O-CB 3.48Å; E529-Q533 VanDerWaalsContact O-CG 3.29Å; E529-Q533 WeakPolarHBondContact O-CG 3.39Å; E529-Q533 PolarHBondContact O-N 3.22Å
530	E	55.1	Low	67.1	Low	120 Å²	120	91.4 Å²	91.4	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-72.3	-33.5	178.4	-73.4	-152.8	179.2	0	0	112.4	G527 A532 Q533 S534	G527-E530 PolarHBondContact O-N 3.32Å; G527-E530 VanDerWaalsContact O-N 3.13Å; E530-A532 VanDerWaalsContact C-N 3.33Å; E530-Q533 PolarHBondContact O-N 3.09Å; E530-S534 WeakPolarHBondContact O-CA 3.24Å; E530-S534 WeakPolarHBondContact O-CB 3.41Å; E530-S534 PolarHBondContact O-N 2.94Å; E530-S534 PolarHBondContact O-OG 3.37Å
531	E	53.7	Low	65.3	Low	150 Å²	150	86.4 Å²	86.4	70%	0.701	44%	0.439	S	S	*	.	H	α-helix	trans	-65.9	-38.5	170.4	-69.7	-161.1	174.8	0	0	111.3	G527 E528 S534 S535	G527-E531 PolarHBondContact O-N 3.17Å; G527-E531 VanDerWaalsContact O-N 3.08Å; E528-E531 PolarHBondContact O-N 3.41Å; E531-S534 WeakPolarHBondContact CA-OG 3.48Å; E531-S534 PolarHBondContact O-OG 2.79Å; E531-S535 WeakPolarHBondContact O-CB 3.25Å; E531-S535 PolarHBondContact O-N 3.09Å; E531-S535 PolarHBondContact O-OG 3.41Å
532	A	55.2	Low	63.4	Low	45 Å²	45	91.8 Å²	91.8	37%	0.372	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-38.4	174.3	0	0	0	0	0	113	E528 E529 E530 S535 K536	E528-A532 WeakPolarHBondContact O-CB 3.16Å; E528-A532 PolarHBondContact O-N 2.79Å; E529-A532 PolarHBondContact O-N 3.41Å; E530-A532 VanDerWaalsContact C-N 3.33Å; A532-S535 WeakPolarHBondContact CA-OG 3.36Å; A532-S535 PolarHBondContact O-OG 3.23Å; A532-K536 WeakPolarHBondContact O-CB 3.22Å; A532-K536 VanDerWaalsContact O-CG 3.24Å; A532-K536 WeakPolarHBondContact O-CG 3.47Å; A532-K536 PolarHBondContact O-N 2.92Å
533	Q	55.4	Low	61.4	Low	114 Å²	114	100.8 Å²	100.8	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-77.4	-41.7	178.5	-73.7	-176.2	12.2	0	0	112.3	E529 E530 S535 K536 L537	E529-Q533 WeakPolarHBondContact O-CB 3.48Å; E529-Q533 VanDerWaalsContact O-CG 3.29Å; E529-Q533 WeakPolarHBondContact O-CG 3.39Å; E529-Q533 PolarHBondContact O-N 3.22Å; E530-Q533 PolarHBondContact O-N 3.09Å; Q533-S535 VanDerWaalsContact C-N 3.34Å; Q533-K536 PolarHBondContact O-N 3.18Å; Q533-L537 WeakPolarHBondContact O-CB 3.44Å; Q533-L537 WeakPolarHBondContact O-CG 3.37Å; Q533-L537 PolarHBondContact O-N 3.39Å
534	S	53.9	Low	59.5	Low	68 Å²	68	99.6 Å²	99.6	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-38.4	175.8	63.6	0	0	0	0	111.3	E530 E531 L537 A538	E530-S534 WeakPolarHBondContact O-CA 3.24Å; E530-S534 WeakPolarHBondContact O-CB 3.41Å; E530-S534 PolarHBondContact O-N 2.94Å; E530-S534 PolarHBondContact O-OG 3.37Å; E531-S534 WeakPolarHBondContact CA-OG 3.48Å; E531-S534 PolarHBondContact O-OG 2.79Å; S534-L537 PolarHBondContact O-N 3.4Å; S534-A538 WeakPolarHBondContact O-CB 3.24Å; S534-A538 PolarHBondContact O-N 2.94Å
535	S	55.1	Low	57.5	Low	52 Å²	52	104.2 Å²	104.2	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-36.8	172.6	59	0	0	0	0	112.5	E531 A532 Q533 R539	E531-S535 WeakPolarHBondContact O-CB 3.25Å; E531-S535 PolarHBondContact O-N 3.09Å; E531-S535 PolarHBondContact O-OG 3.41Å; A532-S535 WeakPolarHBondContact CA-OG 3.36Å; A532-S535 PolarHBondContact O-OG 3.23Å; Q533-S535 VanDerWaalsContact C-N 3.34Å; S535-R539 WeakPolarHBondContact O-CB 3.42Å; S535-R539 VanDerWaalsContact O-CG 3.22Å; S535-R539 WeakPolarHBondContact O-CG 3.07Å; S535-R539 PolarHBondContact O-N 3.49Å; S535-R539 VanDerWaalsContact O-N 3.09Å
536	K	53.3	Low	55.2	Low	151 Å²	151	106 Å²	106	66%	0.657	55%	0.549	S	S	*	.	H	α-helix	trans	-67.5	-45.5	172.3	-76.1	176.4	-176.2	179.6	0	112.6	A532 Q533 R539 H540	A532-K536 WeakPolarHBondContact O-CB 3.22Å; A532-K536 VanDerWaalsContact O-CG 3.24Å; A532-K536 WeakPolarHBondContact O-CG 3.47Å; A532-K536 PolarHBondContact O-N 2.92Å; Q533-K536 PolarHBondContact O-N 3.18Å; K536-R539 PolarHBondContact O-N 3.34Å; K536-H540 PolarHBondContact O-N 3.49Å
537	L	55.1	Low	53.2	Low	120 Å²	120	115.5 Å²	115.5	63%	0.628	59%	0.585	S	S	*	*	H	α-helix	trans	-65.2	-39.8	177.6	-80.4	163.4	0	0	0	111.5	Q533 S534 H540 A541	Q533-L537 WeakPolarHBondContact O-CB 3.44Å; Q533-L537 WeakPolarHBondContact O-CG 3.37Å; Q533-L537 PolarHBondContact O-N 3.39Å; S534-L537 PolarHBondContact O-N 3.4Å; L537-H540 PolarHBondContact O-N 3Å; L537-A541 VanDerWaalsContact O-CB 3.24Å; L537-A541 WeakPolarHBondContact O-CB 3.45Å; L537-A541 PolarHBondContact O-N 3.16Å
538	A	54.4	Low	51.9	Low	61 Å²	61	120.4 Å²	120.4	50%	0.504	60%	0.601	S	S	.	*	H	α-helix	trans	-61.1	-45.2	173.9	0	0	0	0	0	111.1	S534 H540 A541 E542	S534-A538 WeakPolarHBondContact O-CB 3.24Å; S534-A538 PolarHBondContact O-N 2.94Å; A538-H540 VanDerWaalsContact C-N 3.32Å; A538-H540 PolarHBondContact O-N 3.41Å; A538-A541 PolarHBondContact O-N 2.91Å; A538-E542 WeakPolarHBondContact O-CB 3.22Å; A538-E542 PolarHBondContact O-N 2.97Å
539	R	53.1	Low	51.2	Low	187 Å²	187	116.4 Å²	116.4	71%	0.706	59%	0.593	S	S	*	*	H	α-helix	trans	-62.5	-36.8	174.4	-73.5	173.2	-177.7	-169.7	3	112.6	S535 K536 K543	S535-R539 WeakPolarHBondContact O-CB 3.42Å; S535-R539 VanDerWaalsContact O-CG 3.22Å; S535-R539 WeakPolarHBondContact O-CG 3.07Å; S535-R539 PolarHBondContact O-N 3.49Å; S535-R539 VanDerWaalsContact O-N 3.09Å; K536-R539 PolarHBondContact O-N 3.34Å; R539-K543 PolarHBondContact O-N 3.49Å
540	H	52.4	Low	51	Low	124 Å²	124	117.9 Å²	117.9	57%	0.574	60%	0.604	S	S	*	*	H	α-helix	trans	-76.4	-34.9	179.3	-144.7	-67.2	0	0	0	112.6	K536 L537 A538 K543 Q544	K536-H540 PolarHBondContact O-N 3.49Å; L537-H540 PolarHBondContact O-N 3Å; A538-H540 VanDerWaalsContact C-N 3.32Å; A538-H540 PolarHBondContact O-N 3.41Å; H540-K543 PolarHBondContact O-N 2.99Å; H540-Q544 PolarHBondContact O-N 3.1Å
541	A	52.2	Low	51.1	Low	54 Å²	54	115 Å²	115	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-70	-35.4	174.9	0	0	0	0	0	111.9	L537 A538 K543 Q544 Q545	L537-A541 VanDerWaalsContact O-CB 3.24Å; L537-A541 WeakPolarHBondContact O-CB 3.45Å; L537-A541 PolarHBondContact O-N 3.16Å; A538-A541 PolarHBondContact O-N 2.91Å; A541-K543 VanDerWaalsContact C-N 3.27Å; A541-K543 PolarHBondContact O-N 2.97Å; A541-Q544 PolarHBondContact O-N 2.86Å; A541-Q544 VanDerWaalsContact O-N 3.11Å; A541-Q545 PolarHBondContact O-N 3.1Å
542	E	51.2	Low	51.4	Low	148 Å²	148	114.7 Å²	114.7	69%	0.692	59%	0.593	S	S	*	*	H	α-helix	trans	-62.7	-35.3	174.3	-161.6	173.9	-165.8	0	0	111.5	A538 Q544	A538-E542 WeakPolarHBondContact O-CB 3.22Å; A538-E542 PolarHBondContact O-N 2.97Å; E542-Q544 PolarHBondContact O-N 3.33Å
543	K	49.7	Very low	51.7	Low	189 Å²	189	112.8 Å²	112.8	82%	0.822	58%	0.576	S	S	*	*	H	α-helix	trans	-71.9	-24.1	173	-84	-176.1	176.1	178.9	0	114.5	R539 H540 A541	R539-K543 PolarHBondContact O-N 3.49Å; H540-K543 PolarHBondContact O-N 2.99Å; A541-K543 VanDerWaalsContact C-N 3.27Å; A541-K543 PolarHBondContact O-N 2.97Å
544	Q	50.6	Low	51.9	Low	144 Å²	144	111.2 Å²	111.2	67%	0.673	58%	0.583	S	S	*	*	H	α-helix	trans	-95.8	-6.8	177	-68.5	-158.3	2.7	0	0	114.4	H540 A541 E542 G546 R547	H540-Q544 PolarHBondContact O-N 3.1Å; A541-Q544 PolarHBondContact O-N 2.86Å; A541-Q544 VanDerWaalsContact O-N 3.11Å; E542-Q544 PolarHBondContact O-N 3.33Å; Q544-G546 PolarHBondContact O-N 3.39Å; Q544-R547 PolarHBondContact O-N 3.11Å
545	Q	45.4	Very low	52.3	Low	132 Å²	132	116 Å²	116	62%	0.617	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	13	176.8	-105.3	-173.9	13.8	0	0	115.3	A541 R547	A541-Q545 PolarHBondContact O-N 3.1Å; Q545-R547 VanDerWaalsContact C-N 3.32Å
546	G	40	Very low	52.9	Low	74 Å²	74	117.1 Å²	117.1	76%	0.763	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-13.6	163.6	0	0	0	0	0	114.9	Q544	Q544-G546 PolarHBondContact O-N 3.39Å
547	R	41.7	Very low	54	Low	237 Å²	237	113.3 Å²	113.3	89%	0.894	59%	0.585	S	S	*	*	S	Bend	trans	-119.8	82.8	-179.4	-77.2	-178.9	157.2	-175.5	-5.7	111.5	Q544 Q545 A549	Q544-R547 PolarHBondContact O-N 3.11Å; Q545-R547 VanDerWaalsContact C-N 3.32Å; R547-A549 PolarHBondContact O-N 2.86Å
548	K	44.5	Very low	54.8	Low	121 Å²	121	111.1 Å²	111.1	53%	0.526	58%	0.578	S	S	.	*			trans	-64.9	127.3	174.2	-61.6	-173.2	179.8	-177.9	0	109.1	D550 N582	K548-D550 PolarHBondContact O-N 2.93Å; K548-D550 VanDerWaalsContact O-N 3.12Å; K548-N582 HydrophobicContact CD-CB 4.37Å
549	A	45.9	Very low	55.8	Low	62 Å²	62	116.2 Å²	116.2	51%	0.512	59%	0.589	S	S	.	*			trans	-65.6	110.2	176.5	0	0	0	0	0	109.4	R547 V551	R547-A549 PolarHBondContact O-N 2.86Å; A549-V551 PolarHBondContact O-N 3.27Å
550	D	52.9	Low	56.8	Low	123 Å²	123	111.5 Å²	111.5	66%	0.658	58%	0.575	S	S	*	*			trans	-73.1	110.9	170.7	-77.9	-35.1	0	0	0	108.3	K548 Q552	K548-D550 PolarHBondContact O-N 2.93Å; K548-D550 VanDerWaalsContact O-N 3.12Å; D550-Q552 PolarHBondContact O-N 3.2Å
551	V	57.5	Low	57.9	Low	58 Å²	58	106.1 Å²	106.1	35%	0.352	55%	0.55	S	S	.	*			trans	-65.6	110.4	175	-173.6	0	0	0	0	108.1	A549 L553 V581 L586	A549-V551 PolarHBondContact O-N 3.27Å; V551-L553 HydrophobicContact CB-CD1 4.05Å; V551-L553 HydrophobicContact CG1-CD1 3.58Å; V551-L553 PolarHBondContact O-N 3.02Å; V551-V581 HydrophobicContact CG2-CB 4.49Å; V551-V581 HydrophobicContact CG2-CG1 3.77Å; V551-V581 HydrophobicContact CG2-CG2 3.83Å; V551-L586 HydrophobicContact CB-CD1 3.79Å; V551-L586 HydrophobicContact CG1-CD1 4.17Å; V551-L586 HydrophobicContact CG2-CD1 4.02Å
552	Q	60.7	Low	59	Low	145 Å²	145	111.2 Å²	111.2	68%	0.678	56%	0.562	S	S	*	*			trans	-69.5	98.9	176	-63.7	-179.4	7.7	0	0	109.5	D550	D550-Q552 PolarHBondContact O-N 3.2Å
553	L	60.4	Low	60.3	Low	5 Å²	5	113 Å²	113	3%	0.026	56%	0.563	C	S	.	*			trans	-90.8	-14.7	171.1	-92.9	82.3	0	0	0	113.1	V551 E555 L561 L586 I590 F595	V551-L553 HydrophobicContact CB-CD1 4.05Å; V551-L553 HydrophobicContact CG1-CD1 3.58Å; V551-L553 PolarHBondContact O-N 3.02Å; L553-E555 VanDerWaalsContact C-N 3.3Å; L553-E555 PolarHBondContact O-N 2.96Å; L553-L561 HydrophobicContact CD2-CD2 4.37Å; L553-L561 WeakPolarHBondContact O-CD1 3.29Å; L553-L586 HydrophobicContact CD1-CD1 3.59Å; L553-I590 HydrophobicContact CD2-CG1 3.81Å; L553-F595 HydrophobicContact CB-CE1 3.74Å; L553-F595 HydrophobicContact CB-CZ 4.44Å; L553-F595 HydrophobicContact CD2-CE1 3.81Å; L553-F595 HydrophobicContact CD2-CZ 3.67Å; L553-F595 HydrophobicContact CG-CE1 4.41Å
554	A	59.4	Low	61.4	Low	81 Å²	81	105.6 Å²	105.6	67%	0.669	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.1	-167.3	0	0	0	0	0	114.3
555	E	62.8	Low	62.8	Low	167 Å²	167	101.3 Å²	101.3	78%	0.78	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	1	-172.4	-58.5	-168.9	171.2	0	0	114.2	L553	L553-E555 VanDerWaalsContact C-N 3.3Å; L553-E555 PolarHBondContact O-N 2.96Å
556	K	67.8	Low	64.4	Low	76 Å²	76	97.5 Å²	97.5	33%	0.33	51%	0.506	S	S	.	.			trans	-83.7	138.1	-174.7	-67.8	-174.7	-177.4	177.2	0	111.4	E560 L561 T564	K556-E560 HydrophobicContact CB-CB 3.98Å; K556-E560 HydrophobicContact CG-CB 4.46Å; K556-L561 HydrophobicContact CB-CB 4.39Å; K556-L561 HydrophobicContact CB-CD1 3.97Å; K556-L561 HydrophobicContact CB-CG 4.3Å; K556-L561 WeakPolarHBondContact O-CD1 3.1Å; K556-T564 HydrophobicContact CD-CG2 3.83Å; K556-T564 VanDerWaalsContact NZ-CG2 3.31Å
557	T	76.1	Confident	66.1	Low	71 Å²	71	99.9 Å²	99.9	44%	0.436	50%	0.5	S	S	.	.			trans	-60.6	154.2	171.4	62.7	0	0	0	0	110.2	K559 E560 L561	T557-K559 PolarHBondContact O-N 3.04Å; T557-E560 WeakPolarHBondContact CB-OE2 3.46Å; T557-E560 WeakPolarHBondContact CG2-OE2 3.45Å; T557-E560 PolarHBondContact N-OE2 3.36Å; T557-E560 PolarHBondContact O-N 3.41Å; T557-E560 VanDerWaalsContact OG1-CG 3.22Å; T557-E560 WeakPolarHBondContact OG1-CG 3.44Å; T557-E560 PolarHBondContact OG1-N 3.24Å; T557-E560 PolarHBondContact OG1-OE2 3.3Å; T557-L561 WeakPolarHBondContact O-CB 3.5Å; T557-L561 PolarHBondContact O-N 3.31Å
558	P	72.9	Confident	67.7	Low	75 Å²	75	89.8 Å²	89.8	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-54.7	-31	-179.1	-27.6	34.2	0	0	0	114.4	K562	P558-K562 WeakPolarHBondContact O-CG 3.23Å; P558-K562 PolarHBondContact O-N 3.3Å; P558-K562 VanDerWaalsContact O-N 3.11Å
559	K	74.2	Confident	69.3	Low	167 Å²	167	87.4 Å²	87.4	73%	0.726	46%	0.464	S	S	*	.	H	α-helix	trans	-70.2	-45.5	174.6	-84.4	-177.9	177.8	176.9	0	112	T557 L561 K562 R563	T557-K559 PolarHBondContact O-N 3.04Å; K559-L561 VanDerWaalsContact C-N 3.31Å; K559-K562 PolarHBondContact O-N 3.01Å; K559-R563 WeakPolarHBondContact O-CG 3.45Å; K559-R563 PolarHBondContact O-N 3.2Å; K559-R563 VanDerWaalsContact O-N 3.12Å
560	E	75.1	Confident	71	Confident	89 Å²	89	90.9 Å²	90.9	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-39.7	176.1	-71.1	163.9	158.7	0	0	111.2	K556 T557 K562 R563 T564	K556-E560 HydrophobicContact CB-CB 3.98Å; K556-E560 HydrophobicContact CG-CB 4.46Å; T557-E560 WeakPolarHBondContact CB-OE2 3.46Å; T557-E560 WeakPolarHBondContact CG2-OE2 3.45Å; T557-E560 PolarHBondContact N-OE2 3.36Å; T557-E560 PolarHBondContact O-N 3.41Å; T557-E560 VanDerWaalsContact OG1-CG 3.22Å; T557-E560 WeakPolarHBondContact OG1-CG 3.44Å; T557-E560 PolarHBondContact OG1-N 3.24Å; T557-E560 PolarHBondContact OG1-OE2 3.3Å; E560-K562 PolarHBondContact O-N 3.49Å; E560-R563 PolarHBondContact O-N 3.29Å; E560-T564 VanDerWaalsContact O-CG2 3.24Å; E560-T564 WeakPolarHBondContact O-CG2 3.28Å; E560-T564 PolarHBondContact O-N 3.48Å; E560-T564 PolarHBondContact O-OG1 2.76Å
561	L	74.8	Confident	72.4	Confident	11 Å²	11	86.7 Å²	86.7	6%	0.058	45%	0.451	C	S	.	.	H	α-helix	trans	-61.5	-46.8	178.5	-134.4	136.2	0	0	0	110.6	L553 K556 T557 K559 R563 T564 I565 F595	L553-L561 HydrophobicContact CD2-CD2 4.37Å; L553-L561 WeakPolarHBondContact O-CD1 3.29Å; K556-L561 HydrophobicContact CB-CB 4.39Å; K556-L561 HydrophobicContact CB-CD1 3.97Å; K556-L561 HydrophobicContact CB-CG 4.3Å; K556-L561 WeakPolarHBondContact O-CD1 3.1Å; T557-L561 WeakPolarHBondContact O-CB 3.5Å; T557-L561 PolarHBondContact O-N 3.31Å; K559-L561 VanDerWaalsContact C-N 3.31Å; L561-R563 PolarHBondContact O-N 2.87Å; L561-T564 WeakPolarHBondContact CA-OG1 3.14Å; L561-T564 PolarHBondContact O-N 3.42Å; L561-T564 PolarHBondContact O-OG1 3.28Å; L561-I565 HydrophobicContact CD2-CD1 3.76Å; L561-I565 HydrophobicContact CD2-CG1 4.46Å; L561-I565 VanDerWaalsContact O-CG1 3.25Å; L561-I565 WeakPolarHBondContact O-CG1 3.36Å; L561-I565 PolarHBondContact O-N 3.28Å; L561-F595 HydrophobicContact CD1-CB 4.09Å; L561-F595 HydrophobicContact CD1-CD1 3.46Å; L561-F595 VanDerWaalsContact CD1-CD1 3.46Å; L561-F595 HydrophobicContact CD1-CE1 4.08Å; L561-F595 HydrophobicContact CD1-CG 3.78Å; L561-F595 HydrophobicContact CD2-CB 4.32Å; L561-F595 HydrophobicContact CD2-CD1 3.62Å; L561-F595 HydrophobicContact CD2-CD2 3.5Å; L561-F595 VanDerWaalsContact CD2-CD2 3.5Å; L561-F595 HydrophobicContact CD2-CE1 3.75Å; L561-F595 HydrophobicContact CD2-CE2 3.6Å; L561-F595 HydrophobicContact CD2-CG 3.5Å; L561-F595 VanDerWaalsContact CD2-CG 3.5Å; L561-F595 HydrophobicContact CD2-CZ 3.73Å; L561-F595 HydrophobicContact CG-CD1 4.14Å; L561-F595 HydrophobicContact CG-CE1 4.4Å; L561-F595 HydrophobicContact CG-CG 4.31Å
562	K	76.6	Confident	73.7	Confident	160 Å²	160	88.6 Å²	88.6	70%	0.696	46%	0.463	S	S	*	.	H	α-helix	trans	-57.5	-45.6	172.6	-78.2	-177.6	179.7	-172.5	0	113.1	P558 K559 E560 T564 I565 A566	P558-K562 WeakPolarHBondContact O-CG 3.23Å; P558-K562 PolarHBondContact O-N 3.3Å; P558-K562 VanDerWaalsContact O-N 3.11Å; K559-K562 PolarHBondContact O-N 3.01Å; E560-K562 PolarHBondContact O-N 3.49Å; K562-T564 VanDerWaalsContact C-N 3.33Å; K562-T564 PolarHBondContact O-N 3.4Å; K562-I565 PolarHBondContact O-N 3.18Å; K562-A566 PolarHBondContact O-N 3.32Å
563	R	77	Confident	75	Confident	187 Å²	187	84.9 Å²	84.9	71%	0.706	45%	0.448	S	S	*	.	H	α-helix	trans	-61.5	-42	176.9	-73.1	177.6	178.8	168.1	-2.3	111.7	K559 E560 L561 A566 L567	K559-R563 WeakPolarHBondContact O-CG 3.45Å; K559-R563 PolarHBondContact O-N 3.2Å; K559-R563 VanDerWaalsContact O-N 3.12Å; E560-R563 PolarHBondContact O-N 3.29Å; L561-R563 PolarHBondContact O-N 2.87Å; R563-A566 PolarHBondContact O-N 2.94Å; R563-L567 PolarHBondContact O-N 2.97Å
564	T	73.1	Confident	76.1	Confident	33 Å²	33	87.9 Å²	87.9	20%	0.202	47%	0.473	C	S	.	.	H	α-helix	trans	-69.7	-36.8	179.5	58.6	0	0	0	0	112.4	K556 E560 L561 K562 L567 V568	K556-T564 HydrophobicContact CD-CG2 3.83Å; K556-T564 VanDerWaalsContact NZ-CG2 3.31Å; E560-T564 VanDerWaalsContact O-CG2 3.24Å; E560-T564 WeakPolarHBondContact O-CG2 3.28Å; E560-T564 PolarHBondContact O-N 3.48Å; E560-T564 PolarHBondContact O-OG1 2.76Å; L561-T564 WeakPolarHBondContact CA-OG1 3.14Å; L561-T564 PolarHBondContact O-N 3.42Å; L561-T564 PolarHBondContact O-OG1 3.28Å; K562-T564 VanDerWaalsContact C-N 3.33Å; K562-T564 PolarHBondContact O-N 3.4Å; T564-L567 PolarHBondContact O-N 3.12Å; T564-V568 WeakPolarHBondContact O-CB 3.29Å; T564-V568 WeakPolarHBondContact O-CG2 3.23Å; T564-V568 PolarHBondContact O-N 3.26Å
565	I	80.1	Confident	77.2	Confident	54 Å²	54	90.6 Å²	90.6	28%	0.277	47%	0.466	S	S	.	.	H	α-helix	trans	-63.7	-44.8	174.8	-69.6	168.8	0	0	0	110.3	L561 K562 V568 S569 I590	L561-I565 HydrophobicContact CD2-CD1 3.76Å; L561-I565 HydrophobicContact CD2-CG1 4.46Å; L561-I565 VanDerWaalsContact O-CG1 3.25Å; L561-I565 WeakPolarHBondContact O-CG1 3.36Å; L561-I565 PolarHBondContact O-N 3.28Å; K562-I565 PolarHBondContact O-N 3.18Å; I565-V568 PolarHBondContact O-N 2.97Å; I565-S569 PolarHBondContact O-N 3.48Å; I565-S569 PolarHBondContact O-OG 2.91Å; I565-I590 HydrophobicContact CB-CG2 4.43Å; I565-I590 HydrophobicContact CD1-CG2 3.86Å; I565-I590 HydrophobicContact CG1-CD1 4.24Å; I565-I590 HydrophobicContact CG1-CG1 4.1Å; I565-I590 HydrophobicContact CG1-CG2 3.71Å; I565-I590 HydrophobicContact CG2-CG2 3.92Å
566	A	80	Confident	78	Confident	52 Å²	52	83 Å²	83	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-40.4	177.4	0	0	0	0	0	112.3	K562 R563 V568 S569	K562-A566 PolarHBondContact O-N 3.32Å; R563-A566 PolarHBondContact O-N 2.94Å; A566-V568 VanDerWaalsContact C-N 3.32Å; A566-V568 PolarHBondContact O-N 3.44Å; A566-S569 PolarHBondContact O-OG 3.46Å
567	L	75.4	Confident	78.6	Confident	123 Å²	123	84.9 Å²	84.9	64%	0.644	44%	0.441	S	S	*	.	H	α-helix	trans	-65.5	-38	176.2	-158.2	97.2	0	0	0	111.7	R563 T564 L571	R563-L567 PolarHBondContact O-N 2.97Å; T564-L567 PolarHBondContact O-N 3.12Å; L567-L571 VanDerWaalsContact O-CD1 3.29Å; L567-L571 WeakPolarHBondContact O-CD1 3.32Å
568	V	75.3	Confident	78.7	Confident	25 Å²	25	85.6 Å²	85.6	15%	0.152	45%	0.454	C	S	.	.	H	α-helix	trans	-75.4	-32.3	-178.2	168.7	0	0	0	0	112.2	T564 I565 A566 D570 L571 M576 L586 I590	T564-V568 WeakPolarHBondContact O-CB 3.29Å; T564-V568 WeakPolarHBondContact O-CG2 3.23Å; T564-V568 PolarHBondContact O-N 3.26Å; I565-V568 PolarHBondContact O-N 2.97Å; A566-V568 VanDerWaalsContact C-N 3.32Å; A566-V568 PolarHBondContact O-N 3.44Å; V568-D570 PolarHBondContact O-N 2.84Å; V568-L571 PolarHBondContact O-N 3.25Å; V568-M576 HydrophobicContact CG1-CE 4.12Å; V568-M576 HydrophobicContact CG1-SD 4.5Å; V568-L586 HydrophobicContact CB-CD2 4.31Å; V568-L586 HydrophobicContact CG1-CD2 3.53Å; V568-L586 HydrophobicContact CG1-CG 4.25Å; V568-L586 HydrophobicContact CG2-CD2 3.71Å; V568-I590 HydrophobicContact CB-CD1 4.14Å; V568-I590 HydrophobicContact CG1-CD1 3.69Å
569	S	77.3	Confident	79	Confident	72 Å²	72	89.2 Å²	89.2	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-30.1	179.3	55.2	0	0	0	0	112.8	I565 A566	I565-S569 PolarHBondContact O-N 3.48Å; I565-S569 PolarHBondContact O-OG 2.91Å; A566-S569 PolarHBondContact O-OG 3.46Å
570	D	81.1	Confident	78.9	Confident	135 Å²	135	82.8 Å²	82.8	72%	0.722	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-5	-174.7	-58.5	-4.7	0	0	0	112.4	V568	V568-D570 PolarHBondContact O-N 2.84Å
571	L	81.9	Confident	79.1	Confident	34 Å²	34	79.6 Å²	79.6	18%	0.178	43%	0.427	C	S	.	.	S	Bend	trans	-88.7	125.9	-179.9	-107.3	73.4	0	0	0	111.6	L567 V568 R575 M576	L567-L571 VanDerWaalsContact O-CD1 3.29Å; L567-L571 WeakPolarHBondContact O-CD1 3.32Å; V568-L571 PolarHBondContact O-N 3.25Å; L571-R575 HydrophobicContact CD2-CG 4.17Å; L571-R575 HydrophobicContact CG-CG 4.24Å; L571-M576 HydrophobicContact CB-CG 3.98Å; L571-M576 HydrophobicContact CB-SD 4.07Å; L571-M576 HydrophobicContact CD2-CG 4.26Å; L571-M576 HydrophobicContact CD2-SD 3.86Å
572	T	86.5	Confident	79.5	Confident	99 Å²	99	81.1 Å²	81.1	61%	0.607	44%	0.435	S	S	*	.			trans	-62.3	146.5	172.8	-35.3	0	0	0	0	111.2	A574 R575 M576	T572-A574 PolarHBondContact O-N 3Å; T572-R575 WeakPolarHBondContact O-CB 3.37Å; T572-R575 PolarHBondContact O-N 3.41Å; T572-M576 WeakPolarHBondContact O-CG 3.42Å; T572-M576 PolarHBondContact O-N 3Å
573	D	87	Confident	79.8	Confident	67 Å²	67	73.9 Å²	73.9	36%	0.358	40%	0.404	S	S	.	.	H	α-helix	trans	-56.8	-35.9	178.8	-75.5	-0.5	0	0	0	112.7	M576 Q577 P583 R587	D573-M576 WeakPolarHBondContact O-CB 3.31Å; D573-M576 PolarHBondContact O-N 2.87Å; D573-Q577 VanDerWaalsContact O-CG 3.29Å; D573-Q577 WeakPolarHBondContact O-CG 3.38Å; D573-Q577 PolarHBondContact O-N 3.15Å; D573-P583 HydrophobicContact CB-CB 4.21Å; D573-P583 HydrophobicContact CB-CG 4.14Å; D573-R587 IonicContact OD1-CZ 3.36Å; D573-R587 IonicContact OD1-NE 2.76Å; D573-R587 PolarHBondContact OD1-NE 2.84Å; D573-R587 IonicContact OD1-NH2 3.15Å; D573-R587 PolarHBondContact OD1-NH2 3.47Å
574	A	83.4	Confident	80.1	Confident	68 Å²	68	72.8 Å²	72.8	56%	0.562	40%	0.404	S	S	*	.	H	α-helix	trans	-63.5	-42	174.1	0	0	0	0	0	112.4	T572 M576 Q577 A578	T572-A574 PolarHBondContact O-N 3Å; A574-M576 VanDerWaalsContact C-N 3.34Å; A574-M576 PolarHBondContact O-N 3.31Å; A574-Q577 PolarHBondContact O-N 3.47Å; A574-A578 PolarHBondContact O-N 3.43Å
575	R	82.3	Confident	80.4	Confident	137 Å²	137	76.9 Å²	76.9	52%	0.517	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-39.1	177.9	-174.9	164.1	-177.2	-176.5	1.9	111.3	L571 T572 A578 Y579	L571-R575 HydrophobicContact CD2-CG 4.17Å; L571-R575 HydrophobicContact CG-CG 4.24Å; T572-R575 WeakPolarHBondContact O-CB 3.37Å; T572-R575 PolarHBondContact O-N 3.41Å; R575-A578 WeakPolarHBondContact O-CB 3.39Å; R575-A578 PolarHBondContact O-N 3.32Å; R575-Y579 HydrophobicContact CG-CD2 4.24Å; R575-Y579 HydrophobicContact CG-CE2 3.79Å; R575-Y579 WeakPolarHBondContact O-CD2 3.49Å; R575-Y579 PolarHBondContact O-N 2.9Å
576	M	80	Confident	80.5	Confident	8 Å²	8	74.9 Å²	74.9	4%	0.039	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-43	175.2	-69.5	-83.2	-73.3	0	0	112.3	V568 L571 T572 D573 A574 A578 Y579 G580 V581 P583 L586	V568-M576 HydrophobicContact CG1-CE 4.12Å; V568-M576 HydrophobicContact CG1-SD 4.5Å; L571-M576 HydrophobicContact CB-CG 3.98Å; L571-M576 HydrophobicContact CB-SD 4.07Å; L571-M576 HydrophobicContact CD2-CG 4.26Å; L571-M576 HydrophobicContact CD2-SD 3.86Å; T572-M576 WeakPolarHBondContact O-CG 3.42Å; T572-M576 PolarHBondContact O-N 3Å; D573-M576 WeakPolarHBondContact O-CB 3.31Å; D573-M576 PolarHBondContact O-N 2.87Å; A574-M576 VanDerWaalsContact C-N 3.34Å; A574-M576 PolarHBondContact O-N 3.31Å; M576-A578 VanDerWaalsContact C-N 3.34Å; M576-Y579 PolarHBondContact O-N 3.07Å; M576-G580 PolarHBondContact O-N 3.43Å; M576-V581 CarbonylContact C-O 3.4Å; M576-V581 HydrophobicContact CE-CB 4.5Å; M576-V581 HydrophobicContact CE-CG1 3.88Å; M576-V581 PolarHBondContact O-N 2.91Å; M576-P583 HydrophobicContact CB-CB 4.24Å; M576-P583 HydrophobicContact CE-CB 4.5Å; M576-L586 HydrophobicContact CE-CB 3.99Å; M576-L586 HydrophobicContact CE-CD2 3.27Å; M576-L586 HydrophobicContact CE-CG 4.19Å; M576-L586 HydrophobicContact SD-CD2 4.3Å
577	Q	80.4	Confident	80.7	Confident	116 Å²	116	78 Å²	78	54%	0.542	41%	0.41	S	S	.	.	H	α-helix	trans	-66.2	-35.7	175.8	-71.1	173.3	22.2	0	0	112.2	D573 A574 Y579 G580 P583	D573-Q577 VanDerWaalsContact O-CG 3.29Å; D573-Q577 WeakPolarHBondContact O-CG 3.38Å; D573-Q577 PolarHBondContact O-N 3.15Å; A574-Q577 PolarHBondContact O-N 3.47Å; Q577-Y579 PolarHBondContact O-N 3.01Å; Q577-G580 WeakPolarHBondContact O-CA 3.25Å; Q577-G580 PolarHBondContact O-N 3.42Å; Q577-P583 HydrophobicContact CG-CG 4.25Å
578	A	78.7	Confident	81	Confident	85 Å²	85	76.4 Å²	76.4	70%	0.702	40%	0.402	S	S	*	.	H	α-helix	trans	-61.1	-30.7	174.5	0	0	0	0	0	112.6	A574 R575 M576 G580	A574-A578 PolarHBondContact O-N 3.43Å; R575-A578 WeakPolarHBondContact O-CB 3.39Å; R575-A578 PolarHBondContact O-N 3.32Å; M576-A578 VanDerWaalsContact C-N 3.34Å; A578-G580 VanDerWaalsContact C-N 3.27Å; A578-G580 PolarHBondContact O-N 3.37Å
579	Y	78.6	Confident	81.2	Confident	151 Å²	151	80.9 Å²	80.9	59%	0.592	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	9.4	171.4	-67.5	-68.8	0	0	0	113.8	R575 M576 Q577 V581	R575-Y579 HydrophobicContact CG-CD2 4.24Å; R575-Y579 HydrophobicContact CG-CE2 3.79Å; R575-Y579 WeakPolarHBondContact O-CD2 3.49Å; R575-Y579 PolarHBondContact O-N 2.9Å; M576-Y579 PolarHBondContact O-N 3.07Å; Q577-Y579 PolarHBondContact O-N 3.01Å; Y579-V581 PolarHBondContact O-N 2.88Å
580	G	72.9	Confident	81.4	Confident	33 Å²	33	79.2 Å²	79.2	34%	0.34	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	12.1	-179.3	0	0	0	0	0	114.5	M576 Q577 A578	M576-G580 PolarHBondContact O-N 3.43Å; Q577-G580 WeakPolarHBondContact O-CA 3.25Å; Q577-G580 PolarHBondContact O-N 3.42Å; A578-G580 VanDerWaalsContact C-N 3.27Å; A578-G580 PolarHBondContact O-N 3.37Å
581	V	78.9	Confident	81.3	Confident	22 Å²	22	80 Å²	80	13%	0.133	40%	0.401	C	S	.	.			trans	-94.3	130.1	-179.8	-178.5	0	0	0	0	110	V551 M576 Y579 P583 L586	V551-V581 HydrophobicContact CG2-CB 4.49Å; V551-V581 HydrophobicContact CG2-CG1 3.77Å; V551-V581 HydrophobicContact CG2-CG2 3.83Å; M576-V581 CarbonylContact C-O 3.4Å; M576-V581 HydrophobicContact CE-CB 4.5Å; M576-V581 HydrophobicContact CE-CG1 3.88Å; M576-V581 PolarHBondContact O-N 2.91Å; Y579-V581 PolarHBondContact O-N 2.88Å; V581-P583 VanDerWaalsContact O-CD 3.23Å; V581-P583 WeakPolarHBondContact O-CD 3.41Å; V581-L586 HydrophobicContact CG1-CB 4.08Å; V581-L586 HydrophobicContact CG1-CD2 4.05Å
582	N	82	Confident	81.2	Confident	43 Å²	43	85.9 Å²	85.9	23%	0.23	42%	0.423	C	S	.	.			trans	-77.9	111.4	176.1	-176.5	-26.9	0	0	0	110.4	K548 K584 K585 L586	K548-N582 HydrophobicContact CD-CB 4.37Å; N582-K584 VanDerWaalsContact C-N 3.34Å; N582-K584 PolarHBondContact O-N 3.23Å; N582-K584 PolarHBondContact OD1-N 3.47Å; N582-K585 HydrophobicContact CB-CB 4.03Å; N582-K585 HydrophobicContact CB-CD 4.23Å; N582-K585 HydrophobicContact CB-CG 4.15Å; N582-K585 PolarHBondContact O-N 3Å; N582-K585 PolarHBondContact OD1-N 2.86Å; N582-L586 PolarHBondContact O-N 3.37Å
583	P	84.2	Confident	80.5	Confident	8 Å²	8	82.2 Å²	82.2	5%	0.052	40%	0.404	C	S	.	.	H	α-helix	trans	-62.8	-38.8	-172.5	23.6	-32.8	0	0	0	112.4	D573 M576 Q577 V581 L586 R587	D573-P583 HydrophobicContact CB-CB 4.21Å; D573-P583 HydrophobicContact CB-CG 4.14Å; M576-P583 HydrophobicContact CB-CB 4.24Å; M576-P583 HydrophobicContact CE-CB 4.5Å; Q577-P583 HydrophobicContact CG-CG 4.25Å; V581-P583 VanDerWaalsContact O-CD 3.23Å; V581-P583 WeakPolarHBondContact O-CD 3.41Å; P583-L586 PolarHBondContact O-N 3.21Å; P583-R587 VanDerWaalsContact O-CB 3.32Å; P583-R587 WeakPolarHBondContact O-CB 3.3Å; P583-R587 VanDerWaalsContact O-CG 3.23Å; P583-R587 WeakPolarHBondContact O-CG 3.38Å; P583-R587 PolarHBondContact O-N 2.77Å
584	K	82	Confident	79.6	Confident	163 Å²	163	88.1 Å²	88.1	71%	0.709	43%	0.429	S	S	*	.	H	α-helix	trans	-63.7	-44.8	177.2	-69.4	-176.2	-179.8	178.6	0	111.5	N582 N588	N582-K584 VanDerWaalsContact C-N 3.34Å; N582-K584 PolarHBondContact O-N 3.23Å; N582-K584 PolarHBondContact OD1-N 3.47Å; K584-N588 VanDerWaalsContact O-CB 3.28Å; K584-N588 WeakPolarHBondContact O-CB 3.24Å; K584-N588 VanDerWaalsContact O-CG 3.24Å; K584-N588 PolarHBondContact O-N 2.87Å
585	K	81	Confident	78.7	Confident	119 Å²	119	87.3 Å²	87.3	52%	0.517	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-45.2	177.8	-74.8	-170.3	174.2	-170.5	0	111.5	N582 N588 K589	N582-K585 HydrophobicContact CB-CB 4.03Å; N582-K585 HydrophobicContact CB-CD 4.23Å; N582-K585 HydrophobicContact CB-CG 4.15Å; N582-K585 PolarHBondContact O-N 3Å; N582-K585 PolarHBondContact OD1-N 2.86Å; K585-N588 PolarHBondContact O-N 3.49Å; K585-K589 WeakPolarHBondContact O-CB 3.03Å; K585-K589 PolarHBondContact O-N 2.85Å
586	L	81.9	Confident	77.5	Confident	13 Å²	13	85.5 Å²	85.5	7%	0.068	42%	0.422	C	S	.	.	H	α-helix	trans	-65.6	-46.8	-179.1	-170.3	65.8	0	0	0	111.5	V551 L553 V568 M576 V581 N582 P583 N588 K589 I590	V551-L586 HydrophobicContact CB-CD1 3.79Å; V551-L586 HydrophobicContact CG1-CD1 4.17Å; V551-L586 HydrophobicContact CG2-CD1 4.02Å; L553-L586 HydrophobicContact CD1-CD1 3.59Å; V568-L586 HydrophobicContact CB-CD2 4.31Å; V568-L586 HydrophobicContact CG1-CD2 3.53Å; V568-L586 HydrophobicContact CG1-CG 4.25Å; V568-L586 HydrophobicContact CG2-CD2 3.71Å; M576-L586 HydrophobicContact CE-CB 3.99Å; M576-L586 HydrophobicContact CE-CD2 3.27Å; M576-L586 HydrophobicContact CE-CG 4.19Å; M576-L586 HydrophobicContact SD-CD2 4.3Å; V581-L586 HydrophobicContact CG1-CB 4.08Å; V581-L586 HydrophobicContact CG1-CD2 4.05Å; N582-L586 PolarHBondContact O-N 3.37Å; P583-L586 PolarHBondContact O-N 3.21Å; L586-N588 VanDerWaalsContact C-N 3.33Å; L586-N588 PolarHBondContact O-N 3.11Å; L586-K589 WeakPolarHBondContact O-CB 3.43Å; L586-K589 PolarHBondContact O-N 2.81Å; L586-K589 VanDerWaalsContact O-N 3.15Å; L586-I590 HydrophobicContact CG-CD1 4.11Å; L586-I590 WeakPolarHBondContact O-CG1 3.47Å; L586-I590 PolarHBondContact O-N 3.12Å
587	R	83.9	Confident	76.2	Confident	118 Å²	118	90.8 Å²	90.8	45%	0.445	45%	0.454	S	S	.	.	H	α-helix	trans	-60.9	-41.6	177.2	-69.9	178.7	-171.7	-117.1	5	111.5	D573 P583 I590 K591	D573-R587 IonicContact OD1-CZ 3.36Å; D573-R587 IonicContact OD1-NE 2.76Å; D573-R587 PolarHBondContact OD1-NE 2.84Å; D573-R587 IonicContact OD1-NH2 3.15Å; D573-R587 PolarHBondContact OD1-NH2 3.47Å; P583-R587 VanDerWaalsContact O-CB 3.32Å; P583-R587 WeakPolarHBondContact O-CB 3.3Å; P583-R587 VanDerWaalsContact O-CG 3.23Å; P583-R587 WeakPolarHBondContact O-CG 3.38Å; P583-R587 PolarHBondContact O-N 2.77Å; R587-I590 PolarHBondContact O-N 3.21Å; R587-K591 VanDerWaalsContact O-CB 3.31Å; R587-K591 WeakPolarHBondContact O-CB 3.22Å; R587-K591 PolarHBondContact O-N 3.43Å
588	N	81.7	Confident	74.8	Confident	89 Å²	89	90.1 Å²	90.1	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-64.9	-39.8	174.2	-76.5	-2.9	0	0	0	112.2	K584 K585 L586 I590 K591 Y592	K584-N588 VanDerWaalsContact O-CB 3.28Å; K584-N588 WeakPolarHBondContact O-CB 3.24Å; K584-N588 VanDerWaalsContact O-CG 3.24Å; K584-N588 PolarHBondContact O-N 2.87Å; K585-N588 PolarHBondContact O-N 3.49Å; L586-N588 VanDerWaalsContact C-N 3.33Å; L586-N588 PolarHBondContact O-N 3.11Å; N588-I590 VanDerWaalsContact C-N 3.31Å; N588-I590 PolarHBondContact O-N 2.84Å; N588-K591 PolarHBondContact O-N 2.96Å; N588-Y592 HydrophobicContact CB-CD2 4.18Å; N588-Y592 WeakPolarHBondContact O-CB 3.47Å; N588-Y592 WeakPolarHBondContact O-CD2 3.41Å; N588-Y592 PolarHBondContact O-N 3.39Å
589	K	79.7	Confident	73.4	Confident	118 Å²	118	94.6 Å²	94.6	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-64.4	-36.6	175.8	-163.1	80.2	175.2	-173.2	0	111.3	K585 L586 G593 F595	K585-K589 WeakPolarHBondContact O-CB 3.03Å; K585-K589 PolarHBondContact O-N 2.85Å; L586-K589 WeakPolarHBondContact O-CB 3.43Å; L586-K589 PolarHBondContact O-N 2.81Å; L586-K589 VanDerWaalsContact O-N 3.15Å; K589-G593 WeakPolarHBondContact O-CA 3.33Å; K589-G593 PolarHBondContact O-N 3.29Å; K589-F595 VanDerWaalsContact O-CZ 3.3Å; K589-F595 WeakPolarHBondContact O-CZ 3.5Å
590	I	81	Confident	71.9	Confident	37 Å²	37	96.6 Å²	96.6	19%	0.19	48%	0.481	C	S	.	.	H	α-helix	trans	-69.4	-42.5	174.7	-69.5	168.1	0	0	0	111.2	L553 I565 V568 L586 R587 N588	L553-I590 HydrophobicContact CD2-CG1 3.81Å; I565-I590 HydrophobicContact CB-CG2 4.43Å; I565-I590 HydrophobicContact CD1-CG2 3.86Å; I565-I590 HydrophobicContact CG1-CD1 4.24Å; I565-I590 HydrophobicContact CG1-CG1 4.1Å; I565-I590 HydrophobicContact CG1-CG2 3.71Å; I565-I590 HydrophobicContact CG2-CG2 3.92Å; V568-I590 HydrophobicContact CB-CD1 4.14Å; V568-I590 HydrophobicContact CG1-CD1 3.69Å; L586-I590 HydrophobicContact CG-CD1 4.11Å; L586-I590 WeakPolarHBondContact O-CG1 3.47Å; L586-I590 PolarHBondContact O-N 3.12Å; R587-I590 PolarHBondContact O-N 3.21Å; N588-I590 VanDerWaalsContact C-N 3.31Å; N588-I590 PolarHBondContact O-N 2.84Å
591	K	79.1	Confident	70.8	Confident	151 Å²	151	100.7 Å²	100.7	66%	0.657	50%	0.502	S	S	*	.	H	α-helix	trans	-76.6	-38	-174.3	-168.5	176.5	-179	-171.1	0	113.6	R587 N588	R587-K591 VanDerWaalsContact O-CB 3.31Å; R587-K591 WeakPolarHBondContact O-CB 3.22Å; R587-K591 PolarHBondContact O-N 3.43Å; N588-K591 PolarHBondContact O-N 2.96Å
592	Y	79.4	Confident	69.3	Low	159 Å²	159	104 Å²	104	62%	0.624	53%	0.531	S	S	*	.	H	α-helix	trans	-117.4	-3.4	-173.7	-54.8	-71.9	0	0	0	113.2	N588 H594	N588-Y592 HydrophobicContact CB-CD2 4.18Å; N588-Y592 WeakPolarHBondContact O-CB 3.47Å; N588-Y592 WeakPolarHBondContact O-CD2 3.41Å; N588-Y592 PolarHBondContact O-N 3.39Å; Y592-H594 PolarHBondContact O-N 3.14Å
593	G	72.5	Confident	67.4	Low	22 Å²	22	112 Å²	112	23%	0.227	56%	0.564	C	S	.	*			trans	-67.8	126.4	177.9	0	0	0	0	0	110.8	K589 F595	K589-G593 WeakPolarHBondContact O-CA 3.33Å; K589-G593 PolarHBondContact O-N 3.29Å; G593-F595 WeakPolarHBondContact O-CD2 3.47Å; G593-F595 WeakPolarHBondContact O-CE2 3.4Å; G593-F595 PolarHBondContact O-N 3.02Å; G593-F595 VanDerWaalsContact O-N 3.14Å
594	H	67.6	Low	65.5	Low	190 Å²	190	123.9 Å²	123.9	88%	0.88	62%	0.619	S	S	*	*			trans	-79	95.4	171.8	-150.9	-68.2	0	0	0	108.4	Y592	Y592-H594 PolarHBondContact O-N 3.14Å
595	F	65.5	Low	64.6	Low	52 Å²	52	122 Å²	122	23%	0.228	61%	0.614	C	S	.	*			trans	-84	114.9	172	-52.5	-65.5	0	0	0	107.5	L553 L561 K589 G593 T597	L553-F595 HydrophobicContact CB-CE1 3.74Å; L553-F595 HydrophobicContact CB-CZ 4.44Å; L553-F595 HydrophobicContact CD2-CE1 3.81Å; L553-F595 HydrophobicContact CD2-CZ 3.67Å; L553-F595 HydrophobicContact CG-CE1 4.41Å; L561-F595 HydrophobicContact CD1-CB 4.09Å; L561-F595 HydrophobicContact CD1-CD1 3.46Å; L561-F595 VanDerWaalsContact CD1-CD1 3.46Å; L561-F595 HydrophobicContact CD1-CE1 4.08Å; L561-F595 HydrophobicContact CD1-CG 3.78Å; L561-F595 HydrophobicContact CD2-CB 4.32Å; L561-F595 HydrophobicContact CD2-CD1 3.62Å; L561-F595 HydrophobicContact CD2-CD2 3.5Å; L561-F595 VanDerWaalsContact CD2-CD2 3.5Å; L561-F595 HydrophobicContact CD2-CE1 3.75Å; L561-F595 HydrophobicContact CD2-CE2 3.6Å; L561-F595 HydrophobicContact CD2-CG 3.5Å; L561-F595 VanDerWaalsContact CD2-CG 3.5Å; L561-F595 HydrophobicContact CD2-CZ 3.73Å; L561-F595 HydrophobicContact CG-CD1 4.14Å; L561-F595 HydrophobicContact CG-CE1 4.4Å; L561-F595 HydrophobicContact CG-CG 4.31Å; K589-F595 VanDerWaalsContact O-CZ 3.3Å; K589-F595 WeakPolarHBondContact O-CZ 3.5Å; G593-F595 WeakPolarHBondContact O-CD2 3.47Å; G593-F595 WeakPolarHBondContact O-CE2 3.4Å; G593-F595 PolarHBondContact O-N 3.02Å; G593-F595 VanDerWaalsContact O-N 3.14Å; F595-T597 PolarHBondContact O-N 2.97Å
596	S	56.4	Low	63.8	Low	99 Å²	99	122.1 Å²	122.1	69%	0.692	62%	0.619	S	S	*	*			trans	-60.2	107.1	177.1	49	0	0	0	0	108.8	S598	S596-S598 VanDerWaalsContact C-N 3.34Å; S596-S598 PolarHBondContact O-N 2.93Å
597	T	53.7	Low	62.8	Low	118 Å²	118	128.2 Å²	128.2	72%	0.724	65%	0.65	S	S	*	*			trans	-68.2	101.8	165	48	0	0	0	0	106.1	F595 Q599	F595-T597 PolarHBondContact O-N 2.97Å; T597-Q599 PolarHBondContact O-N 3.21Å; T597-Q599 VanDerWaalsContact O-N 3.1Å
598	S	51	Low	61.5	Low	103 Å²	103	128.8 Å²	128.8	72%	0.72	66%	0.662	S	S	*	*			trans	-39.6	120.7	172.9	175.8	0	0	0	0	109.2	S596 K600	S596-S598 VanDerWaalsContact C-N 3.34Å; S596-S598 PolarHBondContact O-N 2.93Å; S598-K600 PolarHBondContact O-N 3.1Å
599	Q	48.1	Very low	60.3	Low	178 Å²	178	131.3 Å²	131.3	83%	0.832	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-53.6	123.7	-177.8	-65.6	-164.6	-19.3	0	0	108.5	T597	T597-Q599 PolarHBondContact O-N 3.21Å; T597-Q599 VanDerWaalsContact O-N 3.1Å
600	K	47.1	Very low	59	Low	193 Å²	193	132.1 Å²	132.1	84%	0.839	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.9	163.8	-81.6	179	175.1	176.1	0	106.6	S598 A602	S598-K600 PolarHBondContact O-N 3.1Å; K600-A602 PolarHBondContact O-N 3.16Å; K600-A602 VanDerWaalsContact O-N 3.16Å
601	P	50.9	Low	57.4	Low	120 Å²	120	138.9 Å²	138.9	78%	0.779	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-55.7	127.1	176	24	-32.1	0	0	0	107.6	K603	P601-K603 PolarHBondContact O-N 3.12Å; P601-K603 VanDerWaalsContact O-N 3.12Å
602	A	46.6	Very low	55.7	Low	91 Å²	91	138 Å²	138	75%	0.752	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-54	121.2	173.4	0	0	0	0	0	107.6	K600 Q604	K600-A602 PolarHBondContact O-N 3.16Å; K600-A602 VanDerWaalsContact O-N 3.16Å; A602-Q604 VanDerWaalsContact C-N 3.26Å; A602-Q604 PolarHBondContact O-N 3Å
603	K	41.4	Very low	53.7	Low	212 Å²	212	136.3 Å²	136.3	92%	0.922	73%	0.733	S	S	*	*			trans	-67.7	92.3	162.5	-83.8	-178.3	170.3	-175	0	106.6	P601	P601-K603 PolarHBondContact O-N 3.12Å; P601-K603 VanDerWaalsContact O-N 3.12Å
604	Q	44	Very low	52	Low	257 Å²	257	146.6 Å²	146.6	100%	1.201	78%	0.779	S	S	*	*			trans	-141.1	0	155.7	-76.7	-166.7	-25.2	0	0	108.5	A602	A602-Q604 VanDerWaalsContact C-N 3.26Å; A602-Q604 PolarHBondContact O-N 3Å

Retrieved 604 of 604 residues in 898.6 ms (Link to these results)

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