A0A087Y6P2_POEFO Loading...

Non-muscle caldesmon-like

AlphaFold DB , UniProt , Accession A0A087Y6P2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 552 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.5	Low	56.5	Low	226 Å²	226	131.5 Å²	131.5	100%	1.113	68%	0.677	S	S	*	*				0	19.3	0	-61.6	-162	-169.7	0	0	113.7
2	S	53.9	Low	58.4	Low	83 Å²	83	131.9 Å²	131.9	58%	0.58	67%	0.67	S	S	*	*			trans	-93.8	-23.6	-165.2	-5.4	0	0	0	0	114.7	A4 L6	S2-A4 PolarHBondContact O-N 3.13Å; S2-L6 WeakPolarHBondContact O-CD1 3.33Å
3	H	51.3	Low	60.2	Low	168 Å²	168	130.9 Å²	130.9	78%	0.778	66%	0.661	S	S	*	*	H	α-helix	trans	-74	-25	-175.6	-76.9	-77.5	0	0	0	114.4	L5 R7	H3-L5 VanDerWaalsContact C-N 3.35Å; H3-L5 PolarHBondContact O-N 3.02Å; H3-R7 PolarHBondContact O-N 3.08Å
4	A	51.6	Low	62.2	Low	56 Å²	56	124.4 Å²	124.4	46%	0.463	64%	0.643	S	S	.	*	H	α-helix	trans	-73.3	-25.9	-178.2	0	0	0	0	0	113.4	S2	S2-A4 PolarHBondContact O-N 3.13Å
5	L	54.2	Low	64.1	Low	114 Å²	114	122.9 Å²	122.9	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-81.1	-37.8	179	-67.7	172.9	0	0	0	112	H3 R7 R8 N9	H3-L5 VanDerWaalsContact C-N 3.35Å; H3-L5 PolarHBondContact O-N 3.02Å; L5-R7 PolarHBondContact O-N 3.41Å; L5-R8 PolarHBondContact O-N 3.48Å; L5-N9 PolarHBondContact O-N 2.95Å; L5-N9 PolarHBondContact O-ND2 3.45Å; L5-N9 VanDerWaalsContact O-ND2 3.1Å
6	L	53.7	Low	65.6	Low	126 Å²	126	121.2 Å²	121.2	66%	0.66	62%	0.624	S	S	*	*	H	α-helix	trans	-64.5	-38.8	177	-89	76.9	0	0	0	112.2	S2 R8 N9 S10	S2-L6 WeakPolarHBondContact O-CD1 3.33Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.29Å; L6-N9 PolarHBondContact O-N 3.45Å; L6-S10 PolarHBondContact O-N 3.4Å
7	R	55.8	Low	67.1	Low	213 Å²	213	118.3 Å²	118.3	80%	0.804	61%	0.61	S	S	*	*	H	α-helix	trans	-65.8	-33.7	178.4	-168.9	173.2	177.7	-100.1	0.6	112.8	H3 L5 S11	H3-R7 PolarHBondContact O-N 3.08Å; L5-R7 PolarHBondContact O-N 3.41Å; R7-S11 PolarHBondContact O-N 2.94Å
8	R	59.3	Low	68.6	Low	186 Å²	186	117.5 Å²	117.5	70%	0.702	61%	0.606	S	S	*	*	H	α-helix	trans	-74.4	-37	178.2	-78.5	-178	156.9	99.9	-3.6	112.9	L5 L6 K12	L5-R8 PolarHBondContact O-N 3.48Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.29Å; R8-K12 PolarHBondContact O-N 3.32Å
9	N	58.8	Low	69.8	Low	102 Å²	102	117.7 Å²	117.7	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-71.7	-36.4	178.7	-72.8	-47.1	0	0	0	113	L5 L6 S11 K12 Q13	L5-N9 PolarHBondContact O-N 2.95Å; L5-N9 PolarHBondContact O-ND2 3.45Å; L5-N9 VanDerWaalsContact O-ND2 3.1Å; L6-N9 PolarHBondContact O-N 3.45Å; N9-S11 PolarHBondContact O-N 2.95Å; N9-K12 PolarHBondContact O-N 3.49Å; N9-Q13 PolarHBondContact O-N 3Å; N9-Q13 VanDerWaalsContact O-N 3.11Å
10	S	61.6	Low	71	Confident	86 Å²	86	119.2 Å²	119.2	60%	0.601	60%	0.603	S	S	*	*	H	α-helix	trans	-63.4	-39.4	174.7	173.8	0	0	0	0	112.6	L6 Q13 G14	L6-S10 PolarHBondContact O-N 3.4Å; S10-Q13 PolarHBondContact O-N 2.91Å; S10-G14 PolarHBondContact O-N 3.27Å
11	S	71.1	Confident	72	Confident	86 Å²	86	118 Å²	118	60%	0.601	60%	0.598	S	S	*	*	H	α-helix	trans	-66.1	-40.3	176.7	174.6	0	0	0	0	112.6	R7 N9 Q13 G14 L15	R7-S11 PolarHBondContact O-N 2.94Å; N9-S11 PolarHBondContact O-N 2.95Å; S11-Q13 PolarHBondContact O-N 3.18Å; S11-G14 PolarHBondContact O-N 3.04Å; S11-L15 PolarHBondContact O-N 3.46Å
12	K	79.8	Confident	73.9	Confident	137 Å²	137	111.2 Å²	111.2	60%	0.596	57%	0.57	S	S	*	*	H	α-helix	trans	-64.1	-40	175.9	-171	176.1	-179.8	-179.6	0	112	R8 N9 L15 Q16	R8-K12 PolarHBondContact O-N 3.32Å; N9-K12 PolarHBondContact O-N 3.49Å; K12-L15 PolarHBondContact O-N 3.44Å; K12-Q16 WeakPolarHBondContact O-CG 3.5Å; K12-Q16 PolarHBondContact O-N 3Å; K12-Q16 VanDerWaalsContact O-N 3.11Å
13	Q	81.6	Confident	75.7	Confident	119 Å²	119	110.3 Å²	110.3	56%	0.556	57%	0.567	S	S	*	*	H	α-helix	trans	-72.3	-34.1	177.1	-167.6	152.6	4.1	0	0	112.6	N9 S10 S11 Q16 N17	N9-Q13 PolarHBondContact O-N 3Å; N9-Q13 VanDerWaalsContact O-N 3.11Å; S10-Q13 PolarHBondContact O-N 2.91Å; S11-Q13 PolarHBondContact O-N 3.18Å; Q13-Q16 PolarHBondContact O-N 2.9Å; Q13-N17 WeakPolarHBondContact O-CB 3.22Å; Q13-N17 VanDerWaalsContact O-CG 3.3Å; Q13-N17 PolarHBondContact O-N 3.22Å
14	G	88.1	Confident	77.6	Confident	39 Å²	39	107.1 Å²	107.1	40%	0.402	55%	0.552	S	S	.	*	H	α-helix	trans	-61.6	-43.1	171.2	0	0	0	0	0	112.6	S10 S11 N17 L18	S10-G14 PolarHBondContact O-N 3.27Å; S11-G14 PolarHBondContact O-N 3.04Å; G14-N17 PolarHBondContact O-N 3.14Å; G14-L18 PolarHBondContact O-N 3.48Å
15	L	89.9	Confident	79.4	Confident	103 Å²	103	112.5 Å²	112.5	54%	0.539	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-43	176.6	-177	62.2	0	0	0	112.1	S11 K12 N17 L18 M19	S11-L15 PolarHBondContact O-N 3.46Å; K12-L15 PolarHBondContact O-N 3.44Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.06Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-M19 HydrophobicContact CG-SD 4.37Å; L15-M19 WeakPolarHBondContact O-CG 3.03Å; L15-M19 PolarHBondContact O-N 3.22Å
16	Q	88.8	Confident	81.2	Confident	95 Å²	95	110.8 Å²	110.8	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-37.4	175.4	-74.3	-179.9	-1.5	0	0	112.6	K12 Q13 M19 R20	K12-Q16 WeakPolarHBondContact O-CG 3.5Å; K12-Q16 PolarHBondContact O-N 3Å; K12-Q16 VanDerWaalsContact O-N 3.11Å; Q13-Q16 PolarHBondContact O-N 2.9Å; Q16-M19 PolarHBondContact O-N 2.84Å; Q16-R20 WeakPolarHBondContact O-CG 3.22Å; Q16-R20 PolarHBondContact O-N 3.43Å
17	N	90.9	Very high	82.9	Confident	72 Å²	72	110.5 Å²	110.5	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-63.8	-43.6	173.4	-76.6	-11.1	0	0	0	111.5	Q13 G14 L15 R20 L21	Q13-N17 WeakPolarHBondContact O-CB 3.22Å; Q13-N17 VanDerWaalsContact O-CG 3.3Å; Q13-N17 PolarHBondContact O-N 3.22Å; G14-N17 PolarHBondContact O-N 3.14Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.06Å; N17-R20 PolarHBondContact O-N 3.45Å; N17-R20 PolarHBondContact OD1-NH2 2.93Å; N17-L21 WeakPolarHBondContact O-CG 3.3Å; N17-L21 PolarHBondContact O-N 3.28Å
18	L	93.8	Very high	84.5	Confident	104 Å²	104	104.6 Å²	104.6	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-46.1	176.6	-175.4	62	0	0	0	111.3	G14 L15 R20 L21 T22	G14-L18 PolarHBondContact O-N 3.48Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.9Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-T22 PolarHBondContact O-N 3.28Å; L18-T22 PolarHBondContact O-OG1 3.04Å
19	M	91.9	Very high	86.1	Confident	121 Å²	121	100.3 Å²	100.3	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-59.4	-41.8	176.6	-72.1	176.5	68.8	0	0	112.3	L15 Q16 T22 A23	L15-M19 HydrophobicContact CG-SD 4.37Å; L15-M19 WeakPolarHBondContact O-CG 3.03Å; L15-M19 PolarHBondContact O-N 3.22Å; Q16-M19 PolarHBondContact O-N 2.84Å; M19-T22 PolarHBondContact O-N 3.36Å; M19-A23 WeakPolarHBondContact O-CB 3.4Å; M19-A23 PolarHBondContact O-N 2.68Å
20	R	93	Very high	87.6	Confident	147 Å²	147	98.4 Å²	98.4	56%	0.555	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-43.2	174.6	-79.5	-170.8	-71.3	-130.2	-0.4	112.3	Q16 N17 L18 T22 A23 Q24	Q16-R20 WeakPolarHBondContact O-CG 3.22Å; Q16-R20 PolarHBondContact O-N 3.43Å; N17-R20 PolarHBondContact O-N 3.45Å; N17-R20 PolarHBondContact OD1-NH2 2.93Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.9Å; R20-T22 VanDerWaalsContact C-N 3.35Å; R20-A23 PolarHBondContact O-N 3.48Å; R20-Q24 VanDerWaalsContact O-CB 3.31Å; R20-Q24 WeakPolarHBondContact O-CB 3.35Å; R20-Q24 PolarHBondContact O-N 3.02Å
21	L	92.6	Very high	89	Confident	94 Å²	94	98.7 Å²	98.7	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-65.8	-37.5	177.7	-73.6	169.8	0	0	0	112.1	N17 L18 Q24 R25	N17-L21 WeakPolarHBondContact O-CG 3.3Å; N17-L21 PolarHBondContact O-N 3.28Å; L18-L21 PolarHBondContact O-N 3.04Å; L21-Q24 PolarHBondContact O-N 3.4Å; L21-R25 WeakPolarHBondContact O-CG 3.43Å; L21-R25 PolarHBondContact O-N 2.92Å
22	T	90	Very high	89.9	Confident	85 Å²	85	100.7 Å²	100.7	52%	0.521	52%	0.519	S	S	.	.	H	α-helix	trans	-67.7	-43.2	175.2	-56.2	0	0	0	0	111.3	L18 M19 R20 Q24 R25 S26	L18-T22 PolarHBondContact O-N 3.28Å; L18-T22 PolarHBondContact O-OG1 3.04Å; M19-T22 PolarHBondContact O-N 3.36Å; R20-T22 VanDerWaalsContact C-N 3.35Å; T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 3.2Å; T22-R25 PolarHBondContact O-N 3.37Å; T22-S26 WeakPolarHBondContact O-CB 3.45Å; T22-S26 PolarHBondContact O-N 3.42Å
23	A	91.6	Very high	90.5	Very high	63 Å²	63	98.1 Å²	98.1	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-62.8	-39.8	174.5	0	0	0	0	0	111.8	M19 R20 S26 I27	M19-A23 WeakPolarHBondContact O-CB 3.4Å; M19-A23 PolarHBondContact O-N 2.68Å; R20-A23 PolarHBondContact O-N 3.48Å; A23-S26 PolarHBondContact O-N 3.4Å; A23-I27 PolarHBondContact O-N 3.37Å; A23-I27 VanDerWaalsContact O-N 3.14Å
24	Q	91.9	Very high	90.9	Very high	101 Å²	101	96.9 Å²	96.9	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-42.9	176.9	-171.9	-179.8	-15.6	0	0	112.2	R20 L21 T22 S26 I27 E28	R20-Q24 VanDerWaalsContact O-CB 3.31Å; R20-Q24 WeakPolarHBondContact O-CB 3.35Å; R20-Q24 PolarHBondContact O-N 3.02Å; L21-Q24 PolarHBondContact O-N 3.4Å; T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 3.2Å; Q24-S26 VanDerWaalsContact C-N 3.33Å; Q24-S26 PolarHBondContact O-N 2.86Å; Q24-I27 WeakPolarHBondContact O-CG2 3.25Å; Q24-I27 PolarHBondContact O-N 3.25Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.35Å; Q24-E28 PolarHBondContact NE2-OE1 2.98Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.4Å; Q24-E28 VanDerWaalsContact O-N 3.07Å
25	R	90.2	Very high	90.9	Very high	170 Å²	170	101 Å²	101	64%	0.642	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-39.9	174.8	-75.9	175.3	176	-100.7	-0.6	112.1	L21 T22 I27 E28 D29	L21-R25 WeakPolarHBondContact O-CG 3.43Å; L21-R25 PolarHBondContact O-N 2.92Å; T22-R25 PolarHBondContact O-N 3.37Å; R25-I27 VanDerWaalsContact C-N 3.29Å; R25-I27 PolarHBondContact O-N 2.88Å; R25-E28 PolarHBondContact O-N 3.43Å; R25-D29 WeakPolarHBondContact O-CB 3.29Å; R25-D29 PolarHBondContact O-N 3.21Å
26	S	90.7	Very high	90.9	Very high	77 Å²	77	102 Å²	102	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-35	177.9	-175.1	0	0	0	0	113	T22 A23 Q24 A30	T22-S26 WeakPolarHBondContact O-CB 3.45Å; T22-S26 PolarHBondContact O-N 3.42Å; A23-S26 PolarHBondContact O-N 3.4Å; Q24-S26 VanDerWaalsContact C-N 3.33Å; Q24-S26 PolarHBondContact O-N 2.86Å; S26-A30 PolarHBondContact O-N 2.96Å
27	I	89.9	Confident	91	Very high	120 Å²	120	106.6 Å²	106.6	62%	0.615	53%	0.527	S	S	*	.	H	α-helix	trans	-76.6	-35.6	177	-162.4	161.4	0	0	0	111.7	A23 Q24 R25 A30 E31	A23-I27 PolarHBondContact O-N 3.37Å; A23-I27 VanDerWaalsContact O-N 3.14Å; Q24-I27 WeakPolarHBondContact O-CG2 3.25Å; Q24-I27 PolarHBondContact O-N 3.25Å; R25-I27 VanDerWaalsContact C-N 3.29Å; R25-I27 PolarHBondContact O-N 2.88Å; I27-A30 PolarHBondContact O-N 3.32Å; I27-E31 WeakPolarHBondContact O-CB 3.37Å; I27-E31 PolarHBondContact O-N 3.46Å
28	E	88.5	Confident	90.9	Very high	90 Å²	90	108.6 Å²	108.6	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-43.8	173.7	-72.7	169.7	-171.8	0	0	111.2	Q24 R25 A30 E31 E32	Q24-E28 WeakPolarHBondContact CG-OE1 3.35Å; Q24-E28 PolarHBondContact NE2-OE1 2.98Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.4Å; Q24-E28 VanDerWaalsContact O-N 3.07Å; R25-E28 PolarHBondContact O-N 3.43Å; E28-A30 PolarHBondContact O-N 2.97Å; E28-E31 PolarHBondContact O-N 3.25Å; E28-E32 WeakPolarHBondContact O-CB 3.49Å; E28-E32 PolarHBondContact O-N 2.84Å
29	D	93.7	Very high	90.7	Very high	96 Å²	96	112.6 Å²	112.6	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.7	-69.1	-9.5	0	0	0	111.4	R25 E31 E32 V33	R25-D29 WeakPolarHBondContact O-CB 3.29Å; R25-D29 PolarHBondContact O-N 3.21Å; D29-E31 PolarHBondContact O-N 3.42Å; D29-E32 PolarHBondContact O-N 2.87Å; D29-V33 WeakPolarHBondContact O-CG2 3.45Å; D29-V33 PolarHBondContact O-N 3.02Å
30	A	89.8	Confident	90.6	Very high	62 Å²	62	114 Å²	114	51%	0.512	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-40	177.4	0	0	0	0	0	112.4	S26 I27 E28 E34	S26-A30 PolarHBondContact O-N 2.96Å; I27-A30 PolarHBondContact O-N 3.32Å; E28-A30 PolarHBondContact O-N 2.97Å; A30-E34 PolarHBondContact O-N 2.87Å; A30-E34 VanDerWaalsContact O-N 3.12Å
31	E	91.6	Very high	90.2	Very high	91 Å²	91	110 Å²	110	43%	0.425	54%	0.538	S	S	.	.	H	α-helix	trans	-68.3	-37.6	175.9	-167	-154.1	-178.2	0	0	111.8	I27 E28 D29 E34 R35	I27-E31 WeakPolarHBondContact O-CB 3.37Å; I27-E31 PolarHBondContact O-N 3.46Å; E28-E31 PolarHBondContact O-N 3.25Å; D29-E31 PolarHBondContact O-N 3.42Å; E31-E34 PolarHBondContact O-N 3.39Å; E31-R35 WeakPolarHBondContact O-CG 3.35Å; E31-R35 PolarHBondContact O-N 2.98Å; E31-R35 IonicContact OE1-CZ 3.24Å; E31-R35 IonicContact OE1-NE 3.55Å; E31-R35 IonicContact OE1-NH1 3.41Å; E31-R35 IonicContact OE1-NH2 2.76Å; E31-R35 PolarHBondContact OE1-NH2 2.92Å; E31-R35 IonicContact OE2-CZ 2.74Å; E31-R35 IonicContact OE2-NH1 2.7Å; E31-R35 PolarHBondContact OE2-NH1 3.39Å; E31-R35 IonicContact OE2-NH2 3.43Å; E31-R35 PolarHBondContact OE2-NH2 3.31Å
32	E	90.3	Very high	89.9	Confident	128 Å²	128	113.9 Å²	113.9	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-61.7	-46.4	175.1	-174.5	170.3	-145.5	0	0	111.6	E28 D29 E34 R35 E36	E28-E32 WeakPolarHBondContact O-CB 3.49Å; E28-E32 PolarHBondContact O-N 2.84Å; D29-E32 PolarHBondContact O-N 2.87Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.27Å; E32-R35 PolarHBondContact O-N 3.45Å; E32-E36 PolarHBondContact O-N 2.92Å
33	V	91.2	Very high	89.5	Confident	83 Å²	83	114.3 Å²	114.3	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-58.6	-42.3	174.4	171.8	0	0	0	0	110.9	D29 E36 R37	D29-V33 WeakPolarHBondContact O-CG2 3.45Å; D29-V33 PolarHBondContact O-N 3.02Å; V33-E36 PolarHBondContact O-N 3.26Å; V33-R37 WeakPolarHBondContact O-CG 3.33Å; V33-R37 PolarHBondContact O-N 3.31Å
34	E	89.8	Confident	88.6	Confident	94 Å²	94	114.5 Å²	114.5	44%	0.439	54%	0.54	S	S	.	.	H	α-helix	trans	-67.9	-37.4	178.7	-154.6	-165.2	-169.5	0	0	112.5	A30 E31 E32 E36 R37 R38	A30-E34 PolarHBondContact O-N 2.87Å; A30-E34 VanDerWaalsContact O-N 3.12Å; E31-E34 PolarHBondContact O-N 3.39Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.27Å; E34-E36 VanDerWaalsContact C-N 3.34Å; E34-R37 PolarHBondContact O-N 3.05Å; E34-R38 VanDerWaalsContact CG-NH1 3.31Å; E34-R38 WeakPolarHBondContact O-CG 3.23Å; E34-R38 PolarHBondContact O-N 3.39Å; E34-R38 IonicContact OE1-CZ 3.66Å; E34-R38 IonicContact OE1-NH1 3.22Å; E34-R38 IonicContact OE1-NH2 3.52Å; E34-R38 PolarHBondContact OE1-NH2 2.89Å; E34-R38 IonicContact OE2-CZ 3.63Å; E34-R38 VanDerWaalsContact OE2-CZ 3.25Å; E34-R38 IonicContact OE2-NH1 2.84Å; E34-R38 PolarHBondContact OE2-NH1 2.89Å; E34-R38 IonicContact OE2-NH2 3.25Å; E34-R38 PolarHBondContact OE2-NH2 3.17Å
35	R	88	Confident	87.4	Confident	125 Å²	125	114.8 Å²	114.8	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-63.8	-40.3	171.9	-73.8	-166.9	-155	92	-14.8	111.8	E31 E32 R38 R39	E31-R35 WeakPolarHBondContact O-CG 3.35Å; E31-R35 PolarHBondContact O-N 2.98Å; E31-R35 IonicContact OE1-CZ 3.24Å; E31-R35 IonicContact OE1-NE 3.55Å; E31-R35 IonicContact OE1-NH1 3.41Å; E31-R35 IonicContact OE1-NH2 2.76Å; E31-R35 PolarHBondContact OE1-NH2 2.92Å; E31-R35 IonicContact OE2-CZ 2.74Å; E31-R35 IonicContact OE2-NH1 2.7Å; E31-R35 PolarHBondContact OE2-NH1 3.39Å; E31-R35 IonicContact OE2-NH2 3.43Å; E31-R35 PolarHBondContact OE2-NH2 3.31Å; E32-R35 PolarHBondContact O-N 3.45Å; R35-R38 PolarHBondContact O-N 3.28Å; R35-R39 PolarHBondContact O-N 3.49Å
36	E	90.8	Very high	86.5	Confident	125 Å²	125	115.9 Å²	115.9	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-62.5	-45.6	175.7	-168.7	-161	-153.2	0	0	110.8	E32 V33 E34 R38 R39 K40	E32-E36 PolarHBondContact O-N 2.92Å; V33-E36 PolarHBondContact O-N 3.26Å; E34-E36 VanDerWaalsContact C-N 3.34Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 3Å; E36-R39 CarbonylContact O-C 3.57Å; E36-R39 WeakPolarHBondContact O-CB 3.45Å; E36-R39 PolarHBondContact O-N 3.47Å; E36-K40 WeakPolarHBondContact O-CB 3.38Å; E36-K40 PolarHBondContact O-N 3.49Å
37	R	90.1	Very high	85.4	Confident	191 Å²	191	121 Å²	121	72%	0.721	56%	0.556	S	S	*	*	H	α-helix	trans	-56.7	-42.4	174.6	-70.2	-172.3	89.1	-160.5	6.8	111.8	V33 E34 K40 A41	V33-R37 WeakPolarHBondContact O-CG 3.33Å; V33-R37 PolarHBondContact O-N 3.31Å; E34-R37 PolarHBondContact O-N 3.05Å; R37-K40 PolarHBondContact O-N 2.83Å; R37-A41 WeakPolarHBondContact O-CB 3.39Å; R37-A41 PolarHBondContact O-N 3.49Å
38	R	89.9	Confident	84.1	Confident	113 Å²	113	125 Å²	125	43%	0.426	56%	0.563	S	S	.	*	H	α-helix	trans	-65	-39	175	-69.7	-179.9	-174.9	103.2	-2.6	112.4	E34 R35 E36 R42	E34-R38 VanDerWaalsContact CG-NH1 3.31Å; E34-R38 WeakPolarHBondContact O-CG 3.23Å; E34-R38 PolarHBondContact O-N 3.39Å; E34-R38 IonicContact OE1-CZ 3.66Å; E34-R38 IonicContact OE1-NH1 3.22Å; E34-R38 IonicContact OE1-NH2 3.52Å; E34-R38 PolarHBondContact OE1-NH2 2.89Å; E34-R38 IonicContact OE2-CZ 3.63Å; E34-R38 VanDerWaalsContact OE2-CZ 3.25Å; E34-R38 IonicContact OE2-NH1 2.84Å; E34-R38 PolarHBondContact OE2-NH1 2.89Å; E34-R38 IonicContact OE2-NH2 3.25Å; E34-R38 PolarHBondContact OE2-NH2 3.17Å; R35-R38 PolarHBondContact O-N 3.28Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 3Å; R38-R42 VanDerWaalsContact O-CG 3.3Å; R38-R42 WeakPolarHBondContact O-CG 3.38Å; R38-R42 PolarHBondContact O-N 2.88Å; R38-R42 VanDerWaalsContact O-N 3.17Å
39	R	89.3	Confident	82.4	Confident	188 Å²	188	126.6 Å²	126.6	71%	0.709	57%	0.574	S	S	*	*	H	α-helix	trans	-65.5	-46.4	176.2	-172.2	-179.8	-179.1	172.8	0.7	110.9	R35 E36 A41 R42 E43	R35-R39 PolarHBondContact O-N 3.49Å; E36-R39 CarbonylContact O-C 3.57Å; E36-R39 WeakPolarHBondContact O-CB 3.45Å; E36-R39 PolarHBondContact O-N 3.47Å; R39-A41 VanDerWaalsContact C-N 3.34Å; R39-A41 PolarHBondContact O-N 3.31Å; R39-R42 PolarHBondContact O-N 2.93Å; R39-R42 VanDerWaalsContact O-N 3.16Å; R39-E43 WeakPolarHBondContact O-CB 3.48Å; R39-E43 PolarHBondContact O-N 3.17Å
40	K	90.1	Very high	80.2	Confident	151 Å²	151	126.7 Å²	126.7	66%	0.657	58%	0.583	S	S	*	*	H	α-helix	trans	-63.3	-38	178	-166	173.3	-177.5	177.1	0	111.9	E36 R37 R42 E43 S44	E36-K40 WeakPolarHBondContact O-CB 3.38Å; E36-K40 PolarHBondContact O-N 3.49Å; R37-K40 PolarHBondContact O-N 2.83Å; K40-R42 PolarHBondContact O-N 3.26Å; K40-E43 PolarHBondContact O-N 3.4Å; K40-S44 WeakPolarHBondContact O-CB 3.44Å; K40-S44 PolarHBondContact O-N 2.93Å
41	A	84.4	Confident	77.9	Confident	62 Å²	62	127.4 Å²	127.4	51%	0.512	60%	0.596	S	S	.	*	H	α-helix	trans	-62.5	-42.1	173	0	0	0	0	0	112.3	R37 R39 L45	R37-A41 WeakPolarHBondContact O-CB 3.39Å; R37-A41 PolarHBondContact O-N 3.49Å; R39-A41 VanDerWaalsContact C-N 3.34Å; R39-A41 PolarHBondContact O-N 3.31Å; A41-L45 PolarHBondContact O-N 3.33Å; A41-L45 VanDerWaalsContact O-N 3.09Å
42	R	86.4	Confident	75.3	Confident	177 Å²	177	128.6 Å²	128.6	67%	0.668	61%	0.614	S	S	*	*	H	α-helix	trans	-68.5	-37.7	175.9	-67.5	169.4	-173.2	175.9	2.1	112.3	R38 R39 K40 L45 R46	R38-R42 VanDerWaalsContact O-CG 3.3Å; R38-R42 WeakPolarHBondContact O-CG 3.38Å; R38-R42 PolarHBondContact O-N 2.88Å; R38-R42 VanDerWaalsContact O-N 3.17Å; R39-R42 PolarHBondContact O-N 2.93Å; R39-R42 VanDerWaalsContact O-N 3.16Å; K40-R42 PolarHBondContact O-N 3.26Å; R42-L45 PolarHBondContact O-N 3.44Å; R42-R46 WeakPolarHBondContact O-CG 3.31Å; R42-R46 PolarHBondContact O-N 3.04Å
43	E	80.5	Confident	72.7	Confident	94 Å²	94	128.8 Å²	128.8	44%	0.439	62%	0.624	S	S	.	*	H	α-helix	trans	-71.8	-38.9	177.6	-170.2	179.4	170.3	0	0	111.9	R39 K40 L45 R46 R47	R39-E43 WeakPolarHBondContact O-CB 3.48Å; R39-E43 PolarHBondContact O-N 3.17Å; K40-E43 PolarHBondContact O-N 3.4Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.3Å; E43-R46 CarbonylContact O-C 3.6Å; E43-R46 WeakPolarHBondContact O-CA 3.5Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 3.25Å; E43-R47 PolarHBondContact O-N 3.02Å
44	S	72.6	Confident	70.7	Confident	67 Å²	67	130.6 Å²	130.6	47%	0.469	64%	0.638	S	S	.	*	H	α-helix	trans	-58.5	-42.8	171.7	173	0	0	0	0	111.1	K40 R46 R47 R48	K40-S44 WeakPolarHBondContact O-CB 3.44Å; K40-S44 PolarHBondContact O-N 2.93Å; S44-R46 VanDerWaalsContact C-N 3.33Å; S44-R46 PolarHBondContact O-N 3Å; S44-R47 PolarHBondContact O-N 3.49Å; S44-R48 WeakPolarHBondContact O-CB 3.29Å; S44-R48 PolarHBondContact O-N 3.23Å
45	L	67.8	Low	68	Low	107 Å²	107	135.4 Å²	135.4	56%	0.56	66%	0.66	S	S	*	*	H	α-helix	trans	-64.5	-36.3	173.5	-169.4	65.6	0	0	0	112.4	A41 R42 E43 N49	A41-L45 PolarHBondContact O-N 3.33Å; A41-L45 VanDerWaalsContact O-N 3.09Å; R42-L45 PolarHBondContact O-N 3.44Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.3Å; L45-N49 VanDerWaalsContact O-CG 3.23Å; L45-N49 PolarHBondContact O-N 2.97Å; L45-N49 PolarHBondContact O-OD1 2.96Å; L45-N49 VanDerWaalsContact O-OD1 3.14Å
46	R	71.4	Confident	65.6	Low	192 Å²	192	136.8 Å²	136.8	73%	0.725	68%	0.677	S	S	*	*	H	α-helix	trans	-69.1	-40.8	174.7	-76.8	-178.6	179.7	-95.6	0.6	112.7	R42 E43 S44 N49 S50	R42-R46 WeakPolarHBondContact O-CG 3.31Å; R42-R46 PolarHBondContact O-N 3.04Å; E43-R46 CarbonylContact O-C 3.6Å; E43-R46 WeakPolarHBondContact O-CA 3.5Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 3.25Å; S44-R46 VanDerWaalsContact C-N 3.33Å; S44-R46 PolarHBondContact O-N 3Å; R46-N49 PolarHBondContact O-N 3.05Å; R46-N49 VanDerWaalsContact O-N 3.16Å; R46-S50 PolarHBondContact O-N 3.49Å; R46-S50 PolarHBondContact O-OG 3.3Å
47	R	67.5	Low	63	Low	186 Å²	186	135.5 Å²	135.5	70%	0.702	68%	0.682	S	S	*	*	H	α-helix	trans	-66.3	-39.2	176.8	-78.5	-147.5	-173.2	-104	3.6	112.3	E43 S44 N49 S50	E43-R47 PolarHBondContact O-N 3.02Å; S44-R47 PolarHBondContact O-N 3.49Å; R47-N49 PolarHBondContact O-N 3.15Å; R47-S50 PolarHBondContact O-N 3.12Å; R47-S50 VanDerWaalsContact O-N 3.14Å
48	R	63.3	Low	60.2	Low	203 Å²	203	131.8 Å²	131.8	77%	0.766	69%	0.685	S	S	*	*	H	α-helix	trans	-58.9	-28.3	173.4	-171.7	177.1	-68.1	-161.1	-2	112.2	S44	S44-R48 WeakPolarHBondContact O-CB 3.29Å; S44-R48 PolarHBondContact O-N 3.23Å
49	N	52.1	Low	57.9	Low	124 Å²	124	132.3 Å²	132.3	66%	0.663	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	6.6	-178.2	-65.9	15	0	0	0	113.5	L45 R46 R47	L45-N49 VanDerWaalsContact O-CG 3.23Å; L45-N49 PolarHBondContact O-N 2.97Å; L45-N49 PolarHBondContact O-OD1 2.96Å; L45-N49 VanDerWaalsContact O-OD1 3.14Å; R46-N49 PolarHBondContact O-N 3.05Å; R46-N49 VanDerWaalsContact O-N 3.16Å; R47-N49 PolarHBondContact O-N 3.15Å
50	S	47.2	Very low	55.1	Low	98 Å²	98	131.9 Å²	131.9	69%	0.685	71%	0.709	S	S	*	*			trans	-144.7	95.5	-177	-59.2	0	0	0	0	111.3	R46 R47	R46-S50 PolarHBondContact O-N 3.49Å; R46-S50 PolarHBondContact O-OG 3.3Å; R47-S50 PolarHBondContact O-N 3.12Å; R47-S50 VanDerWaalsContact O-N 3.14Å
51	G	42.2	Very low	52.1	Low	77 Å²	77	129.9 Å²	129.9	79%	0.794	71%	0.714	S	S	*	*			trans	-155.7	111.6	172.5	0	0	0	0	0	113.8
52	S	37	Very low	49.5	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	73%	0.734	S	S	*	*			trans	169.7	126.2	149.7	60.5	0	0	0	0	106.3
53	T	36.1	Very low	46.8	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	74%	0.738	S	S	*	*			cis	-160.2	162.6	36.2	44.2	0	0	0	0	111.3
54	P	47.6	Very low	45.1	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	75%	0.752	S	S	*	*			trans	-111.3	148.2	171.3	36.8	-24.8	0	0	0	113.3
55	E	34.6	Very low	43	Very low	195 Å²	195	138.7 Å²	138.7	91%	0.911	77%	0.77	S	S	*	*			trans	-157.3	136.6	151.6	-107.9	-153	155.7	0	0	110.5
56	D	36.9	Very low	41.3	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	78%	0.782	S	S	*	*			trans	-149.9	124	144.4	-144.3	-12.9	0	0	0	111.2
57	S	35.4	Very low	39.4	Very low	98 Å²	98	143.9 Å²	143.9	69%	0.685	79%	0.79	S	S	*	*			trans	75.2	104.7	148.3	-62.9	0	0	0	0	124.5
58	S	32.8	Very low	37.6	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	79%	0.786	S	S	*	*				32.6	136.6	121	-144.2	0	0	0	0	121.5
59	P	39.8	Very low	36.2	Very low	124 Å²	124	137 Å²	137	81%	0.805	79%	0.787	S	S	*	*				-143.5	135.8	75.2	34.5	-14.7	0	0	0	117.9
60	E	30.5	Very low	35.1	Very low	179 Å²	179	140.2 Å²	140.2	84%	0.836	79%	0.792	S	S	*	*			trans	24.4	112.1	137.9	-153.6	167.3	-167	0	0	121.1
61	S	28.7	Very low	34.3	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	79%	0.791	S	S	*	*				172.2	129.2	112	40	0	0	0	0	113.6
62	E	30	Very low	33.9	Very low	197 Å²	197	143.9 Å²	143.9	92%	0.921	78%	0.776	S	S	*	*			trans	59.7	113.9	150.1	-60.2	-173.7	161.5	0	0	121.5
63	A	28.9	Very low	34	Very low	93 Å²	93	141 Å²	141	77%	0.769	75%	0.75	S	S	*	*			trans	-84	-179.9	157.9	0	0	0	0	0	110.2
64	P	44.8	Very low	34.2	Very low	111 Å²	111	140.8 Å²	140.8	72%	0.721	74%	0.743	S	S	*	*			cis	-134.9	172.4	0.4	34	-12.6	0	0	0	114.4
65	E	29	Very low	33.8	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	75%	0.746	S	S	*	*				168.5	153	123	-90.5	-178.6	-169.8	0	0	114.5
66	E	31.5	Very low	34	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	74%	0.743	S	S	*	*			trans	-48.5	145.1	-172.7	-57.1	173.9	133.1	0	0	116.9
67	R	31.8	Very low	34.1	Very low	235 Å²	235	139.3 Å²	139.3	89%	0.887	74%	0.741	S	S	*	*				-170.3	126.3	109.2	-143	160.6	176.3	-97.8	2.9	113.5
68	N	30.5	Very low	33.7	Very low	115 Å²	115	139.9 Å²	139.9	62%	0.615	75%	0.745	S	S	*	*			trans	-54	148.4	170.2	-57.3	-79.7	0	0	0	114.5
69	T	31.9	Very low	33.8	Very low	130 Å²	130	139.1 Å²	139.1	80%	0.798	74%	0.74	S	S	*	*				-172.4	134.4	123	41	0	0	0	0	114.4
70	Y	30.6	Very low	33.8	Very low	192 Å²	192	138.9 Å²	138.9	75%	0.753	74%	0.738	S	S	*	*			trans	-57.3	171.6	-169	-67.4	-94.4	0	0	0	123.4
71	D	30.7	Very low	34.1	Very low	125 Å²	125	135.2 Å²	135.2	67%	0.668	73%	0.732	S	S	*	*			trans	89.4	105.7	143.1	-106.6	6.9	0	0	0	118.7
72	R	32.9	Very low	34.8	Very low	127 Å²	127	137.3 Å²	137.3	48%	0.479	73%	0.734	S	S	.	*				76.8	115.6	56.6	-164.7	174	-168.5	-177.7	8.6	116.3	L136	R72-L136 PolarHBondContact N-O 2.92Å
73	E	40.1	Very low	35.3	Very low	55 Å²	55	136.2 Å²	136.2	26%	0.257	73%	0.729	S	S	.	*			trans	43.1	135.6	146.7	-64.9	179.2	160.9	0	0	120.8	L134 L136	E73-L134 WeakPolarHBondContact OE1-CA 3.48Å; E73-L134 PolarHBondContact OE1-N 3.37Å; E73-L136 HydrophobicContact CB-CB 4.22Å; E73-L136 HydrophobicContact CB-CD1 4.05Å; E73-L136 HydrophobicContact CG-CB 3.76Å; E73-L136 HydrophobicContact CG-CD1 3.58Å; E73-L136 HydrophobicContact CG-CG 4.23Å
74	L	38.5	Very low	36.1	Very low	128 Å²	128	140 Å²	140	67%	0.67	73%	0.731	S	S	*	*			cis	-173.9	168.4	17.4	-99.3	158.7	0	0	0	108.1	L136	L74-L136 HydrophobicContact CB-CD1 4.5Å; L74-L136 HydrophobicContact CD2-CD1 3.71Å; L74-L136 HydrophobicContact CG-CD1 3.86Å
75	K	40.5	Very low	36.1	Very low	196 Å²	196	141 Å²	141	85%	0.852	73%	0.73	S	S	*	*			trans	-51.4	165.5	164.7	-65.9	178	174	176.7	0	112.9
76	P	39.2	Very low	37.5	Very low	129 Å²	129	140 Å²	140	84%	0.838	73%	0.725	S	S	*	*				-146.7	164.4	98.7	35	-16.4	0	0	0	117.3
77	S	37.4	Very low	38.5	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	71%	0.707	S	S	*	*			trans	-62.4	151	178.3	160.8	0	0	0	0	116.7
78	S	26.9	Very low	39.1	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	70%	0.699	S	S	*	*				-167.5	126.5	121.6	-168.3	0	0	0	0	112.7
79	S	35.3	Very low	40	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	70%	0.697	S	S	*	*			trans	-62.9	163	162.1	46.3	0	0	0	0	113
80	P	40.1	Very low	41.2	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	69%	0.686	S	S	*	*				-143	139.9	106.4	36.1	-20.7	0	0	0	115.9
81	S	37.7	Very low	42.1	Very low	102 Å²	102	128 Å²	128	71%	0.713	69%	0.686	S	S	*	*			trans	73.8	137.1	130.1	-164.7	0	0	0	0	122.4
82	L	42.9	Very low	43.8	Very low	151 Å²	151	126.4 Å²	126.4	79%	0.791	68%	0.681	S	S	*	*			trans	72.5	127.1	167.6	-105.2	105.1	0	0	0	115.3
83	E	40	Very low	45	Very low	175 Å²	175	126.8 Å²	126.8	82%	0.818	69%	0.688	S	S	*	*			cis	-157.2	161	23.8	-170.2	168.8	-168.6	0	0	108.6
84	E	46.7	Very low	46.3	Very low	173 Å²	173	133.5 Å²	133.5	81%	0.808	71%	0.711	S	S	*	*			trans	-84.6	137.6	-150.7	-61.6	170.6	138.1	0	0	114.4	E86	E84-E86 PolarHBondContact O-N 3.16Å
85	D	44	Very low	47.5	Very low	131 Å²	131	136 Å²	136	70%	0.701	71%	0.712	S	S	*	*			trans	-75.7	95.3	165.3	174.1	24.3	0	0	0	109.2	G87	D85-G87 PolarHBondContact O-N 3.07Å; D85-G87 VanDerWaalsContact O-N 3.17Å; D85-G87 PolarHBondContact OD1-N 2.83Å; D85-G87 VanDerWaalsContact OD1-N 3.08Å
86	E	59.1	Low	48.9	Very low	163 Å²	163	130.2 Å²	130.2	76%	0.762	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	14.5	173.4	-67.2	-169.7	153	0	0	113.6	E84	E84-E86 PolarHBondContact O-N 3.16Å
87	G	52	Low	50.4	Low	41 Å²	41	131.8 Å²	131.8	42%	0.423	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	-26	-173	0	0	0	0	0	116.3	D85	D85-G87 PolarHBondContact O-N 3.07Å; D85-G87 VanDerWaalsContact O-N 3.17Å; D85-G87 PolarHBondContact OD1-N 2.83Å; D85-G87 VanDerWaalsContact OD1-N 3.08Å
88	F	43.1	Very low	51.8	Low	163 Å²	163	131.9 Å²	131.9	72%	0.715	67%	0.67	S	S	*	*	S	Bend	trans	-99	-18.5	-169.2	-105.3	-90.4	0	0	0	115.4	D90 T92	F88-D90 VanDerWaalsContact C-N 3.33Å; F88-T92 PolarHBondContact O-OG1 3.34Å
89	S	49.9	Very low	53.9	Low	82 Å²	82	133.3 Å²	133.3	57%	0.573	66%	0.658	S	S	*	*	H	α-helix	trans	-68.4	-34.3	177.4	-62.6	0	0	0	0	111.8	W91 T92 Q93	S89-W91 PolarHBondContact O-N 3.39Å; S89-T92 PolarHBondContact O-N 3.49Å; S89-Q93 WeakPolarHBondContact O-CB 3.45Å; S89-Q93 PolarHBondContact O-N 3.45Å
90	D	57.8	Low	55.6	Low	105 Å²	105	137.2 Å²	137.2	56%	0.561	66%	0.658	S	S	*	*	H	α-helix	trans	-68.2	-35.6	-173	-120.9	28.3	0	0	0	113.5	F88 R94	F88-D90 VanDerWaalsContact C-N 3.33Å; D90-R94 VanDerWaalsContact O-CB 3.31Å; D90-R94 WeakPolarHBondContact O-CB 3.48Å; D90-R94 PolarHBondContact O-N 2.83Å
91	W	48.6	Very low	57	Low	201 Å²	201	137.3 Å²	137.3	76%	0.761	65%	0.648	S	S	*	*	H	α-helix	trans	-75.5	-39.9	178.6	-84.2	60.9	0	0	0	112.5	S89 Q93 R95	S89-W91 PolarHBondContact O-N 3.39Å; W91-Q93 VanDerWaalsContact C-N 3.34Å; W91-R95 WeakPolarHBondContact O-CB 3.43Å; W91-R95 PolarHBondContact O-N 3.38Å; W91-R95 VanDerWaalsContact O-N 3.1Å
92	T	66.1	Low	58.4	Low	93 Å²	93	140.3 Å²	140.3	57%	0.571	64%	0.644	S	S	*	*	H	α-helix	trans	-68.4	-39.1	176.9	-47.2	0	0	0	0	110.1	F88 S89 R95 E96	F88-T92 PolarHBondContact O-OG1 3.34Å; S89-T92 PolarHBondContact O-N 3.49Å; T92-R95 PolarHBondContact O-N 3.22Å; T92-E96 VanDerWaalsContact O-CB 3.23Å; T92-E96 WeakPolarHBondContact O-CB 3.45Å; T92-E96 PolarHBondContact O-N 3.45Å
93	Q	59.8	Low	59.4	Low	134 Å²	134	137.1 Å²	137.1	63%	0.626	63%	0.627	S	S	*	*	H	α-helix	trans	-71.4	-37.4	179.3	-157.9	177.3	74.1	0	0	112.6	S89 W91 E96 K97	S89-Q93 WeakPolarHBondContact O-CB 3.45Å; S89-Q93 PolarHBondContact O-N 3.45Å; W91-Q93 VanDerWaalsContact C-N 3.34Å; Q93-E96 PolarHBondContact O-N 3.43Å; Q93-K97 VanDerWaalsContact O-CB 3.31Å; Q93-K97 WeakPolarHBondContact O-CB 3.48Å; Q93-K97 PolarHBondContact O-N 3.1Å
94	R	66.8	Low	60.6	Low	196 Å²	196	136 Å²	136	74%	0.74	62%	0.622	S	S	*	*	H	α-helix	trans	-67.2	-40.2	173.7	-171.3	178.2	-79.7	-126.6	2.5	112.2	D90 K97 Q98	D90-R94 VanDerWaalsContact O-CB 3.31Å; D90-R94 WeakPolarHBondContact O-CB 3.48Å; D90-R94 PolarHBondContact O-N 2.83Å; R94-K97 PolarHBondContact O-N 3.46Å; R94-Q98 PolarHBondContact O-N 3.23Å; R94-Q98 VanDerWaalsContact O-N 3.08Å
95	R	62.9	Low	61.2	Low	180 Å²	180	134 Å²	134	68%	0.679	61%	0.613	S	S	*	*	H	α-helix	trans	-68.4	-39.6	175.1	-167	-175.7	-67.6	177.6	0	111.7	W91 T92 Q98 R99	W91-R95 WeakPolarHBondContact O-CB 3.43Å; W91-R95 PolarHBondContact O-N 3.38Å; W91-R95 VanDerWaalsContact O-N 3.1Å; T92-R95 PolarHBondContact O-N 3.22Å; R95-Q98 PolarHBondContact O-N 2.93Å; R95-R99 WeakPolarHBondContact O-CB 2.85Å; R95-R99 PolarHBondContact O-N 3.49Å
96	E	70.6	Confident	61.4	Low	76 Å²	76	133.4 Å²	133.4	36%	0.355	61%	0.609	S	S	.	*	H	α-helix	trans	-68	-35.8	176.5	-169	63.6	-162.5	0	0	111.7	T92 Q93 R99 R100	T92-E96 VanDerWaalsContact O-CB 3.23Å; T92-E96 WeakPolarHBondContact O-CB 3.45Å; T92-E96 PolarHBondContact O-N 3.45Å; Q93-E96 PolarHBondContact O-N 3.43Å; E96-R99 PolarHBondContact O-N 3.11Å; E96-R99 IonicContact OE1-CZ 3.55Å; E96-R99 IonicContact OE1-NE 3.77Å; E96-R99 PolarHBondContact OE1-NE 2.94Å; E96-R99 IonicContact OE1-NH2 3.65Å; E96-R99 PolarHBondContact OE1-NH2 3.04Å; E96-R99 IonicContact OE2-CZ 3.46Å; E96-R99 IonicContact OE2-NE 2.78Å; E96-R99 PolarHBondContact OE2-NE 2.86Å; E96-R99 IonicContact OE2-NH2 2.95Å; E96-R99 PolarHBondContact OE2-NH2 3.47Å; E96-R100 WeakPolarHBondContact O-CB 3.42Å; E96-R100 WeakPolarHBondContact O-CG 3.35Å; E96-R100 PolarHBondContact O-N 2.87Å
97	K	71	Confident	61	Low	162 Å²	162	130.6 Å²	130.6	70%	0.704	61%	0.607	S	S	*	*	H	α-helix	trans	-66	-41.3	173.6	-166.2	175	-176.4	178.4	0	111.8	Q93 R94 R99 R100 Q101	Q93-K97 VanDerWaalsContact O-CB 3.31Å; Q93-K97 WeakPolarHBondContact O-CB 3.48Å; Q93-K97 PolarHBondContact O-N 3.1Å; R94-K97 PolarHBondContact O-N 3.46Å; K97-R99 VanDerWaalsContact C-N 3.35Å; K97-R100 PolarHBondContact O-N 3.28Å; K97-Q101 WeakPolarHBondContact O-CB 3.49Å; K97-Q101 PolarHBondContact O-N 2.83Å
98	Q	66.8	Low	60.9	Low	113 Å²	113	136.8 Å²	136.8	53%	0.528	63%	0.625	S	S	.	*	H	α-helix	trans	-67.9	-34.8	174.2	-166.3	176.6	7.5	0	0	112.1	R94 R95 Q101 R102	R94-Q98 PolarHBondContact O-N 3.23Å; R94-Q98 VanDerWaalsContact O-N 3.08Å; R95-Q98 PolarHBondContact O-N 2.93Å; Q98-Q101 PolarHBondContact O-N 3.29Å; Q98-R102 PolarHBondContact O-N 3.46Å
99	R	70.7	Confident	60.6	Low	141 Å²	141	136.6 Å²	136.6	53%	0.532	63%	0.631	S	S	.	*	H	α-helix	trans	-67.3	-43	173.4	-163.3	173.7	78.5	111.3	5	111.6	R95 E96 K97 Q101 R102 L103	R95-R99 WeakPolarHBondContact O-CB 2.85Å; R95-R99 PolarHBondContact O-N 3.49Å; E96-R99 PolarHBondContact O-N 3.11Å; E96-R99 IonicContact OE1-CZ 3.55Å; E96-R99 IonicContact OE1-NE 3.77Å; E96-R99 PolarHBondContact OE1-NE 2.94Å; E96-R99 IonicContact OE1-NH2 3.65Å; E96-R99 PolarHBondContact OE1-NH2 3.04Å; E96-R99 IonicContact OE2-CZ 3.46Å; E96-R99 IonicContact OE2-NE 2.78Å; E96-R99 PolarHBondContact OE2-NE 2.86Å; E96-R99 IonicContact OE2-NH2 2.95Å; E96-R99 PolarHBondContact OE2-NH2 3.47Å; K97-R99 VanDerWaalsContact C-N 3.35Å; R99-Q101 VanDerWaalsContact C-N 3.35Å; R99-R102 PolarHBondContact O-N 3.46Å; R99-L103 HydrophobicContact CG-CD1 4.26Å; R99-L103 WeakPolarHBondContact O-CB 3.47Å; R99-L103 VanDerWaalsContact O-CG 3.26Å; R99-L103 WeakPolarHBondContact O-CG 3.43Å; R99-L103 PolarHBondContact O-N 2.63Å
100	R	70	Confident	59.6	Low	179 Å²	179	135.5 Å²	135.5	68%	0.675	63%	0.633	S	S	*	*	H	α-helix	trans	-64.6	-36.8	173.3	-76.2	179.7	118.2	-122.8	1.9	112.3	E96 K97 L103 Q104	E96-R100 WeakPolarHBondContact O-CB 3.42Å; E96-R100 WeakPolarHBondContact O-CG 3.35Å; E96-R100 PolarHBondContact O-N 2.87Å; K97-R100 PolarHBondContact O-N 3.28Å; R100-L103 PolarHBondContact O-N 3.27Å; R100-Q104 VanDerWaalsContact O-CB 3.31Å; R100-Q104 WeakPolarHBondContact O-CB 3.38Å; R100-Q104 PolarHBondContact O-N 3.48Å
101	Q	69.8	Low	58.6	Low	122 Å²	122	139.3 Å²	139.3	57%	0.57	65%	0.648	S	S	*	*	H	α-helix	trans	-67.9	-42.3	176.2	-163.7	169.7	28.1	0	0	111.7	K97 Q98 R99 Q104 E105	K97-Q101 WeakPolarHBondContact O-CB 3.49Å; K97-Q101 PolarHBondContact O-N 2.83Å; Q98-Q101 PolarHBondContact O-N 3.29Å; R99-Q101 VanDerWaalsContact C-N 3.35Å; Q101-Q104 PolarHBondContact O-N 3.42Å; Q101-E105 PolarHBondContact O-N 2.96Å
102	R	66.8	Low	57.8	Low	165 Å²	165	138.2 Å²	138.2	62%	0.623	65%	0.651	S	S	*	*	H	α-helix	trans	-64.3	-41.1	171.2	-85.1	-171.5	177.1	-158.2	-1.3	112.8	Q98 R99 Q104 E105 L106	Q98-R102 PolarHBondContact O-N 3.46Å; R99-R102 PolarHBondContact O-N 3.46Å; R102-Q104 VanDerWaalsContact C-N 3.29Å; R102-Q104 PolarHBondContact O-N 3.29Å; R102-E105 PolarHBondContact O-N 3.48Å; R102-L106 VanDerWaalsContact O-CB 3.31Å; R102-L106 WeakPolarHBondContact O-CB 3.47Å; R102-L106 VanDerWaalsContact O-CD1 3.31Å; R102-L106 WeakPolarHBondContact O-CD1 3.31Å; R102-L106 VanDerWaalsContact O-CG 3.32Å; R102-L106 WeakPolarHBondContact O-CG 3.47Å; R102-L106 PolarHBondContact O-N 2.86Å
103	L	64.3	Low	56.1	Low	84 Å²	84	142 Å²	142	44%	0.44	66%	0.662	S	S	.	*	H	α-helix	trans	-64.6	-36.6	176	-76	165.2	0	0	0	110.9	R99 R100 L106 S107	R99-L103 HydrophobicContact CG-CD1 4.26Å; R99-L103 WeakPolarHBondContact O-CB 3.47Å; R99-L103 VanDerWaalsContact O-CG 3.26Å; R99-L103 WeakPolarHBondContact O-CG 3.43Å; R99-L103 PolarHBondContact O-N 2.63Å; R100-L103 PolarHBondContact O-N 3.27Å; L103-L106 PolarHBondContact O-N 2.88Å; L103-S107 VanDerWaalsContact O-CB 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.42Å; L103-S107 PolarHBondContact O-N 3.31Å; L103-S107 PolarHBondContact O-OG 2.91Å
104	Q	64.9	Low	54.8	Low	151 Å²	151	144 Å²	144	71%	0.706	67%	0.671	S	S	*	*	H	α-helix	trans	-70.6	-32.6	175.5	-167.2	168.1	24.6	0	0	112.9	R100 Q101 R102	R100-Q104 VanDerWaalsContact O-CB 3.31Å; R100-Q104 WeakPolarHBondContact O-CB 3.38Å; R100-Q104 PolarHBondContact O-N 3.48Å; Q101-Q104 PolarHBondContact O-N 3.42Å; R102-Q104 VanDerWaalsContact C-N 3.29Å; R102-Q104 PolarHBondContact O-N 3.29Å
105	E	59.9	Low	53.3	Low	133 Å²	133	143.3 Å²	143.3	62%	0.621	68%	0.677	S	S	*	*	H	α-helix	trans	-71.4	-36.3	170.3	-77.9	176.3	159.8	0	0	112.3	Q101 R102	Q101-E105 PolarHBondContact O-N 2.96Å; R102-E105 PolarHBondContact O-N 3.48Å
106	L	48.2	Very low	51.8	Low	118 Å²	118	144.1 Å²	144.1	62%	0.618	69%	0.688	S	S	*	*	H	α-helix	trans	-76.3	-35.5	178.4	-78.9	155.2	0	0	0	112.7	R102 L103 Q108 D109	R102-L106 VanDerWaalsContact O-CB 3.31Å; R102-L106 WeakPolarHBondContact O-CB 3.47Å; R102-L106 VanDerWaalsContact O-CD1 3.31Å; R102-L106 WeakPolarHBondContact O-CD1 3.31Å; R102-L106 VanDerWaalsContact O-CG 3.32Å; R102-L106 WeakPolarHBondContact O-CG 3.47Å; R102-L106 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 2.88Å; L106-Q108 PolarHBondContact O-N 3.01Å; L106-D109 PolarHBondContact O-N 3.47Å
107	S	50.4	Low	50	Low	103 Å²	103	149.7 Å²	149.7	72%	0.72	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-4.8	175.7	-62.9	0	0	0	0	113.6	L103	L103-S107 VanDerWaalsContact O-CB 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.42Å; L103-S107 PolarHBondContact O-N 3.31Å; L103-S107 PolarHBondContact O-OG 2.91Å
108	Q	49.9	Very low	48.5	Very low	171 Å²	171	149.2 Å²	149.2	80%	0.799	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-7.5	176.5	-147	163.7	40.9	0	0	112.9	L106	L106-Q108 PolarHBondContact O-N 3.01Å
109	D	37.1	Very low	47.1	Very low	159 Å²	159	149.5 Å²	149.5	85%	0.85	73%	0.729	S	S	*	*	S	Bend	trans	-135.2	23.5	-166.4	-123	11.7	0	0	0	114.7	L106	L106-D109 PolarHBondContact O-N 3.47Å
110	G	28.9	Very low	45.3	Very low	60 Å²	60	152 Å²	152	62%	0.619	74%	0.744	S	S	*	*			trans	-179.9	85.3	177.2	0	0	0	0	0	113.5
111	E	36.8	Very low	43.8	Very low	185 Å²	185	150.3 Å²	150.3	86%	0.864	75%	0.745	S	S	*	*			trans	-61	148.6	144.6	-62.8	-177.2	157	0	0	108.2
112	E	32.1	Very low	42.3	Very low	178 Å²	178	154.3 Å²	154.3	83%	0.832	76%	0.761	S	S	*	*			trans	106.7	121.5	166.4	-55.1	-178.7	177.6	0	0	118.2
113	E	30.1	Very low	40.9	Very low	173 Å²	173	152.9 Å²	152.9	81%	0.808	77%	0.766	S	S	*	*			trans	84.7	92.4	158.6	-62.4	-177.7	168.5	0	0	118.8
114	E	33.3	Very low	39.3	Very low	174 Å²	174	155.8 Å²	155.8	81%	0.813	78%	0.782	S	S	*	*				78.8	105.6	93.8	-77.5	-169.5	179.7	0	0	113.1
115	E	34.7	Very low	38.1	Very low	183 Å²	183	155.8 Å²	155.8	86%	0.855	79%	0.792	S	S	*	*				55.5	102.1	88.1	-72.1	-165.6	176.1	0	0	114
116	E	32.1	Very low	37.1	Very low	196 Å²	196	153.7 Å²	153.7	92%	0.916	80%	0.797	S	S	*	*				-179.1	151.6	119.3	-98.1	-177.1	-178.8	0	0	112.8
117	E	32.7	Very low	36.4	Very low	194 Å²	194	158 Å²	158	91%	0.907	81%	0.81	S	S	*	*			trans	88.2	71.2	160.9	-116.8	-179	179.3	0	0	120.3
118	N	39.2	Very low	36	Very low	151 Å²	151	162.7 Å²	162.7	81%	0.807	82%	0.818	S	S	*	*			trans	-88.9	166.3	147.4	-168.3	12.8	0	0	0	109.4
119	V	36.5	Very low	35.2	Very low	120 Å²	120	159.3 Å²	159.3	73%	0.727	82%	0.819	S	S	*	*			trans	93	72.9	163.5	-159.6	0	0	0	0	118.1
120	F	34.6	Very low	34.9	Very low	193 Å²	193	156.2 Å²	156.2	85%	0.846	82%	0.816	S	S	*	*			trans	-158.6	145.9	142.5	-140.8	-114.8	0	0	0	111.6
121	M	38.6	Very low	35	Very low	144 Å²	144	161.6 Å²	161.6	71%	0.709	82%	0.824	S	S	*	*			trans	86.4	26	170.2	-48.9	-56.5	-92.1	0	0	119.2	N123	M121-N123 PolarHBondContact O-N 3.11Å; M121-N123 VanDerWaalsContact O-N 3.16Å
122	K	37.9	Very low	35.1	Very low	205 Å²	205	157.8 Å²	157.8	89%	0.891	82%	0.824	S	S	*	*			trans	-81.5	68.2	153.2	-156.7	174.9	-169.4	175.2	0	109.2
123	N	37.2	Very low	35.4	Very low	136 Å²	136	151.3 Å²	151.3	73%	0.727	80%	0.801	S	S	*	*			trans	-166.6	104.4	169.2	-91.5	-25.1	0	0	0	108.5	M121	M121-N123 PolarHBondContact O-N 3.11Å; M121-N123 VanDerWaalsContact O-N 3.16Å
124	N	30.6	Very low	35.8	Very low	145 Å²	145	148.7 Å²	148.7	78%	0.775	79%	0.792	S	S	*	*			trans	170.7	40.4	143.7	-80.4	-32.1	0	0	0	112.1	A126	N124-A126 PolarHBondContact O-N 3.34Å
125	V	39.8	Very low	35.9	Very low	151 Å²	151	146 Å²	146	92%	0.915	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	2.1	163.2	162.6	0	0	0	0	112.7
126	A	39	Very low	36.2	Very low	88 Å²	88	140 Å²	140	73%	0.727	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	6.5	-167.9	0	0	0	0	0	116.8	N124	N124-A126 PolarHBondContact O-N 3.34Å
127	K	33.3	Very low	36.4	Very low	208 Å²	208	136.1 Å²	136.1	90%	0.904	74%	0.742	S	S	*	*			trans	-125.9	41.4	-176.5	-67.2	-172.4	-179.3	175.3	0	115.4
128	K	41.5	Very low	37.4	Very low	202 Å²	202	131 Å²	131	88%	0.878	73%	0.728	S	S	*	*			trans	-103.8	92.4	160.9	-176.9	173.3	-176	172.5	0	108.2
129	A	32.7	Very low	37.9	Very low	100 Å²	100	128.5 Å²	128.5	83%	0.826	72%	0.719	S	S	*	*			trans	172.4	76.7	159.9	0	0	0	0	0	112.5
130	A	31.1	Very low	38.6	Very low	94 Å²	94	128 Å²	128	78%	0.777	72%	0.716	S	S	*	*	S	Bend	trans	-172.2	137.5	153.1	0	0	0	0	0	109.1
131	H	31.2	Very low	39.3	Very low	173 Å²	173	127.2 Å²	127.2	80%	0.801	72%	0.715	S	S	*	*			trans	81.2	43.3	166.7	-87.3	-83.6	0	0	0	119.5
132	A	39.9	Very low	39.6	Very low	105 Å²	105	125.9 Å²	125.9	87%	0.868	70%	0.702	S	S	*	*				-91.4	105.2	124.3	0	0	0	0	0	107.3
133	A	36.8	Very low	40.2	Very low	42 Å²	42	121 Å²	121	35%	0.347	68%	0.682	S	S	.	*			trans	-175.5	131.1	159.3	0	0	0	0	0	110.1
134	L	39.1	Very low	40.9	Very low	118 Å²	118	120.1 Å²	120.1	62%	0.618	68%	0.678	S	S	*	*	S	Bend	trans	87.5	101.6	-178	-47	171.2	0	0	0	111	E73	E73-L134 WeakPolarHBondContact OE1-CA 3.48Å; E73-L134 PolarHBondContact OE1-N 3.37Å
135	T	35.3	Very low	41.7	Very low	117 Å²	117	119.2 Å²	119.2	72%	0.718	67%	0.669	S	S	*	*			cis	-164.3	154.8	41.4	-37.9	0	0	0	0	110.8
136	L	41.3	Very low	42.2	Very low	57 Å²	57	117.3 Å²	117.3	30%	0.298	65%	0.65	S	S	.	*			trans	-133.7	146.6	-174	-130.7	104.9	0	0	0	112.6	R72 E73 L74	R72-L136 PolarHBondContact N-O 2.92Å; E73-L136 HydrophobicContact CB-CB 4.22Å; E73-L136 HydrophobicContact CB-CD1 4.05Å; E73-L136 HydrophobicContact CG-CB 3.76Å; E73-L136 HydrophobicContact CG-CD1 3.58Å; E73-L136 HydrophobicContact CG-CG 4.23Å; L74-L136 HydrophobicContact CB-CD1 4.5Å; L74-L136 HydrophobicContact CD2-CD1 3.71Å; L74-L136 HydrophobicContact CG-CD1 3.86Å
137	F	35.5	Very low	43	Very low	115 Å²	115	116.5 Å²	116.5	50%	0.504	63%	0.634	S	S	.	*			trans	-138.2	163.9	147.4	-79	-105.2	0	0	0	108.8
138	S	54.5	Low	44.2	Very low	88 Å²	88	109.1 Å²	109.1	62%	0.615	61%	0.611	S	S	*	*			trans	-68.9	135.2	-178.1	-173.2	0	0	0	0	113.1	V140	S138-V140 PolarHBondContact O-N 3.38Å
139	P	48.4	Very low	45	Very low	97 Å²	97	102.7 Å²	102.7	63%	0.63	59%	0.586	S	S	*	*	S	Bend	trans	-69.2	-22	-167.7	-21.8	33.6	0	0	0	117.1
140	V	51.6	Low	46.3	Very low	109 Å²	109	102.1 Å²	102.1	66%	0.661	57%	0.57	S	S	*	*	H	α-helix	trans	-87.1	-31.7	-163.4	176.8	0	0	0	0	114	S138	S138-V140 PolarHBondContact O-N 3.38Å
141	Q	49.7	Very low	48.3	Very low	177 Å²	177	103.4 Å²	103.4	83%	0.827	56%	0.562	S	S	*	*	H	α-helix	trans	-91.7	-10	-176.3	-141.9	161.4	11.5	0	0	113.8
142	R	45.3	Very low	50	Low	117 Å²	117	102 Å²	102	44%	0.442	55%	0.55	S	S	.	.	H	α-helix	trans	-85.7	-32.3	168.6	-70.3	-165	-166.7	169.8	-9.4	112.6	D144 Q145 E146	R142-D144 PolarHBondContact O-N 3.27Å; R142-Q145 PolarHBondContact O-N 3.5Å; R142-E146 WeakPolarHBondContact O-CB 3.17Å; R142-E146 WeakPolarHBondContact O-CG 3.23Å; R142-E146 PolarHBondContact O-N 2.77Å
143	Q	51.2	Low	51.3	Low	101 Å²	101	102 Å²	102	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-59	-46.7	-179.6	-161.4	78.8	44.8	0	0	110.7	Q145 E146 D147	Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.48Å; Q143-E146 PolarHBondContact O-N 3.11Å; Q143-D147 WeakPolarHBondContact O-CB 3.25Å; Q143-D147 PolarHBondContact O-N 3.39Å
144	D	50.1	Low	52.6	Low	118 Å²	118	104.3 Å²	104.3	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-69.2	-27.5	-178.6	-64.6	-25.3	0	0	0	113.9	R142 A148	R142-D144 PolarHBondContact O-N 3.27Å; D144-A148 PolarHBondContact O-N 3.44Å
145	Q	47.4	Very low	54.3	Low	126 Å²	126	100.9 Å²	100.9	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-83.2	-41.1	177.4	-167.4	73.2	43.6	0	0	111.5	R142 Q143 A148 D149	R142-Q145 PolarHBondContact O-N 3.5Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.48Å; Q145-A148 PolarHBondContact O-N 3.4Å; Q145-D149 PolarHBondContact O-N 2.84Å; Q145-D149 VanDerWaalsContact O-N 3.1Å
146	E	51.4	Low	56.2	Low	112 Å²	112	100.3 Å²	100.3	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-69.2	-34.8	176	-71.7	172.9	-162.7	0	0	111.8	R142 Q143 N150	R142-E146 WeakPolarHBondContact O-CB 3.17Å; R142-E146 WeakPolarHBondContact O-CG 3.23Å; R142-E146 PolarHBondContact O-N 2.77Å; Q143-E146 PolarHBondContact O-N 3.11Å; E146-N150 WeakPolarHBondContact O-CB 3.35Å; E146-N150 PolarHBondContact O-N 3.43Å
147	D	56	Low	57.4	Low	71 Å²	71	106.6 Å²	106.6	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-68.9	-37.9	175.8	-69.7	-22.3	0	0	0	111.2	Q143 I151	Q143-D147 WeakPolarHBondContact O-CB 3.25Å; Q143-D147 PolarHBondContact O-N 3.39Å; D147-I151 WeakPolarHBondContact O-CB 3.23Å; D147-I151 WeakPolarHBondContact O-CD1 3.44Å; D147-I151 WeakPolarHBondContact O-CG1 3.32Å; D147-I151 PolarHBondContact O-N 3.33Å
148	A	58.1	Low	59.3	Low	52 Å²	52	108.2 Å²	108.2	43%	0.43	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-38.9	175.7	0	0	0	0	0	112.7	D144 Q145 R152	D144-A148 PolarHBondContact O-N 3.44Å; Q145-A148 PolarHBondContact O-N 3.4Å; A148-R152 PolarHBondContact O-N 2.97Å
149	D	58.7	Low	60.1	Low	67 Å²	67	109.2 Å²	109.2	36%	0.358	54%	0.536	S	S	.	.	H	α-helix	trans	-76.9	-30.2	177.7	-74.2	-39	0	0	0	112.5	Q145 R152 M153	Q145-D149 PolarHBondContact O-N 2.84Å; Q145-D149 VanDerWaalsContact O-N 3.1Å; D149-R152 PolarHBondContact O-N 2.84Å; D149-R152 IonicContact OD1-NH1 3.18Å; D149-R152 PolarHBondContact OD1-NH1 2.73Å; D149-M153 PolarHBondContact O-N 3.32Å
150	N	60.3	Low	61.5	Low	89 Å²	89	110 Å²	110	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-72.1	-38.2	173.3	-162.6	19.1	0	0	0	111.7	E146 R152 M153 E154	E146-N150 WeakPolarHBondContact O-CB 3.35Å; E146-N150 PolarHBondContact O-N 3.43Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 3.22Å; N150-M153 PolarHBondContact O-N 2.81Å; N150-E154 WeakPolarHBondContact O-CB 3.48Å; N150-E154 PolarHBondContact O-N 3.41Å
151	I	72.1	Confident	62.7	Low	120 Å²	120	113.2 Å²	113.2	62%	0.615	54%	0.536	S	S	*	.	H	α-helix	trans	-62.7	-39.6	172	-68.6	165.4	0	0	0	110.8	D147 E154 A155	D147-I151 WeakPolarHBondContact O-CB 3.23Å; D147-I151 WeakPolarHBondContact O-CD1 3.44Å; D147-I151 WeakPolarHBondContact O-CG1 3.32Å; D147-I151 PolarHBondContact O-N 3.33Å; I151-E154 PolarHBondContact O-N 2.92Å; I151-A155 WeakPolarHBondContact O-CB 3.44Å; I151-A155 PolarHBondContact O-N 3.24Å; I151-A155 VanDerWaalsContact O-N 3.09Å
152	R	66.5	Low	64.3	Low	143 Å²	143	111.3 Å²	111.3	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.5	-150.8	-178.1	96.1	-127.6	6	112	A148 D149 N150 A155 E156	A148-R152 PolarHBondContact O-N 2.97Å; D149-R152 PolarHBondContact O-N 2.84Å; D149-R152 IonicContact OD1-NH1 3.18Å; D149-R152 PolarHBondContact OD1-NH1 2.73Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 3.22Å; R152-A155 PolarHBondContact O-N 2.92Å; R152-E156 IonicContact NE-OE1 3.15Å; R152-E156 PolarHBondContact NE-OE1 2.9Å; R152-E156 WeakPolarHBondContact O-CG 3.46Å; R152-E156 PolarHBondContact O-N 3.18Å; R152-E156 VanDerWaalsContact O-N 3.1Å
153	M	68.8	Low	66	Low	105 Å²	105	109 Å²	109	52%	0.517	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-40.7	173.9	-98.3	-137.1	-60.4	0	0	112.9	D149 N150 A155 E156 W157	D149-M153 PolarHBondContact O-N 3.32Å; N150-M153 PolarHBondContact O-N 2.81Å; M153-A155 VanDerWaalsContact C-N 3.28Å; M153-A155 PolarHBondContact O-N 3.24Å; M153-E156 PolarHBondContact O-N 3.37Å; M153-W157 VanDerWaalsContact O-CD1 3.31Å; M153-W157 PolarHBondContact O-N 3.43Å
154	E	64.3	Low	67.5	Low	91 Å²	91	108.7 Å²	108.7	43%	0.425	52%	0.52	S	S	.	.	H	α-helix	trans	-69.3	-27.1	-179.6	-141.6	-174.7	149	0	0	112.4	N150 I151 R158	N150-E154 WeakPolarHBondContact O-CB 3.48Å; N150-E154 PolarHBondContact O-N 3.41Å; I151-E154 PolarHBondContact O-N 2.92Å; E154-R158 WeakPolarHBondContact O-CB 3.46Å; E154-R158 PolarHBondContact O-N 3.34Å; E154-R158 IonicContact OE1-CZ 3.91Å; E154-R158 IonicContact OE1-NH1 3.26Å; E154-R158 PolarHBondContact OE1-NH1 3.25Å; E154-R158 IonicContact OE1-NH2 3.41Å; E154-R158 PolarHBondContact OE1-NH2 3.46Å; E154-R158 IonicContact OE2-NH2 2.74Å
155	A	73.6	Confident	69	Low	46 Å²	46	106.7 Å²	106.7	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-75.9	-38.3	172.2	0	0	0	0	0	112.6	I151 R152 M153 N159	I151-A155 WeakPolarHBondContact O-CB 3.44Å; I151-A155 PolarHBondContact O-N 3.24Å; I151-A155 VanDerWaalsContact O-N 3.09Å; R152-A155 PolarHBondContact O-N 2.92Å; M153-A155 VanDerWaalsContact C-N 3.28Å; M153-A155 PolarHBondContact O-N 3.24Å; A155-N159 PolarHBondContact O-N 2.9Å; A155-N159 VanDerWaalsContact O-N 3.17Å; A155-N159 PolarHBondContact O-ND2 2.89Å
156	E	74.6	Confident	70.8	Confident	106 Å²	106	108.2 Å²	108.2	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-68.6	-41.9	176.4	-72	171.5	-167.2	0	0	111.1	R152 M153 R158 N159 D160	R152-E156 IonicContact NE-OE1 3.15Å; R152-E156 PolarHBondContact NE-OE1 2.9Å; R152-E156 WeakPolarHBondContact O-CG 3.46Å; R152-E156 PolarHBondContact O-N 3.18Å; R152-E156 VanDerWaalsContact O-N 3.1Å; M153-E156 PolarHBondContact O-N 3.37Å; E156-R158 PolarHBondContact O-N 3Å; E156-N159 PolarHBondContact O-N 2.95Å; E156-D160 PolarHBondContact O-N 3.17Å
157	W	67.6	Low	72.4	Confident	188 Å²	188	108.4 Å²	108.4	71%	0.712	51%	0.508	S	S	*	.	H	α-helix	trans	-65.9	-35.7	174.7	-88.2	82.7	0	0	0	113.7	M153 Y161	M153-W157 VanDerWaalsContact O-CD1 3.31Å; M153-W157 PolarHBondContact O-N 3.43Å; W157-Y161 WeakPolarHBondContact O-CB 3.33Å; W157-Y161 PolarHBondContact O-N 3.02Å
158	R	76.1	Confident	73.8	Confident	150 Å²	150	107.2 Å²	107.2	57%	0.566	51%	0.508	S	S	*	.	H	α-helix	trans	-65.4	-42.3	174.2	-92.1	-172.4	-96	-90.3	4.5	112	E154 E156 E162	E154-R158 WeakPolarHBondContact O-CB 3.46Å; E154-R158 PolarHBondContact O-N 3.34Å; E154-R158 IonicContact OE1-CZ 3.91Å; E154-R158 IonicContact OE1-NH1 3.26Å; E154-R158 PolarHBondContact OE1-NH1 3.25Å; E154-R158 IonicContact OE1-NH2 3.41Å; E154-R158 PolarHBondContact OE1-NH2 3.46Å; E154-R158 IonicContact OE2-NH2 2.74Å; E156-R158 PolarHBondContact O-N 3Å; R158-E162 WeakPolarHBondContact O-CB 3.48Å; R158-E162 PolarHBondContact O-N 2.86Å
159	N	70.9	Confident	75.1	Confident	108 Å²	108	112.7 Å²	112.7	58%	0.578	52%	0.522	S	S	*	.	H	α-helix	trans	-66.7	-39	177.6	-78.5	-57	0	0	0	112.5	A155 E156 E162 E163	A155-N159 PolarHBondContact O-N 2.9Å; A155-N159 VanDerWaalsContact O-N 3.17Å; A155-N159 PolarHBondContact O-ND2 2.89Å; E156-N159 PolarHBondContact O-N 2.95Å; N159-E162 PolarHBondContact O-N 3.49Å; N159-E163 WeakPolarHBondContact O-CB 3.43Å; N159-E163 PolarHBondContact O-N 3.24Å
160	D	78.1	Confident	76.3	Confident	114 Å²	114	115.6 Å²	115.6	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-71.7	-37.9	-179.5	-151.4	42.7	0	0	0	111.8	E156 E163 E164	E156-D160 PolarHBondContact O-N 3.17Å; D160-E163 PolarHBondContact O-N 2.95Å; D160-E164 WeakPolarHBondContact O-CB 3.36Å; D160-E164 PolarHBondContact O-N 3.34Å
161	Y	75.9	Confident	77.3	Confident	176 Å²	176	118.3 Å²	118.3	69%	0.69	54%	0.537	S	S	*	.	H	α-helix	trans	-66.3	-40.1	173.3	-165.9	-99.4	0	0	0	112.1	W157 E164 V165	W157-Y161 WeakPolarHBondContact O-CB 3.33Å; W157-Y161 PolarHBondContact O-N 3.02Å; Y161-E164 PolarHBondContact O-N 2.96Å; Y161-V165 HydrophobicContact CD1-CG2 4.04Å; Y161-V165 HydrophobicContact CE1-CG2 3.8Å; Y161-V165 WeakPolarHBondContact O-CB 3.5Å; Y161-V165 WeakPolarHBondContact O-CG2 3.48Å; Y161-V165 PolarHBondContact O-N 2.98Å
162	E	82.4	Confident	77.6	Confident	138 Å²	138	117.6 Å²	117.6	65%	0.645	53%	0.531	S	S	*	.	H	α-helix	trans	-69.6	-34.7	178.6	-156.6	162.4	-148.8	0	0	111.7	R158 N159 R166	R158-E162 WeakPolarHBondContact O-CB 3.48Å; R158-E162 PolarHBondContact O-N 2.86Å; N159-E162 PolarHBondContact O-N 3.49Å; E162-R166 WeakPolarHBondContact O-CB 3.39Å; E162-R166 PolarHBondContact O-N 3.39Å
163	E	81.1	Confident	78.4	Confident	68 Å²	68	112 Å²	112	32%	0.318	52%	0.519	S	S	.	.	H	α-helix	trans	-70.7	-39.3	173.7	-168.3	170.6	-179.1	0	0	113	N159 D160 R166 R167	N159-E163 WeakPolarHBondContact O-CB 3.43Å; N159-E163 PolarHBondContact O-N 3.24Å; D160-E163 PolarHBondContact O-N 2.95Å; E163-R166 WeakPolarHBondContact O-CB 3.25Å; E163-R166 PolarHBondContact O-N 3.16Å; E163-R166 IonicContact OE1-NH2 2.73Å; E163-R166 PolarHBondContact OE1-NH2 3.5Å; E163-R167 WeakPolarHBondContact O-CG 3.24Å; E163-R167 PolarHBondContact O-N 2.87Å; E163-R167 IonicContact OE1-CZ 3.2Å; E163-R167 IonicContact OE1-NE 3.97Å; E163-R167 PolarHBondContact OE1-NE 2.7Å; E163-R167 IonicContact OE1-NH2 3.85Å; E163-R167 PolarHBondContact OE1-NH2 3.46Å
164	E	83.9	Confident	78.8	Confident	95 Å²	95	113.3 Å²	113.3	44%	0.444	53%	0.525	S	S	.	.	H	α-helix	trans	-69.2	-37.2	176.3	-167.3	59.3	-145.8	0	0	111.6	D160 Y161 R166 R167 A168 R171	D160-E164 WeakPolarHBondContact O-CB 3.36Å; D160-E164 PolarHBondContact O-N 3.34Å; Y161-E164 PolarHBondContact O-N 2.96Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 3.5Å; E164-R167 PolarHBondContact O-N 3.47Å; E164-A168 VanDerWaalsContact O-CB 3.31Å; E164-A168 WeakPolarHBondContact O-CB 3.48Å; E164-A168 PolarHBondContact O-N 3.35Å; E164-R171 IonicContact OE1-NH1 3.42Å
165	V	81.3	Confident	79.7	Confident	76 Å²	76	116.1 Å²	116.1	46%	0.461	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-39.4	171.8	169.9	0	0	0	0	111.1	Y161 A168 K169	Y161-V165 HydrophobicContact CD1-CG2 4.04Å; Y161-V165 HydrophobicContact CE1-CG2 3.8Å; Y161-V165 WeakPolarHBondContact O-CB 3.5Å; Y161-V165 WeakPolarHBondContact O-CG2 3.48Å; Y161-V165 PolarHBondContact O-N 2.98Å; V165-A168 PolarHBondContact O-N 2.89Å; V165-K169 WeakPolarHBondContact O-CB 3.29Å; V165-K169 PolarHBondContact O-N 3.44Å
166	R	85.4	Confident	80	Confident	158 Å²	158	119.6 Å²	119.6	60%	0.596	54%	0.542	S	S	*	.	H	α-helix	trans	-64.3	-45.1	174.9	-170.8	-177	65.9	143	-1.5	111.7	E162 E163 E164 K169 E170	E162-R166 WeakPolarHBondContact O-CB 3.39Å; E162-R166 PolarHBondContact O-N 3.39Å; E163-R166 WeakPolarHBondContact O-CB 3.25Å; E163-R166 PolarHBondContact O-N 3.16Å; E163-R166 IonicContact OE1-NH2 2.73Å; E163-R166 PolarHBondContact OE1-NH2 3.5Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 3.5Å; R166-K169 PolarHBondContact O-N 3.46Å; R166-E170 PolarHBondContact O-N 3.48Å
167	R	85.1	Confident	80.2	Confident	116 Å²	116	119.9 Å²	119.9	44%	0.438	55%	0.547	S	S	.	.	H	α-helix	trans	-66.3	-36.6	177.3	-70.1	175	-176.6	-146	3.4	112.2	E163 E164 E170 R171	E163-R167 WeakPolarHBondContact O-CG 3.24Å; E163-R167 PolarHBondContact O-N 2.87Å; E163-R167 IonicContact OE1-CZ 3.2Å; E163-R167 IonicContact OE1-NE 3.97Å; E163-R167 PolarHBondContact OE1-NE 2.7Å; E163-R167 IonicContact OE1-NH2 3.85Å; E163-R167 PolarHBondContact OE1-NH2 3.46Å; E164-R167 PolarHBondContact O-N 3.47Å; R167-E170 PolarHBondContact O-N 2.91Å; R167-R171 WeakPolarHBondContact O-CG 3.41Å; R167-R171 PolarHBondContact O-N 2.7Å
168	A	85.5	Confident	80.9	Confident	46 Å²	46	118.7 Å²	118.7	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-66	-40.9	174.8	0	0	0	0	0	112	E164 V165 R171 E172	E164-A168 VanDerWaalsContact O-CB 3.31Å; E164-A168 WeakPolarHBondContact O-CB 3.48Å; E164-A168 PolarHBondContact O-N 3.35Å; V165-A168 PolarHBondContact O-N 2.89Å; A168-R171 PolarHBondContact O-N 2.73Å; A168-E172 PolarHBondContact O-N 3.23Å
169	K	85.3	Confident	81.2	Confident	166 Å²	166	117.2 Å²	117.2	72%	0.722	55%	0.55	S	S	*	.	H	α-helix	trans	-66.4	-37.1	176.5	-164.5	173.5	-177.2	176.8	0	112.2	V165 R166 E172 G173	V165-K169 WeakPolarHBondContact O-CB 3.29Å; V165-K169 PolarHBondContact O-N 3.44Å; R166-K169 PolarHBondContact O-N 3.46Å; K169-E172 PolarHBondContact O-N 2.86Å; K169-G173 PolarHBondContact O-N 3.34Å
170	E	82.8	Confident	81.6	Confident	128 Å²	128	116.4 Å²	116.4	60%	0.598	55%	0.545	S	S	*	.	H	α-helix	trans	-67.3	-41.1	173.7	-167.9	177.8	-177.8	0	0	112.1	R166 R167 G173 M174	R166-E170 PolarHBondContact O-N 3.48Å; R167-E170 PolarHBondContact O-N 2.91Å; E170-G173 PolarHBondContact O-N 2.8Å; E170-M174 WeakPolarHBondContact O-CB 3.29Å; E170-M174 PolarHBondContact O-N 3.46Å
171	R	82.1	Confident	81.5	Confident	146 Å²	146	116.8 Å²	116.8	55%	0.551	55%	0.546	S	S	*	.	H	α-helix	trans	-64.5	-40.6	173.5	-73.1	172.3	179.4	159.1	0.3	112.4	E164 R167 A168 K175	E164-R171 IonicContact OE1-NH1 3.42Å; R167-R171 WeakPolarHBondContact O-CG 3.41Å; R167-R171 PolarHBondContact O-N 2.7Å; A168-R171 PolarHBondContact O-N 2.73Å; R171-K175 WeakPolarHBondContact O-CB 3.4Å; R171-K175 VanDerWaalsContact O-CG 3.26Å; R171-K175 WeakPolarHBondContact O-CG 3.34Å; R171-K175 PolarHBondContact O-N 3.4Å
172	E	78.1	Confident	81.3	Confident	105 Å²	105	111.4 Å²	111.4	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-41	171.8	-91.9	-127.5	136.8	0	0	111.9	A168 K169 K175 K176	A168-E172 PolarHBondContact O-N 3.23Å; K169-E172 PolarHBondContact O-N 2.86Å; E172-K175 PolarHBondContact O-N 2.83Å; E172-K176 WeakPolarHBondContact O-CB 3.35Å; E172-K176 VanDerWaalsContact O-CG 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.48Å; E172-K176 PolarHBondContact O-N 3.29Å; E172-K176 WeakPolarHBondContact OE2-CE 3.45Å; E172-K176 IonicContact OE2-NZ 3.56Å; E172-K176 PolarHBondContact OE2-NZ 3.1Å
173	G	83.4	Confident	80.7	Confident	27 Å²	27	108.2 Å²	108.2	28%	0.278	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-46.6	175.3	0	0	0	0	0	112.3	K169 E170 K175 K176 N177	K169-G173 PolarHBondContact O-N 3.34Å; E170-G173 PolarHBondContact O-N 2.8Å; G173-K175 PolarHBondContact O-N 3.11Å; G173-K176 PolarHBondContact O-N 3.04Å; G173-N177 WeakPolarHBondContact O-CB 3.23Å; G173-N177 PolarHBondContact O-N 3.44Å; G173-N177 PolarHBondContact O-ND2 2.83Å
174	M	78	Confident	80.1	Confident	132 Å²	132	110.7 Å²	110.7	65%	0.65	53%	0.534	S	S	*	.	H	α-helix	trans	-59.6	-42.5	173	-83	-87	-155.9	0	0	112.3	E170 N177 K178	E170-M174 WeakPolarHBondContact O-CB 3.29Å; E170-M174 PolarHBondContact O-N 3.46Å; M174-N177 PolarHBondContact O-N 2.98Å; M174-K178 VanDerWaalsContact O-CB 3.23Å; M174-K178 WeakPolarHBondContact O-CB 3.36Å; M174-K178 PolarHBondContact O-N 3.16Å
175	K	81.6	Confident	78.9	Confident	149 Å²	149	112.6 Å²	112.6	65%	0.648	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-43.1	176.5	-74.3	171.3	-176.5	178.7	0	112.1	R171 E172 G173 K178 L179	R171-K175 WeakPolarHBondContact O-CB 3.4Å; R171-K175 VanDerWaalsContact O-CG 3.26Å; R171-K175 WeakPolarHBondContact O-CG 3.34Å; R171-K175 PolarHBondContact O-N 3.4Å; E172-K175 PolarHBondContact O-N 2.83Å; G173-K175 PolarHBondContact O-N 3.11Å; K175-K178 PolarHBondContact O-N 3.34Å; K175-L179 WeakPolarHBondContact O-CB 3.38Å; K175-L179 PolarHBondContact O-N 2.94Å
176	K	81.4	Confident	77.6	Confident	120 Å²	120	115.7 Å²	115.7	52%	0.522	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-42.8	176.8	-72.5	169.6	-172.1	163.3	0	111.2	E172 G173 L179 L180	E172-K176 WeakPolarHBondContact O-CB 3.35Å; E172-K176 VanDerWaalsContact O-CG 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.48Å; E172-K176 PolarHBondContact O-N 3.29Å; E172-K176 WeakPolarHBondContact OE2-CE 3.45Å; E172-K176 IonicContact OE2-NZ 3.56Å; E172-K176 PolarHBondContact OE2-NZ 3.1Å; G173-K176 PolarHBondContact O-N 3.04Å; K176-L179 PolarHBondContact O-N 3.45Å; K176-L180 VanDerWaalsContact O-CB 3.24Å; K176-L180 WeakPolarHBondContact O-CB 3.31Å; K176-L180 PolarHBondContact O-N 3.44Å
177	N	79.1	Confident	76.1	Confident	111 Å²	111	113.6 Å²	113.6	59%	0.594	56%	0.558	S	S	*	*	H	α-helix	trans	-66.6	-41.7	175.9	-74.9	-20	0	0	0	112.3	G173 M174 L180 L181	G173-N177 WeakPolarHBondContact O-CB 3.23Å; G173-N177 PolarHBondContact O-N 3.44Å; G173-N177 PolarHBondContact O-ND2 2.83Å; M174-N177 PolarHBondContact O-N 2.98Å; N177-L180 PolarHBondContact O-N 2.93Å; N177-L181 WeakPolarHBondContact O-CB 3.45Å; N177-L181 PolarHBondContact O-N 3.45Å
178	K	82.3	Confident	74.4	Confident	163 Å²	163	115.6 Å²	115.6	71%	0.709	57%	0.572	S	S	*	*	H	α-helix	trans	-64.5	-41.4	175.6	-172.4	-175.4	178.6	-164.4	0	112.1	M174 K175 L181 S182	M174-K178 VanDerWaalsContact O-CB 3.23Å; M174-K178 WeakPolarHBondContact O-CB 3.36Å; M174-K178 PolarHBondContact O-N 3.16Å; K175-K178 PolarHBondContact O-N 3.34Å; K178-L181 PolarHBondContact O-N 2.94Å; K178-S182 WeakPolarHBondContact O-CB 3.33Å; K178-S182 PolarHBondContact O-N 2.87Å
179	L	80.6	Confident	72.3	Confident	119 Å²	119	123.2 Å²	123.2	62%	0.623	59%	0.591	S	S	*	*	H	α-helix	trans	-62.5	-45.4	174.1	-173.8	74.2	0	0	0	110.4	K175 K176 L181 S182 T183	K175-L179 WeakPolarHBondContact O-CB 3.38Å; K175-L179 PolarHBondContact O-N 2.94Å; K176-L179 PolarHBondContact O-N 3.45Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.34Å; L179-S182 PolarHBondContact O-N 3.38Å; L179-T183 WeakPolarHBondContact O-CB 3.47Å; L179-T183 PolarHBondContact O-N 3.4Å; L179-T183 PolarHBondContact O-OG1 3.48Å
180	L	80.9	Confident	70.4	Confident	91 Å²	91	119.5 Å²	119.5	48%	0.476	58%	0.584	S	S	.	*	H	α-helix	trans	-67.6	-32.8	179.9	-159	133.2	0	0	0	112.4	K176 N177 K184	K176-L180 VanDerWaalsContact O-CB 3.24Å; K176-L180 WeakPolarHBondContact O-CB 3.31Å; K176-L180 PolarHBondContact O-N 3.44Å; N177-L180 PolarHBondContact O-N 2.93Å; L180-K184 HydrophobicContact CD2-CD 3.96Å; L180-K184 VanDerWaalsContact CD2-CE 3.45Å; L180-K184 WeakPolarHBondContact O-CB 3.31Å; L180-K184 VanDerWaalsContact O-CG 3.23Å; L180-K184 WeakPolarHBondContact O-CG 3.38Å; L180-K184 PolarHBondContact O-N 3Å
181	L	75.8	Confident	68.4	Low	122 Å²	122	119.4 Å²	119.4	64%	0.639	59%	0.587	S	S	*	*	H	α-helix	trans	-70.7	-41.1	171.7	-138.4	75.3	0	0	0	111.6	N177 K178 L179 K184 Q185	N177-L181 WeakPolarHBondContact O-CB 3.45Å; N177-L181 PolarHBondContact O-N 3.45Å; K178-L181 PolarHBondContact O-N 2.94Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.34Å; L181-K184 PolarHBondContact O-N 3.25Å; L181-Q185 VanDerWaalsContact O-CB 3.25Å; L181-Q185 WeakPolarHBondContact O-CB 3.37Å; L181-Q185 PolarHBondContact O-N 2.84Å
182	S	71.9	Confident	66.7	Low	63 Å²	63	118.4 Å²	118.4	44%	0.441	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-45	176	-166.8	0	0	0	0	111.6	K178 L179 Q185 E186	K178-S182 WeakPolarHBondContact O-CB 3.33Å; K178-S182 PolarHBondContact O-N 2.87Å; L179-S182 PolarHBondContact O-N 3.38Å; S182-Q185 PolarHBondContact O-N 3.45Å; S182-E186 VanDerWaalsContact O-CB 3.29Å; S182-E186 WeakPolarHBondContact O-CB 3.43Å; S182-E186 PolarHBondContact O-N 3.05Å
183	T	69.2	Low	65.2	Low	72 Å²	72	122 Å²	122	44%	0.442	61%	0.609	S	S	.	*	H	α-helix	trans	-64.9	-39.6	176	-54.8	0	0	0	0	111.2	L179 E186 T187	L179-T183 WeakPolarHBondContact O-CB 3.47Å; L179-T183 PolarHBondContact O-N 3.4Å; L179-T183 PolarHBondContact O-OG1 3.48Å; T183-E186 PolarHBondContact O-N 3.49Å; T183-T187 WeakPolarHBondContact O-CB 3.47Å; T183-T187 PolarHBondContact O-N 2.99Å; T183-T187 PolarHBondContact O-OG1 3.3Å
184	K	69.1	Low	63.5	Low	120 Å²	120	129.2 Å²	129.2	52%	0.522	64%	0.635	S	S	.	*	H	α-helix	trans	-67.7	-37.1	174.1	-77.5	176.9	177.6	179.7	0	112.8	L180 L181 T187 Q188	L180-K184 HydrophobicContact CD2-CD 3.96Å; L180-K184 VanDerWaalsContact CD2-CE 3.45Å; L180-K184 WeakPolarHBondContact O-CB 3.31Å; L180-K184 VanDerWaalsContact O-CG 3.23Å; L180-K184 WeakPolarHBondContact O-CG 3.38Å; L180-K184 PolarHBondContact O-N 3Å; L181-K184 PolarHBondContact O-N 3.25Å; K184-T187 PolarHBondContact O-N 3.35Å; K184-Q188 WeakPolarHBondContact O-CB 3.38Å; K184-Q188 WeakPolarHBondContact O-CG 3.36Å; K184-Q188 PolarHBondContact O-N 2.88Å
185	Q	57.5	Low	62	Low	134 Å²	134	126.6 Å²	126.6	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-72.4	-30.9	177.4	-162.7	175.9	34.1	0	0	111.9	L181 S182 Q188 R189	L181-Q185 VanDerWaalsContact O-CB 3.25Å; L181-Q185 WeakPolarHBondContact O-CB 3.37Å; L181-Q185 PolarHBondContact O-N 2.84Å; S182-Q185 PolarHBondContact O-N 3.45Å; Q185-Q188 CarbonylContact O-C 3.59Å; Q185-R189 WeakPolarHBondContact O-CG 3.42Å; Q185-R189 PolarHBondContact O-N 3.36Å; Q185-R189 VanDerWaalsContact O-N 3.11Å
186	E	55.3	Low	60.4	Low	142 Å²	142	128.3 Å²	128.3	66%	0.664	64%	0.642	S	S	*	*	H	α-helix	trans	-72.8	-38	172.3	-171.3	166.5	-167.2	0	0	111.7	S182 T183 Q188 R189	S182-E186 VanDerWaalsContact O-CB 3.29Å; S182-E186 WeakPolarHBondContact O-CB 3.43Å; S182-E186 PolarHBondContact O-N 3.05Å; T183-E186 PolarHBondContact O-N 3.49Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 2.97Å; E186-R189 PolarHBondContact O-N 2.97Å
187	T	54	Low	58.5	Low	114 Å²	114	131.8 Å²	131.8	70%	0.699	66%	0.657	S	S	*	*	H	α-helix	trans	-74.6	-21.5	174.8	-39.7	0	0	0	0	112.6	T183 K184	T183-T187 WeakPolarHBondContact O-CB 3.47Å; T183-T187 PolarHBondContact O-N 2.99Å; T183-T187 PolarHBondContact O-OG1 3.3Å; K184-T187 PolarHBondContact O-N 3.35Å
188	Q	49.5	Very low	56.8	Low	158 Å²	158	135.1 Å²	135.1	74%	0.738	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	22.9	174.3	-67.9	-170.3	33.6	0	0	113.5	K184 Q185 E186 P190	K184-Q188 WeakPolarHBondContact O-CB 3.38Å; K184-Q188 WeakPolarHBondContact O-CG 3.36Å; K184-Q188 PolarHBondContact O-N 2.88Å; Q185-Q188 CarbonylContact O-C 3.59Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 2.97Å; Q188-P190 VanDerWaalsContact C-CD 3.41Å; Q188-P190 WeakPolarHBondContact O-CD 3.39Å
189	R	40.8	Very low	55.2	Low	205 Å²	205	135.6 Å²	135.6	77%	0.774	67%	0.671	S	S	*	*			trans	-84.3	95.1	158.3	-86.4	-175.1	-177.5	-166.1	1.5	108.3	Q185 E186 N191	Q185-R189 WeakPolarHBondContact O-CG 3.42Å; Q185-R189 PolarHBondContact O-N 3.36Å; Q185-R189 VanDerWaalsContact O-N 3.11Å; E186-R189 PolarHBondContact O-N 2.97Å; R189-N191 PolarHBondContact O-N 3.34Å
190	P	44.9	Very low	53.2	Low	89 Å²	89	137.7 Å²	137.7	58%	0.578	68%	0.682	S	S	*	*			trans	-62.9	126.4	160.2	28.6	-33.7	0	0	0	107.4	Q188 I192	Q188-P190 VanDerWaalsContact C-CD 3.41Å; Q188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-I192 HydrophobicContact CB-CD1 4.14Å; P190-I192 HydrophobicContact CB-CG1 3.72Å; P190-I192 HydrophobicContact CG-CD1 3.62Å; P190-I192 HydrophobicContact CG-CG1 3.72Å; P190-I192 PolarHBondContact O-N 3.49Å
191	N	40	Very low	51.2	Low	126 Å²	126	141.5 Å²	141.5	67%	0.674	70%	0.695	S	S	*	*			trans	-60.8	88.8	158.3	-175.4	-29.3	0	0	0	107.2	R189 E193	R189-N191 PolarHBondContact O-N 3.34Å; N191-E193 VanDerWaalsContact C-N 3.27Å; N191-E193 PolarHBondContact O-N 3.21Å; N191-E193 PolarHBondContact OD1-N 2.98Å
192	I	47.1	Very low	49.5	Very low	124 Å²	124	142.6 Å²	142.6	64%	0.636	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	55	171.1	-53.1	175.7	0	0	0	107.8	P190	P190-I192 HydrophobicContact CB-CD1 4.14Å; P190-I192 HydrophobicContact CB-CG1 3.72Å; P190-I192 HydrophobicContact CG-CD1 3.62Å; P190-I192 HydrophobicContact CG-CG1 3.72Å; P190-I192 PolarHBondContact O-N 3.49Å
193	E	47.5	Very low	47.9	Very low	182 Å²	182	144.1 Å²	144.1	85%	0.85	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-9	159.1	-137.5	172	-173.4	0	0	113.9	N191	N191-E193 VanDerWaalsContact C-N 3.27Å; N191-E193 PolarHBondContact O-N 3.21Å; N191-E193 PolarHBondContact OD1-N 2.98Å
194	E	46.8	Very low	46.6	Very low	178 Å²	178	150.8 Å²	150.8	83%	0.832	74%	0.735	S	S	*	*	S	Bend	trans	-114.4	1.1	174.5	-77.7	-167.4	150.6	0	0	116.3
195	A	46	Very low	45	Very low	77 Å²	77	152 Å²	152	64%	0.636	74%	0.744	S	S	*	*	S	Bend	trans	-99.3	-0.6	-173.3	0	0	0	0	0	116.5
196	K	47.7	Very low	43.8	Very low	184 Å²	184	151.3 Å²	151.3	80%	0.8	75%	0.754	S	S	*	*	S	Bend	trans	-143	50.3	-179.7	-66.5	-169.2	-178.6	177.9	0	115.9
197	K	42.5	Very low	43.2	Very low	194 Å²	194	152.9 Å²	152.9	84%	0.843	76%	0.759	S	S	*	*	S	Bend	trans	-129.6	86	137	-69.6	-178.1	-175.5	170.3	0	105.3
198	K	42.5	Very low	42.6	Very low	181 Å²	181	153.4 Å²	153.4	79%	0.787	76%	0.762	S	S	*	*				59.3	109.2	107.7	-68.2	-177.6	-179	-175.1	0	110.6
199	E	48.9	Very low	41.9	Very low	173 Å²	173	154.9 Å²	154.9	81%	0.808	77%	0.766	S	S	*	*			trans	38.5	99.1	132.1	-61.7	174.8	156.6	0	0	114.1
200	L	39.4	Very low	42	Very low	162 Å²	162	153.1 Å²	153.1	85%	0.848	77%	0.771	S	S	*	*			trans	-176.4	112.1	135.6	-97.9	141.6	0	0	0	110.1
201	K	38.5	Very low	41.3	Very low	172 Å²	172	154.4 Å²	154.4	75%	0.748	78%	0.781	S	S	*	*			trans	73.2	86.6	140.5	-118.3	165.3	178.4	174.6	0	116.8	S203	K201-S203 PolarHBondContact O-N 3.47Å
202	V	41.1	Very low	41.1	Very low	144 Å²	144	157.3 Å²	157.3	87%	0.873	79%	0.79	S	S	*	*			trans	-51.5	113.6	134.7	176.8	0	0	0	0	108.1
203	S	36.6	Very low	40.3	Very low	95 Å²	95	160.2 Å²	160.2	66%	0.664	80%	0.798	S	S	*	*			trans	-141.1	86.2	155.8	52.3	0	0	0	0	109.8	K201	K201-S203 PolarHBondContact O-N 3.47Å
204	Y	42	Very low	40.2	Very low	213 Å²	213	156.9 Å²	156.9	84%	0.835	79%	0.792	S	S	*	*			trans	-38	124.2	137.2	175.5	-102.2	0	0	0	110.4
205	M	37	Very low	39.5	Very low	145 Å²	145	157.6 Å²	157.6	71%	0.714	79%	0.793	S	S	*	*			trans	150.5	94.9	150.4	-83.3	-172.3	74.6	0	0	109.9
206	S	31	Very low	38.7	Very low	120 Å²	120	162.2 Å²	162.2	84%	0.839	80%	0.801	S	S	*	*			trans	-100.1	103.7	157.5	-175.4	0	0	0	0	107.9
207	K	44	Very low	37.8	Very low	174 Å²	174	161.7 Å²	161.7	76%	0.757	81%	0.807	S	S	*	*			trans	-126.9	126.5	158.7	-80	-171.1	179.1	179.5	0	107.7
208	V	40.3	Very low	37.2	Very low	125 Å²	125	157.1 Å²	157.1	76%	0.758	80%	0.799	S	S	*	*			trans	-64.3	130.3	-179.4	-175.6	0	0	0	0	110.6
209	F	35.5	Very low	36.9	Very low	190 Å²	190	157.2 Å²	157.2	83%	0.833	80%	0.802	S	S	*	*			trans	-146.7	117.9	151.9	-79.6	-72.4	0	0	0	111.4
210	L	42.7	Very low	36	Very low	167 Å²	167	159 Å²	159	87%	0.874	81%	0.808	S	S	*	*			trans	-68.7	115.1	164.3	-170.6	76.5	0	0	0	108.4
211	C	30.5	Very low	35.8	Very low	116 Å²	116	156.6 Å²	156.6	78%	0.784	80%	0.804	S	S	*	*			trans	-128.5	99.4	163.6	-89.7	0	0	0	0	110.2	K213	C211-K213 PolarHBondContact O-N 2.88Å
212	Q	34.9	Very low	35.4	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.874	80%	0.801	S	S	*	*			trans	-40.7	120.8	155.4	-164.3	175.4	61.3	0	0	110.2
213	K	31.6	Very low	34.9	Very low	185 Å²	185	151.4 Å²	151.4	80%	0.804	80%	0.801	S	S	*	*			trans	-107.6	116.3	163.4	-79.8	-166.6	177.3	175.2	0	108.9	C211	C211-K213 PolarHBondContact O-N 2.88Å
214	P	43.7	Very low	34.7	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	81%	0.811	S	S	*	*			trans	-77.7	128.6	162.2	31.3	-26.7	0	0	0	107.8
215	K	33.2	Very low	34.3	Very low	194 Å²	194	144.9 Å²	144.9	84%	0.843	80%	0.804	S	S	*	*			trans	-128.2	108.6	159.2	-78.9	-160.3	173.7	-172.2	0	109.2
216	H	29	Very low	34	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.806	81%	0.808	S	S	*	*			trans	-52	140.1	159.7	-86.9	-100.4	0	0	0	111.1
217	N	28.6	Very low	34	Very low	173 Å²	173	147.6 Å²	147.6	93%	0.925	80%	0.801	S	S	*	*			trans	-135.5	98.7	146.5	-138.1	13.2	0	0	0	106.1
218	S	30.7	Very low	33.5	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	80%	0.796	S	S	*	*			trans	-86.1	119.6	177.8	61	0	0	0	0	110.3
219	Q	35.5	Very low	33.1	Very low	182 Å²	182	144.9 Å²	144.9	85%	0.85	80%	0.8	S	S	*	*				16.5	121.9	125.2	-129.8	161.8	-47.2	0	0	117.1
220	K	30.4	Very low	33.2	Very low	211 Å²	211	141 Å²	141	92%	0.917	80%	0.796	S	S	*	*			trans	-75	126	161.9	-71.2	178.5	175.6	179.2	0	109.7
221	S	34.2	Very low	33.1	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	79%	0.789	S	S	*	*			trans	-161.8	125.7	146.5	56.3	0	0	0	0	110.4
222	G	31.5	Very low	33.3	Very low	67 Å²	67	141.6 Å²	141.6	69%	0.691	79%	0.793	S	S	*	*			trans	69.1	107.5	140.6	0	0	0	0	0	120.1
223	T	31.1	Very low	33.6	Very low	140 Å²	140	139.4 Å²	139.4	86%	0.859	79%	0.787	S	S	*	*				69.3	107.1	123	-40.6	0	0	0	0	120.4
224	A	32.2	Very low	34	Very low	105 Å²	105	139.2 Å²	139.2	87%	0.868	79%	0.789	S	S	*	*			trans	45.6	133.8	133.6	0	0	0	0	0	122.7
225	G	33.9	Very low	33.9	Very low	67 Å²	67	145.1 Å²	145.1	69%	0.691	80%	0.797	S	S	*	*			trans	127	98.8	167.4	0	0	0	0	0	110.3
226	Q	29.4	Very low	34.3	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	79%	0.791	S	S	*	*				53.8	117.9	82.4	-149.2	176.3	10.9	0	0	109.2
227	E	31.2	Very low	35.2	Very low	148 Å²	148	143.8 Å²	143.8	69%	0.692	80%	0.795	S	S	*	*			cis	-177.8	165.9	25	-126.8	171.4	-145	0	0	107.1
228	V	33	Very low	35.8	Very low	106 Å²	106	141 Å²	141	64%	0.642	79%	0.79	S	S	*	*			trans	82.7	126	140.1	174.4	0	0	0	0	120.9
229	T	32.9	Very low	36.4	Very low	137 Å²	137	141.5 Å²	141.5	84%	0.84	79%	0.793	S	S	*	*			trans	73.8	147.8	150.9	58.7	0	0	0	0	119.8
230	S	36.6	Very low	36.8	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	79%	0.793	S	S	*	*			cis	-157.7	145.2	3.8	-176.2	0	0	0	0	108.8
231	V	40.9	Very low	37.2	Very low	123 Å²	123	141.2 Å²	141.2	75%	0.745	79%	0.785	S	S	*	*			trans	-64.1	141.6	159	170.9	0	0	0	0	109.7
232	M	35	Very low	37.5	Very low	173 Å²	173	140.7 Å²	140.7	85%	0.852	78%	0.782	S	S	*	*			trans	-152.3	93.1	149.6	-156.5	81.3	105.6	0	0	110.9
233	N	40.9	Very low	38.1	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	79%	0.787	S	S	*	*			trans	-73.4	136.1	147.5	-110	-20	0	0	0	107
234	Q	39.3	Very low	38.5	Very low	182 Å²	182	142.5 Å²	142.5	85%	0.85	77%	0.771	S	S	*	*			trans	-176.1	134.6	133	-101	168.1	63.3	0	0	113.7
235	R	42.3	Very low	39.4	Very low	235 Å²	235	143.4 Å²	143.4	89%	0.887	77%	0.771	S	S	*	*			trans	-51.9	146.3	160.9	-73.8	167.8	164.1	169	-5.5	111.2
236	S	42	Very low	40.3	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	77%	0.767	S	S	*	*				163.8	130.7	108.2	-72.4	0	0	0	0	114.2
237	R	47.2	Very low	41.4	Very low	237 Å²	237	144.5 Å²	144.5	89%	0.894	76%	0.758	S	S	*	*			trans	41.2	123	136.1	-69.8	179	138	97	-0.7	121.4
238	S	41.2	Very low	42.6	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	75%	0.749	S	S	*	*				175.2	121.4	111.9	-85.9	0	0	0	0	110
239	S	43.8	Very low	44	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	75%	0.746	S	S	*	*				98	113.9	86.2	-173.5	0	0	0	0	112.3
240	R	43.2	Very low	45.9	Very low	224 Å²	224	138.7 Å²	138.7	85%	0.845	73%	0.729	S	S	*	*			trans	-178.6	103	140.4	-93.7	160.8	-163.4	-119.9	6.1	107.2
241	Q	39.8	Very low	47.6	Very low	163 Å²	163	140.7 Å²	140.7	76%	0.762	73%	0.725	S	S	*	*				85.4	92.5	92.9	-157.7	162.7	2.5	0	0	110.4
242	S	40.4	Very low	49.5	Very low	100 Å²	100	140 Å²	140	70%	0.699	72%	0.716	S	S	*	*				52.2	120.7	113.6	70.6	0	0	0	0	112.9
243	V	44.2	Very low	51.8	Low	131 Å²	131	138 Å²	138	79%	0.794	71%	0.705	S	S	*	*				-175.5	130.5	59.6	-179.8	0	0	0	0	102.8
244	E	40.2	Very low	53.9	Low	113 Å²	113	133.7 Å²	133.7	53%	0.528	69%	0.689	S	S	.	*				-180	127.7	103.8	-99	-164.6	135.9	0	0	109	E247	E244-E247 HydrophobicContact CB-CB 4.32Å; E244-E247 VanDerWaalsContact OE2-CB 3.3Å; E244-E247 WeakPolarHBondContact OE2-CB 3.34Å; E244-E247 WeakPolarHBondContact OE2-CG 3.46Å; E244-E247 VanDerWaalsContact OE2-OE2 3.06Å
245	S	50.6	Low	56.1	Low	124 Å²	124	130.3 Å²	130.3	87%	0.867	67%	0.673	S	S	*	*	S	Bend	trans	-108.2	20.8	168.7	-159.6	0	0	0	0	111.3
246	E	51.7	Low	58.5	Low	132 Å²	132	124.6 Å²	124.6	62%	0.617	66%	0.657	S	S	*	*	S	Bend	trans	-114	-17.1	175.2	-81.6	-121.8	109.3	0	0	113.9	A248 K249	E246-A248 PolarHBondContact O-N 3.44Å; E246-K249 IonicContact OE1-NZ 3.08Å; E246-K249 PolarHBondContact OE1-NZ 3.4Å; E246-K249 VanDerWaalsContact OE1-NZ 3.08Å
247	E	52.9	Low	60.9	Low	132 Å²	132	127.9 Å²	127.9	62%	0.617	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-7.2	-179.5	-116.5	-176.6	-179.9	0	0	114.9	E244 P250	E244-E247 HydrophobicContact CB-CB 4.32Å; E244-E247 VanDerWaalsContact OE2-CB 3.3Å; E244-E247 WeakPolarHBondContact OE2-CB 3.34Å; E244-E247 WeakPolarHBondContact OE2-CG 3.46Å; E244-E247 VanDerWaalsContact OE2-OE2 3.06Å; E247-P250 VanDerWaalsContact O-CD 3.22Å; E247-P250 WeakPolarHBondContact O-CD 3.34Å; E247-P250 WeakPolarHBondContact O-CG 3.49Å
248	A	57.3	Low	63.1	Low	61 Å²	61	122.2 Å²	122.2	50%	0.504	64%	0.64	S	S	.	*	H	α-helix	trans	-75.5	-24	-179	0	0	0	0	0	113.7	E246 L252	E246-A248 PolarHBondContact O-N 3.44Å; A248-L252 WeakPolarHBondContact O-CG 3.49Å; A248-L252 PolarHBondContact O-N 3.38Å; A248-L252 VanDerWaalsContact O-N 3.13Å
249	K	62.8	Low	65.6	Low	134 Å²	134	120.8 Å²	120.8	58%	0.583	62%	0.62	S	S	*	*	H	α-helix	trans	-63.8	-49.3	178.3	-65.1	170.4	-173.7	161.6	0	112.7	E246 F251 L252 E253	E246-K249 IonicContact OE1-NZ 3.08Å; E246-K249 PolarHBondContact OE1-NZ 3.4Å; E246-K249 VanDerWaalsContact OE1-NZ 3.08Å; K249-F251 VanDerWaalsContact C-N 3.31Å; K249-F251 PolarHBondContact O-N 2.9Å; K249-L252 PolarHBondContact O-N 3.24Å; K249-E253 WeakPolarHBondContact O-CB 3.26Å; K249-E253 PolarHBondContact O-N 2.93Å
250	P	72.3	Confident	68	Low	74 Å²	74	121.6 Å²	121.6	48%	0.481	61%	0.607	S	S	.	*	H	α-helix	trans	-67.1	-28.8	177.8	24	-34.4	0	0	0	113.4	E247 A254	E247-P250 VanDerWaalsContact O-CD 3.22Å; E247-P250 WeakPolarHBondContact O-CD 3.34Å; E247-P250 WeakPolarHBondContact O-CG 3.49Å; P250-A254 WeakPolarHBondContact O-CB 3.42Å; P250-A254 PolarHBondContact O-N 2.98Å
251	F	72.7	Confident	70.4	Confident	148 Å²	148	115.7 Å²	115.7	65%	0.649	59%	0.591	S	S	*	*	H	α-helix	trans	-69.2	-45	175.1	-170.7	-92.2	0	0	0	112.1	K249 E253 A254 E255	K249-F251 VanDerWaalsContact C-N 3.31Å; K249-F251 PolarHBondContact O-N 2.9Å; F251-E253 VanDerWaalsContact C-N 3.31Å; F251-E253 PolarHBondContact O-N 3.39Å; F251-A254 PolarHBondContact O-N 2.86Å; F251-E255 WeakPolarHBondContact O-CB 3.35Å; F251-E255 PolarHBondContact O-N 2.74Å
252	L	80.1	Confident	73.1	Confident	109 Å²	109	116.1 Å²	116.1	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-64.5	-35.4	174.8	-69.5	169.6	0	0	0	112.1	A248 K249 E255 Q256	A248-L252 WeakPolarHBondContact O-CG 3.49Å; A248-L252 PolarHBondContact O-N 3.38Å; A248-L252 VanDerWaalsContact O-N 3.13Å; K249-L252 PolarHBondContact O-N 3.24Å; L252-E255 PolarHBondContact O-N 3.21Å; L252-Q256 WeakPolarHBondContact O-CB 3.47Å; L252-Q256 PolarHBondContact O-N 3.47Å
253	E	82.6	Confident	75.7	Confident	131 Å²	131	116.4 Å²	116.4	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-68	-40.5	174.7	-171.1	178.3	173.6	0	0	112.1	K249 F251 Q256 R257	K249-E253 WeakPolarHBondContact O-CB 3.26Å; K249-E253 PolarHBondContact O-N 2.93Å; F251-E253 VanDerWaalsContact C-N 3.31Å; F251-E253 PolarHBondContact O-N 3.39Å; E253-Q256 PolarHBondContact O-N 3.14Å; E253-R257 WeakPolarHBondContact O-CB 3.35Å; E253-R257 PolarHBondContact O-N 2.86Å
254	A	85.8	Confident	78.2	Confident	51 Å²	51	112.2 Å²	112.2	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-40.7	173.9	0	0	0	0	0	111.9	P250 F251 R257 L258	P250-A254 WeakPolarHBondContact O-CB 3.42Å; P250-A254 PolarHBondContact O-N 2.98Å; F251-A254 PolarHBondContact O-N 2.86Å; A254-R257 PolarHBondContact O-N 2.89Å; A254-L258 WeakPolarHBondContact O-CG 3.42Å; A254-L258 PolarHBondContact O-N 2.7Å
255	E	85.4	Confident	81	Confident	111 Å²	111	111.7 Å²	111.7	52%	0.519	55%	0.553	S	S	.	*	H	α-helix	trans	-64.2	-44.5	175.6	-172.1	169.6	-163.2	0	0	111.6	F251 L252 R257 L258 E259	F251-E255 WeakPolarHBondContact O-CB 3.35Å; F251-E255 PolarHBondContact O-N 2.74Å; L252-E255 PolarHBondContact O-N 3.21Å; E255-R257 VanDerWaalsContact C-N 3.26Å; E255-R257 PolarHBondContact O-N 3.26Å; E255-L258 PolarHBondContact O-N 3.35Å; E255-E259 PolarHBondContact O-N 3.34Å
256	Q	92.6	Very high	83.1	Confident	115 Å²	115	111.9 Å²	111.9	54%	0.537	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-34.2	174.9	-164.7	-172.2	60.8	0	0	112.3	L252 E253 R260	L252-Q256 WeakPolarHBondContact O-CB 3.47Å; L252-Q256 PolarHBondContact O-N 3.47Å; E253-Q256 PolarHBondContact O-N 3.14Å; Q256-R260 WeakPolarHBondContact O-CG 3.48Å; Q256-R260 PolarHBondContact O-N 3.07Å; Q256-R260 PolarHBondContact O-NE 3.47Å
257	R	92.6	Very high	85.3	Confident	171 Å²	171	111.9 Å²	111.9	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-69.9	-37.9	175.8	-172.2	174.9	178.4	162.2	-1.3	112.1	E253 A254 E255 R260 I261	E253-R257 WeakPolarHBondContact O-CB 3.35Å; E253-R257 PolarHBondContact O-N 2.86Å; A254-R257 PolarHBondContact O-N 2.89Å; E255-R257 VanDerWaalsContact C-N 3.26Å; E255-R257 PolarHBondContact O-N 3.26Å; R257-R260 PolarHBondContact O-N 3.31Å; R257-I261 HydrophobicContact CG-CD1 4.48Å; R257-I261 VanDerWaalsContact O-CG1 3.29Å; R257-I261 WeakPolarHBondContact O-CG1 3.31Å; R257-I261 PolarHBondContact O-N 3.07Å
258	L	94.2	Very high	87.4	Confident	118 Å²	118	111 Å²	111	62%	0.618	53%	0.534	S	S	*	.	H	α-helix	trans	-67.5	-40.4	174.4	-72.3	171.6	0	0	0	111.8	A254 E255 R260 I261 R262	A254-L258 WeakPolarHBondContact O-CG 3.42Å; A254-L258 PolarHBondContact O-N 2.7Å; E255-L258 PolarHBondContact O-N 3.35Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-R260 PolarHBondContact O-N 3.34Å; L258-I261 WeakPolarHBondContact O-CB 3.39Å; L258-I261 PolarHBondContact O-N 3.45Å; L258-I261 VanDerWaalsContact O-N 3.14Å; L258-R262 PolarHBondContact O-N 3.02Å
259	E	92	Very high	89.1	Confident	86 Å²	86	113.2 Å²	113.2	40%	0.402	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-39.6	175.7	-169.8	56.5	-144.7	0	0	111.3	E255 I261 R262 Q263	E255-E259 PolarHBondContact O-N 3.34Å; E259-I261 VanDerWaalsContact C-N 3.33Å; E259-I261 PolarHBondContact O-N 3.43Å; E259-R262 PolarHBondContact O-N 2.94Å; E259-Q263 WeakPolarHBondContact O-CG 3.09Å; E259-Q263 PolarHBondContact O-N 3.26Å; E259-Q263 PolarHBondContact OE1-NE2 2.87Å
260	R	94.3	Very high	90.6	Very high	126 Å²	126	109.8 Å²	109.8	48%	0.475	53%	0.527	S	S	.	.	H	α-helix	trans	-60.6	-39.1	171	-77.4	-175.9	-107.5	140.5	-8.3	112.9	Q256 R257 L258 S264	Q256-R260 WeakPolarHBondContact O-CG 3.48Å; Q256-R260 PolarHBondContact O-N 3.07Å; Q256-R260 PolarHBondContact O-NE 3.47Å; R257-R260 PolarHBondContact O-N 3.31Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-R260 PolarHBondContact O-N 3.34Å; R260-S264 VanDerWaalsContact O-CB 3.25Å; R260-S264 WeakPolarHBondContact O-CB 3.44Å; R260-S264 PolarHBondContact O-N 2.83Å
261	I	95.1	Very high	91.8	Very high	100 Å²	100	111.4 Å²	111.4	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-41.1	175.9	-68.9	163.3	0	0	0	110.6	R257 L258 E259 S264 L265	R257-I261 HydrophobicContact CG-CD1 4.48Å; R257-I261 VanDerWaalsContact O-CG1 3.29Å; R257-I261 WeakPolarHBondContact O-CG1 3.31Å; R257-I261 PolarHBondContact O-N 3.07Å; L258-I261 WeakPolarHBondContact O-CB 3.39Å; L258-I261 PolarHBondContact O-N 3.45Å; L258-I261 VanDerWaalsContact O-N 3.14Å; E259-I261 VanDerWaalsContact C-N 3.33Å; E259-I261 PolarHBondContact O-N 3.43Å; I261-S264 PolarHBondContact O-N 3.36Å; I261-L265 PolarHBondContact O-N 2.83Å
262	R	95.5	Very high	92.9	Very high	171 Å²	171	110.1 Å²	110.1	65%	0.645	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-46.9	178	-171.1	-178.5	-177.3	176.5	0.1	111.9	L258 E259 S264 L265 Q266	L258-R262 PolarHBondContact O-N 3.02Å; E259-R262 PolarHBondContact O-N 2.94Å; R262-S264 VanDerWaalsContact C-N 3.34Å; R262-L265 PolarHBondContact O-N 2.91Å; R262-Q266 PolarHBondContact O-N 3.49Å
263	Q	96.1	Very high	93.7	Very high	106 Å²	106	109.7 Å²	109.7	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.3	-70.2	175.9	5.8	0	0	111.3	E259 L265 Q266 E267	E259-Q263 WeakPolarHBondContact O-CG 3.09Å; E259-Q263 PolarHBondContact O-N 3.26Å; E259-Q263 PolarHBondContact OE1-NE2 2.87Å; Q263-L265 VanDerWaalsContact C-N 3.32Å; Q263-L265 PolarHBondContact O-N 2.91Å; Q263-Q266 PolarHBondContact O-N 3.45Å; Q263-E267 WeakPolarHBondContact O-CB 3.31Å; Q263-E267 PolarHBondContact O-N 3.33Å
264	S	96.6	Very high	94.3	Very high	43 Å²	43	109.2 Å²	109.2	30%	0.301	52%	0.519	S	S	.	.	H	α-helix	trans	-62.7	-36.7	176.1	-178.2	0	0	0	0	112.9	R260 I261 R262 K268	R260-S264 VanDerWaalsContact O-CB 3.25Å; R260-S264 WeakPolarHBondContact O-CB 3.44Å; R260-S264 PolarHBondContact O-N 2.83Å; I261-S264 PolarHBondContact O-N 3.36Å; R262-S264 VanDerWaalsContact C-N 3.34Å; S264-K268 WeakPolarHBondContact O-CB 3.43Å; S264-K268 VanDerWaalsContact O-CG 3.23Å; S264-K268 WeakPolarHBondContact O-CG 3.33Å; S264-K268 PolarHBondContact O-N 3.44Å
265	L	97.1	Very high	94.9	Very high	102 Å²	102	111 Å²	111	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-47.1	175.3	-169.6	79.1	0	0	0	110.9	I261 R262 Q263 E267 K268 E269	I261-L265 PolarHBondContact O-N 2.83Å; R262-L265 PolarHBondContact O-N 2.91Å; Q263-L265 VanDerWaalsContact C-N 3.32Å; Q263-L265 PolarHBondContact O-N 2.91Å; L265-E267 VanDerWaalsContact C-N 3.33Å; L265-E267 PolarHBondContact O-N 2.91Å; L265-K268 WeakPolarHBondContact O-CB 3.34Å; L265-K268 PolarHBondContact O-N 3.4Å; L265-E269 WeakPolarHBondContact O-CG 3.32Å; L265-E269 PolarHBondContact O-N 2.87Å
266	Q	96.7	Very high	95.4	Very high	128 Å²	128	109.6 Å²	109.6	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-39	178.5	-176	178.7	-16.3	0	0	112.1	R262 Q263 E269 S270	R262-Q266 PolarHBondContact O-N 3.49Å; Q263-Q266 PolarHBondContact O-N 3.45Å; Q266-E269 PolarHBondContact O-N 3.25Å; Q266-S270 WeakPolarHBondContact O-CB 3.43Å; Q266-S270 PolarHBondContact O-N 2.93Å; Q266-S270 PolarHBondContact O-OG 3.44Å
267	E	96.4	Very high	95.7	Very high	133 Å²	133	111 Å²	111	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-63.3	-44.6	174.6	-173.7	178.8	-168.5	0	0	110.9	Q263 L265 S270 Q271	Q263-E267 WeakPolarHBondContact O-CB 3.31Å; Q263-E267 PolarHBondContact O-N 3.33Å; L265-E267 VanDerWaalsContact C-N 3.33Å; L265-E267 PolarHBondContact O-N 2.91Å; E267-S270 WeakPolarHBondContact CA-OG 3.31Å; E267-S270 PolarHBondContact O-N 3.49Å; E267-S270 PolarHBondContact O-OG 3.49Å; E267-Q271 WeakPolarHBondContact O-CB 3.31Å; E267-Q271 PolarHBondContact O-N 3.33Å
268	K	96.6	Very high	95.9	Very high	114 Å²	114	107.9 Å²	107.9	50%	0.496	51%	0.507	S	S	.	.	H	α-helix	trans	-61.9	-44.4	174.8	-74.9	170.7	-177.7	173.8	0	112.3	S264 L265 S270 Q271 E272	S264-K268 WeakPolarHBondContact O-CB 3.43Å; S264-K268 VanDerWaalsContact O-CG 3.23Å; S264-K268 WeakPolarHBondContact O-CG 3.33Å; S264-K268 PolarHBondContact O-N 3.44Å; L265-K268 WeakPolarHBondContact O-CB 3.34Å; L265-K268 PolarHBondContact O-N 3.4Å; K268-S270 VanDerWaalsContact C-N 3.3Å; K268-S270 PolarHBondContact O-N 3.04Å; K268-Q271 PolarHBondContact O-N 2.89Å; K268-E272 WeakPolarHBondContact O-CB 3.45Å; K268-E272 WeakPolarHBondContact O-CG 3.46Å; K268-E272 PolarHBondContact O-N 3.26Å
269	E	93.4	Very high	96	Very high	107 Å²	107	109.2 Å²	109.2	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-41.6	174.4	-73.9	176.8	179.6	0	0	111.2	L265 Q266 E272 L273	L265-E269 WeakPolarHBondContact O-CG 3.32Å; L265-E269 PolarHBondContact O-N 2.87Å; Q266-E269 PolarHBondContact O-N 3.25Å; E269-E272 PolarHBondContact O-N 2.93Å; E269-L273 VanDerWaalsContact O-CG 3.31Å; E269-L273 WeakPolarHBondContact O-CG 3.4Å; E269-L273 PolarHBondContact O-N 3.44Å
270	S	95.8	Very high	96.3	Very high	61 Å²	61	110.6 Å²	110.6	43%	0.427	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-38.9	176.8	76.6	0	0	0	0	112.7	Q266 E267 K268 L273 E274	Q266-S270 WeakPolarHBondContact O-CB 3.43Å; Q266-S270 PolarHBondContact O-N 2.93Å; Q266-S270 PolarHBondContact O-OG 3.44Å; E267-S270 WeakPolarHBondContact CA-OG 3.31Å; E267-S270 PolarHBondContact O-N 3.49Å; E267-S270 PolarHBondContact O-OG 3.49Å; K268-S270 VanDerWaalsContact C-N 3.3Å; K268-S270 PolarHBondContact O-N 3.04Å; S270-L273 PolarHBondContact O-N 3.31Å; S270-E274 PolarHBondContact O-N 3.12Å
271	Q	96.8	Very high	96.4	Very high	109 Å²	109	110.7 Å²	110.7	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-68.2	-39.9	177.1	-169.2	-178	29.3	0	0	111.2	E267 K268 E274 Q275	E267-Q271 WeakPolarHBondContact O-CB 3.31Å; E267-Q271 PolarHBondContact O-N 3.33Å; K268-Q271 PolarHBondContact O-N 2.89Å; Q271-E274 PolarHBondContact O-N 2.97Å; Q271-Q275 WeakPolarHBondContact O-CG 3.27Å; Q271-Q275 PolarHBondContact O-N 2.74Å
272	E	96	Very high	96.5	Very high	120 Å²	120	110.3 Å²	110.3	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-64.3	-42	174.6	-76	-177.8	-175	0	0	111.5	K268 E269 E274 Q275 I276	K268-E272 WeakPolarHBondContact O-CB 3.45Å; K268-E272 WeakPolarHBondContact O-CG 3.46Å; K268-E272 PolarHBondContact O-N 3.26Å; E269-E272 PolarHBondContact O-N 2.93Å; E272-E274 VanDerWaalsContact C-N 3.33Å; E272-E274 PolarHBondContact O-N 3.47Å; E272-Q275 PolarHBondContact O-N 3.05Å; E272-I276 VanDerWaalsContact O-CG1 3.29Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 2.84Å
273	L	95.9	Very high	96.5	Very high	100 Å²	100	104.9 Å²	104.9	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-41.3	175	-73.6	172.4	0	0	0	112	E269 S270 I276 R277	E269-L273 VanDerWaalsContact O-CG 3.31Å; E269-L273 WeakPolarHBondContact O-CG 3.4Å; E269-L273 PolarHBondContact O-N 3.44Å; S270-L273 PolarHBondContact O-N 3.31Å; L273-I276 PolarHBondContact O-N 3.43Å; L273-R277 WeakPolarHBondContact O-CG 3.32Å; L273-R277 PolarHBondContact O-N 3.44Å
274	E	96.1	Very high	96.5	Very high	121 Å²	121	105.7 Å²	105.7	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-65.7	-40.8	176.1	-170	167.6	-150.5	0	0	112.1	S270 Q271 E272 I276 R277 H278	S270-E274 PolarHBondContact O-N 3.12Å; Q271-E274 PolarHBondContact O-N 2.97Å; E272-E274 VanDerWaalsContact C-N 3.33Å; E272-E274 PolarHBondContact O-N 3.47Å; E274-I276 VanDerWaalsContact C-N 3.31Å; E274-I276 PolarHBondContact O-N 2.95Å; E274-R277 PolarHBondContact O-N 3.27Å; E274-H278 PolarHBondContact O-N 2.85Å
275	Q	97.4	Very high	96.5	Very high	89 Å²	89	109.1 Å²	109.1	42%	0.416	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-34.4	173.5	-72.5	176.6	33.1	0	0	113.1	Q271 E272 R279	Q271-Q275 WeakPolarHBondContact O-CG 3.27Å; Q271-Q275 PolarHBondContact O-N 2.74Å; E272-Q275 PolarHBondContact O-N 3.05Å; Q275-R279 WeakPolarHBondContact O-CB 3.39Å; Q275-R279 WeakPolarHBondContact O-CG 3.29Å; Q275-R279 PolarHBondContact O-N 3.38Å; Q275-R279 PolarHBondContact O-NE 2.99Å
276	I	97.1	Very high	96.5	Very high	81 Å²	81	110.2 Å²	110.2	42%	0.415	52%	0.52	S	S	.	.	H	α-helix	trans	-68.5	-44.5	174.7	-68.7	164.7	0	0	0	109.8	E272 L273 E274 H278 R279 Q280	E272-I276 VanDerWaalsContact O-CG1 3.29Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 2.84Å; L273-I276 PolarHBondContact O-N 3.43Å; E274-I276 VanDerWaalsContact C-N 3.31Å; E274-I276 PolarHBondContact O-N 2.95Å; I276-H278 VanDerWaalsContact C-N 3.35Å; I276-H278 PolarHBondContact O-N 3.26Å; I276-R279 PolarHBondContact O-N 2.95Å; I276-Q280 WeakPolarHBondContact O-CG 3.36Å; I276-Q280 PolarHBondContact O-N 2.88Å
277	R	97.3	Very high	96.4	Very high	144 Å²	144	108.8 Å²	108.8	54%	0.543	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-43.4	175.2	-72.6	-166.2	-58.8	-93.5	0.5	112.1	L273 E274 Q280 F281	L273-R277 WeakPolarHBondContact O-CG 3.32Å; L273-R277 PolarHBondContact O-N 3.44Å; E274-R277 PolarHBondContact O-N 3.27Å; R277-Q280 PolarHBondContact O-N 3.28Å; R277-F281 PolarHBondContact O-N 3.46Å
278	H	97.4	Very high	96.4	Very high	107 Å²	107	108.8 Å²	108.8	50%	0.495	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-47.3	176.6	-170	-87.4	0	0	0	111.5	E274 I276 Q280 F281 E282	E274-H278 PolarHBondContact O-N 2.85Å; I276-H278 VanDerWaalsContact C-N 3.35Å; I276-H278 PolarHBondContact O-N 3.26Å; H278-Q280 VanDerWaalsContact C-N 3.32Å; H278-Q280 PolarHBondContact O-N 2.9Å; H278-F281 WeakPolarHBondContact O-CB 3.49Å; H278-F281 PolarHBondContact O-N 2.86Å; H278-E282 IonicContact CE1-OE1 3.02Å; H278-E282 PolarHBondContact CE1-OE1 2.9Å; H278-E282 IonicContact CE1-OE2 3.76Å; H278-E282 IonicContact ND1-OE1 3.39Å; H278-E282 PolarHBondContact ND1-OE1 3.42Å; H278-E282 IonicContact ND1-OE2 3.26Å; H278-E282 PolarHBondContact ND1-OE2 3.35Å; H278-E282 WeakPolarHBondContact O-CG 3.45Å; H278-E282 PolarHBondContact O-N 2.93Å
279	R	96.4	Very high	96.4	Very high	146 Å²	146	108.4 Å²	108.4	55%	0.551	52%	0.516	S	S	*	.	H	α-helix	trans	-62.8	-36.2	177.2	-81.9	-174.8	-85.7	-161.4	-7.5	113.2	Q275 I276 A283	Q275-R279 WeakPolarHBondContact O-CB 3.39Å; Q275-R279 WeakPolarHBondContact O-CG 3.29Å; Q275-R279 PolarHBondContact O-N 3.38Å; Q275-R279 PolarHBondContact O-NE 2.99Å; I276-R279 PolarHBondContact O-N 2.95Å; R279-A283 WeakPolarHBondContact O-CB 3.46Å; R279-A283 PolarHBondContact O-N 3.41Å
280	Q	97.4	Very high	96.5	Very high	115 Å²	115	107 Å²	107	54%	0.537	51%	0.511	S	S	.	.	H	α-helix	trans	-63.5	-46.1	173.4	-75.4	176.7	-12.7	0	0	111.1	I276 R277 H278 A283 E284	I276-Q280 WeakPolarHBondContact O-CG 3.36Å; I276-Q280 PolarHBondContact O-N 2.88Å; R277-Q280 PolarHBondContact O-N 3.28Å; H278-Q280 VanDerWaalsContact C-N 3.32Å; H278-Q280 PolarHBondContact O-N 2.9Å; Q280-A283 PolarHBondContact O-N 3.28Å; Q280-E284 WeakPolarHBondContact O-CG 3.39Å; Q280-E284 PolarHBondContact O-N 3.19Å
281	F	97.1	Very high	96.6	Very high	128 Å²	128	110.1 Å²	110.1	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-62.1	-43.5	177.3	-179.2	-98.3	0	0	0	112.5	R277 H278 A283 E284 Q285	R277-F281 PolarHBondContact O-N 3.46Å; H278-F281 WeakPolarHBondContact O-CB 3.49Å; H278-F281 PolarHBondContact O-N 2.86Å; F281-A283 PolarHBondContact O-N 2.88Å; F281-E284 PolarHBondContact O-N 3.37Å; F281-Q285 WeakPolarHBondContact O-CB 3.33Å; F281-Q285 PolarHBondContact O-N 3.46Å
282	E	96.9	Very high	96.6	Very high	91 Å²	91	112.3 Å²	112.3	43%	0.425	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174.9	-73.3	176.4	139.9	0	0	111.9	H278 E284 Q285 E286	H278-E282 IonicContact CE1-OE1 3.02Å; H278-E282 PolarHBondContact CE1-OE1 2.9Å; H278-E282 IonicContact CE1-OE2 3.76Å; H278-E282 IonicContact ND1-OE1 3.39Å; H278-E282 PolarHBondContact ND1-OE1 3.42Å; H278-E282 IonicContact ND1-OE2 3.26Å; H278-E282 PolarHBondContact ND1-OE2 3.35Å; H278-E282 WeakPolarHBondContact O-CG 3.45Å; H278-E282 PolarHBondContact O-N 2.93Å; E282-E284 VanDerWaalsContact C-N 3.33Å; E282-E284 PolarHBondContact O-N 3.29Å; E282-Q285 PolarHBondContact O-N 3.31Å; E282-E286 WeakPolarHBondContact O-CB 3.37Å; E282-E286 PolarHBondContact O-N 2.81Å
283	A	96.4	Very high	96.7	Very high	57 Å²	57	113.9 Å²	113.9	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-37.8	177.8	0	0	0	0	0	112.2	R279 Q280 F281 L287	R279-A283 WeakPolarHBondContact O-CB 3.46Å; R279-A283 PolarHBondContact O-N 3.41Å; Q280-A283 PolarHBondContact O-N 3.28Å; F281-A283 PolarHBondContact O-N 2.88Å; A283-L287 WeakPolarHBondContact O-CB 3.45Å; A283-L287 PolarHBondContact O-N 3.06Å
284	E	95.3	Very high	96.5	Very high	123 Å²	123	117.1 Å²	117.1	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-42.4	174	-75.6	-179.2	-175	0	0	111.9	Q280 F281 E282 L287 Q288	Q280-E284 WeakPolarHBondContact O-CG 3.39Å; Q280-E284 PolarHBondContact O-N 3.19Å; F281-E284 PolarHBondContact O-N 3.37Å; E282-E284 VanDerWaalsContact C-N 3.33Å; E282-E284 PolarHBondContact O-N 3.29Å; E284-L287 PolarHBondContact O-N 2.9Å; E284-Q288 WeakPolarHBondContact O-CG 3.46Å; E284-Q288 PolarHBondContact O-N 3.18Å
285	Q	97.3	Very high	96.5	Very high	115 Å²	115	114.9 Å²	114.9	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-44.2	176.9	-169.3	-177.7	31.8	0	0	111.5	F281 E282 L287 Q288 E289	F281-Q285 WeakPolarHBondContact O-CB 3.33Å; F281-Q285 PolarHBondContact O-N 3.46Å; E282-Q285 PolarHBondContact O-N 3.31Å; Q285-L287 VanDerWaalsContact C-N 3.29Å; Q285-L287 PolarHBondContact O-N 3.27Å; Q285-Q288 WeakPolarHBondContact O-CB 3.43Å; Q285-Q288 PolarHBondContact O-N 3.25Å; Q285-E289 PolarHBondContact O-N 2.88Å
286	E	95.9	Very high	96.4	Very high	126 Å²	126	116.3 Å²	116.3	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-40.6	175.9	-171.5	-178.4	175.9	0	0	111.1	E282 Q288 E289 L290	E282-E286 WeakPolarHBondContact O-CB 3.37Å; E282-E286 PolarHBondContact O-N 2.81Å; E286-Q288 PolarHBondContact O-N 3.31Å; E286-E289 PolarHBondContact O-N 3.29Å; E286-L290 HydrophobicContact CG-CD1 4.48Å; E286-L290 WeakPolarHBondContact O-CB 3.22Å; E286-L290 WeakPolarHBondContact O-CG 3.44Å; E286-L290 PolarHBondContact O-N 3.34Å
287	L	96.4	Very high	96	Very high	97 Å²	97	118.2 Å²	118.2	51%	0.508	53%	0.525	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.3	-166.8	115.8	0	0	0	112.2	A283 E284 Q285 L290 K291	A283-L287 WeakPolarHBondContact O-CB 3.45Å; A283-L287 PolarHBondContact O-N 3.06Å; E284-L287 PolarHBondContact O-N 2.9Å; Q285-L287 VanDerWaalsContact C-N 3.29Å; Q285-L287 PolarHBondContact O-N 3.27Å; L287-L290 PolarHBondContact O-N 2.65Å; L287-K291 HydrophobicContact CD2-CD 4.18Å; L287-K291 WeakPolarHBondContact O-CB 3.47Å; L287-K291 WeakPolarHBondContact O-CG 3.43Å; L287-K291 PolarHBondContact O-N 2.68Å
288	Q	95.8	Very high	95.8	Very high	133 Å²	133	117.9 Å²	117.9	62%	0.621	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-41.1	173.7	-72.6	-175.4	8.7	0	0	111.8	E284 Q285 E286 K291 R292	E284-Q288 WeakPolarHBondContact O-CG 3.46Å; E284-Q288 PolarHBondContact O-N 3.18Å; Q285-Q288 WeakPolarHBondContact O-CB 3.43Å; Q285-Q288 PolarHBondContact O-N 3.25Å; E286-Q288 PolarHBondContact O-N 3.31Å; Q288-K291 WeakPolarHBondContact O-CB 3.43Å; Q288-K291 PolarHBondContact O-N 3.03Å; Q288-R292 PolarHBondContact O-N 3.43Å
289	E	96.6	Very high	95.7	Very high	106 Å²	106	119.6 Å²	119.6	50%	0.495	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-41.8	176.4	-178.6	162.6	-148.4	0	0	112	Q285 E286 K291 R292 R293	Q285-E289 PolarHBondContact O-N 2.88Å; E286-E289 PolarHBondContact O-N 3.29Å; E289-K291 VanDerWaalsContact C-N 3.31Å; E289-K291 PolarHBondContact O-N 2.92Å; E289-R292 WeakPolarHBondContact O-CB 3.5Å; E289-R292 PolarHBondContact O-N 3.24Å; E289-R292 IonicContact OE1-NH2 2.97Å; E289-R292 PolarHBondContact OE1-NH2 3.29Å; E289-R293 WeakPolarHBondContact O-CB 3.43Å; E289-R293 PolarHBondContact O-N 3.39Å
290	L	96	Very high	95.6	Very high	78 Å²	78	115.2 Å²	115.2	41%	0.408	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-38.3	174.2	-73.3	174.9	0	0	0	112.1	E286 L287 R293 R294	E286-L290 HydrophobicContact CG-CD1 4.48Å; E286-L290 WeakPolarHBondContact O-CB 3.22Å; E286-L290 WeakPolarHBondContact O-CG 3.44Å; E286-L290 PolarHBondContact O-N 3.34Å; L287-L290 PolarHBondContact O-N 2.65Å; L290-R293 PolarHBondContact O-N 3.1Å; L290-R294 VanDerWaalsContact O-CG 3.29Å; L290-R294 WeakPolarHBondContact O-CG 3.46Å; L290-R294 PolarHBondContact O-N 3.44Å
291	K	96.4	Very high	95.1	Very high	127 Å²	127	118.6 Å²	118.6	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-62.8	-48	172.5	-78.1	174.9	177	175.9	0	111.2	L287 Q288 E289 R293 R294 E295	L287-K291 HydrophobicContact CD2-CD 4.18Å; L287-K291 WeakPolarHBondContact O-CB 3.47Å; L287-K291 WeakPolarHBondContact O-CG 3.43Å; L287-K291 PolarHBondContact O-N 2.68Å; Q288-K291 WeakPolarHBondContact O-CB 3.43Å; Q288-K291 PolarHBondContact O-N 3.03Å; E289-K291 VanDerWaalsContact C-N 3.31Å; E289-K291 PolarHBondContact O-N 2.92Å; K291-R293 VanDerWaalsContact C-N 3.31Å; K291-R293 PolarHBondContact O-N 3.17Å; K291-R294 PolarHBondContact O-N 3.32Å; K291-E295 PolarHBondContact O-N 3.05Å
292	R	97.8	Very high	95	Very high	154 Å²	154	117.1 Å²	117.1	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-55.5	-46.4	175.2	-176.2	-176.1	67.7	177.2	-2.7	111.1	Q288 E289 R294 E295 E296	Q288-R292 PolarHBondContact O-N 3.43Å; E289-R292 WeakPolarHBondContact O-CB 3.5Å; E289-R292 PolarHBondContact O-N 3.24Å; E289-R292 IonicContact OE1-NH2 2.97Å; E289-R292 PolarHBondContact OE1-NH2 3.29Å; R292-R294 VanDerWaalsContact C-N 3.33Å; R292-R294 PolarHBondContact O-N 3.47Å; R292-E295 PolarHBondContact O-N 2.94Å; R292-E296 WeakPolarHBondContact O-CB 3.4Å; R292-E296 PolarHBondContact O-N 2.81Å
293	R	97.1	Very high	94.8	Very high	153 Å²	153	118.2 Å²	118.2	58%	0.577	53%	0.528	S	S	*	.	H	α-helix	trans	-68.4	-30.7	-178.8	-153.4	-178.9	174.1	-177	-0.3	113.1	E289 L290 K291 R297	E289-R293 WeakPolarHBondContact O-CB 3.43Å; E289-R293 PolarHBondContact O-N 3.39Å; L290-R293 PolarHBondContact O-N 3.1Å; K291-R293 VanDerWaalsContact C-N 3.31Å; K291-R293 PolarHBondContact O-N 3.17Å; R293-R297 WeakPolarHBondContact O-CG 3.3Å; R293-R297 PolarHBondContact O-N 3.39Å; R293-R297 PolarHBondContact O-NH1 2.84Å
294	R	91.8	Very high	94.6	Very high	169 Å²	169	120 Å²	120	64%	0.638	53%	0.527	S	S	*	.	H	α-helix	trans	-70.9	-42.9	172.4	-75.1	172.9	-174.5	-168.5	3	111.2	L290 K291 R292 R297 R298	L290-R294 VanDerWaalsContact O-CG 3.29Å; L290-R294 WeakPolarHBondContact O-CG 3.46Å; L290-R294 PolarHBondContact O-N 3.44Å; K291-R294 PolarHBondContact O-N 3.32Å; R292-R294 VanDerWaalsContact C-N 3.33Å; R292-R294 PolarHBondContact O-N 3.47Å; R294-R297 VanDerWaalsContact CG-NH2 3.28Å; R294-R297 PolarHBondContact O-N 3.09Å; R294-R298 PolarHBondContact O-N 3.06Å; R294-R298 VanDerWaalsContact O-N 3.1Å
295	E	96.3	Very high	94.4	Very high	73 Å²	73	119.9 Å²	119.9	34%	0.341	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-41.4	177.2	-177.4	172	-166	0	0	111.8	K291 R292 R297 R298 R299	K291-E295 PolarHBondContact O-N 3.05Å; R292-E295 PolarHBondContact O-N 2.94Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-R297 PolarHBondContact O-N 2.72Å; E295-R298 WeakPolarHBondContact O-CA 3.4Å; E295-R298 WeakPolarHBondContact O-CB 3.44Å; E295-R298 PolarHBondContact O-N 3.21Å; E295-R298 IonicContact OE1-NH2 2.88Å; E295-R299 HydrophobicContact CG-CG 4.39Å; E295-R299 WeakPolarHBondContact O-CG 3.47Å; E295-R299 PolarHBondContact O-N 3.35Å; E295-R299 IonicContact OE1-CZ 3.42Å; E295-R299 IonicContact OE1-NE 2.81Å; E295-R299 PolarHBondContact OE1-NE 3.2Å; E295-R299 IonicContact OE1-NH2 2.73Å; E295-R299 PolarHBondContact OE1-NH2 2.85Å
296	E	94.9	Very high	94.2	Very high	120 Å²	120	121.2 Å²	121.2	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-59.2	-44.4	174.9	-175.3	179.9	-164.8	0	0	111.5	R292 R298 R299 A300	R292-E296 WeakPolarHBondContact O-CB 3.4Å; R292-E296 PolarHBondContact O-N 2.81Å; E296-R298 VanDerWaalsContact C-N 3.26Å; E296-R298 PolarHBondContact O-N 3.41Å; E296-R299 PolarHBondContact O-N 2.87Å; E296-A300 WeakPolarHBondContact O-CB 3.44Å; E296-A300 PolarHBondContact O-N 3.2Å
297	R	89.3	Confident	94	Very high	121 Å²	121	119.9 Å²	119.9	46%	0.457	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-31.3	173.3	-75.7	-171	-62.9	-91.4	2.9	113.4	R293 R294 E295 R301	R293-R297 WeakPolarHBondContact O-CG 3.3Å; R293-R297 PolarHBondContact O-N 3.39Å; R293-R297 PolarHBondContact O-NH1 2.84Å; R294-R297 VanDerWaalsContact CG-NH2 3.28Å; R294-R297 PolarHBondContact O-N 3.09Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-R297 PolarHBondContact O-N 2.72Å; R297-R301 WeakPolarHBondContact O-CG 3.42Å
298	R	93.6	Very high	93.9	Very high	137 Å²	137	122.4 Å²	122.4	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-70.9	-49	174.8	-173.2	-175	66.6	-157.3	-6	109.9	R294 E295 E296 A300 R301 E302	R294-R298 PolarHBondContact O-N 3.06Å; R294-R298 VanDerWaalsContact O-N 3.1Å; E295-R298 WeakPolarHBondContact O-CA 3.4Å; E295-R298 WeakPolarHBondContact O-CB 3.44Å; E295-R298 PolarHBondContact O-N 3.21Å; E295-R298 IonicContact OE1-NH2 2.88Å; E296-R298 VanDerWaalsContact C-N 3.26Å; E296-R298 PolarHBondContact O-N 3.41Å; R298-A300 VanDerWaalsContact C-N 3.32Å; R298-A300 PolarHBondContact O-N 3.47Å; R298-R301 PolarHBondContact O-N 3.37Å; R298-R301 VanDerWaalsContact O-N 3.16Å; R298-E302 WeakPolarHBondContact CG-OE1 3.47Å; R298-E302 IonicContact NE-OE1 3.67Å; R298-E302 PolarHBondContact O-N 2.93Å; R298-E302 VanDerWaalsContact O-N 3.11Å
299	R	94.7	Very high	93.9	Very high	143 Å²	143	120.4 Å²	120.4	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-38.8	178.4	-70	-174.8	-171	-169.8	3.2	112.5	E295 E296 R301 E302 E303	E295-R299 HydrophobicContact CG-CG 4.39Å; E295-R299 WeakPolarHBondContact O-CG 3.47Å; E295-R299 PolarHBondContact O-N 3.35Å; E295-R299 IonicContact OE1-CZ 3.42Å; E295-R299 IonicContact OE1-NE 2.81Å; E295-R299 PolarHBondContact OE1-NE 3.2Å; E295-R299 IonicContact OE1-NH2 2.73Å; E295-R299 PolarHBondContact OE1-NH2 2.85Å; E296-R299 PolarHBondContact O-N 2.87Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.11Å; R299-E302 PolarHBondContact O-N 3.12Å; R299-E303 VanDerWaalsContact O-CB 3.31Å; R299-E303 WeakPolarHBondContact O-CB 3.32Å; R299-E303 PolarHBondContact O-N 3.3Å
300	A	93.9	Very high	93.8	Very high	54 Å²	54	119.6 Å²	119.6	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-36.6	176.7	0	0	0	0	0	112.5	E296 R298 E304	E296-A300 WeakPolarHBondContact O-CB 3.44Å; E296-A300 PolarHBondContact O-N 3.2Å; R298-A300 VanDerWaalsContact C-N 3.32Å; R298-A300 PolarHBondContact O-N 3.47Å; A300-E304 WeakPolarHBondContact O-CB 3.45Å; A300-E304 PolarHBondContact O-N 3.33Å
301	R	88.8	Confident	93.7	Very high	186 Å²	186	121.8 Å²	121.8	70%	0.702	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-42.9	175.6	-66.4	175.3	-171.7	-137.5	-2.4	111.7	R297 R298 R299 E303 E304 E305	R297-R301 WeakPolarHBondContact O-CG 3.42Å; R298-R301 PolarHBondContact O-N 3.37Å; R298-R301 VanDerWaalsContact O-N 3.16Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.11Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 2.9Å; R301-E304 PolarHBondContact O-N 2.67Å; R301-E305 WeakPolarHBondContact O-CB 3.39Å; R301-E305 PolarHBondContact O-N 3.46Å
302	E	93.5	Very high	93.7	Very high	96 Å²	96	121.9 Å²	121.9	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-37.8	176.1	-68.9	168.1	-171.7	0	0	111.3	R298 R299 R306	R298-E302 WeakPolarHBondContact CG-OE1 3.47Å; R298-E302 IonicContact NE-OE1 3.67Å; R298-E302 PolarHBondContact O-N 2.93Å; R298-E302 VanDerWaalsContact O-N 3.11Å; R299-E302 PolarHBondContact O-N 3.12Å; E302-R306 WeakPolarHBondContact O-CG 3.23Å; E302-R306 PolarHBondContact O-N 3.45Å
303	E	93.2	Very high	93.6	Very high	114 Å²	114	121 Å²	121	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-71.7	-40.2	176.7	-171.1	170.5	-169.9	0	0	112.1	R299 R301 E305 R306 Q307	R299-E303 VanDerWaalsContact O-CB 3.31Å; R299-E303 WeakPolarHBondContact O-CB 3.32Å; R299-E303 PolarHBondContact O-N 3.3Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 2.9Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-R306 PolarHBondContact O-N 2.8Å; E303-Q307 WeakPolarHBondContact O-CG 3.46Å; E303-Q307 PolarHBondContact O-N 3.07Å
304	E	92.1	Very high	93.3	Very high	94 Å²	94	120.2 Å²	120.2	44%	0.439	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-40	172.3	-170	-171.1	156.6	0	0	111.6	A300 R301 Q307 R308	A300-E304 WeakPolarHBondContact O-CB 3.45Å; A300-E304 PolarHBondContact O-N 3.33Å; R301-E304 PolarHBondContact O-N 2.67Å; E304-Q307 PolarHBondContact O-N 3.28Å; E304-R308 VanDerWaalsContact O-CG 3.31Å; E304-R308 WeakPolarHBondContact O-CG 3.45Å; E304-R308 PolarHBondContact O-N 3.04Å; E304-R308 IonicContact OE1-CZ 2.65Å; E304-R308 IonicContact OE1-NE 3.36Å; E304-R308 PolarHBondContact OE1-NE 3.06Å; E304-R308 IonicContact OE1-NH2 2.68Å; E304-R308 PolarHBondContact OE1-NH2 2.92Å
305	E	91.9	Very high	93.4	Very high	122 Å²	122	118 Å²	118	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-64.7	-43.8	175.3	-173.8	170.5	-161.8	0	0	111.5	R301 E303 Q307 R308 E309	R301-E305 WeakPolarHBondContact O-CB 3.39Å; R301-E305 PolarHBondContact O-N 3.46Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E305-Q307 VanDerWaalsContact C-N 3.34Å; E305-Q307 PolarHBondContact O-N 2.76Å; E305-R308 WeakPolarHBondContact O-CB 3.36Å; E305-R308 PolarHBondContact O-N 3Å; E305-E309 PolarHBondContact O-N 2.92Å
306	R	91.9	Very high	93.1	Very high	142 Å²	142	119.5 Å²	119.5	54%	0.536	53%	0.529	S	S	.	.	H	α-helix	trans	-60.6	-41.7	173.3	-81.1	-169.5	59.8	-123.2	-14.4	113	E302 E303 R308 E309 E310	E302-R306 WeakPolarHBondContact O-CG 3.23Å; E302-R306 PolarHBondContact O-N 3.45Å; E303-R306 PolarHBondContact O-N 2.8Å; R306-R308 VanDerWaalsContact C-N 3.34Å; R306-E309 PolarHBondContact O-N 3.04Å; R306-E310 IonicContact CZ-OE1 3.32Å; R306-E310 IonicContact NH2-OE1 2.7Å; R306-E310 PolarHBondContact NH2-OE1 3.31Å; R306-E310 WeakPolarHBondContact O-CB 3.42Å; R306-E310 WeakPolarHBondContact O-CG 3.41Å; R306-E310 PolarHBondContact O-N 2.9Å
307	Q	91.9	Very high	93.1	Very high	99 Å²	99	116.5 Å²	116.5	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.7	-75.9	178	-2.8	0	0	111.1	E303 E304 E305 E309 E310 E311	E303-Q307 WeakPolarHBondContact O-CG 3.46Å; E303-Q307 PolarHBondContact O-N 3.07Å; E304-Q307 PolarHBondContact O-N 3.28Å; E305-Q307 VanDerWaalsContact C-N 3.34Å; E305-Q307 PolarHBondContact O-N 2.76Å; Q307-E309 PolarHBondContact O-N 3.46Å; Q307-E310 PolarHBondContact O-N 2.69Å; Q307-E311 WeakPolarHBondContact O-CB 3.37Å; Q307-E311 WeakPolarHBondContact O-CG 3.47Å; Q307-E311 PolarHBondContact O-N 3.42Å
308	R	94.4	Very high	93.4	Very high	149 Å²	149	113.5 Å²	113.5	56%	0.562	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-42.1	175.7	-72.1	172.4	-176.3	-76.6	-2.1	112.4	E304 E305 R306 E311 E312	E304-R308 VanDerWaalsContact O-CG 3.31Å; E304-R308 WeakPolarHBondContact O-CG 3.45Å; E304-R308 PolarHBondContact O-N 3.04Å; E304-R308 IonicContact OE1-CZ 2.65Å; E304-R308 IonicContact OE1-NE 3.36Å; E304-R308 PolarHBondContact OE1-NE 3.06Å; E304-R308 IonicContact OE1-NH2 2.68Å; E304-R308 PolarHBondContact OE1-NH2 2.92Å; E305-R308 WeakPolarHBondContact O-CB 3.36Å; E305-R308 PolarHBondContact O-N 3Å; R306-R308 VanDerWaalsContact C-N 3.34Å; R308-E311 PolarHBondContact O-N 3.49Å; R308-E312 WeakPolarHBondContact O-CB 3.37Å; R308-E312 PolarHBondContact O-N 3.48Å
309	E	95.7	Very high	93.5	Very high	91 Å²	91	111.7 Å²	111.7	43%	0.425	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-39.7	175.5	-75.5	-173.4	-173.8	0	0	112.5	E305 R306 Q307 E312 K313	E305-E309 PolarHBondContact O-N 2.92Å; R306-E309 PolarHBondContact O-N 3.04Å; Q307-E309 PolarHBondContact O-N 3.46Å; E309-E312 PolarHBondContact O-N 3.28Å; E309-K313 WeakPolarHBondContact O-CB 3.42Å; E309-K313 VanDerWaalsContact O-CG 3.27Å; E309-K313 WeakPolarHBondContact O-CG 3.48Å; E309-K313 PolarHBondContact O-N 3.47Å; E309-K313 IonicContact OE2-NZ 3.59Å
310	E	95.1	Very high	93.5	Very high	89 Å²	89	110.1 Å²	110.1	42%	0.416	52%	0.522	S	S	.	.	H	α-helix	trans	-66.6	-42.9	176.9	-74.1	171.5	-164.5	0	0	111.1	R306 Q307 K313 Q314	R306-E310 IonicContact CZ-OE1 3.32Å; R306-E310 IonicContact NH2-OE1 2.7Å; R306-E310 PolarHBondContact NH2-OE1 3.31Å; R306-E310 WeakPolarHBondContact O-CB 3.42Å; R306-E310 WeakPolarHBondContact O-CG 3.41Å; R306-E310 PolarHBondContact O-N 2.9Å; Q307-E310 PolarHBondContact O-N 2.69Å; E310-K313 PolarHBondContact O-N 2.8Å; E310-Q314 WeakPolarHBondContact O-CB 3.49Å; E310-Q314 VanDerWaalsContact O-CG 3.29Å; E310-Q314 WeakPolarHBondContact O-CG 3.37Å; E310-Q314 PolarHBondContact O-N 3.38Å
311	E	94.8	Very high	93.4	Very high	124 Å²	124	114.4 Å²	114.4	58%	0.579	53%	0.533	S	S	*	.	H	α-helix	trans	-61.8	-41.9	172.8	-73.7	176.8	-179.5	0	0	112	Q307 R308 Q314 H315	Q307-E311 WeakPolarHBondContact O-CB 3.37Å; Q307-E311 WeakPolarHBondContact O-CG 3.47Å; Q307-E311 PolarHBondContact O-N 3.42Å; R308-E311 PolarHBondContact O-N 3.49Å; E311-Q314 PolarHBondContact O-N 3.41Å; E311-H315 WeakPolarHBondContact O-CB 3.45Å; E311-H315 PolarHBondContact O-N 2.87Å
312	E	94.6	Very high	93.7	Very high	130 Å²	130	111.6 Å²	111.6	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-65.6	-43.1	176.8	-174.6	174.3	177.8	0	0	111.4	R308 E309 Q314 H315 M316	R308-E312 WeakPolarHBondContact O-CB 3.37Å; R308-E312 PolarHBondContact O-N 3.48Å; E309-E312 PolarHBondContact O-N 3.28Å; E312-Q314 VanDerWaalsContact C-N 3.32Å; E312-Q314 PolarHBondContact O-N 3.17Å; E312-H315 PolarHBondContact O-N 2.97Å; E312-M316 WeakPolarHBondContact O-CB 3.46Å; E312-M316 VanDerWaalsContact O-CG 3.3Å; E312-M316 WeakPolarHBondContact O-CG 3.36Å; E312-M316 PolarHBondContact O-N 3.39Å
313	K	96	Very high	93.8	Very high	135 Å²	135	113.3 Å²	113.3	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-41.1	174	-75.8	168.5	-176.5	162.2	0	111.8	E309 E310 M316 A317	E309-K313 WeakPolarHBondContact O-CB 3.42Å; E309-K313 VanDerWaalsContact O-CG 3.27Å; E309-K313 WeakPolarHBondContact O-CG 3.48Å; E309-K313 PolarHBondContact O-N 3.47Å; E309-K313 IonicContact OE2-NZ 3.59Å; E310-K313 PolarHBondContact O-N 2.8Å; K313-M316 PolarHBondContact O-N 3.49Å; K313-A317 VanDerWaalsContact O-CB 3.31Å; K313-A317 WeakPolarHBondContact O-CB 3.39Å; K313-A317 PolarHBondContact O-N 2.97Å
314	Q	92.4	Very high	93.9	Very high	136 Å²	136	115.3 Å²	115.3	64%	0.636	53%	0.533	S	S	*	.	H	α-helix	trans	-65.9	-41.2	175.6	-75.1	178.9	11.1	0	0	111.8	E310 E311 E312 A317 A318	E310-Q314 WeakPolarHBondContact O-CB 3.49Å; E310-Q314 VanDerWaalsContact O-CG 3.29Å; E310-Q314 WeakPolarHBondContact O-CG 3.37Å; E310-Q314 PolarHBondContact O-N 3.38Å; E311-Q314 PolarHBondContact O-N 3.41Å; E312-Q314 VanDerWaalsContact C-N 3.32Å; E312-Q314 PolarHBondContact O-N 3.17Å; Q314-A317 PolarHBondContact O-N 3.44Å; Q314-A318 WeakPolarHBondContact O-CB 3.39Å; Q314-A318 PolarHBondContact O-N 3.47Å
315	H	93.3	Very high	94	Very high	123 Å²	123	117.9 Å²	117.9	57%	0.569	54%	0.542	S	S	*	.	H	α-helix	trans	-61.9	-46.9	175.4	-176.7	-78.3	0	0	0	111.3	E311 E312 A317 A318 E319	E311-H315 WeakPolarHBondContact O-CB 3.45Å; E311-H315 PolarHBondContact O-N 2.87Å; E312-H315 PolarHBondContact O-N 2.97Å; H315-A317 VanDerWaalsContact C-N 3.34Å; H315-A317 PolarHBondContact O-N 3.03Å; H315-A318 PolarHBondContact O-N 3.44Å; H315-E319 IonicContact CE1-OE2 3.72Å; H315-E319 IonicContact ND1-OE2 3.38Å; H315-E319 WeakPolarHBondContact O-CB 3.16Å; H315-E319 PolarHBondContact O-N 3.18Å
316	M	89.9	Confident	94.1	Very high	104 Å²	104	117.6 Å²	117.6	51%	0.512	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-39.7	176.8	-71	-56.9	-57.8	0	0	112.2	E312 K313 E320	E312-M316 WeakPolarHBondContact O-CB 3.46Å; E312-M316 VanDerWaalsContact O-CG 3.3Å; E312-M316 WeakPolarHBondContact O-CG 3.36Å; E312-M316 PolarHBondContact O-N 3.39Å; K313-M316 PolarHBondContact O-N 3.49Å; M316-E320 WeakPolarHBondContact O-CB 3.44Å; M316-E320 PolarHBondContact O-N 2.77Å
317	A	95.4	Very high	94.3	Very high	58 Å²	58	116.7 Å²	116.7	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-66	-41.6	175.4	0	0	0	0	0	112.1	K313 Q314 H315 E320 E321	K313-A317 VanDerWaalsContact O-CB 3.31Å; K313-A317 WeakPolarHBondContact O-CB 3.39Å; K313-A317 PolarHBondContact O-N 2.97Å; Q314-A317 PolarHBondContact O-N 3.44Å; H315-A317 VanDerWaalsContact C-N 3.34Å; H315-A317 PolarHBondContact O-N 3.03Å; A317-E320 PolarHBondContact O-N 2.73Å; A317-E321 WeakPolarHBondContact O-CB 3.29Å; A317-E321 PolarHBondContact O-N 3.29Å
318	A	95.1	Very high	94.4	Very high	57 Å²	57	115.8 Å²	115.8	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-41.5	176.9	0	0	0	0	0	112	Q314 H315 E321 E322	Q314-A318 WeakPolarHBondContact O-CB 3.39Å; Q314-A318 PolarHBondContact O-N 3.47Å; H315-A318 PolarHBondContact O-N 3.44Å; A318-E321 PolarHBondContact O-N 2.79Å; A318-E322 WeakPolarHBondContact O-CB 3.35Å; A318-E322 PolarHBondContact O-N 2.81Å
319	E	95.1	Very high	94.4	Very high	99 Å²	99	111.2 Å²	111.2	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-40	174.8	-175.6	177.5	179.4	0	0	111.5	H315 E322 R323	H315-E319 IonicContact CE1-OE2 3.72Å; H315-E319 IonicContact ND1-OE2 3.38Å; H315-E319 WeakPolarHBondContact O-CB 3.16Å; H315-E319 PolarHBondContact O-N 3.18Å; E319-E322 PolarHBondContact O-N 3.28Å; E319-R323 WeakPolarHBondContact O-CB 3.37Å; E319-R323 PolarHBondContact O-N 3.23Å
320	E	94	Very high	94.3	Very high	111 Å²	111	113.7 Å²	113.7	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-66.7	-40.1	174.6	177.4	159.8	-135.5	0	0	112.6	M316 A317 R323 R324	M316-E320 WeakPolarHBondContact O-CB 3.44Å; M316-E320 PolarHBondContact O-N 2.77Å; A317-E320 PolarHBondContact O-N 2.73Å; E320-R323 PolarHBondContact O-N 2.8Å; E320-R323 IonicContact OE1-NH2 3.55Å; E320-R323 PolarHBondContact OE1-NH2 3.13Å; E320-R324 WeakPolarHBondContact O-CB 3.38Å; E320-R324 PolarHBondContact O-N 3.03Å
321	E	93.4	Very high	94.2	Very high	144 Å²	144	115.1 Å²	115.1	67%	0.673	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-42.2	174.6	-171	-179.3	173.1	0	0	111.1	A317 A318 R324 K325	A317-E321 WeakPolarHBondContact O-CB 3.29Å; A317-E321 PolarHBondContact O-N 3.29Å; A318-E321 PolarHBondContact O-N 2.79Å; E321-R324 WeakPolarHBondContact O-CB 3.48Å; E321-R324 PolarHBondContact O-N 3.25Å; E321-K325 WeakPolarHBondContact O-CB 3.36Å; E321-K325 PolarHBondContact O-N 2.76Å
322	E	93.6	Very high	94.2	Very high	127 Å²	127	116.4 Å²	116.4	59%	0.593	54%	0.541	S	S	*	.	H	α-helix	trans	-61.4	-47.5	173.7	-167.9	-163.9	168.3	0	0	111	A318 E319 R324 K325 M326	A318-E322 WeakPolarHBondContact O-CB 3.35Å; A318-E322 PolarHBondContact O-N 2.81Å; E319-E322 PolarHBondContact O-N 3.28Å; E322-R324 VanDerWaalsContact C-N 3.25Å; E322-R324 PolarHBondContact O-N 3.34Å; E322-K325 WeakPolarHBondContact O-CB 3.31Å; E322-K325 PolarHBondContact O-N 2.96Å; E322-K325 VanDerWaalsContact O-N 3.11Å; E322-M326 WeakPolarHBondContact O-CG 3.29Å; E322-M326 PolarHBondContact O-N 3.3Å
323	R	95.3	Very high	94.3	Very high	132 Å²	132	117.9 Å²	117.9	50%	0.498	54%	0.541	S	S	.	.	H	α-helix	trans	-58.9	-38.5	176.4	-172	-175.7	70.5	152.7	-0.7	111.7	E319 E320 R327	E319-R323 WeakPolarHBondContact O-CB 3.37Å; E319-R323 PolarHBondContact O-N 3.23Å; E320-R323 PolarHBondContact O-N 2.8Å; E320-R323 IonicContact OE1-NH2 3.55Å; E320-R323 PolarHBondContact OE1-NH2 3.13Å; R323-R327 WeakPolarHBondContact O-CG 3.5Å; R323-R327 PolarHBondContact O-N 3.36Å; R323-R327 PolarHBondContact O-NE 3.23Å
324	R	95.9	Very high	94.2	Very high	155 Å²	155	121 Å²	121	59%	0.585	55%	0.549	S	S	*	.	H	α-helix	trans	-65.5	-47.7	174.5	-177.3	-179.5	174.9	163.6	3.3	110.9	E320 E321 E322 M326 R327 E328	E320-R324 WeakPolarHBondContact O-CB 3.38Å; E320-R324 PolarHBondContact O-N 3.03Å; E321-R324 WeakPolarHBondContact O-CB 3.48Å; E321-R324 PolarHBondContact O-N 3.25Å; E322-R324 VanDerWaalsContact C-N 3.25Å; E322-R324 PolarHBondContact O-N 3.34Å; R324-M326 VanDerWaalsContact C-N 3.29Å; R324-M326 PolarHBondContact O-N 3.05Å; R324-R327 WeakPolarHBondContact O-CB 3.47Å; R324-R327 PolarHBondContact O-N 3.49Å; R324-R327 VanDerWaalsContact O-N 3.12Å; R324-E328 HydrophobicContact CG-CG 4.47Å; R324-E328 WeakPolarHBondContact CG-OE1 3.27Å; R324-E328 IonicContact CZ-OE1 2.67Å; R324-E328 IonicContact NE-OE1 3.06Å; R324-E328 PolarHBondContact NE-OE1 2.9Å; R324-E328 IonicContact NH2-OE1 3.12Å; R324-E328 WeakPolarHBondContact O-CG 3.47Å; R324-E328 PolarHBondContact O-N 2.96Å
325	K	95.6	Very high	94.1	Very high	149 Å²	149	120.2 Å²	120.2	65%	0.648	55%	0.547	S	S	*	.	H	α-helix	trans	-59.1	-40	177.7	-170.3	178.4	-179.7	-179.2	0	112.1	E321 E322 E328 D329	E321-K325 WeakPolarHBondContact O-CB 3.36Å; E321-K325 PolarHBondContact O-N 2.76Å; E322-K325 WeakPolarHBondContact O-CB 3.31Å; E322-K325 PolarHBondContact O-N 2.96Å; E322-K325 VanDerWaalsContact O-N 3.11Å; K325-E328 PolarHBondContact O-N 2.78Å; K325-D329 WeakPolarHBondContact O-CB 3.26Å; K325-D329 PolarHBondContact O-N 2.94Å
326	M	93.7	Very high	93.8	Very high	115 Å²	115	119.3 Å²	119.3	57%	0.567	54%	0.543	S	S	*	.	H	α-helix	trans	-64.6	-38.6	176	-70	-59.6	-69.2	0	0	112.7	E322 R324 D329 M330	E322-M326 WeakPolarHBondContact O-CG 3.29Å; E322-M326 PolarHBondContact O-N 3.3Å; R324-M326 VanDerWaalsContact C-N 3.29Å; R324-M326 PolarHBondContact O-N 3.05Å; M326-D329 PolarHBondContact O-N 3.49Å; M326-M330 PolarHBondContact O-N 3.06Å
327	R	94.6	Very high	93.9	Very high	124 Å²	124	116.9 Å²	116.9	47%	0.468	54%	0.539	S	S	.	.	H	α-helix	trans	-65.6	-46.5	173.8	-74.3	-177.6	-72.2	-146	3.1	111.6	R323 R324 D329 M330 E331	R323-R327 WeakPolarHBondContact O-CG 3.5Å; R323-R327 PolarHBondContact O-N 3.36Å; R323-R327 PolarHBondContact O-NE 3.23Å; R324-R327 WeakPolarHBondContact O-CB 3.47Å; R324-R327 PolarHBondContact O-N 3.49Å; R324-R327 VanDerWaalsContact O-N 3.12Å; R327-D329 VanDerWaalsContact C-N 3.29Å; R327-D329 PolarHBondContact O-N 3.09Å; R327-M330 PolarHBondContact O-N 3.34Å; R327-E331 WeakPolarHBondContact O-CB 3.22Å; R327-E331 PolarHBondContact O-N 2.86Å
328	E	94.8	Very high	93.6	Very high	80 Å²	80	116.9 Å²	116.9	37%	0.374	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-34.7	176.7	-70.2	176.5	-172	0	0	111.8	R324 K325 R332	R324-E328 HydrophobicContact CG-CG 4.47Å; R324-E328 WeakPolarHBondContact CG-OE1 3.27Å; R324-E328 IonicContact CZ-OE1 2.67Å; R324-E328 IonicContact NE-OE1 3.06Å; R324-E328 PolarHBondContact NE-OE1 2.9Å; R324-E328 IonicContact NH2-OE1 3.12Å; R324-E328 WeakPolarHBondContact O-CG 3.47Å; R324-E328 PolarHBondContact O-N 2.96Å; K325-E328 PolarHBondContact O-N 2.78Å; E328-R332 VanDerWaalsContact O-CB 3.23Å; E328-R332 WeakPolarHBondContact O-CB 3.48Å; E328-R332 PolarHBondContact O-N 3.36Å
329	D	95.1	Very high	93	Very high	52 Å²	52	120.6 Å²	120.6	28%	0.278	55%	0.547	S	S	.	.	H	α-helix	trans	-70.8	-40.2	176	-165.7	55.8	0	0	0	112.3	K325 M326 R327 E331 R332 R333	K325-D329 WeakPolarHBondContact O-CB 3.26Å; K325-D329 PolarHBondContact O-N 2.94Å; M326-D329 PolarHBondContact O-N 3.49Å; R327-D329 VanDerWaalsContact C-N 3.29Å; R327-D329 PolarHBondContact O-N 3.09Å; D329-E331 VanDerWaalsContact C-N 3.33Å; D329-E331 PolarHBondContact O-N 3.5Å; D329-R332 PolarHBondContact O-N 3.16Å; D329-R333 WeakPolarHBondContact O-CG 3.2Å; D329-R333 PolarHBondContact O-N 3.43Å; D329-R333 IonicContact OD2-CZ 3.22Å; D329-R333 IonicContact OD2-NE 3.55Å; D329-R333 PolarHBondContact OD2-NE 3.43Å; D329-R333 IonicContact OD2-NH2 3.37Å; D329-R333 PolarHBondContact OD2-NH2 2.79Å
330	M	92.4	Very high	92.5	Very high	144 Å²	144	123.3 Å²	123.3	71%	0.709	55%	0.553	S	S	*	*	H	α-helix	trans	-63.6	-40.7	173.7	-168.1	-176.4	-62.5	0	0	111.6	M326 R327 R334	M326-M330 PolarHBondContact O-N 3.06Å; R327-M330 PolarHBondContact O-N 3.34Å; M330-R334 WeakPolarHBondContact O-CB 3.33Å; M330-R334 PolarHBondContact O-N 3.03Å
331	E	93.4	Very high	91.7	Very high	118 Å²	118	124.3 Å²	124.3	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-68.9	-39	175.3	-172	172.2	-150.6	0	0	112.1	R327 D329 R334 M335	R327-E331 WeakPolarHBondContact O-CB 3.22Å; R327-E331 PolarHBondContact O-N 2.86Å; D329-E331 VanDerWaalsContact C-N 3.33Å; D329-E331 PolarHBondContact O-N 3.5Å; E331-R334 CarbonylContact O-C 3.56Å; E331-R334 WeakPolarHBondContact O-CA 3.16Å; E331-R334 WeakPolarHBondContact O-CB 3.47Å; E331-R334 PolarHBondContact O-N 3.22Å; E331-R334 VanDerWaalsContact O-N 3.13Å; E331-M335 HydrophobicContact CG-CE 4.4Å; E331-M335 PolarHBondContact O-N 3.1Å
332	R	95.8	Very high	91.2	Very high	151 Å²	151	124.5 Å²	124.5	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-58.6	-48.4	172.8	-176.5	-173.5	-54.3	-76.1	-6.2	111.2	E328 D329 R334 M335 E336	E328-R332 VanDerWaalsContact O-CB 3.23Å; E328-R332 WeakPolarHBondContact O-CB 3.48Å; E328-R332 PolarHBondContact O-N 3.36Å; D329-R332 PolarHBondContact O-N 3.16Å; R332-R334 VanDerWaalsContact C-N 3.25Å; R332-R334 PolarHBondContact O-N 3.17Å; R332-M335 PolarHBondContact O-N 3.45Å; R332-E336 WeakPolarHBondContact O-CB 3.48Å; R332-E336 PolarHBondContact O-N 2.85Å
333	R	95.8	Very high	90	Very high	161 Å²	161	121.2 Å²	121.2	61%	0.608	55%	0.549	S	S	*	.	H	α-helix	trans	-61.4	-34.9	175.4	-68.7	174.9	-163.3	-177.8	2.8	111.9	D329 A337	D329-R333 WeakPolarHBondContact O-CG 3.2Å; D329-R333 PolarHBondContact O-N 3.43Å; D329-R333 IonicContact OD2-CZ 3.22Å; D329-R333 IonicContact OD2-NE 3.55Å; D329-R333 PolarHBondContact OD2-NE 3.43Å; D329-R333 IonicContact OD2-NH2 3.37Å; D329-R333 PolarHBondContact OD2-NH2 2.79Å; R333-A337 VanDerWaalsContact O-CB 3.27Å; R333-A337 WeakPolarHBondContact O-CB 3.3Å; R333-A337 PolarHBondContact O-N 2.9Å
334	R	94.3	Very high	88.4	Confident	200 Å²	200	120.1 Å²	120.1	76%	0.755	55%	0.552	S	S	*	*	H	α-helix	trans	-68.7	-43.3	175.3	-169.4	-177.4	179.7	110	-0.1	112	M330 E331 R332 A338	M330-R334 WeakPolarHBondContact O-CB 3.33Å; M330-R334 PolarHBondContact O-N 3.03Å; E331-R334 CarbonylContact O-C 3.56Å; E331-R334 WeakPolarHBondContact O-CA 3.16Å; E331-R334 WeakPolarHBondContact O-CB 3.47Å; E331-R334 PolarHBondContact O-N 3.22Å; E331-R334 VanDerWaalsContact O-N 3.13Å; R332-R334 VanDerWaalsContact C-N 3.25Å; R332-R334 PolarHBondContact O-N 3.17Å; R334-A338 WeakPolarHBondContact O-CB 3.27Å; R334-A338 PolarHBondContact O-N 3.31Å
335	M	89.1	Confident	87.1	Confident	120 Å²	120	116.9 Å²	116.9	59%	0.591	55%	0.554	S	S	*	*	H	α-helix	trans	-65.7	-42.2	174.4	-76.6	-163.4	-75	0	0	111.5	E331 R332 A338 E339	E331-M335 HydrophobicContact CG-CE 4.4Å; E331-M335 PolarHBondContact O-N 3.1Å; R332-M335 PolarHBondContact O-N 3.45Å; M335-A338 CarbonylContact O-C 3.45Å; M335-A338 PolarHBondContact O-N 2.88Å; M335-E339 VanDerWaalsContact O-CB 3.29Å; M335-E339 WeakPolarHBondContact O-CB 3.45Å; M335-E339 PolarHBondContact O-N 3.37Å
336	E	88.7	Confident	84.9	Confident	104 Å²	104	114.9 Å²	114.9	49%	0.486	55%	0.554	S	S	.	*	H	α-helix	trans	-63.7	-43.3	175.9	-172.3	-175.6	168.6	0	0	111.2	R332 A338 E339 R340	R332-E336 WeakPolarHBondContact O-CB 3.48Å; R332-E336 PolarHBondContact O-N 2.85Å; E336-A338 PolarHBondContact O-N 2.93Å; E336-E339 PolarHBondContact O-N 2.91Å; E336-R340 WeakPolarHBondContact O-CB 3.33Å; E336-R340 VanDerWaalsContact O-CG 3.26Å; E336-R340 WeakPolarHBondContact O-CG 3.49Å; E336-R340 PolarHBondContact O-N 3.37Å
337	A	90.8	Very high	82.6	Confident	53 Å²	53	113.8 Å²	113.8	44%	0.438	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-42.1	174.4	0	0	0	0	0	112	R333 R340 M341	R333-A337 VanDerWaalsContact O-CB 3.27Å; R333-A337 WeakPolarHBondContact O-CB 3.3Å; R333-A337 PolarHBondContact O-N 2.9Å; A337-R340 PolarHBondContact O-N 2.96Å; A337-M341 WeakPolarHBondContact O-CG 3.23Å; A337-M341 PolarHBondContact O-N 3.47Å
338	A	89.1	Confident	80.1	Confident	58 Å²	58	112 Å²	112	48%	0.479	56%	0.564	S	S	.	*	H	α-helix	trans	-65.6	-37.6	174.9	0	0	0	0	0	112.1	R334 M335 E336 M341 K342	R334-A338 WeakPolarHBondContact O-CB 3.27Å; R334-A338 PolarHBondContact O-N 3.31Å; M335-A338 CarbonylContact O-C 3.45Å; M335-A338 PolarHBondContact O-N 2.88Å; E336-A338 PolarHBondContact O-N 2.93Å; A338-M341 PolarHBondContact O-N 2.73Å; A338-K342 VanDerWaalsContact O-CB 3.27Å; A338-K342 WeakPolarHBondContact O-CB 3.47Å; A338-K342 PolarHBondContact O-N 3.19Å
339	E	82.3	Confident	77.8	Confident	135 Å²	135	112.6 Å²	112.6	63%	0.631	58%	0.582	S	S	*	*	H	α-helix	trans	-69	-36.9	175	-173.2	178.9	-174.4	0	0	111.7	M335 E336 K342 S343	M335-E339 VanDerWaalsContact O-CB 3.29Å; M335-E339 WeakPolarHBondContact O-CB 3.45Å; M335-E339 PolarHBondContact O-N 3.37Å; E336-E339 PolarHBondContact O-N 2.91Å; E339-K342 PolarHBondContact O-N 3.49Å; E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.35Å; E339-S343 PolarHBondContact O-N 3.41Å; E339-S343 PolarHBondContact O-OG 2.85Å
340	R	85.7	Confident	75.5	Confident	156 Å²	156	119 Å²	119	59%	0.589	61%	0.611	S	S	*	*	H	α-helix	trans	-62.2	-42.8	171.4	-72.9	-176.9	75.2	77.8	6.6	111.2	E336 A337 S343 L344	E336-R340 WeakPolarHBondContact O-CB 3.33Å; E336-R340 VanDerWaalsContact O-CG 3.26Å; E336-R340 WeakPolarHBondContact O-CG 3.49Å; E336-R340 PolarHBondContact O-N 3.37Å; A337-R340 PolarHBondContact O-N 2.96Å; R340-S343 VanDerWaalsContact CA-OG 3.31Å; R340-S343 WeakPolarHBondContact CA-OG 3.17Å; R340-S343 PolarHBondContact O-OG 2.98Å; R340-L344 WeakPolarHBondContact O-CB 3.41Å; R340-L344 WeakPolarHBondContact O-CD1 3.43Å; R340-L344 WeakPolarHBondContact O-CG 3.31Å; R340-L344 PolarHBondContact O-N 3.14Å
341	M	77.2	Confident	73.4	Confident	133 Å²	133	115.3 Å²	115.3	66%	0.655	61%	0.61	S	S	*	*	H	α-helix	trans	-68.1	-37.2	174.9	-69.4	-172.9	68.9	0	0	112.5	A337 A338 S345	A337-M341 WeakPolarHBondContact O-CG 3.23Å; A337-M341 PolarHBondContact O-N 3.47Å; A338-M341 PolarHBondContact O-N 2.73Å; M341-S345 WeakPolarHBondContact O-CB 3.37Å; M341-S345 PolarHBondContact O-N 2.8Å; M341-S345 PolarHBondContact O-OG 3.45Å
342	K	82.1	Confident	71.4	Confident	148 Å²	148	118.4 Å²	118.4	64%	0.643	62%	0.624	S	S	*	*	H	α-helix	trans	-72.7	-35.7	178	-170.4	-179.8	174.9	-167.2	0	112.6	A338 E339 S345 T346	A338-K342 VanDerWaalsContact O-CB 3.27Å; A338-K342 WeakPolarHBondContact O-CB 3.47Å; A338-K342 PolarHBondContact O-N 3.19Å; E339-K342 PolarHBondContact O-N 3.49Å; K342-S345 PolarHBondContact O-N 3.36Å; K342-T346 WeakPolarHBondContact O-CB 3.36Å; K342-T346 WeakPolarHBondContact O-CG2 3.43Å; K342-T346 PolarHBondContact O-N 3.14Å; K342-T346 PolarHBondContact O-OG1 3.02Å
343	S	68.1	Low	69.2	Low	58 Å²	58	119.3 Å²	119.3	41%	0.406	64%	0.635	S	S	.	*	H	α-helix	trans	-68.7	-40.2	173.4	52.6	0	0	0	0	111.2	E339 R340 S345 T346 S347	E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.35Å; E339-S343 PolarHBondContact O-N 3.41Å; E339-S343 PolarHBondContact O-OG 2.85Å; R340-S343 VanDerWaalsContact CA-OG 3.31Å; R340-S343 WeakPolarHBondContact CA-OG 3.17Å; R340-S343 PolarHBondContact O-OG 2.98Å; S343-S345 VanDerWaalsContact C-N 3.34Å; S343-S345 PolarHBondContact O-N 3.48Å; S343-T346 WeakPolarHBondContact CA-OG1 3.17Å; S343-T346 PolarHBondContact O-N 3.36Å; S343-T346 PolarHBondContact O-OG1 3.02Å; S343-S347 WeakPolarHBondContact O-CB 3.41Å; S343-S347 PolarHBondContact O-N 3.14Å; S343-S347 PolarHBondContact O-OG 3.16Å
344	L	63	Low	67.7	Low	109 Å²	109	115.6 Å²	115.6	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-65.4	-35.6	171.1	-68.1	170.1	0	0	0	112.7	R340 T346 S347 S348	R340-L344 WeakPolarHBondContact O-CB 3.41Å; R340-L344 WeakPolarHBondContact O-CD1 3.43Å; R340-L344 WeakPolarHBondContact O-CG 3.31Å; R340-L344 PolarHBondContact O-N 3.14Å; L344-T346 VanDerWaalsContact C-N 3.34Å; L344-S347 PolarHBondContact O-OG 3.46Å; L344-S348 VanDerWaalsContact O-CB 3.23Å; L344-S348 WeakPolarHBondContact O-CB 3.48Å; L344-S348 PolarHBondContact O-N 3.05Å; L344-S348 VanDerWaalsContact O-N 3.14Å
345	S	68.3	Low	65.1	Low	87 Å²	87	115.6 Å²	115.6	61%	0.608	64%	0.644	S	S	*	*	H	α-helix	trans	-75.3	-22.3	176.8	-57.2	0	0	0	0	113.2	M341 K342 S343	M341-S345 WeakPolarHBondContact O-CB 3.37Å; M341-S345 PolarHBondContact O-N 2.8Å; M341-S345 PolarHBondContact O-OG 3.45Å; K342-S345 PolarHBondContact O-N 3.36Å; S343-S345 VanDerWaalsContact C-N 3.34Å; S343-S345 PolarHBondContact O-N 3.48Å
346	T	50.2	Low	63	Low	106 Å²	106	115.5 Å²	115.5	65%	0.65	66%	0.655	S	S	*	*	H	α-helix	trans	-94.3	-15.2	175.2	49.3	0	0	0	0	112.5	K342 S343 L344	K342-T346 WeakPolarHBondContact O-CB 3.36Å; K342-T346 WeakPolarHBondContact O-CG2 3.43Å; K342-T346 PolarHBondContact O-N 3.14Å; K342-T346 PolarHBondContact O-OG1 3.02Å; S343-T346 WeakPolarHBondContact CA-OG1 3.17Å; S343-T346 PolarHBondContact O-N 3.36Å; S343-T346 PolarHBondContact O-OG1 3.02Å; L344-T346 VanDerWaalsContact C-N 3.34Å
347	S	43.8	Very low	60.9	Low	92 Å²	92	116.3 Å²	116.3	64%	0.643	67%	0.669	S	S	*	*	H	α-helix	trans	-94.7	-7.3	171.5	75.5	0	0	0	0	114.3	S343 L344	S343-S347 WeakPolarHBondContact O-CB 3.41Å; S343-S347 PolarHBondContact O-N 3.14Å; S343-S347 PolarHBondContact O-OG 3.16Å; L344-S347 PolarHBondContact O-OG 3.46Å
348	S	42.8	Very low	58.9	Low	87 Å²	87	123.6 Å²	123.6	61%	0.608	69%	0.691	S	S	*	*			trans	-114.7	56.7	-178.8	-169.9	0	0	0	0	111.3	L344	L344-S348 VanDerWaalsContact O-CB 3.23Å; L344-S348 WeakPolarHBondContact O-CB 3.48Å; L344-S348 PolarHBondContact O-N 3.05Å; L344-S348 VanDerWaalsContact O-N 3.14Å
349	A	46.8	Very low	56.8	Low	92 Å²	92	127.2 Å²	127.2	76%	0.76	71%	0.707	S	S	*	*			trans	-97.7	54	167.3	0	0	0	0	0	110.3
350	E	46.2	Very low	55.4	Low	188 Å²	188	125.7 Å²	125.7	88%	0.879	71%	0.712	S	S	*	*	S	Bend	trans	-164.8	120.4	161.8	-132.2	166.3	166.6	0	0	112.4
351	G	49.1	Very low	53.7	Low	66 Å²	66	123.8 Å²	123.8	68%	0.68	72%	0.717	S	S	*	*			trans	92.7	99.5	165.5	0	0	0	0	0	115.3
352	E	50	Low	52.7	Low	182 Å²	182	125 Å²	125	85%	0.85	72%	0.721	S	S	*	*				79.1	137	83.4	-87.6	-80.5	179.3	0	0	115.2
353	E	50.3	Low	51.5	Low	171 Å²	171	126.3 Å²	126.3	80%	0.799	73%	0.727	S	S	*	*			trans	87.6	131.6	156.9	-131.3	168.6	-172.3	0	0	122.6
354	A	65	Low	51.1	Low	82 Å²	82	130.4 Å²	130.4	68%	0.678	74%	0.742	S	S	*	*			trans	-98	132.7	-162.7	0	0	0	0	0	113.1
355	F	39.1	Very low	50.8	Low	200 Å²	200	129.8 Å²	129.8	88%	0.877	74%	0.743	S	S	*	*			trans	-146.4	118.9	156.9	-79.6	-77.4	0	0	0	112.2
356	S	45.5	Very low	50	Low	118 Å²	118	132.8 Å²	132.8	83%	0.825	75%	0.748	S	S	*	*			trans	-107.5	127.8	165.9	-73.9	0	0	0	0	109.7
357	P	44.4	Very low	50.4	Low	121 Å²	121	138.2 Å²	138.2	79%	0.786	76%	0.756	S	S	*	*			trans	-100.1	114.2	163.2	0.5	19.9	0	0	0	111
358	K	48.1	Very low	51.1	Low	207 Å²	207	137.8 Å²	137.8	90%	0.9	75%	0.75	S	S	*	*			trans	-82	120.9	164.9	-71.7	170.7	176.6	171.1	0	109.2
359	V	45.6	Very low	51.9	Low	133 Å²	133	138.7 Å²	138.7	81%	0.806	75%	0.748	S	S	*	*			trans	-131.4	100.4	162.9	-97.9	0	0	0	0	110.8
360	S	52.8	Low	52.5	Low	104 Å²	104	138.7 Å²	138.7	73%	0.727	74%	0.742	S	S	*	*			trans	29.2	98.7	146.9	-165.8	0	0	0	0	120.3
361	T	50.3	Low	53	Low	116 Å²	116	135.9 Å²	135.9	71%	0.712	73%	0.732	S	S	*	*			trans	-110.2	17.9	172.9	31.5	0	0	0	0	114.6
362	H	54.9	Low	53.5	Low	157 Å²	157	137.9 Å²	137.9	73%	0.727	73%	0.728	S	S	*	*	S	Bend	trans	-91.2	-4.3	-170.2	-73	-64.2	0	0	0	117.3
363	K	56.5	Low	54.1	Low	177 Å²	177	139.6 Å²	139.6	77%	0.77	73%	0.726	S	S	*	*	S	Bend	trans	-104.9	-12.5	-174	-67.6	-169.2	177	-176.2	0	116.4
364	I	59.4	Low	54.4	Low	143 Å²	143	135.8 Å²	135.8	73%	0.733	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-24.3	-174.2	-61.1	172.9	0	0	0	111.8	T368	I364-T368 PolarHBondContact O-OG1 3.08Å
365	T	56.9	Low	53.7	Low	96 Å²	96	139 Å²	139	59%	0.589	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-24.7	-178.6	35.2	0	0	0	0	114.3	N369	T365-N369 PolarHBondContact O-ND2 3.49Å
366	E	53.1	Low	54.4	Low	150 Å²	150	138.4 Å²	138.4	70%	0.701	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-36.5	-173.7	-160.9	177.1	-170.2	0	0	113.1	T368 N369	E366-T368 PolarHBondContact O-N 3.01Å; E366-N369 PolarHBondContact O-N 3.42Å
367	R	57.9	Low	55.1	Low	221 Å²	221	141.7 Å²	141.7	83%	0.834	72%	0.72	S	S	*	*	H	α-helix	trans	-66.6	-23.8	-178.9	-161.2	171.4	-174.6	151.3	0.5	113.1
368	T	58.9	Low	55.6	Low	83 Å²	83	142.2 Å²	142.2	51%	0.509	73%	0.727	S	S	.	*	H	α-helix	trans	-83.8	-20.6	-177.7	-38.3	0	0	0	0	112.6	I364 E366 N372	I364-T368 PolarHBondContact O-OG1 3.08Å; E366-T368 PolarHBondContact O-N 3.01Å; T368-N372 PolarHBondContact O-ND2 3.35Å; T368-N372 VanDerWaalsContact O-ND2 3.17Å
369	N	59.2	Low	55.6	Low	106 Å²	106	140.2 Å²	140.2	57%	0.567	73%	0.726	S	S	*	*	H	α-helix	trans	-86.1	-25.6	-177.5	-71.3	-39.2	0	0	0	113.7	T365 E366	T365-N369 PolarHBondContact O-ND2 3.49Å; E366-N369 PolarHBondContact O-N 3.42Å
370	S	60	Low	55.3	Low	91 Å²	91	139.2 Å²	139.2	64%	0.636	73%	0.725	S	S	*	*	H	α-helix	trans	-72.8	-34.2	177.2	-171.2	0	0	0	0	112.7	R373	S370-R373 PolarHBondContact O-N 3.45Å
371	L	55.3	Low	54.6	Low	129 Å²	129	141.3 Å²	141.3	68%	0.675	72%	0.721	S	S	*	*	H	α-helix	trans	-69.3	-35.7	-179.5	-165.7	71.2	0	0	0	111.7	R373 S374	L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 3.47Å; L371-S374 PolarHBondContact O-N 2.9Å
372	N	59.2	Low	54.2	Low	108 Å²	108	143.1 Å²	143.1	58%	0.578	72%	0.719	S	S	*	*	H	α-helix	trans	-72.1	-19.6	179.7	-87	-62.7	0	0	0	114.4	T368	T368-N372 PolarHBondContact O-ND2 3.35Å; T368-N372 VanDerWaalsContact O-ND2 3.17Å
373	R	63.3	Low	53.7	Low	218 Å²	218	144.3 Å²	144.3	82%	0.823	72%	0.722	S	S	*	*	H	α-helix	trans	-84.5	-24.8	176.9	-85.5	-179.9	155.6	-138.2	-1.6	113.8	S370 L371	S370-R373 PolarHBondContact O-N 3.45Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 3.47Å
374	S	56.6	Low	52.9	Low	92 Å²	92	141.3 Å²	141.3	64%	0.643	72%	0.719	S	S	*	*	H	α-helix	trans	-75.8	-30.8	-174.7	-168.4	0	0	0	0	113.5	L371 K376	L371-S374 PolarHBondContact O-N 2.9Å; S374-K376 VanDerWaalsContact C-N 3.31Å; S374-K376 PolarHBondContact O-N 3.3Å
375	L	50.1	Low	51.7	Low	150 Å²	150	143.4 Å²	143.4	79%	0.785	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-2.3	-173.7	-69.3	169.4	0	0	0	115.3
376	K	53.5	Low	51.9	Low	187 Å²	187	143.8 Å²	143.8	81%	0.813	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	1.7	-175.8	-75.9	-172.7	175.9	-177	0	115.5	S374	S374-K376 VanDerWaalsContact C-N 3.31Å; S374-K376 PolarHBondContact O-N 3.3Å
377	K	60.5	Low	51.7	Low	186 Å²	186	141.4 Å²	141.4	81%	0.809	73%	0.727	S	S	*	*	S	Bend	trans	-139.3	80.5	-176.3	-80.6	171.1	174.1	175.6	0	112.6
378	S	54.5	Low	50.8	Low	133 Å²	133	139.7 Å²	139.7	93%	0.93	73%	0.726	S	S	*	*			trans	174.6	132.5	132	34.4	0	0	0	0	112.4
379	N	49.4	Very low	50.5	Low	164 Å²	164	144 Å²	144	88%	0.877	75%	0.745	S	S	*	*			trans	-125.1	138	-179.9	176.2	20.8	0	0	0	105.8
380	S	39.2	Very low	49.8	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	76%	0.756	S	S	*	*			trans	158.6	135.4	168.9	172.2	0	0	0	0	109.1
381	F	38.1	Very low	49.7	Very low	148 Å²	148	146 Å²	146	65%	0.649	75%	0.751	S	S	*	*			cis	-175.6	131.8	7.2	160.2	-80.8	0	0	0	109.7
382	K	42	Very low	50	Low	155 Å²	155	149.3 Å²	149.3	67%	0.674	76%	0.755	S	S	*	*			trans	48.8	143	141.5	-50.3	-171.5	-166.1	171	0	125.4
383	K	44.1	Very low	50.3	Low	182 Å²	182	151 Å²	151	79%	0.791	76%	0.762	S	S	*	*				89.4	136.8	129.8	-104.4	173.3	145.4	169.9	0	117.6
384	T	38.9	Very low	50.5	Low	113 Å²	113	146 Å²	146	69%	0.693	75%	0.752	S	S	*	*			cis	-166.1	146.2	11.6	-32.2	0	0	0	0	112.6
385	Q	35.3	Very low	51.6	Low	188 Å²	188	145 Å²	145	88%	0.879	74%	0.74	S	S	*	*			trans	70.3	145.7	148.5	-93.5	-153.9	-36.3	0	0	126.7
386	P	61.7	Low	52.8	Low	103 Å²	103	143.3 Å²	143.3	67%	0.669	73%	0.726	S	S	*	*			trans	-100.2	171.1	-155.7	46.1	-41.4	0	0	0	113.4
387	P	48.7	Very low	53.5	Low	101 Å²	101	139.7 Å²	139.7	66%	0.656	71%	0.713	S	S	*	*				-138	168.2	51.7	21.1	7.4	0	0	0	112.6
388	F	38	Very low	54.6	Low	185 Å²	185	136 Å²	136	81%	0.811	70%	0.699	S	S	*	*				-162	140.1	61.1	-90.9	-94.2	0	0	0	109.4	L390	F388-L390 PolarHBondContact O-N 3.47Å; F388-L390 VanDerWaalsContact O-N 3.09Å
389	L	54.1	Low	56	Low	172 Å²	172	135.2 Å²	135.2	90%	0.901	68%	0.68	S	S	*	*			trans	-65.7	103.3	174.5	-62.5	167.5	0	0	0	109.2
390	L	42.6	Very low	57.4	Low	153 Å²	153	134.1 Å²	134.1	80%	0.801	67%	0.665	S	S	*	*			trans	-88.1	102.5	160.3	-72.2	171.6	0	0	0	106.7	F388 R392	F388-L390 PolarHBondContact O-N 3.47Å; F388-L390 VanDerWaalsContact O-N 3.09Å; L390-R392 PolarHBondContact O-N 3.24Å
391	T	59.3	Low	59.4	Low	88 Å²	88	132 Å²	132	54%	0.54	65%	0.647	S	S	.	*			trans	-48	112.5	166.5	18.5	0	0	0	0	107.6	D395	T391-D395 WeakPolarHBondContact CA-OD2 3.23Å; T391-D395 HydrophobicContact CG2-CB 3.67Å; T391-D395 WeakPolarHBondContact CG2-OD2 3.35Å
392	R	61.9	Low	61.4	Low	197 Å²	197	130.1 Å²	130.1	74%	0.743	64%	0.64	S	S	*	*			trans	-68.6	162.3	-177.7	-63.3	-172	86.6	169.2	1.7	108.2	L390 D394 D395 K396	L390-R392 PolarHBondContact O-N 3.24Å; R392-D394 PolarHBondContact O-N 3.2Å; R392-D395 WeakPolarHBondContact O-CB 3.31Å; R392-D395 PolarHBondContact O-N 2.92Å; R392-K396 PolarHBondContact O-N 3.17Å; R392-K396 VanDerWaalsContact O-N 3.16Å
393	I	63.7	Low	63	Low	143 Å²	143	125 Å²	125	73%	0.733	63%	0.627	S	S	*	*	H	α-helix	trans	-53	-30.2	-176.2	-65.3	163.7	0	0	0	111.1	K396 M397	I393-K396 PolarHBondContact O-N 3.08Å; I393-M397 VanDerWaalsContact O-CB 3.25Å; I393-M397 WeakPolarHBondContact O-CB 3.4Å; I393-M397 PolarHBondContact O-N 3.1Å
394	D	69.4	Low	64.3	Low	113 Å²	113	120.9 Å²	120.9	60%	0.604	62%	0.617	S	S	*	*	H	α-helix	trans	-64.7	-45.7	173.1	-61.1	-27.1	0	0	0	113	R392 K396 M397 E398	R392-D394 PolarHBondContact O-N 3.2Å; D394-K396 VanDerWaalsContact C-N 3.26Å; D394-K396 PolarHBondContact O-N 3.41Å; D394-M397 PolarHBondContact O-N 2.89Å; D394-M397 VanDerWaalsContact O-N 3.14Å; D394-E398 VanDerWaalsContact O-CB 3.27Å; D394-E398 WeakPolarHBondContact O-CB 3.45Å; D394-E398 PolarHBondContact O-N 2.86Å
395	D	77.9	Confident	66.1	Low	73 Å²	73	120.3 Å²	120.3	39%	0.39	61%	0.606	S	S	.	*	H	α-helix	trans	-60.1	-38.8	173.2	-78.5	-34.2	0	0	0	111.1	T391 R392 Q399	T391-D395 WeakPolarHBondContact CA-OD2 3.23Å; T391-D395 HydrophobicContact CG2-CB 3.67Å; T391-D395 WeakPolarHBondContact CG2-OD2 3.35Å; R392-D395 WeakPolarHBondContact O-CB 3.31Å; R392-D395 PolarHBondContact O-N 2.92Å; D395-Q399 VanDerWaalsContact O-CB 3.26Å; D395-Q399 WeakPolarHBondContact O-CB 3.26Å; D395-Q399 WeakPolarHBondContact O-CG 3.37Å; D395-Q399 PolarHBondContact O-N 3.37Å
396	K	75.1	Confident	67.7	Low	114 Å²	114	118.8 Å²	118.8	50%	0.496	60%	0.597	S	S	.	*	H	α-helix	trans	-70.2	-37.6	178.5	-162.7	-172.9	-174.3	-169.1	0	110.8	R392 I393 D394 Q399 Y400	R392-K396 PolarHBondContact O-N 3.17Å; R392-K396 VanDerWaalsContact O-N 3.16Å; I393-K396 PolarHBondContact O-N 3.08Å; D394-K396 VanDerWaalsContact C-N 3.26Å; D394-K396 PolarHBondContact O-N 3.41Å; K396-Q399 PolarHBondContact O-N 3.41Å; K396-Y400 HydrophobicContact CD-CE2 3.96Å; K396-Y400 HydrophobicContact CG-CD2 4.09Å; K396-Y400 HydrophobicContact CG-CE2 3.76Å; K396-Y400 WeakPolarHBondContact O-CD2 3.38Å; K396-Y400 PolarHBondContact O-N 2.82Å
397	M	70.1	Confident	67.7	Low	111 Å²	111	117.5 Å²	117.5	55%	0.547	59%	0.587	S	S	.	*	H	α-helix	trans	-71.8	-41.4	179.1	-162.4	-171.5	67.3	0	0	110.7	I393 D394 Q399 Y400 T401	I393-M397 VanDerWaalsContact O-CB 3.25Å; I393-M397 WeakPolarHBondContact O-CB 3.4Å; I393-M397 PolarHBondContact O-N 3.1Å; D394-M397 PolarHBondContact O-N 2.89Å; D394-M397 VanDerWaalsContact O-N 3.14Å; M397-Q399 VanDerWaalsContact C-N 3.33Å; M397-Q399 PolarHBondContact O-N 3.47Å; M397-Y400 CarbonylContact O-C 3.58Å; M397-Y400 WeakPolarHBondContact O-CB 3.31Å; M397-Y400 PolarHBondContact O-N 3.32Å; M397-Y400 VanDerWaalsContact O-N 3.1Å; M397-T401 PolarHBondContact O-N 2.91Å; M397-T401 PolarHBondContact O-OG1 2.98Å
398	E	83.2	Confident	68.2	Low	109 Å²	109	116 Å²	116	51%	0.509	58%	0.579	S	S	.	*	H	α-helix	trans	-64.7	-36.8	172.8	-165.8	166.9	-154.2	0	0	111.2	D394 T401 H402	D394-E398 VanDerWaalsContact O-CB 3.27Å; D394-E398 WeakPolarHBondContact O-CB 3.45Å; D394-E398 PolarHBondContact O-N 2.86Å; E398-T401 PolarHBondContact O-N 3.47Å; E398-H402 WeakPolarHBondContact O-CB 3.32Å; E398-H402 PolarHBondContact O-CD2 2.86Å; E398-H402 VanDerWaalsContact O-CD2 3.27Å; E398-H402 PolarHBondContact O-N 3.46Å
399	Q	83.2	Confident	69	Low	116 Å²	116	114.1 Å²	114.1	54%	0.542	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-37.4	168.8	-77.6	172.6	34.5	0	0	113	D395 K396 M397 A403	D395-Q399 VanDerWaalsContact O-CB 3.26Å; D395-Q399 WeakPolarHBondContact O-CB 3.26Å; D395-Q399 WeakPolarHBondContact O-CG 3.37Å; D395-Q399 PolarHBondContact O-N 3.37Å; K396-Q399 PolarHBondContact O-N 3.41Å; M397-Q399 VanDerWaalsContact C-N 3.33Å; M397-Q399 PolarHBondContact O-N 3.47Å; Q399-A403 WeakPolarHBondContact O-CB 3.44Å; Q399-A403 PolarHBondContact O-N 2.86Å
400	Y	78.6	Confident	68.8	Low	141 Å²	141	111.7 Å²	111.7	55%	0.553	56%	0.557	S	S	*	*	H	α-helix	trans	-69	-41.3	173.6	-82.4	-64.3	0	0	0	111.7	K396 M397 A403 V404	K396-Y400 HydrophobicContact CD-CE2 3.96Å; K396-Y400 HydrophobicContact CG-CD2 4.09Å; K396-Y400 HydrophobicContact CG-CE2 3.76Å; K396-Y400 WeakPolarHBondContact O-CD2 3.38Å; K396-Y400 PolarHBondContact O-N 2.82Å; M397-Y400 CarbonylContact O-C 3.58Å; M397-Y400 WeakPolarHBondContact O-CB 3.31Å; M397-Y400 PolarHBondContact O-N 3.32Å; M397-Y400 VanDerWaalsContact O-N 3.1Å; Y400-A403 PolarHBondContact O-N 3.42Å; Y400-V404 WeakPolarHBondContact O-CB 3.42Å; Y400-V404 VanDerWaalsContact O-CG2 3.24Å; Y400-V404 WeakPolarHBondContact O-CG2 3.35Å; Y400-V404 PolarHBondContact O-N 3.49Å
401	T	81.8	Confident	69.2	Low	66 Å²	66	111.8 Å²	111.8	41%	0.405	56%	0.557	S	S	.	*	H	α-helix	trans	-59.9	-50.3	175.1	-54.8	0	0	0	0	110	M397 E398 A403 V404 E405	M397-T401 PolarHBondContact O-N 2.91Å; M397-T401 PolarHBondContact O-OG1 2.98Å; E398-T401 PolarHBondContact O-N 3.47Å; T401-A403 VanDerWaalsContact C-N 3.34Å; T401-A403 PolarHBondContact O-N 2.86Å; T401-V404 PolarHBondContact O-N 3.42Å; T401-E405 WeakPolarHBondContact O-CB 3.31Å; T401-E405 WeakPolarHBondContact O-CG 3.32Å; T401-E405 PolarHBondContact O-N 2.85Å
402	H	80.1	Confident	68.7	Low	110 Å²	110	118.5 Å²	118.5	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-65.3	-32.4	175.9	-76.3	-46.7	0	0	0	113.5	E398 E405 K406	E398-H402 WeakPolarHBondContact O-CB 3.32Å; E398-H402 PolarHBondContact O-CD2 2.86Å; E398-H402 VanDerWaalsContact O-CD2 3.27Å; E398-H402 PolarHBondContact O-N 3.46Å; H402-E405 IonicContact ND1-OE2 3.42Å; H402-E405 PolarHBondContact ND1-OE2 2.8Å; H402-K406 WeakPolarHBondContact O-CB 3.31Å; H402-K406 PolarHBondContact O-N 3.04Å
403	A	75.1	Confident	68	Low	48 Å²	48	112.2 Å²	112.2	40%	0.397	56%	0.562	S	S	.	*	H	α-helix	trans	-70.7	-38.9	174.9	0	0	0	0	0	112.1	Q399 Y400 T401 T407	Q399-A403 WeakPolarHBondContact O-CB 3.44Å; Q399-A403 PolarHBondContact O-N 2.86Å; Y400-A403 PolarHBondContact O-N 3.42Å; T401-A403 VanDerWaalsContact C-N 3.34Å; T401-A403 PolarHBondContact O-N 2.86Å; A403-T407 WeakPolarHBondContact O-CB 3.42Å; A403-T407 WeakPolarHBondContact O-CG2 3.42Å; A403-T407 PolarHBondContact O-N 2.95Å; A403-T407 PolarHBondContact O-OG1 2.74Å
404	V	71	Confident	67	Low	94 Å²	94	110.7 Å²	110.7	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-68.2	-41.9	175.4	171.4	0	0	0	0	110.4	Y400 T401 T407 S408	Y400-V404 WeakPolarHBondContact O-CB 3.42Å; Y400-V404 VanDerWaalsContact O-CG2 3.24Å; Y400-V404 WeakPolarHBondContact O-CG2 3.35Å; Y400-V404 PolarHBondContact O-N 3.49Å; T401-V404 PolarHBondContact O-N 3.42Å; V404-T407 WeakPolarHBondContact CA-OG1 3.2Å; V404-T407 PolarHBondContact O-OG1 3.31Å; V404-S408 WeakPolarHBondContact O-CB 3.22Å; V404-S408 PolarHBondContact O-N 3.32Å; V404-S408 PolarHBondContact O-OG 3.36Å
405	E	77.7	Confident	65.9	Low	102 Å²	102	115.5 Å²	115.5	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-64.2	-46.7	174.4	-74.2	175.5	162.4	0	0	111.5	T401 H402 T407 S408 Q409	T401-E405 WeakPolarHBondContact O-CB 3.31Å; T401-E405 WeakPolarHBondContact O-CG 3.32Å; T401-E405 PolarHBondContact O-N 2.85Å; H402-E405 IonicContact ND1-OE2 3.42Å; H402-E405 PolarHBondContact ND1-OE2 2.8Å; E405-T407 PolarHBondContact O-N 2.97Å; E405-S408 PolarHBondContact O-N 3.21Å; E405-S408 PolarHBondContact O-OG 3.22Å; E405-Q409 PolarHBondContact O-N 3.23Å
406	K	68.7	Low	64.4	Low	155 Å²	155	115.5 Å²	115.5	67%	0.674	59%	0.585	S	S	*	*	H	α-helix	trans	-66	-37.4	-179.8	-161.7	173.6	-173.7	-178.8	0	112.6	H402 Q409 E410	H402-K406 WeakPolarHBondContact O-CB 3.31Å; H402-K406 PolarHBondContact O-N 3.04Å; K406-Q409 PolarHBondContact O-N 3.46Å; K406-E410 WeakPolarHBondContact O-CB 3.37Å; K406-E410 PolarHBondContact O-N 3Å
407	T	61.2	Low	62.3	Low	76 Å²	76	115.9 Å²	115.9	47%	0.466	60%	0.602	S	S	.	*	H	α-helix	trans	-70.6	-33.8	173.9	51.6	0	0	0	0	112.4	A403 V404 E405 E410 L411	A403-T407 WeakPolarHBondContact O-CB 3.42Å; A403-T407 WeakPolarHBondContact O-CG2 3.42Å; A403-T407 PolarHBondContact O-N 2.95Å; A403-T407 PolarHBondContact O-OG1 2.74Å; V404-T407 WeakPolarHBondContact CA-OG1 3.2Å; V404-T407 PolarHBondContact O-OG1 3.31Å; E405-T407 PolarHBondContact O-N 2.97Å; T407-E410 PolarHBondContact O-N 3.23Å; T407-L411 WeakPolarHBondContact O-CD1 3.24Å; T407-L411 PolarHBondContact O-N 2.91Å
408	S	59.3	Low	60.9	Low	70 Å²	70	118 Å²	118	49%	0.49	62%	0.615	S	S	.	*	H	α-helix	trans	-70.9	-31.8	173.4	78.1	0	0	0	0	112.9	V404 E405	V404-S408 WeakPolarHBondContact O-CB 3.22Å; V404-S408 PolarHBondContact O-N 3.32Å; V404-S408 PolarHBondContact O-OG 3.36Å; E405-S408 PolarHBondContact O-N 3.21Å; E405-S408 PolarHBondContact O-OG 3.22Å
409	Q	55	Low	59.2	Low	145 Å²	145	118.4 Å²	118.4	68%	0.678	63%	0.625	S	S	*	*	H	α-helix	trans	-75.2	-33.6	173.4	-124.1	179.5	19	0	0	111.9	E405 K406 L411 R412 A413	E405-Q409 PolarHBondContact O-N 3.23Å; K406-Q409 PolarHBondContact O-N 3.46Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 2.89Å; Q409-R412 CarbonylContact O-C 3.49Å; Q409-R412 WeakPolarHBondContact O-CA 3.27Å; Q409-R412 WeakPolarHBondContact O-CB 3.38Å; Q409-R412 PolarHBondContact O-N 3.45Å; Q409-A413 PolarHBondContact O-N 3.4Å
410	E	50.7	Low	56.8	Low	122 Å²	122	120 Å²	120	57%	0.57	64%	0.638	S	S	*	*	H	α-helix	trans	-65.8	-35.4	175.4	-164.2	166.7	-168.5	0	0	111.7	K406 T407 R412 A413 V414	K406-E410 WeakPolarHBondContact O-CB 3.37Å; K406-E410 PolarHBondContact O-N 3Å; T407-E410 PolarHBondContact O-N 3.23Å; E410-R412 PolarHBondContact O-N 3.49Å; E410-A413 CarbonylContact O-C 3.57Å; E410-A413 PolarHBondContact O-N 2.91Å; E410-V414 HydrophobicContact CG-CG2 4.22Å; E410-V414 WeakPolarHBondContact O-CG2 3.43Å; E410-V414 PolarHBondContact O-N 2.97Å
411	L	49.2	Very low	55.3	Low	154 Å²	154	120.6 Å²	120.6	81%	0.806	65%	0.65	S	S	*	*	H	α-helix	trans	-65.4	-19.7	169.5	-96.2	103.9	0	0	0	114.1	T407 Q409	T407-L411 WeakPolarHBondContact O-CD1 3.24Å; T407-L411 PolarHBondContact O-N 2.91Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 2.89Å
412	R	49.3	Very low	53.7	Low	230 Å²	230	123.4 Å²	123.4	87%	0.868	67%	0.669	S	S	*	*	H	α-helix	trans	-91.7	-16.8	171.7	-69.2	-88.4	-168.5	147	2.9	112.5	Q409 E410	Q409-R412 CarbonylContact O-C 3.49Å; Q409-R412 WeakPolarHBondContact O-CA 3.27Å; Q409-R412 WeakPolarHBondContact O-CB 3.38Å; Q409-R412 PolarHBondContact O-N 3.45Å; E410-R412 PolarHBondContact O-N 3.49Å
413	A	48.7	Very low	51.3	Low	64 Å²	64	125 Å²	125	53%	0.529	68%	0.681	S	S	.	*	H	α-helix	trans	-102.2	-10	-179.9	0	0	0	0	0	114.6	Q409 E410 K415 A416	Q409-A413 PolarHBondContact O-N 3.4Å; E410-A413 CarbonylContact O-C 3.57Å; E410-A413 PolarHBondContact O-N 2.91Å; A413-K415 PolarHBondContact O-N 3.23Å; A413-A416 PolarHBondContact O-N 2.87Å
414	V	41.2	Very low	49.3	Very low	111 Å²	111	127.3 Å²	127.3	67%	0.673	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	47	171.6	176.2	0	0	0	0	112	E410	E410-V414 HydrophobicContact CG-CG2 4.22Å; E410-V414 WeakPolarHBondContact O-CG2 3.43Å; E410-V414 PolarHBondContact O-N 2.97Å
415	K	47	Very low	48.2	Very low	214 Å²	214	128.2 Å²	128.2	93%	0.93	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	10.8	152.5	-85.1	-173.5	174.3	179.4	0	112.4	A413	A413-K415 PolarHBondContact O-N 3.23Å
416	A	46.7	Very low	46.1	Very low	73 Å²	73	132.1 Å²	132.1	60%	0.603	72%	0.721	S	S	*	*	S	Bend	trans	-142.7	128.7	170	0	0	0	0	0	113.3	A413	A413-A416 PolarHBondContact O-N 2.87Å
417	S	30.6	Very low	44.9	Very low	122 Å²	122	128.9 Å²	128.9	85%	0.853	72%	0.722	S	S	*	*			trans	67.8	115.1	169.5	65.4	0	0	0	0	117.3
418	L	40.5	Very low	43.7	Very low	156 Å²	156	132 Å²	132	82%	0.817	74%	0.741	S	S	*	*			cis	83.7	111.1	46.2	-170.3	62.1	0	0	0	114.4
419	T	46.8	Very low	42.8	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	75%	0.751	S	S	*	*			trans	59.9	138.2	165.6	29.8	0	0	0	0	116
420	D	34.4	Very low	42.2	Very low	151 Å²	151	132 Å²	132	81%	0.807	76%	0.757	S	S	*	*			cis	-176.5	154.7	41	-147	-9.1	0	0	0	108.4
421	L	45.7	Very low	42.1	Very low	153 Å²	153	136.1 Å²	136.1	80%	0.801	77%	0.773	S	S	*	*			trans	-91.8	154.9	169.4	-94.8	112.7	0	0	0	110.5
422	P	48.4	Very low	42.4	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	77%	0.773	S	S	*	*				-144.4	128.6	111.6	31.7	-14	0	0	0	116.1
423	N	29.5	Very low	42.7	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	77%	0.772	S	S	*	*				30.6	108.2	129.1	-159.6	48.7	0	0	0	122.4
424	S	32.9	Very low	43.4	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	78%	0.78	S	S	*	*				58.2	160.1	124.6	-158.8	0	0	0	0	121.7
425	P	49.3	Very low	43.7	Very low	113 Å²	113	141.9 Å²	141.9	73%	0.734	79%	0.791	S	S	*	*			cis	-135.6	175.7	-0.6	23	3.1	0	0	0	117.5
426	E	33.4	Very low	44.1	Very low	184 Å²	184	141 Å²	141	86%	0.86	79%	0.79	S	S	*	*			trans	121.8	95.5	136.4	-150.6	164.9	-168.3	0	0	119
427	A	43.4	Very low	44	Very low	86 Å²	86	142.8 Å²	142.8	71%	0.711	81%	0.805	S	S	*	*			trans	20.3	145.6	141.3	0	0	0	0	0	120
428	V	35.3	Very low	44.5	Very low	141 Å²	141	140.4 Å²	140.4	86%	0.855	80%	0.799	S	S	*	*				-161.7	152.4	60.3	-158.8	0	0	0	0	112.5
429	S	40.1	Very low	44.4	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	81%	0.806	S	S	*	*			trans	101	70.6	139.2	-173.7	0	0	0	0	120.9
430	S	43.7	Very low	44	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	80%	0.803	S	S	*	*				35.5	100.4	121.7	-53.2	0	0	0	0	121.7
431	K	47	Very low	43.9	Very low	210 Å²	210	145.4 Å²	145.4	91%	0.913	81%	0.809	S	S	*	*				-141.7	114.6	127.5	-76.3	-166.2	178.3	174.7	0	109
432	K	55.8	Low	43.3	Very low	185 Å²	185	143.2 Å²	143.2	80%	0.804	81%	0.806	S	S	*	*			trans	-75.9	121.5	-169.7	-171.7	175.3	74.8	-179.7	0	111.9
433	N	56.4	Low	43.2	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	80%	0.799	S	S	*	*			trans	-72.6	134.7	160.1	-77.4	-52.1	0	0	0	109.4
434	L	62.7	Low	43.1	Very low	136 Å²	136	142.4 Å²	142.4	71%	0.712	80%	0.801	S	S	*	*	S	Bend	trans	-102.4	25.8	-171.4	-168.4	59.5	0	0	0	113.7
435	F	47.2	Very low	43.3	Very low	202 Å²	202	147.3 Å²	147.3	89%	0.886	81%	0.81	S	S	*	*			trans	-138.3	64.8	176.7	-70.5	-78.9	0	0	0	111.6
436	E	56.6	Low	42.4	Very low	195 Å²	195	145.4 Å²	145.4	91%	0.911	81%	0.81	S	S	*	*			trans	-156.6	87.7	154.9	-139.4	167.2	-172.3	0	0	108.4
437	A	44.4	Very low	42.4	Very low	111 Å²	111	141.3 Å²	141.3	92%	0.917	81%	0.808	S	S	*	*			trans	-141.8	90.9	167.6	0	0	0	0	0	106.7
438	G	40.5	Very low	41.9	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	81%	0.814	S	S	*	*			trans	-160.5	43.1	-178.1	0	0	0	0	0	112
439	E	37.8	Very low	41.7	Very low	203 Å²	203	142.7 Å²	142.7	95%	0.949	81%	0.812	S	S	*	*			trans	-153.5	131.2	157.2	-109.5	166	-160	0	0	109.5
440	A	39.5	Very low	41.3	Very low	80 Å²	80	148.2 Å²	148.2	66%	0.661	82%	0.817	S	S	*	*			trans	-97.4	-178.8	-167.3	0	0	0	0	0	112.6
441	W	32.6	Very low	40.7	Very low	246 Å²	246	148.8 Å²	148.8	93%	0.932	81%	0.811	S	S	*	*			trans	88.4	122.6	173.8	-53.9	80.1	0	0	0	113.7
442	S	32.6	Very low	40.2	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	81%	0.805	S	S	*	*			cis	-166.1	178.5	22.4	-127.4	0	0	0	0	110.8
443	P	45.7	Very low	39.4	Very low	103 Å²	103	139.5 Å²	139.5	67%	0.669	80%	0.803	S	S	*	*			trans	-98.6	150.1	-157.2	37.8	-34	0	0	0	115.9
444	N	29.2	Very low	38.4	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	80%	0.803	S	S	*	*			trans	-177.6	123.4	141.9	-92.8	-38.5	0	0	0	115.3
445	K	35.3	Very low	38	Very low	201 Å²	201	140.1 Å²	140.1	87%	0.874	82%	0.815	S	S	*	*			trans	39.5	130.4	137.8	-57.1	-175.4	-178.6	-178.4	0	123.7
446	G	30.9	Very low	38.1	Very low	72 Å²	72	139.9 Å²	139.9	74%	0.742	81%	0.814	S	S	*	*			trans	118.2	102.2	146	0	0	0	0	0	115.2
447	A	34	Very low	37.8	Very low	98 Å²	98	137.1 Å²	137.1	81%	0.81	81%	0.81	S	S	*	*				67.5	131.9	96	0	0	0	0	0	113.5
448	T	32.8	Very low	37.8	Very low	137 Å²	137	133.7 Å²	133.7	84%	0.84	79%	0.785	S	S	*	*			cis	-175.7	172.6	10.4	24.2	0	0	0	0	107.8
449	C	30.6	Very low	38.2	Very low	119 Å²	119	135.6 Å²	135.6	80%	0.804	78%	0.782	S	S	*	*			trans	97.4	94.3	154.8	-147.3	0	0	0	0	115.5
450	R	32.1	Very low	38.9	Very low	215 Å²	215	129.3 Å²	129.3	81%	0.811	77%	0.765	S	S	*	*				86.8	122.9	72.2	-86	-95.5	-136.8	-150.2	-0.7	113.4
451	D	31.1	Very low	39.5	Very low	129 Å²	129	128.1 Å²	128.1	69%	0.69	75%	0.752	S	S	*	*			trans	63.6	135.2	143	-87.3	-10.8	0	0	0	118.9
452	T	36.3	Very low	40.8	Very low	125 Å²	125	121.5 Å²	121.5	77%	0.767	74%	0.735	S	S	*	*			cis	-159.2	156	12.3	29.1	0	0	0	0	108.7
453	G	39.4	Very low	41.9	Very low	75 Å²	75	121.4 Å²	121.4	77%	0.773	72%	0.724	S	S	*	*			trans	81.1	76.5	141.7	0	0	0	0	0	118.5
454	S	35.2	Very low	42.5	Very low	121 Å²	121	120.9 Å²	120.9	85%	0.846	72%	0.719	S	S	*	*				-165.9	132.1	129.8	42.9	0	0	0	0	111.5	K456	S454-K456 PolarHBondContact O-N 3.01Å
455	L	54.2	Low	43.7	Very low	184 Å²	184	119.6 Å²	119.6	96%	0.963	71%	0.708	S	S	*	*			trans	-58.3	95.4	-175.7	-158.5	74.8	0	0	0	111.5
456	K	50.4	Low	44.5	Very low	198 Å²	198	120 Å²	120	86%	0.861	71%	0.705	S	S	*	*			trans	-156.1	78.5	169.9	-149.8	170.6	-170.6	176.8	0	111.9	S454 G458	S454-K456 PolarHBondContact O-N 3.01Å; K456-G458 PolarHBondContact O-N 2.79Å
457	V	48.4	Very low	45.7	Very low	136 Å²	136	122.4 Å²	122.4	82%	0.824	71%	0.705	S	S	*	*			trans	-92.3	95.8	166.4	-176.1	0	0	0	0	107.8
458	G	45.2	Very low	46.7	Very low	39 Å²	39	126 Å²	126	40%	0.402	70%	0.702	S	S	.	*			trans	-73.1	156.4	177.8	0	0	0	0	0	113	K456 A460 S461	K456-G458 PolarHBondContact O-N 2.79Å; G458-A460 PolarHBondContact O-N 3.31Å; G458-S461 PolarHBondContact O-N 2.95Å
459	V	48.1	Very low	47.3	Very low	112 Å²	112	122.4 Å²	122.4	68%	0.679	69%	0.692	S	S	*	*	H	α-helix	trans	-46.7	-21.9	169.9	177.7	0	0	0	0	113.3	S461 L462 I463	V459-S461 VanDerWaalsContact C-N 3.33Å; V459-S461 PolarHBondContact O-N 3.46Å; V459-L462 PolarHBondContact O-N 2.93Å; V459-I463 HydrophobicContact CG1-CD1 4.12Å; V459-I463 WeakPolarHBondContact O-CG1 3.25Å; V459-I463 PolarHBondContact O-N 3.42Å
460	A	53.4	Low	48.1	Very low	71 Å²	71	123 Å²	123	59%	0.587	69%	0.694	S	S	*	*	H	α-helix	trans	-64.5	-30.4	177.3	0	0	0	0	0	114	G458 T464	G458-A460 PolarHBondContact O-N 3.31Å; A460-T464 PolarHBondContact O-OG1 3.37Å
461	S	52.1	Low	48.2	Very low	55 Å²	55	118.3 Å²	118.3	39%	0.385	69%	0.694	S	S	.	*	H	α-helix	trans	-65	-56.4	172.1	-64	0	0	0	0	108.2	G458 V459 I463 T464 H465	G458-S461 PolarHBondContact O-N 2.95Å; V459-S461 VanDerWaalsContact C-N 3.33Å; V459-S461 PolarHBondContact O-N 3.46Å; S461-I463 PolarHBondContact O-N 2.86Å; S461-T464 WeakPolarHBondContact O-CA 3.48Å; S461-T464 WeakPolarHBondContact O-CB 3.15Å; S461-T464 PolarHBondContact O-N 3.27Å; S461-T464 PolarHBondContact O-OG1 2.86Å; S461-H465 WeakPolarHBondContact CB-NE2 3.27Å; S461-H465 PolarHBondContact O-CD2 2.85Å; S461-H465 PolarHBondContact O-N 2.84Å; S461-H465 PolarHBondContact O-NE2 2.78Å
462	L	60.3	Low	48.6	Very low	108 Å²	108	120.9 Å²	120.9	57%	0.565	70%	0.702	S	S	*	*	H	α-helix	trans	-47.2	-42.7	-176.2	-171.6	59.8	0	0	0	113.2	V459 T464 H465	V459-L462 PolarHBondContact O-N 2.93Å; L462-T464 VanDerWaalsContact C-N 3.32Å; L462-T464 PolarHBondContact O-N 2.82Å; L462-H465 WeakPolarHBondContact CA-CD2 3.1Å; L462-H465 PolarHBondContact N-CD2 3.25Å; L462-H465 PolarHBondContact N-NE2 2.88Å; L462-H465 PolarHBondContact O-CD2 3.31Å; L462-H465 PolarHBondContact O-N 3.37Å
463	I	55.1	Low	48.8	Very low	103 Å²	103	120.5 Å²	120.5	53%	0.528	70%	0.702	S	S	.	*	H	α-helix	trans	-62.5	-37	179.3	-64.8	166.2	0	0	0	112.1	V459 S461 H465 W466	V459-I463 HydrophobicContact CG1-CD1 4.12Å; V459-I463 WeakPolarHBondContact O-CG1 3.25Å; V459-I463 PolarHBondContact O-N 3.42Å; S461-I463 PolarHBondContact O-N 2.86Å; I463-H465 VanDerWaalsContact C-N 3.34Å; I463-H465 PolarHBondContact O-N 3.26Å; I463-W466 PolarHBondContact O-N 3.38Å
464	T	58	Low	48.4	Very low	92 Å²	92	121.7 Å²	121.7	56%	0.564	70%	0.698	S	S	*	*	H	α-helix	trans	-71.6	-29.2	-178.6	-39.4	0	0	0	0	112	A460 S461 L462 W466 V467 K468	A460-T464 PolarHBondContact O-OG1 3.37Å; S461-T464 WeakPolarHBondContact O-CA 3.48Å; S461-T464 WeakPolarHBondContact O-CB 3.15Å; S461-T464 PolarHBondContact O-N 3.27Å; S461-T464 PolarHBondContact O-OG1 2.86Å; L462-T464 VanDerWaalsContact C-N 3.32Å; L462-T464 PolarHBondContact O-N 2.82Å; T464-W466 VanDerWaalsContact C-N 3.31Å; T464-W466 PolarHBondContact O-N 3.39Å; T464-V467 PolarHBondContact O-N 2.97Å; T464-K468 PolarHBondContact O-N 2.8Å
465	H	55.3	Low	48.3	Very low	121 Å²	121	119.6 Å²	119.6	56%	0.56	68%	0.684	S	S	*	*	H	α-helix	trans	-74.6	-18.3	176.7	-38.5	-115	0	0	0	112.8	S461 L462 I463	S461-H465 WeakPolarHBondContact CB-NE2 3.27Å; S461-H465 PolarHBondContact O-CD2 2.85Å; S461-H465 PolarHBondContact O-N 2.84Å; S461-H465 PolarHBondContact O-NE2 2.78Å; L462-H465 WeakPolarHBondContact CA-CD2 3.1Å; L462-H465 PolarHBondContact N-CD2 3.25Å; L462-H465 PolarHBondContact N-NE2 2.88Å; L462-H465 PolarHBondContact O-CD2 3.31Å; L462-H465 PolarHBondContact O-N 3.37Å; I463-H465 VanDerWaalsContact C-N 3.34Å; I463-H465 PolarHBondContact O-N 3.26Å
466	W	51.4	Low	47.4	Very low	211 Å²	211	119.8 Å²	119.8	80%	0.799	68%	0.677	S	S	*	*	H	α-helix	trans	-78.2	-25.6	170.5	-70.9	95	0	0	0	112.4	I463 T464	I463-W466 PolarHBondContact O-N 3.38Å; T464-W466 VanDerWaalsContact C-N 3.31Å; T464-W466 PolarHBondContact O-N 3.39Å
467	V	56.7	Low	46.5	Very low	122 Å²	122	119.6 Å²	119.6	74%	0.739	68%	0.679	S	S	*	*	H	α-helix	trans	-88.5	-19.1	-178.4	174.9	0	0	0	0	112.4	T464	T464-V467 PolarHBondContact O-N 2.97Å
468	K	54.7	Low	45.7	Very low	174 Å²	174	118.4 Å²	118.4	76%	0.757	68%	0.677	S	S	*	*	S	Bend	trans	-132.8	99.9	177.7	-152.5	89.4	158.9	-172.2	0	108.4	T464	T464-K468 PolarHBondContact O-N 2.8Å
469	G	46.4	Very low	45.7	Very low	60 Å²	60	122.2 Å²	122.2	62%	0.619	69%	0.694	S	S	*	*			trans	-52.9	153.7	-176.3	0	0	0	0	0	113.8	S471	G469-S471 PolarHBondContact O-N 3.1Å
470	P	46.9	Very low	44.8	Very low	133 Å²	133	123.2 Å²	123.2	86%	0.864	71%	0.705	S	S	*	*			trans	-74.1	120.5	-168.6	28.1	-32.9	0	0	0	112.3
471	S	34.4	Very low	44	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	71%	0.709	S	S	*	*			trans	-94.5	115.1	157.3	56.7	0	0	0	0	109.2	G469	G469-S471 PolarHBondContact O-N 3.1Å
472	E	39.5	Very low	43	Very low	184 Å²	184	131.9 Å²	131.9	86%	0.86	73%	0.73	S	S	*	*			trans	-70.1	149.5	170.7	-102.1	-163.3	167.9	0	0	111.9
473	P	40.4	Very low	41.7	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	74%	0.735	S	S	*	*				-146.1	140	92.5	34	-15.9	0	0	0	117.2
474	S	31.2	Very low	40.7	Very low	100 Å²	100	132 Å²	132	70%	0.699	74%	0.74	S	S	*	*				40	138	122	-151.1	0	0	0	0	119.3
475	S	31.7	Very low	39.7	Very low	78 Å²	78	134.3 Å²	134.3	55%	0.545	75%	0.754	S	S	.	*			cis	-177.9	143.9	19.6	-116.4	0	0	0	0	110.8
476	K	36	Very low	38.7	Very low	187 Å²	187	138.4 Å²	138.4	81%	0.813	76%	0.764	S	S	*	*			trans	66.3	134.7	138	-55.8	170.2	-173.3	-179.5	0	119.4
477	Q	31.9	Very low	38.5	Very low	194 Å²	194	135.1 Å²	135.1	91%	0.907	77%	0.773	S	S	*	*				-156.1	162.1	52.6	-84.3	-179.1	-4.1	0	0	115.4
478	S	31	Very low	38.1	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	77%	0.767	S	S	*	*			trans	-90.9	-158.1	-164.7	-26.8	0	0	0	0	114.9
479	P	45.3	Very low	37.4	Very low	119 Å²	119	127 Å²	127	77%	0.773	76%	0.764	S	S	*	*			cis	-134.4	163.3	-6.1	36.7	-15.9	0	0	0	115.8
480	C	29.8	Very low	37.3	Very low	132 Å²	132	130.6 Å²	130.6	89%	0.892	77%	0.774	S	S	*	*				-178.1	153.6	91.8	-132.1	0	0	0	0	112.7
481	R	35.4	Very low	37.4	Very low	180 Å²	180	131.8 Å²	131.8	68%	0.679	77%	0.772	S	S	*	*			trans	-85.2	167.2	-159.1	-64.9	-172.8	147.5	-167.5	-1.7	116.8	D484	R481-D484 IonicContact CZ-OD2 3.65Å; R481-D484 IonicContact NE-OD2 3.21Å; R481-D484 IonicContact NH2-OD2 2.72Å; R481-D484 PolarHBondContact NH2-OD2 2.92Å
482	P	31.7	Very low	38.2	Very low	128 Å²	128	134.7 Å²	134.7	83%	0.831	77%	0.773	S	S	*	*	S	Bend		-114	142.7	68.1	32.4	-23.7	0	0	0	115.4
483	S	32.5	Very low	38.8	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	77%	0.774	S	S	*	*			trans	-20.8	113.2	179.4	4.4	0	0	0	0	118.5
484	D	34.5	Very low	39.4	Very low	119 Å²	119	136.1 Å²	136.1	64%	0.636	76%	0.764	S	S	*	*				59.3	86.3	77.4	-90	-30	0	0	0	116.5	R481	R481-D484 IonicContact CZ-OD2 3.65Å; R481-D484 IonicContact NE-OD2 3.21Å; R481-D484 IonicContact NH2-OD2 2.72Å; R481-D484 PolarHBondContact NH2-OD2 2.92Å
485	V	37.2	Very low	40.4	Very low	140 Å²	140	134.6 Å²	134.6	85%	0.848	75%	0.749	S	S	*	*			trans	-139.7	98.6	137.3	-177.7	0	0	0	0	109.6
486	R	35	Very low	41.3	Very low	208 Å²	208	138.5 Å²	138.5	79%	0.785	76%	0.76	S	S	*	*			trans	53.6	99.2	153.7	-59	-84.3	-154.9	-178.2	4.8	118.9	G488	R486-G488 PolarHBondContact O-N 3.5Å
487	S	45.8	Very low	42	Very low	141 Å²	141	140.1 Å²	140.1	99%	0.986	76%	0.761	S	S	*	*	S	Bend	trans	-58.3	89.9	139.3	-55.6	0	0	0	0	108.7
488	G	48.3	Very low	43.1	Very low	60 Å²	60	136.8 Å²	136.8	62%	0.619	75%	0.746	S	S	*	*			trans	152.2	61.9	-168.1	0	0	0	0	0	109.9	R486	R486-G488 PolarHBondContact O-N 3.5Å
489	G	41.2	Very low	44	Very low	67 Å²	67	136.5 Å²	136.5	69%	0.691	73%	0.734	S	S	*	*			trans	-168.3	-3.7	-176.6	0	0	0	0	0	115.5
490	V	44	Very low	44.2	Very low	135 Å²	135	138.9 Å²	138.9	82%	0.818	74%	0.739	S	S	*	*			trans	-108.3	45.7	169.2	-163.8	0	0	0	0	109.1
491	L	49.7	Very low	45.3	Very low	157 Å²	157	135.3 Å²	135.3	82%	0.822	73%	0.725	S	S	*	*			trans	-105.7	27.7	173.4	-112.3	149.2	0	0	0	110.8
492	Q	49.6	Very low	45.4	Very low	177 Å²	177	134.6 Å²	134.6	83%	0.827	74%	0.735	S	S	*	*			trans	-152.4	57.9	168.6	-62.3	-164.1	3.7	0	0	111.5	K494	Q492-K494 PolarHBondContact O-N 3.03Å
493	K	52.9	Low	46	Very low	201 Å²	201	133.8 Å²	133.8	87%	0.874	73%	0.729	S	S	*	*			trans	-92.2	62.4	143.4	-98.2	-171.4	170	-175.1	0	107.3	N495	K493-N495 PolarHBondContact O-N 2.76Å; K493-N495 VanDerWaalsContact O-N 3.16Å
494	K	52.5	Low	46.3	Very low	128 Å²	128	135.4 Å²	135.4	56%	0.557	74%	0.741	S	S	*	*			trans	-67.3	112.3	163.5	-104.6	171.7	77.2	161.3	0	106	Q492 M496 I499	Q492-K494 PolarHBondContact O-N 3.03Å; K494-M496 PolarHBondContact O-N 2.8Å; K494-I499 HydrophobicContact CB-CD1 4.27Å
495	N	52.8	Low	46.3	Very low	69 Å²	69	133.7 Å²	133.7	37%	0.369	75%	0.752	S	S	.	*			trans	-35.6	121.9	164.1	-172.5	1.4	0	0	0	109.5	K493 W497 E498	K493-N495 PolarHBondContact O-N 2.76Å; K493-N495 VanDerWaalsContact O-N 3.16Å; N495-W497 PolarHBondContact O-N 2.86Å; N495-W497 WeakPolarHBondContact OD1-CB 3.13Å; N495-W497 VanDerWaalsContact OD1-CD1 3.23Å; N495-W497 PolarHBondContact OD1-N 3.33Å; N495-E498 HydrophobicContact CB-CB 4.16Å; N495-E498 HydrophobicContact CB-CG 3.92Å; N495-E498 PolarHBondContact ND2-OE1 3.14Å; N495-E498 PolarHBondContact O-N 3.47Å
496	M	51.3	Low	46	Very low	160 Å²	160	130.8 Å²	130.8	79%	0.788	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-14.8	175.7	-77.3	-70.5	-62.8	0	0	112.4	K494	K494-M496 PolarHBondContact O-N 2.8Å
497	W	49	Very low	46	Very low	220 Å²	220	128.2 Å²	128.2	83%	0.833	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-6.9	179	-59.2	99.7	0	0	0	114.8	N495	N495-W497 PolarHBondContact O-N 2.86Å; N495-W497 WeakPolarHBondContact OD1-CB 3.13Å; N495-W497 VanDerWaalsContact OD1-CD1 3.23Å; N495-W497 PolarHBondContact OD1-N 3.33Å
498	E	55.2	Low	45.6	Very low	125 Å²	125	128.9 Å²	128.9	58%	0.584	75%	0.745	S	S	*	*	S	Bend	trans	-106.5	1.3	-176.6	-74.9	169.1	-155.6	0	0	114.5	N495	N495-E498 HydrophobicContact CB-CB 4.16Å; N495-E498 HydrophobicContact CB-CG 3.92Å; N495-E498 PolarHBondContact ND2-OE1 3.14Å; N495-E498 PolarHBondContact O-N 3.47Å
499	I	50.2	Low	45.4	Very low	106 Å²	106	132 Å²	132	54%	0.544	75%	0.754	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-8	-175.9	-52.6	-172	0	0	0	113.1	K494 G501	K494-I499 HydrophobicContact CB-CD1 4.27Å; I499-G501 VanDerWaalsContact C-N 3.33Å; I499-G501 PolarHBondContact O-N 2.88Å
500	L	49.6	Very low	45	Very low	168 Å²	168	137.8 Å²	137.8	88%	0.88	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	4.7	-177.8	-72.8	159.7	0	0	0	114.3
501	G	52.7	Low	44.6	Very low	57 Å²	57	135.2 Å²	135.2	59%	0.588	75%	0.753	S	S	*	*	S	Bend	trans	-109.1	-42.6	-159.1	0	0	0	0	0	120.5	I499	I499-G501 VanDerWaalsContact C-N 3.33Å; I499-G501 PolarHBondContact O-N 2.88Å
502	D	36.8	Very low	43.9	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	76%	0.756	S	S	*	*			trans	-148.8	144.1	-167.1	-86.5	-43.5	0	0	0	116.6
503	P	45.3	Very low	43.1	Very low	110 Å²	110	134 Å²	134	71%	0.714	75%	0.751	S	S	*	*			trans	-102	140.8	-179	37.1	-31.9	0	0	0	116.9
504	S	39.5	Very low	42.3	Very low	129 Å²	129	130.7 Å²	130.7	90%	0.902	75%	0.748	S	S	*	*			trans	72.5	146	156.9	81.1	0	0	0	0	119.3
505	G	33.8	Very low	41.9	Very low	84 Å²	84	129.8 Å²	129.8	87%	0.866	76%	0.756	S	S	*	*			cis	167.2	163.7	1.9	0	0	0	0	0	111.9
506	G	30.5	Very low	41.3	Very low	78 Å²	78	133.2 Å²	133.2	80%	0.804	77%	0.769	S	S	*	*			trans	128.1	122.3	168.7	0	0	0	0	0	113.1
507	T	35.8	Very low	40.9	Very low	154 Å²	154	129.2 Å²	129.2	95%	0.945	77%	0.769	S	S	*	*			cis	-153.5	152	32.2	-35.7	0	0	0	0	111.3
508	E	36.5	Very low	41.6	Very low	156 Å²	156	124.5 Å²	124.5	73%	0.729	75%	0.754	S	S	*	*			trans	-85.6	169.3	-165.2	-105.8	-128.5	-177.1	0	0	116.2	K510	E508-K510 PolarHBondContact OE2-N 2.99Å
509	P	44.3	Very low	42	Very low	126 Å²	126	126.4 Å²	126.4	82%	0.818	76%	0.761	S	S	*	*				-145.7	142.4	82.4	36.9	-16.9	0	0	0	119.5
510	K	32.9	Very low	43.1	Very low	188 Å²	188	125.8 Å²	125.8	82%	0.817	76%	0.756	S	S	*	*			trans	90.9	101.6	136.8	-105.3	-174.4	174.9	175.9	0	122.2	E508	E508-K510 PolarHBondContact OE2-N 2.99Å
511	A	35.1	Very low	44.5	Very low	81 Å²	81	123.2 Å²	123.2	67%	0.669	74%	0.737	S	S	*	*				95	102.2	121.9	0	0	0	0	0	121.9
512	K	35.1	Very low	45.6	Very low	203 Å²	203	126.5 Å²	126.5	88%	0.883	74%	0.736	S	S	*	*				166.8	102.6	108.6	-91.3	176.5	178.8	175.2	0	113.5
513	S	33.4	Very low	47.8	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	72%	0.715	S	S	*	*			trans	36	115.2	142.4	62.7	0	0	0	0	125.5
514	T	36.6	Very low	49.2	Very low	132 Å²	132	121.5 Å²	121.5	81%	0.81	71%	0.705	S	S	*	*			trans	89.1	146.9	130.4	-39.7	0	0	0	0	120.8
515	P	43.9	Very low	50.8	Low	109 Å²	109	118.5 Å²	118.5	71%	0.708	68%	0.681	S	S	*	*			cis	-126.5	174.5	-42.2	38.1	-21.7	0	0	0	114.9
516	H	39.4	Very low	52.4	Low	141 Å²	141	117.4 Å²	117.4	65%	0.653	67%	0.67	S	S	*	*			trans	89.2	76.6	157	-107	-59.5	0	0	0	120.5	K518	H516-K518 PolarHBondContact O-N 3.32Å
517	G	42.9	Very low	53.1	Low	77 Å²	77	123 Å²	123	79%	0.794	68%	0.675	S	S	*	*			trans	-78.9	98.9	153.5	0	0	0	0	0	110.7	K519	G517-K519 PolarHBondContact O-N 3.16Å
518	K	63.5	Low	54.8	Low	120 Å²	120	118.6 Å²	118.6	52%	0.522	66%	0.659	S	S	.	*			trans	-81.2	107.7	170.9	-66	-176	-179.9	-174.9	0	108.7	H516 Q520	H516-K518 PolarHBondContact O-N 3.32Å; K518-Q520 PolarHBondContact O-N 3.06Å
519	K	65.1	Low	56.5	Low	166 Å²	166	118.4 Å²	118.4	72%	0.722	66%	0.656	S	S	*	*			trans	-65.3	130.2	170.8	-63.3	180	-178.3	178.2	0	107.3	G517 V535	G517-K519 PolarHBondContact O-N 3.16Å; K519-V535 HydrophobicContact CB-CB 4.02Å; K519-V535 HydrophobicContact CB-CG2 3.71Å; K519-V535 VanDerWaalsContact O-CB 3.25Å; K519-V535 WeakPolarHBondContact O-CB 3.26Å; K519-V535 WeakPolarHBondContact O-CG2 3.4Å; K519-V535 PolarHBondContact O-N 2.68Å
520	Q	73.4	Confident	58.5	Low	93 Å²	93	119.8 Å²	119.8	44%	0.435	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	135.2	-179.4	-74.4	146.3	-10.1	0	0	108.4	K518 K532 I533	K518-Q520 PolarHBondContact O-N 3.06Å; Q520-K532 HydrophobicContact CB-CG 4Å; Q520-K532 HydrophobicContact CG-CG 4.36Å; Q520-I533 CarbonylContact C-O 3.48Å; Q520-I533 VanDerWaalsContact CA-O 3.23Å; Q520-I533 WeakPolarHBondContact CA-O 3.46Å
521	K	77.5	Confident	60.5	Low	113 Å²	113	116.3 Å²	116.3	49%	0.491	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.7	143.3	175.6	-76.5	175.6	-178.1	-177.5	0	108.7	I533 V535	K521-I533 PolarHBondContact N-O 3.29Å; K521-I533 PolarHBondContact O-N 3.25Å; K521-V535 HydrophobicContact CB-CG2 4.39Å; K521-V535 HydrophobicContact CD-CG2 3.83Å; K521-V535 HydrophobicContact CG-CG2 3.62Å
522	F	77.3	Confident	62.9	Low	127 Å²	127	118.1 Å²	118.1	56%	0.557	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.4	123.4	174.8	-69	-90.2	0	0	0	108.4	Y530 E531 K532	F522-Y530 HydrophobicContact CB-CD1 4.08Å; F522-E531 VanDerWaalsContact CA-O 3.31Å; F522-E531 WeakPolarHBondContact CA-O 3.38Å; F522-K532 HydrophobicContact CD1-CB 4.03Å; F522-K532 HydrophobicContact CD1-CG 4.34Å; F522-K532 HydrophobicContact CE1-CB 3.65Å; F522-K532 HydrophobicContact CE1-CD 4.05Å; F522-K532 HydrophobicContact CE1-CG 3.75Å; F522-K532 HydrophobicContact CE2-CG 4.44Å; F522-K532 HydrophobicContact CZ-CB 4.24Å; F522-K532 HydrophobicContact CZ-CD 3.87Å; F522-K532 HydrophobicContact CZ-CG 3.81Å
523	I	81.6	Confident	64.7	Low	87 Å²	87	110.9 Å²	110.9	45%	0.446	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	137.7	174.3	-54.1	-168.5	0	0	0	107.9	T525 Y530 E531 I533	I523-T525 PolarHBondContact O-N 3.06Å; I523-Y530 WeakPolarHBondContact O-CA 3.04Å; I523-E531 PolarHBondContact N-O 2.99Å; I523-E531 PolarHBondContact O-N 3.31Å; I523-I533 HydrophobicContact CB-CD1 4.07Å; I523-I533 HydrophobicContact CD1-CD1 3.45Å; I523-I533 VanDerWaalsContact CD1-CD1 3.45Å; I523-I533 HydrophobicContact CG1-CD1 3.7Å; I523-I533 HydrophobicContact CG1-CG1 4.38Å
524	V	75.7	Confident	66.5	Low	83 Å²	83	107.8 Å²	107.8	50%	0.503	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.2	109.8	174.3	175.4	0	0	0	0	108.2	Y530	V524-Y530 HydrophobicContact CB-CE1 4.46Å; V524-Y530 HydrophobicContact CG2-CD1 3.79Å; V524-Y530 HydrophobicContact CG2-CE1 3.21Å
525	T	71.6	Confident	67.7	Low	67 Å²	67	103.5 Å²	103.5	41%	0.411	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.1	161	11.2	0	0	0	0	105.9	I523 K529	I523-T525 PolarHBondContact O-N 3.06Å; T525-K529 PolarHBondContact N-O 3.17Å; T525-K529 VanDerWaalsContact N-O 3.12Å; T525-K529 PolarHBondContact O-N 3.09Å
526	G	67.6	Low	68.7	Low	60 Å²	60	104 Å²	104	62%	0.619	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	156.6	-164.9	0	0	0	0	0	117
527	H	45.8	Very low	69.5	Low	196 Å²	196	103 Å²	103	91%	0.907	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	30.7	-168.8	-52.2	-50.5	0	0	0	116	K529	H527-K529 PolarHBondContact O-N 3.16Å
528	G	71.4	Confident	70.2	Confident	61 Å²	61	101.9 Å²	101.9	63%	0.629	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	17	174.1	0	0	0	0	0	114.1
529	K	71.8	Confident	69.6	Low	153 Å²	153	98.4 Å²	98.4	67%	0.665	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.5	174.7	-61.1	-83.5	-178	171.3	0	108.7	T525 H527	T525-K529 PolarHBondContact N-O 3.17Å; T525-K529 VanDerWaalsContact N-O 3.12Å; T525-K529 PolarHBondContact O-N 3.09Å; H527-K529 PolarHBondContact O-N 3.16Å
530	Y	86.8	Confident	68.9	Low	155 Å²	155	97.2 Å²	97.2	61%	0.608	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	127.6	177.9	-70	-94.7	0	0	0	109.2	F522 I523 V524	F522-Y530 HydrophobicContact CB-CD1 4.08Å; I523-Y530 WeakPolarHBondContact O-CA 3.04Å; V524-Y530 HydrophobicContact CB-CE1 4.46Å; V524-Y530 HydrophobicContact CG2-CD1 3.79Å; V524-Y530 HydrophobicContact CG2-CE1 3.21Å
531	E	75.1	Confident	67.7	Low	115 Å²	115	99.2 Å²	99.2	54%	0.537	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.9	175.3	-166.7	167.8	-173.1	0	0	110.2	F522 I523	F522-E531 VanDerWaalsContact CA-O 3.31Å; F522-E531 WeakPolarHBondContact CA-O 3.38Å; I523-E531 PolarHBondContact N-O 2.99Å; I523-E531 PolarHBondContact O-N 3.31Å
532	K	84.9	Confident	66.1	Low	118 Å²	118	98.5 Å²	98.5	51%	0.513	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.7	-172.5	-171.5	-178.5	-173.4	-164.2	0	109.8	Q520 F522	Q520-K532 HydrophobicContact CB-CG 4Å; Q520-K532 HydrophobicContact CG-CG 4.36Å; F522-K532 HydrophobicContact CD1-CB 4.03Å; F522-K532 HydrophobicContact CD1-CG 4.34Å; F522-K532 HydrophobicContact CE1-CB 3.65Å; F522-K532 HydrophobicContact CE1-CD 4.05Å; F522-K532 HydrophobicContact CE1-CG 3.75Å; F522-K532 HydrophobicContact CE2-CG 4.44Å; F522-K532 HydrophobicContact CZ-CB 4.24Å; F522-K532 HydrophobicContact CZ-CD 3.87Å; F522-K532 HydrophobicContact CZ-CG 3.81Å
533	I	74.1	Confident	64.6	Low	51 Å²	51	100.9 Å²	100.9	26%	0.262	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.3	140.3	-175.4	-33.8	-177.1	0	0	0	109.5	Q520 K521 I523 E537	Q520-I533 CarbonylContact C-O 3.48Å; Q520-I533 VanDerWaalsContact CA-O 3.23Å; Q520-I533 WeakPolarHBondContact CA-O 3.46Å; K521-I533 PolarHBondContact N-O 3.29Å; K521-I533 PolarHBondContact O-N 3.25Å; I523-I533 HydrophobicContact CB-CD1 4.07Å; I523-I533 HydrophobicContact CD1-CD1 3.45Å; I523-I533 VanDerWaalsContact CD1-CD1 3.45Å; I523-I533 HydrophobicContact CG1-CD1 3.7Å; I523-I533 HydrophobicContact CG1-CG1 4.38Å; I533-E537 HydrophobicContact CG2-CB 4.28Å
534	S	70.4	Confident	62.8	Low	40 Å²	40	101.2 Å²	101.2	28%	0.28	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.6	137.2	171.8	13.5	0	0	0	0	110.9	D536 E537	S534-D536 PolarHBondContact O-N 3.47Å; S534-D536 VanDerWaalsContact O-N 3.16Å; S534-E537 PolarHBondContact O-N 3.4Å; S534-E537 VanDerWaalsContact O-N 3.07Å
535	V	62.5	Low	61.2	Low	42 Å²	42	101.7 Å²	101.7	26%	0.255	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-60.9	-25.5	-179.4	166.7	0	0	0	0	112.9	K519 K521 E537 C538	K519-V535 HydrophobicContact CB-CB 4.02Å; K519-V535 HydrophobicContact CB-CG2 3.71Å; K519-V535 VanDerWaalsContact O-CB 3.25Å; K519-V535 WeakPolarHBondContact O-CB 3.26Å; K519-V535 WeakPolarHBondContact O-CG2 3.4Å; K519-V535 PolarHBondContact O-N 2.68Å; K521-V535 HydrophobicContact CB-CG2 4.39Å; K521-V535 HydrophobicContact CD-CG2 3.83Å; K521-V535 HydrophobicContact CG-CG2 3.62Å; V535-E537 VanDerWaalsContact C-N 3.27Å; V535-E537 PolarHBondContact O-N 3.28Å; V535-C538 WeakPolarHBondContact O-CB 3.42Å; V535-C538 PolarHBondContact O-N 3.47Å; V535-C538 VanDerWaalsContact O-N 3.15Å
536	D	63.8	Low	59.5	Low	118 Å²	118	101.4 Å²	101.4	63%	0.631	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-67.4	-24	177.1	-61.9	-31.8	0	0	0	112.9	S534	S534-D536 PolarHBondContact O-N 3.47Å; S534-D536 VanDerWaalsContact O-N 3.16Å
537	E	57.7	Low	58.1	Low	120 Å²	120	106.6 Å²	106.6	56%	0.561	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-84.3	-14.2	173.8	-95.8	178.2	144.6	0	0	113.3	I533 S534 V535 G539	I533-E537 HydrophobicContact CG2-CB 4.28Å; S534-E537 PolarHBondContact O-N 3.4Å; S534-E537 VanDerWaalsContact O-N 3.07Å; V535-E537 VanDerWaalsContact C-N 3.27Å; V535-E537 PolarHBondContact O-N 3.28Å; E537-G539 VanDerWaalsContact C-N 3.34Å
538	C	56.9	Low	57.5	Low	55 Å²	55	103.1 Å²	103.1	37%	0.372	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	-16.9	-177.3	-167.2	0	0	0	0	112.6	V535	V535-C538 WeakPolarHBondContact O-CB 3.42Å; V535-C538 PolarHBondContact O-N 3.47Å; V535-C538 VanDerWaalsContact O-N 3.15Å
539	G	50	Low	56	Low	47 Å²	47	111.5 Å²	111.5	49%	0.485	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-33.6	179.3	0	0	0	0	0	113.9	E537	E537-G539 VanDerWaalsContact C-N 3.34Å
540	D	50.3	Low	54.5	Low	140 Å²	140	109 Å²	109	75%	0.749	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-14.4	-175.5	-83	-14.9	0	0	0	114
541	L	47.9	Very low	52.1	Low	135 Å²	135	108.7 Å²	108.7	71%	0.707	62%	0.622	S	S	*	*	S	Bend	trans	-90.5	-6.8	175.2	-86	145.3	0	0	0	113.8
542	S	44.4	Very low	50.3	Low	98 Å²	98	113.2 Å²	113.2	69%	0.685	66%	0.664	S	S	*	*	S	Bend	trans	-89.7	-2.7	178.8	-177.2	0	0	0	0	113.9
543	Q	46.4	Very low	48.6	Very low	177 Å²	177	113 Å²	113	83%	0.827	67%	0.672	S	S	*	*	S	Bend	trans	-104.1	-0.1	178.1	-71.9	-172.6	17.4	0	0	114.6
544	S	43.6	Very low	47.2	Very low	94 Å²	94	116.3 Å²	116.3	66%	0.657	69%	0.693	S	S	*	*	S	Bend	trans	-113.4	7.1	-176.5	63.8	0	0	0	0	116.3
545	A	42.5	Very low	45.9	Very low	94 Å²	94	120.5 Å²	120.5	78%	0.777	72%	0.716	S	S	*	*			trans	-140.2	48.8	173.2	0	0	0	0	0	112.4
546	G	34.7	Very low	44.9	Very low	60 Å²	60	125.1 Å²	125.1	62%	0.619	74%	0.744	S	S	*	*			trans	-79.7	144.4	143.8	0	0	0	0	0	108.4
547	L	39.3	Very low	43.8	Very low	169 Å²	169	125.6 Å²	125.6	89%	0.885	75%	0.751	S	S	*	*			trans	97.1	87.8	178.5	-52.4	169.1	0	0	0	114.6
548	C	33.5	Very low	42.8	Very low	124 Å²	124	125.9 Å²	125.9	84%	0.838	76%	0.763	S	S	*	*				173.8	102.5	99.6	-84.3	0	0	0	0	109.8
549	Y	40.1	Very low	41.8	Very low	236 Å²	236	131 Å²	131	93%	0.925	79%	0.791	S	S	*	*			trans	-74.6	122.9	142.3	-119.2	-97.1	0	0	0	105.7
550	S	39.2	Very low	41.2	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	82%	0.815	S	S	*	*			trans	174.3	124.5	150.4	-91.6	0	0	0	0	110.2
551	D	35.9	Very low	40.4	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	82%	0.82	S	S	*	*			trans	58.4	99.2	150.9	-54.5	-24.7	0	0	0	120
552	C	37.9	Very low	39.8	Very low	211 Å²	211	137.5 Å²	137.5	100%	1.426	83%	0.831	S	S	*	*				-173.8	0	115.1	-87.9	0	0	0	0	110.2

Retrieved 552 of 552 residues in 663.4 ms (Link to these results)

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